A0A087XBX6_POEFO Loading...

Cell division cycle and apoptosis regulator protein 1

AlphaFold DB , UniProt , Accession A0A087XBX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,248 aa.

						>A0A087XBX6_POEFO|A0A087XBX6
MAQFGGQKNPPWATQFAATAVSQPGHSGQSLDLNSLHSLGVQQPSLLGASPSVYSQQSALAAASLSNQSAANYQLSQQTAALQQQAAAAAAAALQQSQINSALQQYQQQQQQQQQQQQQQQPPQQPPQQLYNVPHQLPQPQQALISQPPVALPTSLSLSNPQQTAQITVSYPTPRSSHQQQTQPQKQRVFTGVVNKLHDTFGFVDEDVFFQLSAVKGKTPQVGDRVLVEAVYNPNMPFKWNAQRIQTLPQLANQSLQQQPQPLPQASPQLGSLYNEPGMQLRYTDMHSAADNRQNSQAQASNMIKSAPTMLQSLPPPTTFSVQAQAPPPSLLQAQLSAASLAPLLQNPPQPLLPQPPTKDVFAGGLLQPPVRIMPQPQALRRIEPPTRFTTRNDRGPELILRTKEERSRDRDRERRRSRERSPTRKRSRDRSPRRERSPRRPRRVLPRYTVQFSKFSLDGSSCDLMELRRRYQSLYIPSDFFNAVFTWVDAFPLTRPFQFSNACNFHILHKEVDPPVKNTSVLDPPDVNHTYSAKVMLLANPSLEELYHKSCALAEDPQEVRDSFQHPARLIKFLVGMRGKDEAMAIGGHWSPSLDGADPEKDPSVLIKTAIRCCRALTGIDLSLCTQWYRFAEIRYHRPEETHKGRTVPAHVETVVLFLPDVWHCLPTRSEWEVLSRRLREQLAEKLSAERKEADGEQEEEEKDDEESKDVSIATHWTKLDPKSMKVNDLRRELDCRSLSSKGLKSQLIARLTKQLKVEEQVEESKEPEKPEVKVAEEEEPPRTEDDKEDDEKKKQEELERQRRERRYILPDEPTILVYPNWAAKNGKFDCSVMSLSVLLDYRLEDNKEHSFEVSLFAELFNEMLQRDFGYRIYKALASLPARDEKKEKKLKRDADKKDAEKREIKKEKEEEIEEPVAKRNKDDEEEKRKYDDKTIKKEESRDEDENEDEGSTANAEEYDPLEAEDAEDDDDDDDDKDDEDSNDRDRRDRRDDRRSSKDRSSKDKEKKQMVTQNRDLLMAFVYFDQSHCGYLLERDLEDILYTLGLHLSRAQIKKLLNKPVVRESCYYRKLTDRGKDEAAASLNEAHIENLTGNRALLPSPKAHASSEASESGNLIVYNGAMVDVGSMMQKLEKSEKAREEIEQKLITQDAKMEEDAKLKAQLELANKSLSKELEEVTSALSRTEETLRAVKEKKTVYYELMSNSANSLMTTVNGLLDVLKKDQGGDSGEKAASDSIQTSQTNGADE
					

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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	31.6	Very low	33.2	Very low	240 Å²	240	148.5 Å²	148.5	100%	1.182	85%	0.849	S	S	*	*				0	109.8	0	-67.5	164.2	174.9	0	0	105.7
2	A	31.8	Very low	32.8	Very low	93 Å²	93	157.1 Å²	157.1	77%	0.769	86%	0.858	S	S	*	*				95.4	136.6	57.7	0	0	0	0	0	110.8
3	Q	33	Very low	32.4	Very low	155 Å²	155	151.6 Å²	151.6	72%	0.724	85%	0.847	S	S	*	*			cis	-168.6	149.7	-16.1	-155.3	176.3	-7.1	0	0	109.3
4	F	36.7	Very low	32.3	Very low	195 Å²	195	150.1 Å²	150.1	86%	0.855	84%	0.843	S	S	*	*			trans	60.9	157.5	176.4	-63.2	-77.6	0	0	0	116.6
5	G	29.7	Very low	32.5	Very low	76 Å²	76	151.6 Å²	151.6	78%	0.784	84%	0.841	S	S	*	*			cis	160.6	148.5	-10.3	0	0	0	0	0	112.5
6	G	28.1	Very low	32.2	Very low	84 Å²	84	155.6 Å²	155.6	87%	0.866	85%	0.847	S	S	*	*			trans	146.8	104.6	170.9	0	0	0	0	0	115.7
7	Q	31.2	Very low	31.9	Very low	195 Å²	195	151.8 Å²	151.8	91%	0.911	84%	0.842	S	S	*	*			trans	-86.7	152.4	168.8	-63.6	170.7	-64.4	0	0	111.4
8	K	31.3	Very low	32	Very low	201 Å²	201	148.8 Å²	148.8	87%	0.874	84%	0.84	S	S	*	*			trans	-147.8	110.8	148.9	-72.6	-163.4	178.8	-177.1	0	111.6
9	N	34.4	Very low	31.7	Very low	162 Å²	162	148.7 Å²	148.7	87%	0.866	84%	0.844	S	S	*	*			trans	-91.1	152.6	151	-83.8	12.7	0	0	0	108.9
10	P	37.5	Very low	31.5	Very low	120 Å²	120	146.1 Å²	146.1	78%	0.779	84%	0.841	S	S	*	*			trans	-124.3	171	136.9	7.4	14.7	0	0	0	112.1
11	P	39.8	Very low	31.2	Very low	113 Å²	113	145.6 Å²	145.6	73%	0.734	84%	0.84	S	S	*	*			trans	-129.4	-178.7	-152.5	43.7	-30.4	0	0	0	115.3
12	W	28.7	Very low	31	Very low	251 Å²	251	139.8 Å²	139.8	95%	0.951	82%	0.823	S	S	*	*				-148.3	101	125.5	56	-85.3	0	0	0	111.4
13	A	27.7	Very low	30.7	Very low	86 Å²	86	144.1 Å²	144.1	71%	0.711	83%	0.827	S	S	*	*			trans	-158.2	116.1	167.5	0	0	0	0	0	109.4
14	T	31.1	Very low	31.2	Very low	130 Å²	130	142.4 Å²	142.4	80%	0.798	83%	0.829	S	S	*	*			trans	-147.9	100.5	179.2	-12.4	0	0	0	0	106
15	Q	34.6	Very low	30.6	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	82%	0.823	S	S	*	*				56.5	123.2	72.6	-67.2	-161.4	-15.2	0	0	114.9
16	F	27.5	Very low	30.5	Very low	215 Å²	215	141.8 Å²	141.8	94%	0.943	83%	0.827	S	S	*	*			trans	-143.6	154.6	130.4	-102.3	-72.8	0	0	0	109.5
17	A	26.8	Very low	30.6	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	83%	0.828	S	S	*	*			trans	-147.9	152.9	-173.2	0	0	0	0	0	113.7
18	A	34.8	Very low	30.4	Very low	99 Å²	99	137.8 Å²	137.8	82%	0.818	82%	0.819	S	S	*	*			trans	5.8	137.5	162.3	0	0	0	0	0	122.5
19	T	25.4	Very low	30.2	Very low	147 Å²	147	137.2 Å²	137.2	90%	0.902	82%	0.819	S	S	*	*			trans	-144.8	154.9	142.1	-55.6	0	0	0	0	108.6
20	A	28.3	Very low	29.9	Very low	95 Å²	95	134.1 Å²	134.1	79%	0.785	81%	0.81	S	S	*	*			trans	-128.8	151.6	-174.4	0	0	0	0	0	113.9
21	V	25.9	Very low	29.5	Very low	137 Å²	137	136.3 Å²	136.3	83%	0.83	81%	0.814	S	S	*	*			trans	-147.1	131.2	175.7	-180	0	0	0	0	112.4
22	S	26.3	Very low	28.8	Very low	117 Å²	117	138 Å²	138	82%	0.818	82%	0.817	S	S	*	*			trans	33.1	140.9	155	-53.7	0	0	0	0	125.8
23	Q	26.5	Very low	28.8	Very low	185 Å²	185	134.5 Å²	134.5	86%	0.864	82%	0.816	S	S	*	*			trans	-79.4	-176	159.6	-92.5	-164	19.8	0	0	112.7
24	P	42.4	Very low	28.7	Very low	118 Å²	118	137.8 Å²	137.8	77%	0.766	82%	0.822	S	S	*	*			cis	-134.5	-178	9.2	42.5	-25.4	0	0	0	116.6
25	G	25	Very low	28.6	Very low	70 Å²	70	137 Å²	137	72%	0.722	82%	0.821	S	S	*	*			trans	175.6	52.5	172.5	0	0	0	0	0	122.3
26	H	27.1	Very low	28.3	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.875	83%	0.827	S	S	*	*			trans	43.6	146.2	155.1	-73.9	-72.6	0	0	0	125.4
27	S	29.3	Very low	28.4	Very low	126 Å²	126	135 Å²	135	88%	0.881	82%	0.82	S	S	*	*			trans	73.3	135.7	164.4	73.1	0	0	0	0	118.1
28	G	27.6	Very low	28.4	Very low	69 Å²	69	135.5 Å²	135.5	71%	0.711	82%	0.818	S	S	*	*			cis	170.4	147.9	-12.6	0	0	0	0	0	113.7
29	Q	28.2	Very low	28.1	Very low	188 Å²	188	139.6 Å²	139.6	88%	0.879	82%	0.824	S	S	*	*			trans	58	111.8	168.1	-64.3	173.8	-5.1	0	0	116.5
30	S	26.5	Very low	28.1	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	82%	0.816	S	S	*	*				67.3	110.4	63.6	77.9	0	0	0	0	115.4
31	L	29	Very low	28.2	Very low	167 Å²	167	138.1 Å²	138.1	87%	0.874	82%	0.819	S	S	*	*				177.6	148.6	113.2	-95	167.9	0	0	0	112.3
32	D	27.1	Very low	28.1	Very low	148 Å²	148	140.2 Å²	140.2	79%	0.791	82%	0.82	S	S	*	*			trans	-73.4	151.6	162.2	-59.1	-78.1	0	0	0	111
33	L	27.3	Very low	28.6	Very low	177 Å²	177	142.9 Å²	142.9	93%	0.927	82%	0.82	S	S	*	*			trans	-139.7	125.2	153.7	-82.7	-177.5	0	0	0	111.4
34	N	27	Very low	28.9	Very low	156 Å²	156	139.7 Å²	139.7	83%	0.834	82%	0.815	S	S	*	*			trans	-109.3	156.7	165.9	-116.4	-37.8	0	0	0	108.9
35	S	27.6	Very low	28.4	Very low	113 Å²	113	139.1 Å²	139.1	79%	0.79	81%	0.813	S	S	*	*			trans	63.4	115.3	168.2	-58.1	0	0	0	0	119.1
36	L	28.2	Very low	28.6	Very low	178 Å²	178	143.7 Å²	143.7	93%	0.932	82%	0.82	S	S	*	*				-157.8	167.7	125.6	-112.2	169.5	0	0	0	111.5
37	H	29.4	Very low	28.6	Very low	169 Å²	169	142.7 Å²	142.7	78%	0.782	82%	0.821	S	S	*	*			trans	-105.4	154.1	-163.8	-98.8	-146.5	0	0	0	115
38	S	28	Very low	28.4	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	82%	0.816	S	S	*	*			trans	42.2	96	139.7	-53.8	0	0	0	0	120.7
39	L	27.6	Very low	28.2	Very low	184 Å²	184	141.9 Å²	141.9	96%	0.963	82%	0.823	S	S	*	*			trans	-136.6	158.5	135.7	-70	178.7	0	0	0	106.3
40	G	26.3	Very low	28.4	Very low	70 Å²	70	138.7 Å²	138.7	72%	0.722	82%	0.821	S	S	*	*			cis	141.4	111.2	10.6	0	0	0	0	0	106.7
41	V	29.1	Very low	28.8	Very low	141 Å²	141	139.4 Å²	139.4	86%	0.855	82%	0.823	S	S	*	*			trans	-74.3	127.8	-165.6	176.9	0	0	0	0	112.1
42	Q	25.7	Very low	28.8	Very low	182 Å²	182	136.8 Å²	136.8	85%	0.85	82%	0.819	S	S	*	*			trans	-172.1	138.1	134.3	-105.6	164	27	0	0	113.7
43	Q	35.7	Very low	28.8	Very low	173 Å²	173	135.7 Å²	135.7	81%	0.808	82%	0.818	S	S	*	*			trans	-83.4	145.5	156.8	-84.4	-103.6	1.6	0	0	109.1
44	P	33.3	Very low	28.8	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	81%	0.812	S	S	*	*			trans	-138.8	139.2	135.5	35.8	-23.5	0	0	0	113.8
45	S	31.8	Very low	28.9	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	81%	0.806	S	S	*	*			trans	-69.4	146.6	164.2	-47	0	0	0	0	111.3
46	L	28.2	Very low	28.9	Very low	166 Å²	166	137.1 Å²	137.1	87%	0.869	81%	0.806	S	S	*	*			trans	-171.4	164.4	134.6	-105.9	165.7	0	0	0	114.4
47	L	28.1	Very low	29.1	Very low	168 Å²	168	136.7 Å²	136.7	88%	0.88	80%	0.799	S	S	*	*			trans	-57	155.9	-176.3	-70.3	150.8	0	0	0	115.6
48	G	23.9	Very low	29.1	Very low	76 Å²	76	133.5 Å²	133.5	78%	0.784	80%	0.796	S	S	*	*			trans	-169.2	57	177.9	0	0	0	0	0	118.6
49	A	25.1	Very low	29.1	Very low	103 Å²	103	132.7 Å²	132.7	85%	0.851	80%	0.795	S	S	*	*			trans	37.9	131.5	153.1	0	0	0	0	0	123.1
50	S	31.6	Very low	29.2	Very low	121 Å²	121	132.4 Å²	132.4	85%	0.846	79%	0.794	S	S	*	*			trans	-106.2	146.1	153.4	-57.9	0	0	0	0	110.9
51	P	35.7	Very low	29.1	Very low	111 Å²	111	133.8 Å²	133.8	72%	0.721	80%	0.799	S	S	*	*			trans	-120.2	122.4	164.2	34.1	-21.5	0	0	0	113.8
52	S	27.2	Very low	29.1	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	80%	0.796	S	S	*	*				54	148.6	125	-35.7	0	0	0	0	120.6
53	V	28.8	Very low	29.2	Very low	125 Å²	125	128.3 Å²	128.3	76%	0.758	80%	0.799	S	S	*	*			cis	-157	166	24.6	-85.5	0	0	0	0	111.8
54	Y	27	Very low	29.1	Very low	207 Å²	207	125 Å²	125	81%	0.812	80%	0.795	S	S	*	*				132.7	95.8	123.8	-130.2	-93.1	0	0	0	119.3
55	S	29.3	Very low	29.1	Very low	102 Å²	102	127.2 Å²	127.2	71%	0.713	80%	0.8	S	S	*	*			trans	61.3	167	146.5	75.9	0	0	0	0	123
56	Q	28.1	Very low	29.2	Very low	167 Å²	167	126.5 Å²	126.5	78%	0.78	79%	0.794	S	S	*	*				-167.7	171.7	-64.6	-130	-157.1	44.1	0	0	110.9
57	Q	30.8	Very low	29.7	Very low	168 Å²	168	123.8 Å²	123.8	79%	0.785	78%	0.781	S	S	*	*			trans	72.1	144.1	169.7	-70.1	177.8	25.2	0	0	117
58	S	29.6	Very low	30.1	Very low	102 Å²	102	122.1 Å²	122.1	71%	0.713	77%	0.769	S	S	*	*			cis	-150.6	155.6	10.1	-126.2	0	0	0	0	115.3
59	A	29.1	Very low	31	Very low	84 Å²	84	122.6 Å²	122.6	69%	0.694	76%	0.76	S	S	*	*			trans	42.4	118.1	158.3	0	0	0	0	0	120.6
60	L	28	Very low	31.7	Very low	178 Å²	178	120.2 Å²	120.2	93%	0.932	74%	0.741	S	S	*	*				80.3	101.9	58.4	-74.4	167.1	0	0	0	115.9
61	A	25.8	Very low	32.1	Very low	100 Å²	100	117.5 Å²	117.5	83%	0.826	73%	0.725	S	S	*	*			trans	-155.4	147	153.3	0	0	0	0	0	111.8
62	A	27.6	Very low	32.4	Very low	97 Å²	97	116.3 Å²	116.3	80%	0.802	71%	0.713	S	S	*	*			trans	48.7	78.4	160	0	0	0	0	0	119.6
63	A	28.2	Very low	33.4	Very low	110 Å²	110	119 Å²	119	91%	0.909	71%	0.707	S	S	*	*			trans	-103.2	83.1	157.6	0	0	0	0	0	110.5
64	S	33.2	Very low	34.4	Very low	105 Å²	105	120.5 Å²	120.5	73%	0.734	71%	0.706	S	S	*	*			trans	-152.5	61.7	179.1	66.8	0	0	0	0	113.4
65	L	34.8	Very low	35.5	Very low	163 Å²	163	115.3 Å²	115.3	85%	0.853	69%	0.691	S	S	*	*			trans	-148	124.3	161.9	-117.6	160.2	0	0	0	110.1
66	S	33.4	Very low	36.6	Very low	90 Å²	90	113.9 Å²	113.9	63%	0.629	68%	0.682	S	S	*	*			trans	-92.1	154.6	-172	51.4	0	0	0	0	112.3	Q68	S66-Q68 PolarHBondContact O-N 2.98Å
67	N	39.4	Very low	38	Very low	110 Å²	110	111.9 Å²	111.9	59%	0.588	67%	0.672	S	S	*	*	S	Bend	trans	32.3	-13	141.1	-123.9	4.7	0	0	0	124	S69	N67-S69 PolarHBondContact O-N 3.07Å
68	Q	35.2	Very low	39.2	Very low	132 Å²	132	110.5 Å²	110.5	62%	0.617	67%	0.666	S	S	*	*	H	α-helix	trans	-61.3	-28.5	167.8	-75.2	-169	7.8	0	0	111.5	S66 A70 A71 N72	S66-Q68 PolarHBondContact O-N 2.98Å; Q68-A70 VanDerWaalsContact C-N 3.31Å; Q68-A70 PolarHBondContact O-N 3.3Å; Q68-A71 PolarHBondContact O-N 2.86Å; Q68-N72 VanDerWaalsContact O-CB 3.23Å; Q68-N72 WeakPolarHBondContact O-CB 3.33Å; Q68-N72 PolarHBondContact O-N 2.75Å
69	S	42.4	Very low	40.5	Very low	86 Å²	86	109 Å²	109	60%	0.601	65%	0.652	S	S	*	*	H	α-helix	trans	-56.7	-39.4	-177.7	54	0	0	0	0	113.1	N67 Y73	N67-S69 PolarHBondContact O-N 3.07Å; S69-Y73 WeakPolarHBondContact O-CA 3.21Å; S69-Y73 VanDerWaalsContact O-CB 3.24Å; S69-Y73 WeakPolarHBondContact O-CB 3.47Å; S69-Y73 PolarHBondContact O-N 3.33Å
70	A	39.6	Very low	41.9	Very low	54 Å²	54	107.1 Å²	107.1	45%	0.446	64%	0.637	S	S	.	*	H	α-helix	trans	-76.5	-44.3	-178	0	0	0	0	0	113.2	Q68 Y73 Q74	Q68-A70 VanDerWaalsContact C-N 3.31Å; Q68-A70 PolarHBondContact O-N 3.3Å; A70-Y73 WeakPolarHBondContact O-CA 3.45Å; A70-Y73 WeakPolarHBondContact O-CB 3.47Å; A70-Y73 PolarHBondContact O-N 2.98Å; A70-Q74 PolarHBondContact O-N 2.88Å
71	A	40.8	Very low	43.6	Very low	64 Å²	64	101 Å²	101	53%	0.529	61%	0.612	S	S	.	*	H	α-helix	trans	-67	-41.4	175.9	0	0	0	0	0	111.2	Q68 Y73 Q74 L75	Q68-A71 PolarHBondContact O-N 2.86Å; A71-Y73 VanDerWaalsContact C-N 3.29Å; A71-Y73 PolarHBondContact O-N 2.85Å; A71-Q74 PolarHBondContact O-N 2.99Å; A71-L75 VanDerWaalsContact O-CB 3.32Å; A71-L75 WeakPolarHBondContact O-CB 3.44Å; A71-L75 PolarHBondContact O-N 3.13Å
72	N	41.4	Very low	45.4	Very low	85 Å²	85	101.9 Å²	101.9	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-70.2	-20.6	168.7	-74.3	-31.5	0	0	0	112.5	Q68 S76	Q68-N72 VanDerWaalsContact O-CB 3.23Å; Q68-N72 WeakPolarHBondContact O-CB 3.33Å; Q68-N72 PolarHBondContact O-N 2.75Å; N72-S76 WeakPolarHBondContact O-CA 3.31Å; N72-S76 WeakPolarHBondContact O-CB 3.43Å; N72-S76 PolarHBondContact O-N 3.38Å
73	Y	49.5	Very low	47.4	Very low	170 Å²	170	103.7 Å²	103.7	67%	0.667	59%	0.594	S	S	*	*	H	α-helix	trans	-72.1	-44.6	170.6	-133.4	-104.4	0	0	0	111	S69 A70 A71 Q77	S69-Y73 WeakPolarHBondContact O-CA 3.21Å; S69-Y73 VanDerWaalsContact O-CB 3.24Å; S69-Y73 WeakPolarHBondContact O-CB 3.47Å; S69-Y73 PolarHBondContact O-N 3.33Å; A70-Y73 WeakPolarHBondContact O-CA 3.45Å; A70-Y73 WeakPolarHBondContact O-CB 3.47Å; A70-Y73 PolarHBondContact O-N 2.98Å; A71-Y73 VanDerWaalsContact C-N 3.29Å; A71-Y73 PolarHBondContact O-N 2.85Å; Y73-Q77 HydrophobicContact CD1-CG 4.03Å; Y73-Q77 HydrophobicContact CE1-CG 4.35Å; Y73-Q77 WeakPolarHBondContact O-CA 3.43Å; Y73-Q77 WeakPolarHBondContact O-CB 3.46Å; Y73-Q77 WeakPolarHBondContact O-CG 3.5Å; Y73-Q77 PolarHBondContact O-N 2.81Å
74	Q	49.7	Very low	49.2	Very low	157 Å²	157	105.5 Å²	105.5	73%	0.734	58%	0.584	S	S	*	*	H	α-helix	trans	-67.6	-43.2	174.9	-83	-172.9	-36.3	0	0	111.7	A70 A71 Q77 Q78	A70-Q74 PolarHBondContact O-N 2.88Å; A71-Q74 PolarHBondContact O-N 2.99Å; Q74-Q77 PolarHBondContact O-N 2.94Å; Q74-Q78 VanDerWaalsContact O-CB 3.25Å; Q74-Q78 WeakPolarHBondContact O-CB 3.43Å; Q74-Q78 PolarHBondContact O-N 3.43Å
75	L	49	Very low	50.7	Low	97 Å²	97	107 Å²	107	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-69.7	-34.6	176.8	-170.1	61.6	0	0	0	112.2	A71 T79	A71-L75 VanDerWaalsContact O-CB 3.32Å; A71-L75 WeakPolarHBondContact O-CB 3.44Å; A71-L75 PolarHBondContact O-N 3.13Å; L75-T79 WeakPolarHBondContact O-CB 3.23Å; L75-T79 PolarHBondContact O-N 2.93Å; L75-T79 PolarHBondContact O-OG1 2.94Å
76	S	53	Low	52	Low	73 Å²	73	102 Å²	102	51%	0.51	56%	0.561	S	S	.	*	H	α-helix	trans	-77.2	-28.1	173.2	-171.1	0	0	0	0	112.7	N72 A80	N72-S76 WeakPolarHBondContact O-CA 3.31Å; N72-S76 WeakPolarHBondContact O-CB 3.43Å; N72-S76 PolarHBondContact O-N 3.38Å; S76-A80 WeakPolarHBondContact O-CA 3.31Å; S76-A80 WeakPolarHBondContact O-CB 3.24Å; S76-A80 PolarHBondContact O-N 2.88Å
77	Q	57.3	Low	53.4	Low	125 Å²	125	100.3 Å²	100.3	58%	0.584	55%	0.553	S	S	*	*	H	α-helix	trans	-70.3	-39.9	169.1	-77.8	-105.6	73.9	0	0	110.1	Y73 Q74 A81	Y73-Q77 HydrophobicContact CD1-CG 4.03Å; Y73-Q77 HydrophobicContact CE1-CG 4.35Å; Y73-Q77 WeakPolarHBondContact O-CA 3.43Å; Y73-Q77 WeakPolarHBondContact O-CB 3.46Å; Y73-Q77 WeakPolarHBondContact O-CG 3.5Å; Y73-Q77 PolarHBondContact O-N 2.81Å; Q74-Q77 PolarHBondContact O-N 2.94Å; Q77-A81 WeakPolarHBondContact O-CB 3.36Å; Q77-A81 PolarHBondContact O-N 3.44Å
78	Q	56.4	Low	54.6	Low	138 Å²	138	97.9 Å²	97.9	65%	0.645	55%	0.548	S	S	*	.	H	α-helix	trans	-71.9	-37.8	176.6	-165.7	169.6	43.3	0	0	111.8	Q74 L82	Q74-Q78 VanDerWaalsContact O-CB 3.25Å; Q74-Q78 WeakPolarHBondContact O-CB 3.43Å; Q74-Q78 PolarHBondContact O-N 3.43Å; Q78-L82 VanDerWaalsContact O-CB 3.24Å; Q78-L82 WeakPolarHBondContact O-CB 3.3Å; Q78-L82 PolarHBondContact O-N 2.95Å
79	T	56	Low	56	Low	70 Å²	70	94.5 Å²	94.5	43%	0.429	54%	0.542	S	S	.	.	H	α-helix	trans	-71.9	-38.5	173	-57.6	0	0	0	0	111.2	L75 L82 Q83	L75-T79 WeakPolarHBondContact O-CB 3.23Å; L75-T79 PolarHBondContact O-N 2.93Å; L75-T79 PolarHBondContact O-OG1 2.94Å; T79-L82 PolarHBondContact O-N 2.73Å; T79-Q83 WeakPolarHBondContact O-CB 3.33Å; T79-Q83 PolarHBondContact O-N 2.99Å
80	A	59.5	Low	57	Low	46 Å²	46	92.8 Å²	92.8	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-67.4	-39.4	172.9	0	0	0	0	0	111.3	S76 Q83 Q84	S76-A80 WeakPolarHBondContact O-CA 3.31Å; S76-A80 WeakPolarHBondContact O-CB 3.24Å; S76-A80 PolarHBondContact O-N 2.88Å; A80-Q83 CarbonylContact O-C 3.55Å; A80-Q83 PolarHBondContact O-N 2.9Å; A80-Q84 WeakPolarHBondContact O-CA 3.38Å; A80-Q84 WeakPolarHBondContact O-CB 3.37Å; A80-Q84 PolarHBondContact O-N 3.4Å
81	A	62.9	Low	58.3	Low	49 Å²	49	92.8 Å²	92.8	41%	0.405	53%	0.534	S	S	.	.	H	α-helix	trans	-64.9	-40.3	172.8	0	0	0	0	0	111.6	Q77 Q84 Q85	Q77-A81 WeakPolarHBondContact O-CB 3.36Å; Q77-A81 PolarHBondContact O-N 3.44Å; A81-Q84 PolarHBondContact O-N 3.3Å; A81-Q85 WeakPolarHBondContact O-CB 3.47Å; A81-Q85 WeakPolarHBondContact O-CG 3.2Å; A81-Q85 PolarHBondContact O-N 3.02Å
82	L	65	Low	59.7	Low	118 Å²	118	92 Å²	92	62%	0.618	53%	0.527	S	S	*	.	H	α-helix	trans	-70.2	-34.9	175.3	-163.7	73.9	0	0	0	112	Q78 T79 A86	Q78-L82 VanDerWaalsContact O-CB 3.24Å; Q78-L82 WeakPolarHBondContact O-CB 3.3Å; Q78-L82 PolarHBondContact O-N 2.95Å; T79-L82 PolarHBondContact O-N 2.73Å; L82-A86 VanDerWaalsContact O-CB 3.22Å; L82-A86 WeakPolarHBondContact O-CB 3.47Å; L82-A86 PolarHBondContact O-N 3.09Å
83	Q	68.3	Low	60.9	Low	136 Å²	136	90.6 Å²	90.6	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-77	-28.4	176.1	-171.5	170.6	11.3	0	0	111.8	T79 A80 A87	T79-Q83 WeakPolarHBondContact O-CB 3.33Å; T79-Q83 PolarHBondContact O-N 2.99Å; A80-Q83 CarbonylContact O-C 3.55Å; A80-Q83 PolarHBondContact O-N 2.9Å; Q83-A87 WeakPolarHBondContact O-CB 3.32Å; Q83-A87 PolarHBondContact O-N 2.82Å
84	Q	67	Low	61.8	Low	147 Å²	147	87.5 Å²	87.5	69%	0.687	52%	0.522	S	S	*	.	H	α-helix	trans	-79.1	-33.1	172.1	-171	172.7	78.5	0	0	110.9	A80 A81 A88	A80-Q84 WeakPolarHBondContact O-CA 3.38Å; A80-Q84 WeakPolarHBondContact O-CB 3.37Å; A80-Q84 PolarHBondContact O-N 3.4Å; A81-Q84 PolarHBondContact O-N 3.3Å; Q84-A88 WeakPolarHBondContact O-CB 3.25Å; Q84-A88 PolarHBondContact O-N 3.32Å
85	Q	64.3	Low	62.9	Low	138 Å²	138	86 Å²	86	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-67.8	-38.6	164.1	-80.7	-172.1	-22.4	0	0	111.9	A81 A88 A89	A81-Q85 WeakPolarHBondContact O-CB 3.47Å; A81-Q85 WeakPolarHBondContact O-CG 3.2Å; A81-Q85 PolarHBondContact O-N 3.02Å; Q85-A88 PolarHBondContact O-N 2.91Å; Q85-A89 WeakPolarHBondContact O-CB 3.4Å; Q85-A89 PolarHBondContact O-N 3.4Å
86	A	62.5	Low	63.6	Low	56 Å²	56	87.6 Å²	87.6	46%	0.463	52%	0.52	S	S	.	.	H	α-helix	trans	-68.8	-36.4	174.2	0	0	0	0	0	111.6	L82 A89 A90	L82-A86 VanDerWaalsContact O-CB 3.22Å; L82-A86 WeakPolarHBondContact O-CB 3.47Å; L82-A86 PolarHBondContact O-N 3.09Å; A86-A89 PolarHBondContact O-N 3.1Å; A86-A90 WeakPolarHBondContact O-CB 3.34Å; A86-A90 PolarHBondContact O-N 3.39Å
87	A	62.2	Low	64.2	Low	56 Å²	56	87.2 Å²	87.2	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-70.3	-37.8	172.5	0	0	0	0	0	111.8	Q83 A90 A91	Q83-A87 WeakPolarHBondContact O-CB 3.32Å; Q83-A87 PolarHBondContact O-N 2.82Å; A87-A90 PolarHBondContact O-N 2.99Å; A87-A91 WeakPolarHBondContact O-CB 3.07Å; A87-A91 PolarHBondContact O-N 3.36Å
88	A	65.2	Low	64.8	Low	58 Å²	58	87.4 Å²	87.4	48%	0.479	52%	0.518	S	S	.	.	H	α-helix	trans	-69.1	-36.6	172.9	0	0	0	0	0	111.9	Q84 Q85 A92	Q84-A88 WeakPolarHBondContact O-CB 3.25Å; Q84-A88 PolarHBondContact O-N 3.32Å; Q85-A88 PolarHBondContact O-N 2.91Å; A88-A92 WeakPolarHBondContact O-CB 3.19Å; A88-A92 PolarHBondContact O-N 3.06Å
89	A	64.6	Low	65.7	Low	61 Å²	61	85.2 Å²	85.2	50%	0.504	51%	0.509	S	S	.	.	H	α-helix	trans	-70.8	-37.7	173.1	0	0	0	0	0	111.7	Q85 A86 A92 A93	Q85-A89 WeakPolarHBondContact O-CB 3.4Å; Q85-A89 PolarHBondContact O-N 3.4Å; A86-A89 PolarHBondContact O-N 3.1Å; A89-A92 PolarHBondContact O-N 2.96Å; A89-A93 WeakPolarHBondContact O-CB 3.38Å; A89-A93 PolarHBondContact O-N 3.37Å
90	A	63.5	Low	66.4	Low	51 Å²	51	86.5 Å²	86.5	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-68.9	-37.5	172.6	0	0	0	0	0	111.7	A86 A87 A93 L94	A86-A90 WeakPolarHBondContact O-CB 3.34Å; A86-A90 PolarHBondContact O-N 3.39Å; A87-A90 PolarHBondContact O-N 2.99Å; A90-A93 PolarHBondContact O-N 3.09Å; A90-L94 VanDerWaalsContact O-CB 3.31Å; A90-L94 WeakPolarHBondContact O-CB 3.32Å; A90-L94 PolarHBondContact O-N 2.93Å
91	A	67.2	Low	66.8	Low	54 Å²	54	87 Å²	87	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-68	-41.5	172.6	0	0	0	0	0	111.3	A87 A93 L94 Q95	A87-A91 WeakPolarHBondContact O-CB 3.07Å; A87-A91 PolarHBondContact O-N 3.36Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A91-L94 CarbonylContact O-C 3.46Å; A91-L94 PolarHBondContact O-N 2.94Å; A91-Q95 VanDerWaalsContact O-CB 3.24Å; A91-Q95 WeakPolarHBondContact O-CB 3.44Å; A91-Q95 PolarHBondContact O-N 3.01Å
92	A	68.5	Low	67.1	Low	48 Å²	48	87.1 Å²	87.1	40%	0.397	52%	0.515	S	S	.	.	H	α-helix	trans	-67.9	-32.6	173.3	0	0	0	0	0	112.2	A88 A89 Q95 Q96	A88-A92 WeakPolarHBondContact O-CB 3.19Å; A88-A92 PolarHBondContact O-N 3.06Å; A89-A92 PolarHBondContact O-N 2.96Å; A92-Q95 PolarHBondContact O-N 3.36Å; A92-Q96 WeakPolarHBondContact O-CB 3.12Å; A92-Q96 WeakPolarHBondContact O-CG 3.44Å; A92-Q96 PolarHBondContact O-N 2.8Å
93	A	67.1	Low	67.4	Low	54 Å²	54	86.7 Å²	86.7	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-72.9	-37.1	172.1	0	0	0	0	0	111.9	A89 A90 A91 Q95 S97	A89-A93 WeakPolarHBondContact O-CB 3.38Å; A89-A93 PolarHBondContact O-N 3.37Å; A90-A93 PolarHBondContact O-N 3.09Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A93-Q95 VanDerWaalsContact C-N 3.35Å; A93-S97 WeakPolarHBondContact O-CB 3.18Å; A93-S97 PolarHBondContact O-N 2.78Å
94	L	69.6	Low	67.5	Low	106 Å²	106	86.7 Å²	86.7	56%	0.555	51%	0.513	S	S	*	.	H	α-helix	trans	-65.1	-38.4	168.9	-97.2	158.1	0	0	0	111.3	A90 A91 S97 Q98	A90-L94 VanDerWaalsContact O-CB 3.31Å; A90-L94 WeakPolarHBondContact O-CB 3.32Å; A90-L94 PolarHBondContact O-N 2.93Å; A91-L94 CarbonylContact O-C 3.46Å; A91-L94 PolarHBondContact O-N 2.94Å; L94-S97 WeakPolarHBondContact O-CB 3.46Å; L94-S97 PolarHBondContact O-N 2.94Å; L94-Q98 WeakPolarHBondContact O-CB 3.15Å; L94-Q98 VanDerWaalsContact O-CG 3.31Å; L94-Q98 WeakPolarHBondContact O-CG 3.42Å; L94-Q98 PolarHBondContact O-N 3.37Å
95	Q	71.6	Confident	67.6	Low	124 Å²	124	86.2 Å²	86.2	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-73.3	-39	177.5	-163.1	171.6	26.3	0	0	111.1	A91 A92 A93 S97 Q98 I99	A91-Q95 VanDerWaalsContact O-CB 3.24Å; A91-Q95 WeakPolarHBondContact O-CB 3.44Å; A91-Q95 PolarHBondContact O-N 3.01Å; A92-Q95 PolarHBondContact O-N 3.36Å; A93-Q95 VanDerWaalsContact C-N 3.35Å; Q95-S97 VanDerWaalsContact C-N 3.33Å; Q95-Q98 PolarHBondContact O-N 2.85Å; Q95-I99 HydrophobicContact CG-CD1 4.13Å; Q95-I99 VanDerWaalsContact O-CB 3.26Å; Q95-I99 WeakPolarHBondContact O-CB 3.26Å; Q95-I99 WeakPolarHBondContact O-CD1 3.08Å; Q95-I99 WeakPolarHBondContact O-CG1 3.23Å; Q95-I99 PolarHBondContact O-N 2.71Å
96	Q	64.1	Low	68	Low	132 Å²	132	86.5 Å²	86.5	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-35.2	167.5	-79.3	-169.5	0.9	0	0	112.1	A92 N100	A92-Q96 WeakPolarHBondContact O-CB 3.12Å; A92-Q96 WeakPolarHBondContact O-CG 3.44Å; A92-Q96 PolarHBondContact O-N 2.8Å; Q96-N100 WeakPolarHBondContact O-CB 3.33Å; Q96-N100 PolarHBondContact O-N 3.22Å; Q96-N100 PolarHBondContact O-ND2 2.76Å; Q96-N100 VanDerWaalsContact O-ND2 3.09Å
97	S	66.2	Low	68.4	Low	65 Å²	65	89.9 Å²	89.9	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-65.3	-47.5	173.9	-178.9	0	0	0	0	110.6	A93 L94 Q95 N100 S101	A93-S97 WeakPolarHBondContact O-CB 3.18Å; A93-S97 PolarHBondContact O-N 2.78Å; L94-S97 WeakPolarHBondContact O-CB 3.46Å; L94-S97 PolarHBondContact O-N 2.94Å; Q95-S97 VanDerWaalsContact C-N 3.33Å; S97-N100 PolarHBondContact O-N 3.34Å; S97-S101 WeakPolarHBondContact O-CB 3.42Å; S97-S101 PolarHBondContact O-N 3.03Å; S97-S101 PolarHBondContact O-OG 3.1Å; S97-S101 VanDerWaalsContact O-OG 3.08Å
98	Q	70.1	Confident	68.5	Low	129 Å²	129	93 Å²	93	60%	0.603	52%	0.518	S	S	*	.	H	α-helix	trans	-63.9	-40.1	174.5	-74.3	177.8	2.5	0	0	112.3	L94 Q95 S101 A102	L94-Q98 WeakPolarHBondContact O-CB 3.15Å; L94-Q98 VanDerWaalsContact O-CG 3.31Å; L94-Q98 WeakPolarHBondContact O-CG 3.42Å; L94-Q98 PolarHBondContact O-N 3.37Å; Q95-Q98 PolarHBondContact O-N 2.85Å; Q98-S101 PolarHBondContact O-N 2.9Å; Q98-A102 WeakPolarHBondContact O-CB 3.33Å; Q98-A102 PolarHBondContact O-N 3.06Å
99	I	73.6	Confident	68.6	Low	91 Å²	91	95.7 Å²	95.7	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-41.6	174.3	-72.8	164.8	0	0	0	110.6	Q95 A102 L103	Q95-I99 HydrophobicContact CG-CD1 4.13Å; Q95-I99 VanDerWaalsContact O-CB 3.26Å; Q95-I99 WeakPolarHBondContact O-CB 3.26Å; Q95-I99 WeakPolarHBondContact O-CD1 3.08Å; Q95-I99 WeakPolarHBondContact O-CG1 3.23Å; Q95-I99 PolarHBondContact O-N 2.71Å; I99-A102 PolarHBondContact O-N 2.85Å; I99-L103 HydrophobicContact CG2-CD1 4.43Å; I99-L103 WeakPolarHBondContact O-CB 3.37Å; I99-L103 PolarHBondContact O-N 3.25Å
100	N	71.1	Confident	68.5	Low	97 Å²	97	97.5 Å²	97.5	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-69.3	-39.6	176.2	-76.1	-33.3	0	0	0	112	Q96 S97 L103 Q104	Q96-N100 WeakPolarHBondContact O-CB 3.33Å; Q96-N100 PolarHBondContact O-N 3.22Å; Q96-N100 PolarHBondContact O-ND2 2.76Å; Q96-N100 VanDerWaalsContact O-ND2 3.09Å; S97-N100 PolarHBondContact O-N 3.34Å; N100-L103 PolarHBondContact O-N 3.05Å; N100-Q104 WeakPolarHBondContact O-CB 3.47Å; N100-Q104 PolarHBondContact O-N 3.26Å
101	S	68.1	Low	68.2	Low	56 Å²	56	100.6 Å²	100.6	39%	0.392	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-39.9	172	-66.5	0	0	0	0	111.6	S97 Q98 Q104 Q105	S97-S101 WeakPolarHBondContact O-CB 3.42Å; S97-S101 PolarHBondContact O-N 3.03Å; S97-S101 PolarHBondContact O-OG 3.1Å; S97-S101 VanDerWaalsContact O-OG 3.08Å; Q98-S101 PolarHBondContact O-N 2.9Å; S101-Q104 PolarHBondContact O-N 3.41Å; S101-Q105 WeakPolarHBondContact O-CB 3.3Å; S101-Q105 WeakPolarHBondContact O-CG 3.33Å; S101-Q105 PolarHBondContact O-N 3.19Å
102	A	69.1	Low	67.5	Low	52 Å²	52	103.4 Å²	103.4	43%	0.43	53%	0.529	S	S	.	.	H	α-helix	trans	-68.6	-40.1	174.3	0	0	0	0	0	111.9	Q98 I99 Q104 Q105 Y106	Q98-A102 WeakPolarHBondContact O-CB 3.33Å; Q98-A102 PolarHBondContact O-N 3.06Å; I99-A102 PolarHBondContact O-N 2.85Å; A102-Q104 VanDerWaalsContact C-N 3.32Å; A102-Q104 PolarHBondContact O-N 3.39Å; A102-Q105 PolarHBondContact O-N 2.63Å; A102-Y106 WeakPolarHBondContact O-CB 3.45Å; A102-Y106 PolarHBondContact O-N 2.85Å
103	L	72.3	Confident	66.9	Low	109 Å²	109	107 Å²	107	57%	0.571	54%	0.537	S	S	*	.	H	α-helix	trans	-62.9	-40.3	172.1	-119.9	80.5	0	0	0	111.2	I99 N100 Y106 Q107	I99-L103 HydrophobicContact CG2-CD1 4.43Å; I99-L103 WeakPolarHBondContact O-CB 3.37Å; I99-L103 PolarHBondContact O-N 3.25Å; N100-L103 PolarHBondContact O-N 3.05Å; L103-Y106 PolarHBondContact O-N 3.29Å; L103-Q107 WeakPolarHBondContact O-CB 3.26Å; L103-Q107 PolarHBondContact O-N 2.97Å
104	Q	70.9	Confident	66.2	Low	136 Å²	136	110.9 Å²	110.9	64%	0.636	55%	0.546	S	S	*	.	H	α-helix	trans	-71.6	-38.7	179.7	-171	162.5	75.6	0	0	111.4	N100 S101 A102 Q108	N100-Q104 WeakPolarHBondContact O-CB 3.47Å; N100-Q104 PolarHBondContact O-N 3.26Å; S101-Q104 PolarHBondContact O-N 3.41Å; A102-Q104 VanDerWaalsContact C-N 3.32Å; A102-Q104 PolarHBondContact O-N 3.39Å; Q104-Q108 WeakPolarHBondContact O-CB 3.19Å; Q104-Q108 PolarHBondContact O-N 3.35Å
105	Q	68.2	Low	65.2	Low	138 Å²	138	112 Å²	112	65%	0.645	55%	0.549	S	S	*	.	H	α-helix	trans	-63.5	-44	168.5	-77.8	-179.4	-10.9	0	0	111.7	S101 A102 Q108 Q109	S101-Q105 WeakPolarHBondContact O-CB 3.3Å; S101-Q105 WeakPolarHBondContact O-CG 3.33Å; S101-Q105 PolarHBondContact O-N 3.19Å; A102-Q105 PolarHBondContact O-N 2.63Å; Q105-Q108 CarbonylContact O-C 3.56Å; Q105-Q108 PolarHBondContact O-N 3.13Å; Q105-Q109 VanDerWaalsContact O-CB 3.24Å; Q105-Q109 WeakPolarHBondContact O-CB 3.44Å; Q105-Q109 PolarHBondContact O-N 3.32Å
106	Y	72.5	Confident	64	Low	143 Å²	143	113.4 Å²	113.4	56%	0.561	56%	0.555	S	S	*	*	H	α-helix	trans	-65.7	-39.9	178.3	-170.2	-106.9	0	0	0	112	A102 L103 Q109 Q110	A102-Y106 WeakPolarHBondContact O-CB 3.45Å; A102-Y106 PolarHBondContact O-N 2.85Å; L103-Y106 PolarHBondContact O-N 3.29Å; Y106-Q109 PolarHBondContact O-N 3.27Å; Y106-Q110 PolarHBondContact O-N 3.38Å
107	Q	70.3	Confident	63	Low	128 Å²	128	115.3 Å²	115.3	60%	0.598	56%	0.564	S	S	*	*	H	α-helix	trans	-68.3	-37.8	174	-171.7	173.2	93	0	0	111.7	L103 Q111	L103-Q107 WeakPolarHBondContact O-CB 3.26Å; L103-Q107 PolarHBondContact O-N 2.97Å; Q107-Q111 WeakPolarHBondContact O-CB 3.41Å; Q107-Q111 PolarHBondContact O-N 2.89Å
108	Q	65.4	Low	61.8	Low	120 Å²	120	117.3 Å²	117.3	56%	0.561	57%	0.566	S	S	*	*	H	α-helix	trans	-68.3	-34.7	173	-169.5	175.3	97.2	0	0	111.8	Q104 Q105 Q111 Q112	Q104-Q108 WeakPolarHBondContact O-CB 3.19Å; Q104-Q108 PolarHBondContact O-N 3.35Å; Q105-Q108 CarbonylContact O-C 3.56Å; Q105-Q108 PolarHBondContact O-N 3.13Å; Q108-Q111 CarbonylContact O-C 3.56Å; Q108-Q111 WeakPolarHBondContact O-CB 3.41Å; Q108-Q111 PolarHBondContact O-N 3.01Å; Q108-Q112 PolarHBondContact O-N 3.23Å
109	Q	66.6	Low	60.4	Low	116 Å²	116	119.3 Å²	119.3	54%	0.542	58%	0.575	S	S	.	*	H	α-helix	trans	-71.6	-39.4	175.8	-169.5	172.4	78.2	0	0	111.9	Q105 Y106 Q111 Q112 Q113	Q105-Q109 VanDerWaalsContact O-CB 3.24Å; Q105-Q109 WeakPolarHBondContact O-CB 3.44Å; Q105-Q109 PolarHBondContact O-N 3.32Å; Y106-Q109 PolarHBondContact O-N 3.27Å; Q109-Q111 VanDerWaalsContact C-N 3.3Å; Q109-Q111 PolarHBondContact O-N 3.13Å; Q109-Q112 PolarHBondContact O-N 3.01Å; Q109-Q113 PolarHBondContact O-N 3.1Å
110	Q	62.8	Low	58.8	Low	98 Å²	98	123.6 Å²	123.6	46%	0.458	59%	0.593	S	S	.	*	H	α-helix	trans	-61	-39.3	166.4	-75.2	-167.5	8.1	0	0	111.7	Y106 Q112 Q113 Q114	Y106-Q110 PolarHBondContact O-N 3.38Å; Q110-Q112 VanDerWaalsContact C-N 3.35Å; Q110-Q113 PolarHBondContact O-N 3.37Å; Q110-Q114 PolarHBondContact O-N 3.37Å
111	Q	56.5	Low	56.9	Low	117 Å²	117	126.4 Å²	126.4	55%	0.547	60%	0.604	S	S	.	*	H	α-helix	trans	-68.8	-32.5	178.1	-157.1	169.7	108.6	0	0	112.3	Q107 Q108 Q109 Q115	Q107-Q111 WeakPolarHBondContact O-CB 3.41Å; Q107-Q111 PolarHBondContact O-N 2.89Å; Q108-Q111 CarbonylContact O-C 3.56Å; Q108-Q111 WeakPolarHBondContact O-CB 3.41Å; Q108-Q111 PolarHBondContact O-N 3.01Å; Q109-Q111 VanDerWaalsContact C-N 3.3Å; Q109-Q111 PolarHBondContact O-N 3.13Å; Q111-Q115 WeakPolarHBondContact O-CG 3.43Å; Q111-Q115 PolarHBondContact O-N 2.72Å; Q111-Q115 VanDerWaalsContact O-N 3.16Å
112	Q	53.8	Low	55.3	Low	112 Å²	112	128.7 Å²	128.7	52%	0.523	62%	0.617	S	S	.	*	H	α-helix	trans	-69.5	-40.7	168.8	-75.6	-172.9	0.2	0	0	112.5	Q108 Q109 Q110 Q114 Q115 Q116	Q108-Q112 PolarHBondContact O-N 3.23Å; Q109-Q112 PolarHBondContact O-N 3.01Å; Q110-Q112 VanDerWaalsContact C-N 3.35Å; Q112-Q114 VanDerWaalsContact C-N 3.35Å; Q112-Q114 PolarHBondContact O-N 2.89Å; Q112-Q115 PolarHBondContact O-N 3.29Å; Q112-Q115 VanDerWaalsContact O-N 3.09Å; Q112-Q116 PolarHBondContact O-N 3.08Å
113	Q	54.8	Low	53.5	Low	124 Å²	124	132 Å²	132	58%	0.579	63%	0.634	S	S	*	*	H	α-helix	trans	-62.2	-40	174.1	-77.2	-172.1	-6.5	0	0	112.2	Q109 Q110 Q115 Q116 Q117	Q109-Q113 PolarHBondContact O-N 3.1Å; Q110-Q113 PolarHBondContact O-N 3.37Å; Q113-Q115 VanDerWaalsContact C-N 3.29Å; Q113-Q115 PolarHBondContact O-N 2.93Å; Q113-Q116 PolarHBondContact O-N 3.08Å; Q113-Q117 PolarHBondContact O-N 3.32Å
114	Q	52.4	Low	51.5	Low	135 Å²	135	134.2 Å²	134.2	63%	0.631	64%	0.642	S	S	*	*	H	α-helix	trans	-65.9	-27.2	172.4	-75	-166.9	4.8	0	0	113.5	Q110 Q112	Q110-Q114 PolarHBondContact O-N 3.37Å; Q112-Q114 VanDerWaalsContact C-N 3.35Å; Q112-Q114 PolarHBondContact O-N 2.89Å
115	Q	48.9	Very low	49.7	Very low	131 Å²	131	136.8 Å²	136.8	61%	0.612	65%	0.654	S	S	*	*	H	α-helix	trans	-76.1	-42.2	172.1	-73.7	-172.5	32.9	0	0	112.2	Q111 Q112 Q113 Q117 Q118	Q111-Q115 WeakPolarHBondContact O-CG 3.43Å; Q111-Q115 PolarHBondContact O-N 2.72Å; Q111-Q115 VanDerWaalsContact O-N 3.16Å; Q112-Q115 PolarHBondContact O-N 3.29Å; Q112-Q115 VanDerWaalsContact O-N 3.09Å; Q113-Q115 VanDerWaalsContact C-N 3.29Å; Q113-Q115 PolarHBondContact O-N 2.93Å; Q115-Q117 VanDerWaalsContact C-N 3.35Å; Q115-Q117 PolarHBondContact O-N 3.18Å; Q115-Q118 PolarHBondContact O-N 3.27Å; Q115-Q118 VanDerWaalsContact O-N 3.12Å
116	Q	46.7	Very low	47.9	Very low	153 Å²	153	136 Å²	136	72%	0.715	66%	0.66	S	S	*	*	H	α-helix	trans	-64.5	-36.9	177.3	-71.4	-170.8	0.1	0	0	112.3	Q112 Q113 Q118 Q119	Q112-Q116 PolarHBondContact O-N 3.08Å; Q113-Q116 PolarHBondContact O-N 3.08Å; Q116-Q118 VanDerWaalsContact C-N 3.26Å; Q116-Q118 PolarHBondContact O-N 3.24Å; Q116-Q119 PolarHBondContact O-N 3.02Å
117	Q	43.5	Very low	46.5	Very low	172 Å²	172	134.6 Å²	134.6	80%	0.804	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-16	173.9	-74	-168.7	-3.8	0	0	114.5	Q113 Q115	Q113-Q117 PolarHBondContact O-N 3.32Å; Q115-Q117 VanDerWaalsContact C-N 3.35Å; Q115-Q117 PolarHBondContact O-N 3.18Å
118	Q	39.6	Very low	44.5	Very low	107 Å²	107	136.1 Å²	136.1	50%	0.5	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-3.8	175.9	-78.5	-166.3	13.5	0	0	115	Q115 Q116 R419	Q115-Q118 PolarHBondContact O-N 3.27Å; Q115-Q118 VanDerWaalsContact O-N 3.12Å; Q116-Q118 VanDerWaalsContact C-N 3.26Å; Q116-Q118 PolarHBondContact O-N 3.24Å; Q118-R419 PolarHBondContact O-NH2 3Å
119	Q	42.3	Very low	42.6	Very low	170 Å²	170	138.8 Å²	138.8	79%	0.794	69%	0.688	S	S	*	*	S	Bend	trans	-112.3	10.1	-172.3	-136.6	174.3	86.2	0	0	116.2	Q116	Q116-Q119 PolarHBondContact O-N 3.02Å
120	Q	39.5	Very low	40.7	Very low	181 Å²	181	139.8 Å²	139.8	85%	0.846	70%	0.697	S	S	*	*	S	Bend	trans	-128.5	67.8	167.3	-68.7	-162.5	17.4	0	0	114
121	Q	30.9	Very low	39.1	Very low	157 Å²	157	144.5 Å²	144.5	73%	0.734	71%	0.712	S	S	*	*	S	Bend	trans	-142.9	146.6	145.7	-85	-153.1	11.4	0	0	110.8	R419	Q121-R419 PolarHBondContact O-NH1 3.47Å
122	P	34.7	Very low	37.7	Very low	103 Å²	103	146.1 Å²	146.1	67%	0.669	72%	0.724	S	S	*	*			trans	-74.3	167.7	-165.7	30.3	-37.3	0	0	0	114.5
123	P	31.2	Very low	36.7	Very low	123 Å²	123	146.9 Å²	146.9	80%	0.799	74%	0.736	S	S	*	*			trans	-74.4	152.8	174.5	31.3	-35.8	0	0	0	112.9
124	Q	29.3	Very low	36.4	Very low	155 Å²	155	146 Å²	146	72%	0.724	74%	0.742	S	S	*	*			trans	-124.8	156.9	163.9	-72.3	-164.3	-63.5	0	0	110.3
125	Q	33.5	Very low	35.5	Very low	189 Å²	189	147 Å²	147	88%	0.883	75%	0.746	S	S	*	*			trans	-102.3	146.6	-179.4	-68.5	173.9	-40.2	0	0	112
126	P	31.3	Very low	34.5	Very low	121 Å²	121	147.3 Å²	147.3	79%	0.786	75%	0.747	S	S	*	*			trans	-86.2	175.1	170	40.4	-37	0	0	0	110.8
127	P	43.2	Very low	33.6	Very low	114 Å²	114	146.9 Å²	146.9	74%	0.74	75%	0.749	S	S	*	*				-132.8	-175.9	-116.4	40.2	-21	0	0	0	116.6
128	Q	27	Very low	33.8	Very low	160 Å²	160	144.6 Å²	144.6	75%	0.748	75%	0.749	S	S	*	*			trans	67.3	121	165.2	-66.3	-71.7	7.9	0	0	118.7
129	Q	26.8	Very low	33.3	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	76%	0.763	S	S	*	*				-170.1	168.6	109.5	-97.6	-59.6	-9.4	0	0	110.8
130	L	25.3	Very low	33.5	Very low	137 Å²	137	143.8 Å²	143.8	72%	0.717	75%	0.753	S	S	*	*			trans	-109.9	172.6	-166.7	-152.6	69.8	0	0	0	113.7
131	Y	28.8	Very low	33	Very low	198 Å²	198	142.6 Å²	142.6	78%	0.776	75%	0.748	S	S	*	*			trans	91.5	135.6	165.5	-90.6	-103.4	0	0	0	122.2
132	N	27	Very low	33.1	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	75%	0.751	S	S	*	*			trans	86.9	129.1	151.4	-79.3	-5.7	0	0	0	125.5
133	V	33.5	Very low	33	Very low	129 Å²	129	142.7 Å²	142.7	78%	0.782	75%	0.754	S	S	*	*			trans	-89.6	159.1	163.7	151.8	0	0	0	0	107.7
134	P	49.8	Very low	33	Very low	106 Å²	106	144.3 Å²	144.3	69%	0.688	76%	0.755	S	S	*	*			cis	-147.8	178	33.4	28.6	-1.3	0	0	0	120.7
135	H	32.2	Very low	33	Very low	155 Å²	155	144.1 Å²	144.1	72%	0.718	76%	0.757	S	S	*	*			trans	78.7	121.6	135.2	-86.9	36.6	0	0	0	126.4
136	Q	27.8	Very low	32.8	Very low	138 Å²	138	140.7 Å²	140.7	65%	0.645	75%	0.754	S	S	*	*				60.8	119.5	126.5	-64.5	-164.6	40.3	0	0	125.8
137	L	29.2	Very low	32.6	Very low	143 Å²	143	143.6 Å²	143.6	75%	0.749	76%	0.757	S	S	*	*			trans	63.3	165.7	130.6	-74.4	161.2	0	0	0	120.5
138	P	46.9	Very low	33.4	Very low	124 Å²	124	143.5 Å²	143.5	81%	0.805	76%	0.756	S	S	*	*			cis	-129.5	-170.7	9.6	39.4	-19.4	0	0	0	118.5
139	Q	29.7	Very low	34.4	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	75%	0.753	S	S	*	*			trans	-79.6	-163.9	-179.6	-106.2	-176.2	10.4	0	0	114.3
140	P	45.9	Very low	34.6	Very low	89 Å²	89	139.5 Å²	139.5	58%	0.578	76%	0.756	S	S	*	*			cis	-142.5	170.2	5	24.6	2.3	0	0	0	120.4
141	Q	29.9	Very low	34.7	Very low	157 Å²	157	137.5 Å²	137.5	73%	0.734	76%	0.76	S	S	*	*			trans	59.3	160.9	139.7	-68.2	167.8	-38.9	0	0	122.1
142	Q	32.9	Very low	34.5	Very low	174 Å²	174	136 Å²	136	81%	0.813	77%	0.765	S	S	*	*			cis	-157.8	173.1	-9.6	-121.5	167.4	-0.7	0	0	114.9
143	A	31.4	Very low	35.6	Very low	87 Å²	87	133.4 Å²	133.4	72%	0.719	76%	0.756	S	S	*	*			trans	-77.1	174.6	-165.8	0	0	0	0	0	121.6
144	L	30.7	Very low	35.2	Very low	157 Å²	157	133.2 Å²	133.2	82%	0.822	76%	0.755	S	S	*	*				165.9	121.8	125.2	-87.4	161.3	0	0	0	119.7
145	I	30.6	Very low	34.1	Very low	152 Å²	152	132.4 Å²	132.4	78%	0.779	75%	0.752	S	S	*	*			trans	31.5	134.8	136.6	-62	174.3	0	0	0	125.4
146	S	28.6	Very low	33.8	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	76%	0.759	S	S	*	*				176.7	169.4	127.9	43	0	0	0	0	116.3
147	Q	27.2	Very low	33.7	Very low	183 Å²	183	131.1 Å²	131.1	86%	0.855	76%	0.762	S	S	*	*			trans	-152.6	-173.3	178	-64	-169.1	1.2	0	0	110
148	P	59.5	Low	33.6	Very low	111 Å²	111	132.5 Å²	132.5	72%	0.721	77%	0.769	S	S	*	*			cis	-119.2	-108.2	-20.9	24.3	1.4	0	0	0	111.9
149	P	49.1	Very low	32.7	Very low	105 Å²	105	132.5 Å²	132.5	68%	0.682	77%	0.772	S	S	*	*				-132.1	151.4	-50.1	33.2	-13.2	0	0	0	118.9
150	V	30.5	Very low	32.6	Very low	147 Å²	147	131.4 Å²	131.4	89%	0.891	77%	0.772	S	S	*	*			trans	34.7	125.7	138.8	-174.3	0	0	0	0	124
151	A	26.8	Very low	32.2	Very low	96 Å²	96	132 Å²	132	79%	0.793	78%	0.776	S	S	*	*			trans	-167.1	166.6	136.8	0	0	0	0	0	114.2
152	L	26.2	Very low	32	Very low	166 Å²	166	131.7 Å²	131.7	87%	0.869	77%	0.774	S	S	*	*			trans	-143.6	-177.2	-174.7	-84.4	166.3	0	0	0	109
153	P	49.3	Very low	31.7	Very low	95 Å²	95	131.2 Å²	131.2	62%	0.617	77%	0.772	S	S	*	*			cis	-134.5	-151.1	-40.7	36.6	-16	0	0	0	112
154	T	25.7	Very low	31.4	Very low	125 Å²	125	133.4 Å²	133.4	77%	0.767	78%	0.776	S	S	*	*			trans	70.1	151	155.5	41.2	0	0	0	0	119.3
155	S	26.6	Very low	31.3	Very low	89 Å²	89	130.1 Å²	130.1	62%	0.622	77%	0.772	S	S	*	*			cis	-172	146.1	-11.3	47.9	0	0	0	0	114.8
156	L	25.9	Very low	31	Very low	164 Å²	164	132 Å²	132	86%	0.859	78%	0.778	S	S	*	*			trans	67	159.6	138.9	-69.3	168.3	0	0	0	123.3
157	S	24.3	Very low	31.1	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	78%	0.777	S	S	*	*			trans	83.9	95.9	150.2	-62.5	0	0	0	0	122.3
158	L	28.3	Very low	31	Very low	172 Å²	172	131 Å²	131	90%	0.901	77%	0.772	S	S	*	*				27.2	117.8	115.8	-69.1	162.5	0	0	0	119.3
159	S	27.5	Very low	29.4	Very low	124 Å²	124	130.6 Å²	130.6	87%	0.867	77%	0.767	S	S	*	*				-167.6	147.6	129.4	40.6	0	0	0	0	112.5
160	N	27.2	Very low	28.3	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	77%	0.77	S	S	*	*			trans	-111.6	148.5	166.2	-159.3	27.2	0	0	0	105.5
161	P	37.3	Very low	28	Very low	101 Å²	101	134 Å²	134	66%	0.656	77%	0.768	S	S	*	*				-154.6	165.7	81.8	40.5	-21.4	0	0	0	117.9
162	Q	25.4	Very low	28.2	Very low	150 Å²	150	134.5 Å²	134.5	70%	0.701	76%	0.764	S	S	*	*			trans	56.5	125	144.9	-77.1	179.7	-50.9	0	0	122.4
163	Q	27.6	Very low	28.1	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	76%	0.763	S	S	*	*			trans	67.7	149.2	149	-59.4	172	-0.5	0	0	115.6
164	T	25	Very low	27.4	Very low	132 Å²	132	134.1 Å²	134.1	81%	0.81	77%	0.769	S	S	*	*			cis	-141.7	171.6	10.1	-28.9	0	0	0	0	109.4
165	A	28.3	Very low	27.3	Very low	88 Å²	88	140.2 Å²	140.2	73%	0.727	78%	0.777	S	S	*	*			trans	-71.9	148.6	172.3	0	0	0	0	0	112.3
166	Q	25.4	Very low	27.7	Very low	193 Å²	193	141.7 Å²	141.7	90%	0.902	79%	0.788	S	S	*	*				-171.1	155.9	118.8	-104.6	173.3	5.9	0	0	113.3
167	I	30.7	Very low	27.8	Very low	154 Å²	154	139.5 Å²	139.5	79%	0.79	79%	0.786	S	S	*	*			trans	-83.6	136.5	172.2	-66.3	154.8	0	0	0	108.8	V169	I167-V169 HydrophobicContact CG2-CG2 4.47Å
168	T	25.4	Very low	28.3	Very low	123 Å²	123	143.8 Å²	143.8	76%	0.755	80%	0.795	S	S	*	*			trans	-143	123	153.9	-63.4	0	0	0	0	109.4
169	V	25.8	Very low	28.4	Very low	102 Å²	102	144.1 Å²	144.1	62%	0.618	79%	0.792	S	S	*	*			trans	-92.7	135.7	170	178.4	0	0	0	0	108.8	I167 Y171	I167-V169 HydrophobicContact CG2-CG2 4.47Å; V169-Y171 HydrophobicContact CG1-CD2 3.72Å; V169-Y171 HydrophobicContact CG1-CE2 3.62Å
170	S	24.4	Very low	28.6	Very low	106 Å²	106	147.9 Å²	147.9	74%	0.741	80%	0.795	S	S	*	*			trans	-115.2	94	175.9	-63.7	0	0	0	0	110.3
171	Y	24.5	Very low	28.7	Very low	217 Å²	217	149.4 Å²	149.4	85%	0.851	80%	0.798	S	S	*	*			trans	-71.7	134.3	171.6	-80.3	-90.4	0	0	0	111.3	V169	V169-Y171 HydrophobicContact CG1-CD2 3.72Å; V169-Y171 HydrophobicContact CG1-CE2 3.62Å
172	P	30.7	Very low	28.6	Very low	108 Å²	108	150.9 Å²	150.9	70%	0.701	81%	0.805	S	S	*	*			trans	-112.5	135.5	173.2	36.7	-27.2	0	0	0	113.2
173	T	23.9	Very low	29	Very low	139 Å²	139	151.7 Å²	151.7	85%	0.853	81%	0.809	S	S	*	*			trans	-171.6	166.2	157.3	18.7	0	0	0	0	110.1
174	P	36	Very low	29.7	Very low	114 Å²	114	149.6 Å²	149.6	74%	0.74	81%	0.809	S	S	*	*			cis	-125.5	156.4	-21.5	35.4	-21.6	0	0	0	112.9
175	R	24.1	Very low	31.2	Very low	252 Å²	252	149.1 Å²	149.1	95%	0.951	80%	0.798	S	S	*	*			trans	-154.8	135.9	146.7	-132.7	175.7	-174.2	-179.3	1.5	111.8
176	S	33.8	Very low	33.4	Very low	120 Å²	120	152.2 Å²	152.2	84%	0.839	80%	0.795	S	S	*	*			trans	-93.2	132.6	-170.1	42	0	0	0	0	113.3
177	S	28.6	Very low	36.2	Very low	118 Å²	118	148.9 Å²	148.9	83%	0.825	78%	0.779	S	S	*	*			trans	-160.9	150.4	156.3	56.4	0	0	0	0	110.2	Q179	S177-Q179 PolarHBondContact O-N 2.83Å
178	H	34.3	Very low	38.9	Very low	193 Å²	193	146 Å²	146	89%	0.894	76%	0.759	S	S	*	*			trans	-68.7	124.9	176.6	-86.1	15.6	0	0	0	111.6
179	Q	29.6	Very low	42.1	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	75%	0.751	S	S	*	*			trans	-152.9	140.4	150.4	-111.8	173.3	28.8	0	0	110.3	S177 Q181	S177-Q179 PolarHBondContact O-N 2.83Å; Q179-Q181 PolarHBondContact O-N 2.93Å
180	Q	33.4	Very low	45.3	Very low	202 Å²	202	142.1 Å²	142.1	94%	0.944	73%	0.731	S	S	*	*			trans	-72	106.1	171.5	-71.4	174.5	-34.1	0	0	108.9
181	Q	28.8	Very low	48.6	Very low	182 Å²	182	140.9 Å²	140.9	85%	0.85	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-87.6	127.2	167.6	-75.9	-168.2	-7.9	0	0	110.6	Q179	Q179-Q181 PolarHBondContact O-N 2.93Å
182	T	35	Very low	51.8	Low	132 Å²	132	130.9 Å²	130.9	81%	0.81	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-67.5	145.8	170.5	41.9	0	0	0	0	110.5
183	Q	34	Very low	54.8	Low	167 Å²	167	127.7 Å²	127.7	78%	0.78	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-54.3	139.5	168.1	-73.4	-176.6	-11.9	0	0	110.2	Q185	Q183-Q185 PolarHBondContact O-N 2.86Å
184	P	42.8	Very low	58.1	Low	120 Å²	120	121 Å²	121	78%	0.779	62%	0.62	S	S	*	*			trans	-63.5	111.3	172.8	26.4	-33	0	0	0	109	K186	P184-K186 PolarHBondContact O-N 3.04Å; P184-K186 VanDerWaalsContact O-N 3.12Å
185	Q	55.8	Low	60.7	Low	122 Å²	122	118.5 Å²	118.5	57%	0.57	60%	0.6	S	S	*	*			trans	-58.1	117.4	174.7	-70.4	-176.1	-15.7	0	0	108.8	Q183 Q187 V231	Q183-Q185 PolarHBondContact O-N 2.86Å; Q185-Q187 VanDerWaalsContact O-CG 3.3Å; Q185-Q187 WeakPolarHBondContact O-CG 3.29Å; Q185-Q187 PolarHBondContact O-N 3.26Å; Q185-V231 HydrophobicContact CB-CG1 3.7Å; Q185-V231 HydrophobicContact CG-CG1 4.31Å
186	K	74.9	Confident	63.7	Low	154 Å²	154	111.8 Å²	111.8	67%	0.67	58%	0.577	S	S	*	*			trans	-66.3	107.7	178.7	-63.1	-177.1	179	-177.3	0	108.6	P184 Y232 W240	P184-K186 PolarHBondContact O-N 3.04Å; P184-K186 VanDerWaalsContact O-N 3.12Å; K186-Y232 WeakPolarHBondContact O-CB 3.29Å; K186-Y232 PolarHBondContact O-N 3.23Å; K186-W240 HydrophobicContact CB-CH2 4.44Å; K186-W240 VanDerWaalsContact O-CZ3 3.28Å; K186-W240 WeakPolarHBondContact O-CZ3 3.4Å
187	Q	84.6	Confident	66.3	Low	122 Å²	122	108.7 Å²	108.7	57%	0.57	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.3	146.4	175.7	-46.8	-157.2	-18.4	0	0	109.9	Q185 A230 V231	Q185-Q187 VanDerWaalsContact O-CG 3.3Å; Q185-Q187 WeakPolarHBondContact O-CG 3.29Å; Q185-Q187 PolarHBondContact O-N 3.26Å; Q187-A230 CarbonylContact C-O 3.55Å; Q187-A230 WeakPolarHBondContact CA-O 3.47Å; Q187-V231 HydrophobicContact CB-CG2 4.17Å; Q187-V231 HydrophobicContact CG-CG1 4.26Å; Q187-V231 HydrophobicContact CG-CG2 3.71Å
188	R	87.4	Confident	69.1	Low	94 Å²	94	107.7 Å²	107.7	36%	0.355	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.1	172.4	70.6	-177.4	179.5	174.2	1.8	110.6	F190 A230 W240	R188-F190 HydrophobicContact CG-CD1 4.07Å; R188-F190 HydrophobicContact CG-CE1 4.41Å; R188-A230 HydrophobicContact CG-CB 4.41Å; R188-A230 PolarHBondContact N-O 3.5Å; R188-A230 PolarHBondContact O-N 3.24Å; R188-W240 HydrophobicContact CB-CH2 4.22Å; R188-W240 HydrophobicContact CB-CZ3 4.19Å; R188-W240 HydrophobicContact CG-CE3 4.01Å; R188-W240 HydrophobicContact CG-CH2 3.81Å; R188-W240 HydrophobicContact CG-CZ2 4.48Å; R188-W240 HydrophobicContact CG-CZ3 3.53Å
189	V	92.5	Very high	71.1	Confident	98 Å²	98	106.2 Å²	106.2	59%	0.594	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.1	173.8	-169.5	0	0	0	0	108.5	L227 V228 E229	V189-L227 HydrophobicContact CG1-CD1 4.02Å; V189-L227 HydrophobicContact CG1-CG 4.45Å; V189-V228 VanDerWaalsContact CA-O 3.3Å; V189-V228 WeakPolarHBondContact CA-O 3.47Å; V189-E229 HydrophobicContact CG1-CG 3.98Å; V189-E229 HydrophobicContact CG2-CB 4.4Å; V189-E229 HydrophobicContact CG2-CG 3.9Å
190	F	93.2	Very high	73.6	Confident	46 Å²	46	102.2 Å²	102.2	20%	0.202	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	167.2	-174.7	71.9	-73.7	0	0	0	111	R188 V204 D205 V208 V228 A230	R188-F190 HydrophobicContact CG-CD1 4.07Å; R188-F190 HydrophobicContact CG-CE1 4.41Å; F190-V204 HydrophobicContact CE2-CG1 4.48Å; F190-D205 WeakPolarHBondContact CE2-OD2 3.23Å; F190-V208 HydrophobicContact CE1-CG2 4.23Å; F190-V208 HydrophobicContact CZ-CB 4.25Å; F190-V208 HydrophobicContact CZ-CG1 4.41Å; F190-V208 HydrophobicContact CZ-CG2 3.7Å; F190-V228 HydrophobicContact CD1-CB 4.18Å; F190-V228 HydrophobicContact CE1-CB 3.7Å; F190-V228 HydrophobicContact CE1-CG1 3.7Å; F190-V228 HydrophobicContact CZ-CB 3.89Å; F190-V228 HydrophobicContact CZ-CG1 3.96Å; F190-V228 HydrophobicContact CZ-CG2 4.28Å; F190-V228 PolarHBondContact N-O 3.37Å; F190-V228 PolarHBondContact O-N 3.14Å; F190-A230 HydrophobicContact CE1-CB 4.02Å
191	T	93.3	Very high	76.3	Confident	80 Å²	80	95.6 Å²	95.6	49%	0.491	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.4	172.5	58.6	0	0	0	0	110.9	V226 L227 L248	T191-V226 CarbonylContact C-O 3.55Å; T191-V226 VanDerWaalsContact CA-O 3.24Å; T191-V226 WeakPolarHBondContact CA-O 3.42Å; T191-L227 HydrophobicContact CG2-CB 4.49Å; T191-L227 HydrophobicContact CG2-CD1 3.74Å; T191-L248 HydrophobicContact CG2-CD1 3.79Å
192	G	90.9	Very high	79.3	Confident	7 Å²	7	87 Å²	87	7%	0.072	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	-173.6	179.4	0	0	0	0	0	112.9	D205 R225 V226	G192-D205 WeakPolarHBondContact CA-OD1 3.34Å; G192-D205 WeakPolarHBondContact CA-OD2 3.34Å; G192-R225 WeakPolarHBondContact O-CA 3.33Å; G192-V226 PolarHBondContact N-O 3.16Å; G192-V226 PolarHBondContact O-N 3.42Å
193	V	93.5	Very high	82.1	Confident	40 Å²	40	81.9 Å²	81.9	24%	0.242	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.1	176.9	-179.3	0	0	0	0	110.1	N195 V204 D205 R225	V193-N195 PolarHBondContact O-N 2.85Å; V193-N195 VanDerWaalsContact O-N 3.14Å; V193-N195 PolarHBondContact O-OD1 3.27Å; V193-V204 VanDerWaalsContact O-CA 3.31Å; V193-V204 WeakPolarHBondContact O-CA 3.33Å; V193-V204 WeakPolarHBondContact O-CG1 3.38Å; V193-D205 PolarHBondContact N-OD1 3.42Å; V193-D205 PolarHBondContact O-N 3.34Å; V193-R225 HydrophobicContact CG2-CG 4.02Å
194	V	93.6	Very high	84.9	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	101.4	173.8	179	0	0	0	0	109.6	L197 F203 V204 F210 P220 V222 G223 D224 V226	V194-L197 HydrophobicContact CG1-CB 4.32Å; V194-L197 HydrophobicContact CG1-CD1 4.39Å; V194-F203 WeakPolarHBondContact CA-O 3.27Å; V194-V204 HydrophobicContact CG2-CG2 4.26Å; V194-F210 HydrophobicContact CG1-CE1 4.16Å; V194-F210 HydrophobicContact CG1-CZ 4.08Å; V194-F210 HydrophobicContact CG2-CE1 4.21Å; V194-F210 HydrophobicContact CG2-CZ 4.2Å; V194-P220 HydrophobicContact CG2-CB 3.87Å; V194-P220 HydrophobicContact CG2-CG 4.22Å; V194-V222 CarbonylContact O-C 3.52Å; V194-V222 WeakPolarHBondContact O-CA 3.42Å; V194-G223 PolarHBondContact O-N 3.49Å; V194-D224 PolarHBondContact N-O 2.9Å; V194-D224 VanDerWaalsContact N-O 3.11Å; V194-V226 HydrophobicContact CG2-CB 4.5Å; V194-V226 HydrophobicContact CG2-CG1 3.83Å; V194-V226 HydrophobicContact CG2-CG2 3.78Å
195	N	90.8	Very high	87.1	Confident	60 Å²	60	71.5 Å²	71.5	32%	0.321	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-32	-179.6	-80.4	29.8	0	0	0	112.7	V193 F203 E206 V222	V193-N195 PolarHBondContact O-N 2.85Å; V193-N195 VanDerWaalsContact O-N 3.14Å; V193-N195 PolarHBondContact O-OD1 3.27Å; N195-F203 PolarHBondContact N-O 3.15Å; N195-E206 HydrophobicContact CB-CG 4.15Å; N195-E206 WeakPolarHBondContact ND2-CG 3.39Å; N195-E206 PolarHBondContact ND2-OE1 2.87Å; N195-V222 WeakPolarHBondContact O-CG1 3.38Å
196	K	87.8	Confident	88.4	Confident	111 Å²	111	71.1 Å²	71.1	48%	0.483	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.1	-177.9	-67.3	173.8	-174.6	158.4	0	110.2	G202 F203	K196-G202 CarbonylContact O-C 3.56Å; K196-G202 WeakPolarHBondContact O-CA 3.47Å; K196-F203 HydrophobicContact CB-CD2 4.14Å; K196-F203 PolarHBondContact O-N 2.85Å
197	L	88.7	Confident	88.8	Confident	55 Å²	55	69.4 Å²	69.4	29%	0.288	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.4	179	-169.3	79.1	0	0	0	109.6	V194 F210 L212 P220 V222	V194-L197 HydrophobicContact CG1-CB 4.32Å; V194-L197 HydrophobicContact CG1-CD1 4.39Å; L197-F210 HydrophobicContact CD1-CE2 4.01Å; L197-F210 HydrophobicContact CD1-CZ 3.69Å; L197-L212 HydrophobicContact CD1-CD2 4.22Å; L197-P220 WeakPolarHBondContact CD2-O 3.5Å; L197-V222 HydrophobicContact CB-CG2 3.78Å
198	H	86.1	Confident	89.1	Confident	98 Å²	98	63.6 Å²	63.6	45%	0.454	33%	0.327	S	S	.	.			trans	-128	168.3	173.4	-61.3	-85.1	0	0	0	109.4	T200 F201	H198-T200 PolarHBondContact O-N 2.85Å; H198-F201 CarbonylContact C-O 3.57Å; H198-F201 WeakPolarHBondContact CA-O 3.48Å; H198-F201 HydrophobicContact CB-CE1 4.3Å; H198-F201 HydrophobicContact CB-CE2 4.35Å; H198-F201 HydrophobicContact CB-CZ 4.2Å; H198-F201 AromaticContact CD2-CE2 3.44Å; H198-F201 VanDerWaalsContact CD2-CE2 3.44Å; H198-F201 WeakPolarHBondContact CD2-CE2 3.43Å; H198-F201 AromaticContact CD2-CZ 3.77Å; H198-F201 PolarHBondContact N-O 2.7Å; H198-F201 PolarHBondContact O-N 2.82Å
199	D	77	Confident	89.4	Confident	162 Å²	162	60.7 Å²	60.7	87%	0.866	32%	0.317	S	S	*	.	S	Bend	trans	-62.7	-6.7	-170.2	-50.6	-40.5	0	0	0	115.7	L212	D199-L212 WeakPolarHBondContact O-CD1 3.45Å
200	T	80.9	Confident	89.4	Confident	95 Å²	95	56.1 Å²	56.1	58%	0.583	29%	0.289	S	S	*	.	S	Bend	trans	-133.7	-17.2	176.5	51.1	0	0	0	0	114.9	H198 L212	H198-T200 PolarHBondContact O-N 2.85Å; T200-L212 PolarHBondContact O-N 3.09Å
201	F	91.3	Very high	89.4	Confident	63 Å²	63	59.1 Å²	59.1	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	166.3	-174.8	66.8	-94.6	0	0	0	112.4	H198 F203 F209 F210	H198-F201 CarbonylContact C-O 3.57Å; H198-F201 WeakPolarHBondContact CA-O 3.48Å; H198-F201 HydrophobicContact CB-CE1 4.3Å; H198-F201 HydrophobicContact CB-CE2 4.35Å; H198-F201 HydrophobicContact CB-CZ 4.2Å; H198-F201 AromaticContact CD2-CE2 3.44Å; H198-F201 VanDerWaalsContact CD2-CE2 3.44Å; H198-F201 WeakPolarHBondContact CD2-CE2 3.43Å; H198-F201 AromaticContact CD2-CZ 3.77Å; H198-F201 PolarHBondContact N-O 2.7Å; H198-F201 PolarHBondContact O-N 2.82Å; F201-F203 HydrophobicContact CD2-CE2 4.13Å; F201-F203 AromaticContact CE2-CE2 3.86Å; F201-F203 HydrophobicContact CE2-CE2 3.86Å; F201-F203 HydrophobicContact CE2-CZ 4.42Å; F201-F209 HydrophobicContact CB-CE2 3.64Å; F201-F209 HydrophobicContact CB-CZ 3.82Å; F201-F209 HydrophobicContact CD2-CD2 4.21Å; F201-F209 AromaticContact CD2-CE2 3.59Å; F201-F209 HydrophobicContact CD2-CE2 3.59Å; F201-F209 HydrophobicContact CE2-CE2 4.38Å; F201-F209 AromaticContact CG-CE2 3.67Å; F201-F209 HydrophobicContact CG-CE2 3.67Å; F201-F209 HydrophobicContact CG-CZ 4.19Å; F201-F210 CarbonylContact C-O 3.56Å; F201-F210 WeakPolarHBondContact CA-O 3.37Å; F201-F210 WeakPolarHBondContact CB-O 3.35Å
202	G	92.1	Very high	89.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	-174.1	172.2	0	0	0	0	0	112.8	K196 F210	K196-G202 CarbonylContact O-C 3.56Å; K196-G202 WeakPolarHBondContact O-CA 3.47Å; G202-F210 PolarHBondContact N-O 3.31Å; G202-F210 WeakPolarHBondContact O-CD1 3.49Å; G202-F210 PolarHBondContact O-N 3.07Å
203	F	93.5	Very high	89	Confident	26 Å²	26	61.6 Å²	61.6	11%	0.114	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.8	178.3	-64.4	-86.8	0	0	0	111.3	V194 N195 K196 F201 V208 F209 F238	V194-F203 WeakPolarHBondContact CA-O 3.27Å; N195-F203 PolarHBondContact N-O 3.15Å; K196-F203 HydrophobicContact CB-CD2 4.14Å; K196-F203 PolarHBondContact O-N 2.85Å; F201-F203 HydrophobicContact CD2-CE2 4.13Å; F201-F203 AromaticContact CE2-CE2 3.86Å; F201-F203 HydrophobicContact CE2-CE2 3.86Å; F201-F203 HydrophobicContact CE2-CZ 4.42Å; F203-V208 WeakPolarHBondContact CA-O 3.47Å; F203-F209 HydrophobicContact CD1-CB 4.22Å; F203-F209 HydrophobicContact CD1-CD2 4.47Å; F203-F209 HydrophobicContact CE1-CB 3.95Å; F203-F209 AromaticContact CE1-CD2 3.79Å; F203-F209 HydrophobicContact CE1-CD2 3.79Å; F203-F209 HydrophobicContact CE1-CG 4.38Å; F203-F209 AromaticContact CZ-CD2 3.88Å; F203-F209 HydrophobicContact CZ-CD2 3.88Å; F203-F238 AromaticContact CE1-CD1 3.79Å; F203-F238 HydrophobicContact CE1-CD1 3.79Å; F203-F238 HydrophobicContact CE1-CD2 4.14Å; F203-F238 AromaticContact CE1-CE1 3.58Å; F203-F238 HydrophobicContact CE1-CE1 3.58Å; F203-F238 AromaticContact CE1-CE2 3.95Å; F203-F238 HydrophobicContact CE1-CE2 3.95Å; F203-F238 HydrophobicContact CE1-CG 4.07Å; F203-F238 AromaticContact CE1-CZ 3.68Å; F203-F238 HydrophobicContact CE1-CZ 3.68Å; F203-F238 HydrophobicContact CZ-CD2 4.46Å; F203-F238 AromaticContact CZ-CE1 3.93Å; F203-F238 HydrophobicContact CZ-CE1 3.93Å; F203-F238 AromaticContact CZ-CE2 3.86Å; F203-F238 HydrophobicContact CZ-CE2 3.86Å; F203-F238 AromaticContact CZ-CZ 3.57Å; F203-F238 HydrophobicContact CZ-CZ 3.57Å
204	V	92.7	Very high	88.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.5	171.2	-169.1	0	0	0	0	109.3	F190 V193 V194 E206 V208 F210 V226 V228 I245	F190-V204 HydrophobicContact CE2-CG1 4.48Å; V193-V204 VanDerWaalsContact O-CA 3.31Å; V193-V204 WeakPolarHBondContact O-CA 3.33Å; V193-V204 WeakPolarHBondContact O-CG1 3.38Å; V194-V204 HydrophobicContact CG2-CG2 4.26Å; V204-E206 PolarHBondContact O-N 3.01Å; V204-V208 HydrophobicContact CB-CB 4.46Å; V204-V208 PolarHBondContact N-O 3.33Å; V204-V208 PolarHBondContact O-N 3.39Å; V204-V208 VanDerWaalsContact O-N 3.13Å; V204-F210 HydrophobicContact CG2-CD1 3.81Å; V204-F210 HydrophobicContact CG2-CE1 3.8Å; V204-V226 HydrophobicContact CG1-CG2 3.78Å; V204-V226 HydrophobicContact CG2-CG2 3.85Å; V204-V228 HydrophobicContact CB-CG2 4.28Å; V204-V228 HydrophobicContact CG1-CG2 3.96Å; V204-V228 HydrophobicContact CG2-CG2 3.93Å; V204-I245 HydrophobicContact CG2-CD1 3.46Å; V204-I245 VanDerWaalsContact CG2-CD1 3.46Å
205	D	88.6	Confident	88.5	Confident	69 Å²	69	61 Å²	61	37%	0.369	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	31.7	-178.7	-53.3	-28.5	0	0	0	113.3	F190 G192 V193 D207	F190-D205 WeakPolarHBondContact CE2-OD2 3.23Å; G192-D205 WeakPolarHBondContact CA-OD1 3.34Å; G192-D205 WeakPolarHBondContact CA-OD2 3.34Å; V193-D205 PolarHBondContact N-OD1 3.42Å; V193-D205 PolarHBondContact O-N 3.34Å; D205-D207 PolarHBondContact O-N 3.39Å
206	E	84.1	Confident	88.1	Confident	114 Å²	114	62.7 Å²	62.7	53%	0.533	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	-33.2	-177.5	-41.5	-148.2	137.7	0	0	116.2	N195 V204	N195-E206 HydrophobicContact CB-CG 4.15Å; N195-E206 WeakPolarHBondContact ND2-CG 3.39Å; N195-E206 PolarHBondContact ND2-OE1 2.87Å; V204-E206 PolarHBondContact O-N 3.01Å
207	D	82.1	Confident	87.8	Confident	117 Å²	117	61 Å²	61	63%	0.626	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.2	-175.8	-89.7	-11.5	0	0	0	115.4	D205	D205-D207 PolarHBondContact O-N 3.39Å
208	V	91.1	Very high	87.5	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	106.4	-170.7	-173.8	0	0	0	0	111.9	F190 F203 V204 V228 A230 W240 A242	F190-V208 HydrophobicContact CE1-CG2 4.23Å; F190-V208 HydrophobicContact CZ-CB 4.25Å; F190-V208 HydrophobicContact CZ-CG1 4.41Å; F190-V208 HydrophobicContact CZ-CG2 3.7Å; F203-V208 WeakPolarHBondContact CA-O 3.47Å; V204-V208 HydrophobicContact CB-CB 4.46Å; V204-V208 PolarHBondContact N-O 3.33Å; V204-V208 PolarHBondContact O-N 3.39Å; V204-V208 VanDerWaalsContact O-N 3.13Å; V208-V228 HydrophobicContact CG1-CG1 4.19Å; V208-A230 HydrophobicContact CG1-CB 3.74Å; V208-W240 HydrophobicContact CB-CB 4.35Å; V208-W240 HydrophobicContact CG1-CB 4.22Å; V208-W240 HydrophobicContact CG2-CB 3.81Å; V208-W240 HydrophobicContact CG2-CG 4.43Å; V208-A242 HydrophobicContact CG1-CB 4.31Å
209	F	93.4	Very high	87.5	Confident	33 Å²	33	63.6 Å²	63.6	15%	0.145	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	141.1	175.9	174	-97.9	0	0	0	111.6	F201 F203 Q211 F238 W240 N241 A242	F201-F209 HydrophobicContact CB-CE2 3.64Å; F201-F209 HydrophobicContact CB-CZ 3.82Å; F201-F209 HydrophobicContact CD2-CD2 4.21Å; F201-F209 AromaticContact CD2-CE2 3.59Å; F201-F209 HydrophobicContact CD2-CE2 3.59Å; F201-F209 HydrophobicContact CE2-CE2 4.38Å; F201-F209 AromaticContact CG-CE2 3.67Å; F201-F209 HydrophobicContact CG-CE2 3.67Å; F201-F209 HydrophobicContact CG-CZ 4.19Å; F203-F209 HydrophobicContact CD1-CB 4.22Å; F203-F209 HydrophobicContact CD1-CD2 4.47Å; F203-F209 HydrophobicContact CE1-CB 3.95Å; F203-F209 AromaticContact CE1-CD2 3.79Å; F203-F209 HydrophobicContact CE1-CD2 3.79Å; F203-F209 HydrophobicContact CE1-CG 4.38Å; F203-F209 AromaticContact CZ-CD2 3.88Å; F203-F209 HydrophobicContact CZ-CD2 3.88Å; F209-Q211 HydrophobicContact CE1-CG 3.93Å; F209-Q211 HydrophobicContact CZ-CG 4.04Å; F209-F238 HydrophobicContact CB-CB 3.69Å; F209-F238 HydrophobicContact CB-CD2 3.92Å; F209-F238 HydrophobicContact CB-CG 3.86Å; F209-F238 AromaticContact CD2-CD2 3.89Å; F209-F238 HydrophobicContact CD2-CD2 3.89Å; F209-F238 HydrophobicContact CD2-CE2 4.19Å; F209-F238 HydrophobicContact CG-CB 4.46Å; F209-F238 AromaticContact CG-CD2 3.94Å; F209-F238 HydrophobicContact CG-CD2 3.94Å; F209-F238 HydrophobicContact CG-CG 4.39Å; F209-W240 PolarHBondContact N-O 2.86Å; F209-W240 VanDerWaalsContact N-O 3.13Å; F209-N241 CarbonylContact O-C 3.41Å; F209-N241 WeakPolarHBondContact O-CA 3.35Å; F209-A242 PolarHBondContact O-N 3.33Å
210	F	93.7	Very high	88	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143	171.9	72.4	-91.3	0	0	0	112.3	V194 L197 F201 G202 V204 L212 V215 P220 A242 I245	V194-F210 HydrophobicContact CG1-CE1 4.16Å; V194-F210 HydrophobicContact CG1-CZ 4.08Å; V194-F210 HydrophobicContact CG2-CE1 4.21Å; V194-F210 HydrophobicContact CG2-CZ 4.2Å; L197-F210 HydrophobicContact CD1-CE2 4.01Å; L197-F210 HydrophobicContact CD1-CZ 3.69Å; F201-F210 CarbonylContact C-O 3.56Å; F201-F210 WeakPolarHBondContact CA-O 3.37Å; F201-F210 WeakPolarHBondContact CB-O 3.35Å; G202-F210 PolarHBondContact N-O 3.31Å; G202-F210 WeakPolarHBondContact O-CD1 3.49Å; G202-F210 PolarHBondContact O-N 3.07Å; V204-F210 HydrophobicContact CG2-CD1 3.81Å; V204-F210 HydrophobicContact CG2-CE1 3.8Å; F210-L212 HydrophobicContact CE2-CD2 4.41Å; F210-V215 HydrophobicContact CD2-CG2 4.2Å; F210-V215 HydrophobicContact CE2-CG2 4.01Å; F210-P220 HydrophobicContact CE2-CG 4.27Å; F210-P220 HydrophobicContact CZ-CG 4.16Å; F210-A242 HydrophobicContact CB-CB 3.62Å; F210-I245 HydrophobicContact CB-CD1 3.56Å; F210-I245 HydrophobicContact CB-CG1 4.14Å; F210-I245 HydrophobicContact CD1-CD1 3.34Å; F210-I245 HydrophobicContact CD2-CD1 3.75Å; F210-I245 HydrophobicContact CD2-CG1 4.44Å; F210-I245 HydrophobicContact CE1-CD1 3.79Å; F210-I245 HydrophobicContact CE2-CD1 4.17Å; F210-I245 HydrophobicContact CG-CD1 3.3Å; F210-I245 HydrophobicContact CG-CG1 4.23Å; F210-I245 HydrophobicContact CZ-CD1 4.18Å
211	Q	91.3	Very high	88.4	Confident	110 Å²	110	57.3 Å²	57.3	51%	0.514	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	152.6	165.1	-69.8	-177	-19	0	0	110.2	F209 S213 A214	F209-Q211 HydrophobicContact CE1-CG 3.93Å; F209-Q211 HydrophobicContact CZ-CG 4.04Å; Q211-S213 VanDerWaalsContact CB-OG 3.27Å; Q211-S213 WeakPolarHBondContact CB-OG 3.41Å; Q211-S213 PolarHBondContact O-N 3.34Å; Q211-S213 VanDerWaalsContact O-N 3.1Å; Q211-S213 PolarHBondContact OE1-OG 2.9Å; Q211-A214 WeakPolarHBondContact O-CB 3.38Å; Q211-A214 PolarHBondContact O-N 3.05Å
212	L	87.3	Confident	88.3	Confident	56 Å²	56	58.7 Å²	58.7	29%	0.293	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-59.5	-23	176	-74.1	175.1	0	0	0	113.2	L197 D199 T200 F210 A214 V215 T219	L197-L212 HydrophobicContact CD1-CD2 4.22Å; D199-L212 WeakPolarHBondContact O-CD1 3.45Å; T200-L212 PolarHBondContact O-N 3.09Å; F210-L212 HydrophobicContact CE2-CD2 4.41Å; L212-A214 PolarHBondContact O-N 3.23Å; L212-V215 HydrophobicContact CD2-CG2 4.17Å; L212-V215 WeakPolarHBondContact O-CB 3.28Å; L212-V215 PolarHBondContact O-N 2.95Å; L212-V215 VanDerWaalsContact O-N 3.1Å; L212-T219 HydrophobicContact CD2-CG2 3.9Å
213	S	88.7	Confident	88	Confident	83 Å²	83	60.7 Å²	60.7	58%	0.58	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-61	-26.5	171.2	53.6	0	0	0	0	114.4	Q211 V215 K216	Q211-S213 VanDerWaalsContact CB-OG 3.27Å; Q211-S213 WeakPolarHBondContact CB-OG 3.41Å; Q211-S213 PolarHBondContact O-N 3.34Å; Q211-S213 VanDerWaalsContact O-N 3.1Å; Q211-S213 PolarHBondContact OE1-OG 2.9Å; S213-V215 VanDerWaalsContact C-N 3.33Å; S213-K216 PolarHBondContact O-NZ 3.01Å
214	A	87.1	Confident	87.8	Confident	8 Å²	8	61 Å²	61	7%	0.066	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-78.1	-16.8	175.2	0	0	0	0	0	112.8	Q211 L212 A242 R244 I245	Q211-A214 WeakPolarHBondContact O-CB 3.38Å; Q211-A214 PolarHBondContact O-N 3.05Å; L212-A214 PolarHBondContact O-N 3.23Å; A214-A242 WeakPolarHBondContact CB-O 3.49Å; A214-R244 CarbonylContact O-C 3.59Å; A214-R244 WeakPolarHBondContact O-CA 3.3Å; A214-I245 PolarHBondContact O-N 3.01Å
215	V	90.3	Very high	87.7	Confident	19 Å²	19	68.4 Å²	68.4	12%	0.115	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-69.2	141.1	-179.5	-179.1	0	0	0	0	110.7	F210 L212 S213 P220 I245	F210-V215 HydrophobicContact CD2-CG2 4.2Å; F210-V215 HydrophobicContact CE2-CG2 4.01Å; L212-V215 HydrophobicContact CD2-CG2 4.17Å; L212-V215 WeakPolarHBondContact O-CB 3.28Å; L212-V215 PolarHBondContact O-N 2.95Å; L212-V215 VanDerWaalsContact O-N 3.1Å; S213-V215 VanDerWaalsContact C-N 3.33Å; V215-P220 HydrophobicContact CG2-CG 4.34Å; V215-I245 CarbonylContact C-O 3.55Å; V215-I245 WeakPolarHBondContact CA-O 3.34Å; V215-I245 HydrophobicContact CG2-CB 4.28Å; V215-I245 HydrophobicContact CG2-CG2 4.26Å
216	K	83.4	Confident	88	Confident	95 Å²	95	65.1 Å²	65.1	41%	0.413	36%	0.356	S	S	.	.			trans	-129.5	122.8	174.1	-56.9	-61.5	165.3	-135.8	0	109.4	S213 R244 I245	S213-K216 PolarHBondContact O-NZ 3.01Å; K216-R244 HydrophobicContact CB-CG 4.44Å; K216-R244 HydrophobicContact CG-CG 3.65Å; K216-I245 PolarHBondContact N-O 2.96Å
217	G	80.3	Confident	88.4	Confident	77 Å²	77	62.5 Å²	62.5	79%	0.794	35%	0.345	S	S	*	.	S	Bend	trans	93.7	-143.4	-174.5	0	0	0	0	0	112.2
218	K	83.3	Confident	89.1	Confident	125 Å²	125	57 Å²	57	54%	0.543	32%	0.315	S	S	.	.	S	Bend	trans	-65.3	138.5	178.4	-172.1	-161.3	170.2	-150.5	0	109.8	D224 T247	K218-D224 IonicContact NZ-OD2 2.75Å; K218-T247 WeakPolarHBondContact O-CG2 3.44Å
219	T	84.8	Confident	89.2	Confident	82 Å²	82	59.7 Å²	59.7	50%	0.503	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-59.1	125.7	169.4	-47.6	0	0	0	0	109.8	L212	L212-T219 HydrophobicContact CD2-CG2 3.9Å
220	P	88.4	Confident	89.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-68.8	149.1	176.2	30.2	-35.8	0	0	0	110.9	V194 L197 F210 V215 D224 V226 I245 T247	V194-P220 HydrophobicContact CG2-CB 3.87Å; V194-P220 HydrophobicContact CG2-CG 4.22Å; L197-P220 WeakPolarHBondContact CD2-O 3.5Å; F210-P220 HydrophobicContact CE2-CG 4.27Å; F210-P220 HydrophobicContact CZ-CG 4.16Å; V215-P220 HydrophobicContact CG2-CG 4.34Å; P220-D224 WeakPolarHBondContact CA-OD2 3.31Å; P220-D224 HydrophobicContact CB-CB 4.22Å; P220-V226 HydrophobicContact CB-CG1 3.84Å; P220-V226 HydrophobicContact CG-CG1 4.47Å; P220-I245 HydrophobicContact CG-CG2 4.31Å; P220-T247 HydrophobicContact CB-CG2 3.66Å
221	Q	89.1	Confident	89.2	Confident	124 Å²	124	58.6 Å²	58.6	58%	0.579	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-103.9	165	168.4	-65.4	-175.1	-38.7	0	0	110.5	G223 D224	Q221-G223 PolarHBondContact O-N 3.48Å; Q221-D224 PolarHBondContact N-OD2 3.25Å; Q221-D224 WeakPolarHBondContact O-CB 3.35Å; Q221-D224 PolarHBondContact O-N 3.22Å
222	V	89.5	Confident	89.2	Confident	92 Å²	92	57.1 Å²	57.1	56%	0.558	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	125.9	174.6	175.8	0	0	0	0	109.1	V194 N195 L197	V194-V222 CarbonylContact O-C 3.52Å; V194-V222 WeakPolarHBondContact O-CA 3.42Å; N195-V222 WeakPolarHBondContact O-CG1 3.38Å; L197-V222 HydrophobicContact CB-CG2 3.78Å
223	G	84.8	Confident	89	Confident	43 Å²	43	57.4 Å²	57.4	44%	0.443	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-12.4	-172.1	0	0	0	0	0	115.5	V194 Q221	V194-G223 PolarHBondContact O-N 3.49Å; Q221-G223 PolarHBondContact O-N 3.48Å
224	D	90.3	Very high	88.4	Confident	31 Å²	31	57 Å²	57	17%	0.166	31%	0.312	C	S	.	.			trans	-65.9	137.1	174.6	-83.9	-17.5	0	0	0	110.7	V194 K218 P220 Q221	V194-D224 PolarHBondContact N-O 2.9Å; V194-D224 VanDerWaalsContact N-O 3.11Å; K218-D224 IonicContact NZ-OD2 2.75Å; P220-D224 WeakPolarHBondContact CA-OD2 3.31Å; P220-D224 HydrophobicContact CB-CB 4.22Å; Q221-D224 PolarHBondContact N-OD2 3.25Å; Q221-D224 WeakPolarHBondContact O-CB 3.35Å; Q221-D224 PolarHBondContact O-N 3.22Å
225	R	90.8	Very high	87.8	Confident	157 Å²	157	63.7 Å²	63.7	59%	0.592	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.1	166.8	-80.5	-177.8	174.5	-118.1	-2.7	110.5	G192 V193 L248	G192-R225 WeakPolarHBondContact O-CA 3.33Å; V193-R225 HydrophobicContact CG2-CG 4.02Å; R225-L248 PolarHBondContact O-N 3.1Å
226	V	93.9	Very high	87.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.3	-176.1	-73.3	0	0	0	0	111.7	T191 G192 V194 V204 P220 V228 I245 Q246 T247	T191-V226 CarbonylContact C-O 3.55Å; T191-V226 VanDerWaalsContact CA-O 3.24Å; T191-V226 WeakPolarHBondContact CA-O 3.42Å; G192-V226 PolarHBondContact N-O 3.16Å; G192-V226 PolarHBondContact O-N 3.42Å; V194-V226 HydrophobicContact CG2-CB 4.5Å; V194-V226 HydrophobicContact CG2-CG1 3.83Å; V194-V226 HydrophobicContact CG2-CG2 3.78Å; V204-V226 HydrophobicContact CG1-CG2 3.78Å; V204-V226 HydrophobicContact CG2-CG2 3.85Å; P220-V226 HydrophobicContact CB-CG1 3.84Å; P220-V226 HydrophobicContact CG-CG1 4.47Å; V226-V228 HydrophobicContact CB-CG2 4.32Å; V226-V228 HydrophobicContact CG2-CG2 3.75Å; V226-I245 HydrophobicContact CB-CG2 3.94Å; V226-I245 HydrophobicContact CG1-CG2 3.75Å; V226-I245 HydrophobicContact CG2-CG2 4.46Å; V226-Q246 CarbonylContact C-O 3.44Å; V226-Q246 VanDerWaalsContact CA-O 3.31Å; V226-Q246 WeakPolarHBondContact CA-O 3.38Å; V226-T247 HydrophobicContact CG1-CG2 4.34Å
227	L	93.9	Very high	86.7	Confident	59 Å²	59	67.7 Å²	67.7	31%	0.309	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.5	160.9	-177.3	69.2	0	0	0	108.5	V189 T191 I245 Q246 L248	V189-L227 HydrophobicContact CG1-CD1 4.02Å; V189-L227 HydrophobicContact CG1-CG 4.45Å; T191-L227 HydrophobicContact CG2-CB 4.49Å; T191-L227 HydrophobicContact CG2-CD1 3.74Å; L227-I245 CarbonylContact O-C 3.57Å; L227-I245 WeakPolarHBondContact O-CA 3.42Å; L227-Q246 PolarHBondContact N-O 3.09Å; L227-Q246 PolarHBondContact O-N 2.97Å; L227-L248 HydrophobicContact CB-CD2 4.2Å; L227-L248 HydrophobicContact CB-CG 4.44Å
228	V	95.5	Very high	86.8	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.7	-172.2	-174.6	0	0	0	0	110.3	V189 F190 V204 V208 V226 A230 A242 R244 I245	V189-V228 VanDerWaalsContact CA-O 3.3Å; V189-V228 WeakPolarHBondContact CA-O 3.47Å; F190-V228 HydrophobicContact CD1-CB 4.18Å; F190-V228 HydrophobicContact CE1-CB 3.7Å; F190-V228 HydrophobicContact CE1-CG1 3.7Å; F190-V228 HydrophobicContact CZ-CB 3.89Å; F190-V228 HydrophobicContact CZ-CG1 3.96Å; F190-V228 HydrophobicContact CZ-CG2 4.28Å; F190-V228 PolarHBondContact N-O 3.37Å; F190-V228 PolarHBondContact O-N 3.14Å; V204-V228 HydrophobicContact CB-CG2 4.28Å; V204-V228 HydrophobicContact CG1-CG2 3.96Å; V204-V228 HydrophobicContact CG2-CG2 3.93Å; V208-V228 HydrophobicContact CG1-CG1 4.19Å; V226-V228 HydrophobicContact CB-CG2 4.32Å; V226-V228 HydrophobicContact CG2-CG2 3.75Å; V228-A230 HydrophobicContact CG1-CB 4.08Å; V228-A242 HydrophobicContact CG1-CB 3.75Å; V228-R244 WeakPolarHBondContact CA-O 3.37Å; V228-I245 HydrophobicContact CG1-CD1 4.36Å; V228-I245 HydrophobicContact CG1-CG1 4.18Å; V228-I245 HydrophobicContact CG2-CD1 4.04Å; V228-I245 HydrophobicContact CG2-CG1 4.17Å
229	E	94.4	Very high	87	Confident	58 Å²	58	68.1 Å²	68.1	27%	0.271	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	109.9	164.6	-60	174.5	-171.6	0	0	107.5	V189 A242 Q243 R244	V189-E229 HydrophobicContact CG1-CG 3.98Å; V189-E229 HydrophobicContact CG2-CB 4.4Å; V189-E229 HydrophobicContact CG2-CG 3.9Å; E229-A242 CarbonylContact O-C 3.54Å; E229-A242 WeakPolarHBondContact O-CA 3.44Å; E229-Q243 PolarHBondContact O-N 3.1Å; E229-R244 HydrophobicContact CB-CB 3.84Å; E229-R244 HydrophobicContact CG-CB 3.93Å; E229-R244 PolarHBondContact N-O 3.44Å; E229-R244 PolarHBondContact O-N 2.8Å; E229-R244 IonicContact OE1-CZ 2.79Å; E229-R244 IonicContact OE1-NE 2.75Å; E229-R244 PolarHBondContact OE1-NE 3.32Å; E229-R244 IonicContact OE1-NH2 3.93Å; E229-R244 WeakPolarHBondContact OE2-CB 3.48Å; E229-R244 IonicContact OE2-CZ 3.21Å; E229-R244 VanDerWaalsContact OE2-CZ 3.23Å; E229-R244 IonicContact OE2-NE 2.69Å; E229-R244 PolarHBondContact OE2-NE 2.88Å; E229-R244 IonicContact OE2-NH2 2.74Å; E229-R244 PolarHBondContact OE2-NH2 2.93Å
230	A	94.2	Very high	87.4	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147	-174.6	0	0	0	0	0	113	Q187 R188 F190 V208 V228 W240 N241	Q187-A230 CarbonylContact C-O 3.55Å; Q187-A230 WeakPolarHBondContact CA-O 3.47Å; R188-A230 HydrophobicContact CG-CB 4.41Å; R188-A230 PolarHBondContact N-O 3.5Å; R188-A230 PolarHBondContact O-N 3.24Å; F190-A230 HydrophobicContact CE1-CB 4.02Å; V208-A230 HydrophobicContact CG1-CB 3.74Å; V228-A230 HydrophobicContact CG1-CB 4.08Å; A230-W240 HydrophobicContact CB-CE3 4.11Å; A230-N241 WeakPolarHBondContact CA-O 3.13Å
231	V	92.6	Very high	87.6	Confident	10 Å²	10	67.9 Å²	67.9	6%	0.061	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.9	-174.8	-177.5	0	0	0	0	110.6	Q185 Q187 N241 Q243	Q185-V231 HydrophobicContact CB-CG1 3.7Å; Q185-V231 HydrophobicContact CG-CG1 4.31Å; Q187-V231 HydrophobicContact CB-CG2 4.17Å; Q187-V231 HydrophobicContact CG-CG1 4.26Å; Q187-V231 HydrophobicContact CG-CG2 3.71Å; V231-N241 PolarHBondContact N-O 3.18Å; V231-N241 PolarHBondContact O-N 2.61Å; V231-Q243 HydrophobicContact CB-CG 4.49Å; V231-Q243 HydrophobicContact CG2-CG 3.83Å
232	Y	90.1	Very high	87.8	Confident	80 Å²	80	62.6 Å²	62.6	31%	0.314	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.3	179.2	-169.3	-99.2	0	0	0	111	K186 P234 K239 W240	K186-Y232 WeakPolarHBondContact O-CB 3.29Å; K186-Y232 PolarHBondContact O-N 3.23Å; Y232-P234 HydrophobicContact CE1-CB 3.96Å; Y232-P234 HydrophobicContact CE1-CG 4.32Å; Y232-K239 CarbonylContact C-O 3.58Å; Y232-K239 VanDerWaalsContact CA-O 3.26Å; Y232-K239 WeakPolarHBondContact CA-O 3.44Å; Y232-K239 HydrophobicContact CD2-CB 4.25Å; Y232-K239 WeakPolarHBondContact CD2-O 3.47Å; Y232-K239 HydrophobicContact CE2-CB 3.73Å; Y232-K239 HydrophobicContact CE2-CD 4.48Å; Y232-W240 HydrophobicContact CD2-CD2 4.05Å; Y232-W240 AromaticContact CD2-CE2 3.68Å; Y232-W240 HydrophobicContact CD2-CG 4.44Å; Y232-W240 HydrophobicContact CD2-CH2 4.46Å; Y232-W240 AromaticContact CD2-CZ2 3.92Å; Y232-W240 HydrophobicContact CD2-CZ2 3.92Å; Y232-W240 AromaticContact CD2-NE1 3.86Å; Y232-W240 HydrophobicContact CG-CZ2 4.47Å
233	N	83.6	Confident	87.9	Confident	61 Å²	61	63.3 Å²	63.3	33%	0.326	32%	0.323	S	S	.	.			trans	-132.7	106.7	172.5	-174.8	-8.8	0	0	0	109.2	N235 M236 K239	N233-N235 PolarHBondContact O-N 3.27Å; N233-N235 PolarHBondContact OD1-N 3.1Å; N233-N235 VanDerWaalsContact OD1-N 3.09Å; N233-M236 HydrophobicContact CB-CG 4.22Å; N233-M236 WeakPolarHBondContact ND2-CG 3.39Å; N233-M236 PolarHBondContact O-N 3.05Å; N233-K239 PolarHBondContact N-O 3.46Å
234	P	77.4	Confident	88.3	Confident	75 Å²	75	65.7 Å²	65.7	49%	0.487	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.4	-177.5	29.2	-34.6	0	0	0	113.7	Y232	Y232-P234 HydrophobicContact CE1-CB 3.96Å; Y232-P234 HydrophobicContact CE1-CG 4.32Å
235	N	73.6	Confident	88.4	Confident	148 Å²	148	64.2 Å²	64.2	79%	0.791	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	3.6	-175.7	-60.2	-5.3	0	0	0	112.9	N233	N233-N235 PolarHBondContact O-N 3.27Å; N233-N235 PolarHBondContact OD1-N 3.1Å; N233-N235 VanDerWaalsContact OD1-N 3.09Å
236	M	78.3	Confident	88.5	Confident	84 Å²	84	61.1 Å²	61.1	41%	0.414	30%	0.303	S	S	.	.	S	Bend	trans	-107.3	149.4	176.1	-71.7	-67	-68.8	0	0	110.6	N233 F238	N233-M236 HydrophobicContact CB-CG 4.22Å; N233-M236 WeakPolarHBondContact ND2-CG 3.39Å; N233-M236 PolarHBondContact O-N 3.05Å; M236-F238 WeakPolarHBondContact CB-O 3.39Å; M236-F238 PolarHBondContact O-N 2.92Å
237	P	71.6	Confident	88.3	Confident	114 Å²	114	62.4 Å²	62.4	74%	0.74	31%	0.311	S	S	*	.	S	Bend	trans	-55.4	-40	176.2	-25.8	34.7	0	0	0	112.7
238	F	83.1	Confident	87.9	Confident	89 Å²	89	62.9 Å²	62.9	39%	0.39	31%	0.314	S	S	.	.	S	Bend	trans	-95.3	114.6	169.6	-55.5	-65.2	0	0	0	109.2	F203 F209 M236 W240 N241	F203-F238 AromaticContact CE1-CD1 3.79Å; F203-F238 HydrophobicContact CE1-CD1 3.79Å; F203-F238 HydrophobicContact CE1-CD2 4.14Å; F203-F238 AromaticContact CE1-CE1 3.58Å; F203-F238 HydrophobicContact CE1-CE1 3.58Å; F203-F238 AromaticContact CE1-CE2 3.95Å; F203-F238 HydrophobicContact CE1-CE2 3.95Å; F203-F238 HydrophobicContact CE1-CG 4.07Å; F203-F238 AromaticContact CE1-CZ 3.68Å; F203-F238 HydrophobicContact CE1-CZ 3.68Å; F203-F238 HydrophobicContact CZ-CD2 4.46Å; F203-F238 AromaticContact CZ-CE1 3.93Å; F203-F238 HydrophobicContact CZ-CE1 3.93Å; F203-F238 AromaticContact CZ-CE2 3.86Å; F203-F238 HydrophobicContact CZ-CE2 3.86Å; F203-F238 AromaticContact CZ-CZ 3.57Å; F203-F238 HydrophobicContact CZ-CZ 3.57Å; F209-F238 HydrophobicContact CB-CB 3.69Å; F209-F238 HydrophobicContact CB-CD2 3.92Å; F209-F238 HydrophobicContact CB-CG 3.86Å; F209-F238 AromaticContact CD2-CD2 3.89Å; F209-F238 HydrophobicContact CD2-CD2 3.89Å; F209-F238 HydrophobicContact CD2-CE2 4.19Å; F209-F238 HydrophobicContact CG-CB 4.46Å; F209-F238 AromaticContact CG-CD2 3.94Å; F209-F238 HydrophobicContact CG-CD2 3.94Å; F209-F238 HydrophobicContact CG-CG 4.39Å; M236-F238 WeakPolarHBondContact CB-O 3.39Å; M236-F238 PolarHBondContact O-N 2.92Å; F238-W240 VanDerWaalsContact C-N 3.3Å; F238-W240 PolarHBondContact O-N 3.39Å; F238-N241 PolarHBondContact O-ND2 2.96Å
239	K	88	Confident	86.7	Confident	123 Å²	123	69.1 Å²	69.1	54%	0.535	35%	0.354	S	S	.	.	S	Bend	trans	-70.9	-24.6	-172.6	-66.7	173.9	-177.8	169.5	0	113.1	Y232 N233	Y232-K239 CarbonylContact C-O 3.58Å; Y232-K239 VanDerWaalsContact CA-O 3.26Å; Y232-K239 WeakPolarHBondContact CA-O 3.44Å; Y232-K239 HydrophobicContact CD2-CB 4.25Å; Y232-K239 WeakPolarHBondContact CD2-O 3.47Å; Y232-K239 HydrophobicContact CE2-CB 3.73Å; Y232-K239 HydrophobicContact CE2-CD 4.48Å; N233-K239 PolarHBondContact N-O 3.46Å
240	W	92.4	Very high	84.7	Confident	48 Å²	48	73.3 Å²	73.3	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.8	173.7	-73.6	104.2	0	0	0	110.7	K186 R188 V208 F209 A230 Y232 F238	K186-W240 HydrophobicContact CB-CH2 4.44Å; K186-W240 VanDerWaalsContact O-CZ3 3.28Å; K186-W240 WeakPolarHBondContact O-CZ3 3.4Å; R188-W240 HydrophobicContact CB-CH2 4.22Å; R188-W240 HydrophobicContact CB-CZ3 4.19Å; R188-W240 HydrophobicContact CG-CE3 4.01Å; R188-W240 HydrophobicContact CG-CH2 3.81Å; R188-W240 HydrophobicContact CG-CZ2 4.48Å; R188-W240 HydrophobicContact CG-CZ3 3.53Å; V208-W240 HydrophobicContact CB-CB 4.35Å; V208-W240 HydrophobicContact CG1-CB 4.22Å; V208-W240 HydrophobicContact CG2-CB 3.81Å; V208-W240 HydrophobicContact CG2-CG 4.43Å; F209-W240 PolarHBondContact N-O 2.86Å; F209-W240 VanDerWaalsContact N-O 3.13Å; A230-W240 HydrophobicContact CB-CE3 4.11Å; Y232-W240 HydrophobicContact CD2-CD2 4.05Å; Y232-W240 AromaticContact CD2-CE2 3.68Å; Y232-W240 HydrophobicContact CD2-CG 4.44Å; Y232-W240 HydrophobicContact CD2-CH2 4.46Å; Y232-W240 AromaticContact CD2-CZ2 3.92Å; Y232-W240 HydrophobicContact CD2-CZ2 3.92Å; Y232-W240 AromaticContact CD2-NE1 3.86Å; Y232-W240 HydrophobicContact CG-CZ2 4.47Å; F238-W240 VanDerWaalsContact C-N 3.3Å; F238-W240 PolarHBondContact O-N 3.39Å
241	N	92.1	Very high	82.3	Confident	29 Å²	29	81.5 Å²	81.5	16%	0.155	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.4	-177.7	-63.4	-98.1	0	0	0	109.3	F209 A230 V231 F238	F209-N241 CarbonylContact O-C 3.41Å; F209-N241 WeakPolarHBondContact O-CA 3.35Å; A230-N241 WeakPolarHBondContact CA-O 3.13Å; V231-N241 PolarHBondContact N-O 3.18Å; V231-N241 PolarHBondContact O-N 2.61Å; F238-N241 PolarHBondContact O-ND2 2.96Å
242	A	93.6	Very high	79.6	Confident	12 Å²	12	85.3 Å²	85.3	10%	0.099	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.5	178.8	0	0	0	0	0	111.9	V208 F209 F210 A214 V228 E229 I245	V208-A242 HydrophobicContact CG1-CB 4.31Å; F209-A242 PolarHBondContact O-N 3.33Å; F210-A242 HydrophobicContact CB-CB 3.62Å; A214-A242 WeakPolarHBondContact CB-O 3.49Å; V228-A242 HydrophobicContact CG1-CB 3.75Å; E229-A242 CarbonylContact O-C 3.54Å; E229-A242 WeakPolarHBondContact O-CA 3.44Å; A242-I245 HydrophobicContact CB-CD1 4.11Å; A242-I245 HydrophobicContact CB-CG1 3.82Å
243	Q	92.3	Very high	76.8	Confident	107 Å²	107	89.7 Å²	89.7	50%	0.5	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-24.3	169.1	-68.2	-174.1	-7	0	0	112.1	E229 V231	E229-Q243 PolarHBondContact O-N 3.1Å; V231-Q243 HydrophobicContact CB-CG 4.49Å; V231-Q243 HydrophobicContact CG2-CG 3.83Å
244	R	92.1	Very high	74.4	Confident	94 Å²	94	96 Å²	96	36%	0.355	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.1	169.4	-157.3	-170	-47.9	-69.2	-25.4	111.2	A214 K216 V228 E229	A214-R244 CarbonylContact O-C 3.59Å; A214-R244 WeakPolarHBondContact O-CA 3.3Å; K216-R244 HydrophobicContact CB-CG 4.44Å; K216-R244 HydrophobicContact CG-CG 3.65Å; V228-R244 WeakPolarHBondContact CA-O 3.37Å; E229-R244 HydrophobicContact CB-CB 3.84Å; E229-R244 HydrophobicContact CG-CB 3.93Å; E229-R244 PolarHBondContact N-O 3.44Å; E229-R244 PolarHBondContact O-N 2.8Å; E229-R244 IonicContact OE1-CZ 2.79Å; E229-R244 IonicContact OE1-NE 2.75Å; E229-R244 PolarHBondContact OE1-NE 3.32Å; E229-R244 IonicContact OE1-NH2 3.93Å; E229-R244 WeakPolarHBondContact OE2-CB 3.48Å; E229-R244 IonicContact OE2-CZ 3.21Å; E229-R244 VanDerWaalsContact OE2-CZ 3.23Å; E229-R244 IonicContact OE2-NE 2.69Å; E229-R244 PolarHBondContact OE2-NE 2.88Å; E229-R244 IonicContact OE2-NH2 2.74Å; E229-R244 PolarHBondContact OE2-NH2 2.93Å
245	I	94	Very high	72.1	Confident	0 Å²	0	98 Å²	98	0%	0	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.3	164.8	-70.9	-150.9	0	0	0	109.7	V204 F210 A214 V215 K216 P220 V226 L227 V228 A242	V204-I245 HydrophobicContact CG2-CD1 3.46Å; V204-I245 VanDerWaalsContact CG2-CD1 3.46Å; F210-I245 HydrophobicContact CB-CD1 3.56Å; F210-I245 HydrophobicContact CB-CG1 4.14Å; F210-I245 HydrophobicContact CD1-CD1 3.34Å; F210-I245 HydrophobicContact CD2-CD1 3.75Å; F210-I245 HydrophobicContact CD2-CG1 4.44Å; F210-I245 HydrophobicContact CE1-CD1 3.79Å; F210-I245 HydrophobicContact CE2-CD1 4.17Å; F210-I245 HydrophobicContact CG-CD1 3.3Å; F210-I245 HydrophobicContact CG-CG1 4.23Å; F210-I245 HydrophobicContact CZ-CD1 4.18Å; A214-I245 PolarHBondContact O-N 3.01Å; V215-I245 CarbonylContact C-O 3.55Å; V215-I245 WeakPolarHBondContact CA-O 3.34Å; V215-I245 HydrophobicContact CG2-CB 4.28Å; V215-I245 HydrophobicContact CG2-CG2 4.26Å; K216-I245 PolarHBondContact N-O 2.96Å; P220-I245 HydrophobicContact CG-CG2 4.31Å; V226-I245 HydrophobicContact CB-CG2 3.94Å; V226-I245 HydrophobicContact CG1-CG2 3.75Å; V226-I245 HydrophobicContact CG2-CG2 4.46Å; L227-I245 CarbonylContact O-C 3.57Å; L227-I245 WeakPolarHBondContact O-CA 3.42Å; V228-I245 HydrophobicContact CG1-CD1 4.36Å; V228-I245 HydrophobicContact CG1-CG1 4.18Å; V228-I245 HydrophobicContact CG2-CD1 4.04Å; V228-I245 HydrophobicContact CG2-CG1 4.17Å; A242-I245 HydrophobicContact CB-CD1 4.11Å; A242-I245 HydrophobicContact CB-CG1 3.82Å
246	Q	92	Very high	70.2	Confident	91 Å²	91	98.6 Å²	98.6	43%	0.425	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	123.7	176.7	-179.7	172.2	-10.3	0	0	110.9	V226 L227	V226-Q246 CarbonylContact C-O 3.44Å; V226-Q246 VanDerWaalsContact CA-O 3.31Å; V226-Q246 WeakPolarHBondContact CA-O 3.38Å; L227-Q246 PolarHBondContact N-O 3.09Å; L227-Q246 PolarHBondContact O-N 2.97Å
247	T	89.4	Confident	67.8	Low	27 Å²	27	103.9 Å²	103.9	17%	0.166	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	132.1	174.6	50.7	0	0	0	0	111.6	K218 P220 V226	K218-T247 WeakPolarHBondContact O-CG2 3.44Å; P220-T247 HydrophobicContact CB-CG2 3.66Å; V226-T247 HydrophobicContact CG1-CG2 4.34Å
248	L	85.5	Confident	65.7	Low	70 Å²	70	106 Å²	106	37%	0.366	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-94.7	136.1	174.9	-63.1	175.8	0	0	0	110.5	T191 R225 L227 Q250	T191-L248 HydrophobicContact CG2-CD1 3.79Å; R225-L248 PolarHBondContact O-N 3.1Å; L227-L248 HydrophobicContact CB-CD2 4.2Å; L227-L248 HydrophobicContact CB-CG 4.44Å; L248-Q250 PolarHBondContact O-N 3.19Å
249	P	70.4	Confident	63	Low	130 Å²	130	109.8 Å²	109.8	84%	0.844	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-63.2	123.3	177.1	-22.4	33.8	0	0	0	111.9
250	Q	52	Low	60.7	Low	146 Å²	146	108.7 Å²	108.7	68%	0.682	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-86.2	119	179	-170.4	159.3	-17.6	0	0	110.6	L248 A252	L248-Q250 PolarHBondContact O-N 3.19Å; Q250-A252 PolarHBondContact O-N 2.85Å
251	L	44	Very low	57.5	Low	173 Å²	173	114.8 Å²	114.8	91%	0.906	60%	0.602	S	S	*	*			trans	-67.4	114.5	173	-77	165.5	0	0	0	109.5
252	A	36.6	Very low	54.7	Low	91 Å²	91	118.9 Å²	118.9	75%	0.752	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-82.7	133.1	-177.8	0	0	0	0	0	112.1	Q250	Q250-A252 PolarHBondContact O-N 2.85Å
253	N	31.7	Very low	51.4	Low	172 Å²	172	126 Å²	126	92%	0.92	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-71	138.3	166.3	-109.8	-26.6	0	0	0	109.9
254	Q	31.6	Very low	48.8	Very low	194 Å²	194	126.4 Å²	126.4	91%	0.907	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-92.5	140.2	180	-66.9	-174	21	0	0	112.8
255	S	30.8	Very low	45.7	Very low	116 Å²	116	131 Å²	131	81%	0.811	70%	0.703	S	S	*	*			trans	-146.9	155.7	155.8	58.5	0	0	0	0	110.5
256	L	33.1	Very low	42.5	Very low	161 Å²	161	135.6 Å²	135.6	84%	0.843	74%	0.741	S	S	*	*			trans	-71.1	146.7	-150.1	-72.4	61.7	0	0	0	117.3
257	Q	27.7	Very low	39.4	Very low	195 Å²	195	136.8 Å²	136.8	91%	0.911	76%	0.759	S	S	*	*				-159.1	-176.4	118.7	-107.5	175.7	15.8	0	0	112.4
258	Q	28.4	Very low	37.5	Very low	157 Å²	157	140.9 Å²	140.9	73%	0.734	79%	0.787	S	S	*	*			trans	-117.7	153.1	-140.9	-60.6	-177.6	-2	0	0	119.3
259	Q	24.8	Very low	34.7	Very low	169 Å²	169	145.7 Å²	145.7	79%	0.79	81%	0.807	S	S	*	*			trans	70.3	161.7	145.9	-82.1	-172.5	24	0	0	121.4
260	P	41	Very low	32.8	Very low	100 Å²	100	147.4 Å²	147.4	65%	0.649	81%	0.808	S	S	*	*			cis	-140.2	-174.4	-28.8	38.2	-19.4	0	0	0	116.2
261	Q	24	Very low	31.6	Very low	177 Å²	177	144 Å²	144	83%	0.827	81%	0.813	S	S	*	*			trans	81.4	151.7	164.5	-57.9	-100.7	-13.6	0	0	119.1
262	P	34.3	Very low	30.9	Very low	115 Å²	115	141.1 Å²	141.1	75%	0.747	81%	0.807	S	S	*	*			cis	-130.4	-173.7	-36.2	36.5	-18.4	0	0	0	114.6
263	L	23.4	Very low	30.5	Very low	162 Å²	162	143.7 Å²	143.7	85%	0.848	81%	0.807	S	S	*	*			trans	-89.5	166.5	-170	-81.9	154.5	0	0	0	116
264	P	38.3	Very low	30.6	Very low	115 Å²	115	145 Å²	145	75%	0.747	80%	0.8	S	S	*	*				-141.2	142.2	100.7	37.8	-24.9	0	0	0	117.1
265	Q	27.9	Very low	30.5	Very low	189 Å²	189	142.7 Å²	142.7	88%	0.883	79%	0.794	S	S	*	*			trans	33.4	138.9	144.9	-63.2	175.1	-20.2	0	0	121
266	A	25.7	Very low	30.4	Very low	97 Å²	97	144.8 Å²	144.8	80%	0.802	79%	0.792	S	S	*	*			cis	-153.3	178	44.5	0	0	0	0	0	115.7
267	S	26.3	Very low	31	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	79%	0.788	S	S	*	*			trans	-149.2	-173.1	-173.9	-46.1	0	0	0	0	108.6
268	P	51	Low	31	Very low	114 Å²	114	137 Å²	137	74%	0.74	78%	0.78	S	S	*	*			cis	-142.1	178.9	2.5	44.4	-26.8	0	0	0	117
269	Q	26.2	Very low	31.2	Very low	171 Å²	171	137.5 Å²	137.5	80%	0.799	79%	0.785	S	S	*	*				-174.6	137	119.9	-102.2	179.9	3.7	0	0	112.5
270	L	30.4	Very low	31.4	Very low	166 Å²	166	136.5 Å²	136.5	87%	0.869	78%	0.78	S	S	*	*			trans	51.3	130	157.1	-55.8	164.3	0	0	0	119.1
271	G	26.5	Very low	30.9	Very low	75 Å²	75	138.3 Å²	138.3	77%	0.773	78%	0.783	S	S	*	*			cis	113.2	139.1	0.4	0	0	0	0	0	113.4
272	S	29.3	Very low	31.2	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	78%	0.783	S	S	*	*			cis	-171.7	170.4	-15.5	-164.5	0	0	0	0	110.9
273	L	29	Very low	30.8	Very low	145 Å²	145	145 Å²	145	76%	0.759	79%	0.788	S	S	*	*			trans	74	149.3	162	-57.1	-175.5	0	0	0	120.6
274	Y	32.5	Very low	31	Very low	199 Å²	199	142.6 Å²	142.6	78%	0.78	78%	0.78	S	S	*	*			cis	-174.8	167.4	-33.4	-133.6	-130.2	0	0	0	113.8
275	N	29.6	Very low	30.5	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	78%	0.779	S	S	*	*			trans	93.6	147.7	142.6	-113.3	16	0	0	0	126.8
276	E	28.6	Very low	30.6	Very low	161 Å²	161	141.1 Å²	141.1	75%	0.752	77%	0.769	S	S	*	*			trans	-94.8	-161.7	169.7	-132.1	-150.4	105.7	0	0	110.1
277	P	46.8	Very low	30.9	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	77%	0.765	S	S	*	*			cis	-140.8	-172.6	11.2	44.3	-24.2	0	0	0	118
278	G	27.6	Very low	31	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	76%	0.763	S	S	*	*			trans	174.5	120.4	159	0	0	0	0	0	120
279	M	33.3	Very low	29.9	Very low	169 Å²	169	142.7 Å²	142.7	83%	0.833	77%	0.765	S	S	*	*			trans	-88.7	136.5	-172.5	-96.4	-175.8	171.4	0	0	118.4
280	Q	28.6	Very low	30.1	Very low	148 Å²	148	138.7 Å²	138.7	69%	0.692	76%	0.762	S	S	*	*				45.9	131.3	107.1	-151.5	178.1	34	0	0	122
281	L	30.6	Very low	30.1	Very low	137 Å²	137	138 Å²	138	72%	0.717	76%	0.759	S	S	*	*				162.7	135.4	121.4	-84.9	164.3	0	0	0	118.1
282	R	28.8	Very low	30.2	Very low	216 Å²	216	140.5 Å²	140.5	82%	0.815	76%	0.755	S	S	*	*			trans	57	114.2	140.8	-74	-179.4	-175.1	-158.4	1.9	125.9
283	Y	26.5	Very low	30.1	Very low	216 Å²	216	144.5 Å²	144.5	85%	0.847	75%	0.753	S	S	*	*				67.2	150.9	116.2	-95.6	-87.3	0	0	0	125.5
284	T	28.7	Very low	30	Very low	112 Å²	112	145 Å²	145	69%	0.687	75%	0.751	S	S	*	*			trans	81.1	119.3	154.8	30.4	0	0	0	0	122.7
285	D	27.4	Very low	29.7	Very low	136 Å²	136	142.1 Å²	142.1	73%	0.727	75%	0.749	S	S	*	*			trans	82.8	110.8	136.5	-60	-34.3	0	0	0	126
286	M	29.1	Very low	29.7	Very low	137 Å²	137	139.4 Å²	139.4	68%	0.675	74%	0.742	S	S	*	*				69.9	109.5	122.7	-60.1	-80	85.4	0	0	123.3
287	H	31.6	Very low	29.6	Very low	154 Å²	154	140.9 Å²	140.9	71%	0.713	75%	0.748	S	S	*	*			trans	59.9	112.1	137.1	-67.1	-51.4	0	0	0	123.3
288	S	28.8	Very low	28.8	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	75%	0.746	S	S	*	*				36.3	125.4	124.5	-49.9	0	0	0	0	121.3
289	A	29.1	Very low	28.8	Very low	95 Å²	95	144.6 Å²	144.6	79%	0.785	75%	0.751	S	S	*	*				176.3	156.9	87.5	0	0	0	0	0	115
290	A	29.2	Very low	28.6	Very low	87 Å²	87	140.8 Å²	140.8	72%	0.719	75%	0.747	S	S	*	*			trans	61.1	134.3	149.6	0	0	0	0	0	123.2
291	D	31.7	Very low	28.6	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	75%	0.751	S	S	*	*			trans	35.5	139.8	140.8	-61.8	-41.6	0	0	0	121.3
292	N	26.5	Very low	28.6	Very low	129 Å²	129	139.9 Å²	139.9	69%	0.69	76%	0.756	S	S	*	*				-171.8	154.9	65.2	-139.9	-21.3	0	0	0	116
293	R	27.9	Very low	28.9	Very low	195 Å²	195	136.7 Å²	136.7	74%	0.736	75%	0.752	S	S	*	*			trans	23.1	130.5	146.7	-78.1	168.4	-170.7	-160.3	3	124.8
294	Q	27.3	Very low	29.2	Very low	155 Å²	155	133.2 Å²	133.2	72%	0.724	75%	0.747	S	S	*	*				85.8	134.9	123.2	-70.7	173.6	-54.9	0	0	124.4
295	N	26.7	Very low	29.2	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	75%	0.75	S	S	*	*			trans	86.3	106.2	139.7	-91.2	22.7	0	0	0	124.8
296	S	28.3	Very low	29.2	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	76%	0.756	S	S	*	*				90.7	140.9	110.6	-66.4	0	0	0	0	124.6
297	Q	27.6	Very low	28.9	Very low	191 Å²	191	133.3 Å²	133.3	89%	0.893	76%	0.759	S	S	*	*			trans	66.9	156.2	161.5	-68	170.7	-74.3	0	0	118.1
298	A	29.4	Very low	30.4	Very low	87 Å²	87	131.3 Å²	131.3	72%	0.719	76%	0.76	S	S	*	*			cis	-171.5	-173.7	-29.6	0	0	0	0	0	107.5
299	Q	27.7	Very low	30.4	Very low	183 Å²	183	131.9 Å²	131.9	86%	0.855	76%	0.759	S	S	*	*			cis	-152.2	160.5	7.4	-54.8	173.3	-96.7	0	0	110.9
300	A	28.8	Very low	30.5	Very low	89 Å²	89	135 Å²	135	74%	0.736	76%	0.759	S	S	*	*			trans	64.9	151	149.9	0	0	0	0	0	120
301	S	29.7	Very low	30.5	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	76%	0.762	S	S	*	*			cis	-144.4	172.5	31	-61.3	0	0	0	0	115.1
302	N	30.7	Very low	30.4	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	76%	0.759	S	S	*	*			trans	-134.2	172.6	-169.3	-74.8	-93.9	0	0	0	111.5
303	M	34.2	Very low	30.5	Very low	149 Å²	149	136.8 Å²	136.8	73%	0.734	76%	0.759	S	S	*	*			cis	-132.4	-119.3	9.4	-162.9	-159.9	-166.5	0	0	112.1	K305	M303-K305 HydrophobicContact SD-CG 4.03Å
304	I	32.3	Very low	30.5	Very low	142 Å²	142	135.4 Å²	135.4	73%	0.728	77%	0.765	S	S	*	*			cis	-147.4	123.3	11.2	-70.4	173.2	0	0	0	110.6
305	K	29.8	Very low	31.7	Very low	175 Å²	175	133.3 Å²	133.3	76%	0.761	77%	0.765	S	S	*	*			trans	44.3	148.7	146.6	-54.4	176.3	-175.4	177.5	0	120.5	M303	M303-K305 HydrophobicContact SD-CG 4.03Å
306	S	26.6	Very low	33.7	Very low	122 Å²	122	132.8 Å²	132.8	85%	0.853	77%	0.769	S	S	*	*			cis	-154.3	177.3	20.8	54.3	0	0	0	0	113
307	A	23.5	Very low	34.8	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	77%	0.773	S	S	*	*			trans	-159.7	-166.8	-177	0	0	0	0	0	109.1
308	P	63.5	Low	35.1	Very low	113 Å²	113	130.7 Å²	130.7	73%	0.734	77%	0.768	S	S	*	*				-127.7	-145.3	-55.7	34.3	-14.4	0	0	0	111.4
309	T	27.9	Very low	35.3	Very low	122 Å²	122	131.5 Å²	131.5	75%	0.748	76%	0.764	S	S	*	*			trans	93.3	150	155.9	-39.5	0	0	0	0	117.5
310	M	31.4	Very low	35.4	Very low	161 Å²	161	131.7 Å²	131.7	79%	0.793	76%	0.762	S	S	*	*			cis	-170.2	-177.7	-44.6	-90	-131.5	-65.3	0	0	109.6
311	L	29.7	Very low	35.8	Very low	147 Å²	147	131.7 Å²	131.7	77%	0.77	76%	0.757	S	S	*	*			trans	107.1	163.3	156.4	-56.5	170.4	0	0	0	118.5
312	Q	29.5	Very low	36.3	Very low	162 Å²	162	132 Å²	132	76%	0.757	75%	0.754	S	S	*	*				-167.8	160	-56	-164.3	161.7	0.2	0	0	111.7
313	S	28.5	Very low	36.6	Very low	96 Å²	96	132 Å²	132	67%	0.671	75%	0.749	S	S	*	*			trans	69.2	117.5	154.6	49.6	0	0	0	0	124.4
314	L	27.5	Very low	36.7	Very low	165 Å²	165	128.9 Å²	128.9	86%	0.864	75%	0.747	S	S	*	*				37.2	158.8	113.2	-59.5	168.2	0	0	0	122.1
315	P	51.8	Low	37.1	Very low	112 Å²	112	129.5 Å²	129.5	73%	0.727	75%	0.746	S	S	*	*			cis	-139.5	172.7	-42.7	40.2	-23.2	0	0	0	115.2
316	P	69.2	Low	37.4	Very low	127 Å²	127	125.2 Å²	125.2	83%	0.825	74%	0.743	S	S	*	*			trans	-116	150	-178.8	39.2	-30.2	0	0	0	117.1
317	P	52	Low	38.3	Very low	110 Å²	110	125.1 Å²	125.1	71%	0.714	74%	0.74	S	S	*	*			trans	-140.2	145.1	-179.6	40.8	-23.6	0	0	0	120.2
318	T	33.3	Very low	40.1	Very low	127 Å²	127	126.7 Å²	126.7	78%	0.779	74%	0.743	S	S	*	*			trans	60.8	151.3	141	59.8	0	0	0	0	122.6
319	T	33.4	Very low	39.7	Very low	104 Å²	104	126.5 Å²	126.5	64%	0.638	74%	0.741	S	S	*	*			cis	-165.7	164.8	-10.6	23.3	0	0	0	0	107.3
320	F	30.9	Very low	40.1	Very low	186 Å²	186	125.7 Å²	125.7	82%	0.816	74%	0.741	S	S	*	*			cis	-138.1	138	34.3	-102.3	-106.5	0	0	0	108.8
321	S	35.5	Very low	40.3	Very low	89 Å²	89	125.9 Å²	125.9	62%	0.622	74%	0.744	S	S	*	*			cis	68.7	128.3	42.1	-158.5	0	0	0	0	112.3
322	V	40.3	Very low	40.3	Very low	121 Å²	121	125.8 Å²	125.8	73%	0.733	74%	0.744	S	S	*	*			cis	-142.9	164	10	87.3	0	0	0	0	106.6
323	Q	37.2	Very low	40.3	Very low	153 Å²	153	126.8 Å²	126.8	72%	0.715	75%	0.748	S	S	*	*			cis	-140.5	-163.5	25.6	-128.9	172.7	-63.7	0	0	107.5
324	A	37.1	Very low	40.3	Very low	83 Å²	83	126.3 Å²	126.3	69%	0.686	75%	0.75	S	S	*	*			cis	-141	-121.4	11	0	0	0	0	0	114.5
325	Q	40.5	Very low	40.3	Very low	154 Å²	154	127.7 Å²	127.7	72%	0.72	75%	0.752	S	S	*	*			trans	-159.5	170.8	-143.4	-79.1	145.7	-97.4	0	0	111.1
326	A	35.4	Very low	39.2	Very low	85 Å²	85	130.8 Å²	130.8	70%	0.702	76%	0.762	S	S	*	*			cis	173.4	174.9	-25.3	0	0	0	0	0	107.6
327	P	46.1	Very low	37.3	Very low	121 Å²	121	129.8 Å²	129.8	79%	0.786	76%	0.758	S	S	*	*			cis	-120.9	169.3	-16.6	16.2	8.2	0	0	0	115.5
328	P	61.2	Low	36.2	Very low	122 Å²	122	129.2 Å²	129.2	79%	0.792	76%	0.762	S	S	*	*			trans	-101.8	-157.7	-177.5	44.3	-38.4	0	0	0	113.3
329	P	55.6	Low	35.8	Very low	109 Å²	109	128 Å²	128	71%	0.708	77%	0.765	S	S	*	*			cis	-148.9	-166.7	5.9	45.9	-24.5	0	0	0	119.6
330	S	35.8	Very low	35.4	Very low	106 Å²	106	128 Å²	128	74%	0.741	77%	0.769	S	S	*	*			trans	83.4	166.3	153.6	81	0	0	0	0	120.2
331	L	35.3	Very low	35.2	Very low	164 Å²	164	127.3 Å²	127.3	86%	0.859	77%	0.773	S	S	*	*			cis	-137.8	-121.9	3.7	-163.8	57.8	0	0	0	115.6
332	L	31	Very low	34.9	Very low	146 Å²	146	127.3 Å²	127.3	76%	0.764	78%	0.779	S	S	*	*			trans	-160.8	168.6	-159.2	-152.5	123.5	0	0	0	118.1
333	Q	28.6	Very low	35.1	Very low	182 Å²	182	127 Å²	127	85%	0.85	78%	0.779	S	S	*	*			trans	85.5	160.7	165.8	-118.3	159.4	-111.5	0	0	117.4
334	A	28.5	Very low	34.5	Very low	86 Å²	86	126.8 Å²	126.8	71%	0.711	78%	0.782	S	S	*	*			cis	-154.3	-172.4	9.8	0	0	0	0	0	114.3
335	Q	27.8	Very low	34	Very low	195 Å²	195	129.6 Å²	129.6	91%	0.911	79%	0.785	S	S	*	*			trans	-151.5	162.6	174.6	-64.9	-177.8	-84.7	0	0	112.6
336	L	29	Very low	33.3	Very low	177 Å²	177	130.9 Å²	130.9	93%	0.927	79%	0.791	S	S	*	*			trans	-179.5	168.4	138.8	-104.1	170.2	0	0	0	116.1
337	S	28.6	Very low	33	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	80%	0.795	S	S	*	*			trans	-101.1	162.3	-179.8	-54.4	0	0	0	0	112.8
338	A	28.1	Very low	33.6	Very low	98 Å²	98	132.9 Å²	132.9	81%	0.81	79%	0.789	S	S	*	*			cis	87.2	149.3	16.8	0	0	0	0	0	117.9
339	A	25.8	Very low	32.7	Very low	102 Å²	102	132.6 Å²	132.6	84%	0.843	79%	0.787	S	S	*	*			trans	114.4	121.6	174.2	0	0	0	0	0	119.1
340	S	25.8	Very low	32	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	79%	0.792	S	S	*	*			trans	68.2	125.3	136.8	-140.8	0	0	0	0	125.5
341	L	25.1	Very low	32.6	Very low	172 Å²	172	135.8 Å²	135.8	90%	0.901	79%	0.79	S	S	*	*			trans	71.3	151.8	147	-72.2	166.3	0	0	0	122.5
342	A	29.8	Very low	32.1	Very low	89 Å²	89	135.8 Å²	135.8	74%	0.736	79%	0.789	S	S	*	*			trans	-96.4	173.9	178.8	0	0	0	0	0	111.6
343	P	44.5	Very low	32.3	Very low	115 Å²	115	136.4 Å²	136.4	75%	0.747	79%	0.793	S	S	*	*				-158.3	-165.6	67.9	42	-19	0	0	0	117.6
344	L	24.6	Very low	32.7	Very low	149 Å²	149	133.8 Å²	133.8	78%	0.78	79%	0.791	S	S	*	*			trans	98	106.8	145.5	-118.7	81	0	0	0	123.4
345	L	26.3	Very low	32.8	Very low	141 Å²	141	138.2 Å²	138.2	74%	0.738	80%	0.797	S	S	*	*			trans	57.4	143.6	130	-74.5	176.2	0	0	0	126.7
346	Q	26.2	Very low	33.6	Very low	181 Å²	181	134 Å²	134	85%	0.846	79%	0.787	S	S	*	*			trans	106.2	148.6	136.8	-94.3	168.4	-18.1	0	0	122.9
347	N	29.2	Very low	34.5	Very low	149 Å²	149	130.3 Å²	130.3	80%	0.797	77%	0.774	S	S	*	*			trans	-169	165.1	-161.5	-168.6	40.1	0	0	0	107.7
348	P	58.9	Low	34.4	Very low	100 Å²	100	131.1 Å²	131.1	65%	0.649	78%	0.775	S	S	*	*			cis	-107.5	-114	-8.6	23.3	1.8	0	0	0	112.9
349	P	42.6	Very low	34.4	Very low	115 Å²	115	134.7 Å²	134.7	75%	0.747	77%	0.772	S	S	*	*			cis	-119.7	-154	24.9	45.5	-33.1	0	0	0	115
350	Q	39.7	Very low	34.5	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	76%	0.762	S	S	*	*			trans	-143.4	-158	171.5	-43.4	-173.1	-28.8	0	0	108.8
351	P	49.1	Very low	34.8	Very low	105 Å²	105	137.7 Å²	137.7	68%	0.682	77%	0.771	S	S	*	*			cis	-128.6	-167.8	9.5	27.1	1.9	0	0	0	113.2
352	L	25.4	Very low	35	Very low	163 Å²	163	138.1 Å²	138.1	85%	0.853	77%	0.765	S	S	*	*			cis	-161.7	165	43.9	-82.7	166.3	0	0	0	114.9
353	L	35.7	Very low	34.9	Very low	160 Å²	160	138.1 Å²	138.1	84%	0.838	77%	0.766	S	S	*	*			trans	-103.4	166.3	161.4	-88.2	162.9	0	0	0	109.1
354	P	36.9	Very low	34.3	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	77%	0.77	S	S	*	*			cis	-155.2	-159.2	48.5	44.1	-19.9	0	0	0	118
355	Q	30.1	Very low	34.4	Very low	179 Å²	179	132.9 Å²	132.9	84%	0.836	77%	0.768	S	S	*	*			trans	-103.7	-174.7	179.3	-109.8	-172.1	37.6	0	0	112
356	P	44.3	Very low	34.8	Very low	106 Å²	106	134.2 Å²	134.2	69%	0.688	78%	0.775	S	S	*	*			cis	-130.1	-119.7	-15	26	1.5	0	0	0	115.7
357	P	48.2	Very low	35.2	Very low	101 Å²	101	133.6 Å²	133.6	66%	0.656	78%	0.777	S	S	*	*				-132.6	176.6	-112.9	43.2	-25.1	0	0	0	118.7
358	T	26.7	Very low	35.7	Very low	122 Å²	122	133.3 Å²	133.3	75%	0.748	77%	0.771	S	S	*	*			trans	162.5	140.9	130.8	36.2	0	0	0	0	117.5
359	K	28.3	Very low	34.5	Very low	173 Å²	173	134.9 Å²	134.9	75%	0.752	78%	0.781	S	S	*	*			trans	58.5	157.3	138	-65.9	177.1	154.2	-91.7	0	122
360	D	27.9	Very low	34.1	Very low	121 Å²	121	133.8 Å²	133.8	65%	0.647	77%	0.774	S	S	*	*			cis	-167.3	178.5	-14.9	-99.3	-19.9	0	0	0	110.8
361	V	31.8	Very low	33.4	Very low	147 Å²	147	131.6 Å²	131.6	89%	0.891	77%	0.772	S	S	*	*			trans	93.3	148.5	161.4	-165.7	0	0	0	0	118.4
362	F	28.4	Very low	32.4	Very low	180 Å²	180	137.8 Å²	137.8	79%	0.789	78%	0.782	S	S	*	*			trans	-150.5	157	-153.1	-144.5	-86.6	0	0	0	116.7
363	A	29.1	Very low	32.4	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	78%	0.78	S	S	*	*			trans	-158.7	158.5	160.9	0	0	0	0	0	110.8
364	G	30.4	Very low	32.5	Very low	81 Å²	81	138.1 Å²	138.1	84%	0.835	78%	0.78	S	S	*	*			cis	174.4	7	-5.6	0	0	0	0	0	120.4
365	G	28.4	Very low	32.4	Very low	72 Å²	72	137.8 Å²	137.8	74%	0.742	78%	0.778	S	S	*	*			trans	-165.7	147.4	-179.6	0	0	0	0	0	117.8
366	L	33.7	Very low	32.5	Very low	169 Å²	169	137.7 Å²	137.7	89%	0.885	78%	0.778	S	S	*	*	S	Bend	trans	42.5	119.2	169.4	-62.3	172.2	0	0	0	118.7
367	L	34.6	Very low	32.5	Very low	169 Å²	169	138.3 Å²	138.3	89%	0.885	78%	0.782	S	S	*	*			cis	-141	111.3	-24.6	-109.8	174.9	0	0	0	103.3
368	Q	39.3	Very low	31.8	Very low	143 Å²	143	142.3 Å²	142.3	67%	0.668	79%	0.792	S	S	*	*			trans	-149.2	132.2	-151	-175	-176.1	86.3	0	0	112.4	P370	Q368-P370 VanDerWaalsContact O-CD 3.31Å; Q368-P370 WeakPolarHBondContact O-CD 3.22Å
369	P	34.7	Very low	32.3	Very low	133 Å²	133	141 Å²	141	86%	0.864	79%	0.793	S	S	*	*			trans	-111.6	96.2	176.9	36.1	-26.2	0	0	0	113.5
370	P	34.4	Very low	32.4	Very low	91 Å²	91	141 Å²	141	59%	0.591	80%	0.801	S	S	*	*			trans	-103.1	-174.4	177.7	39.2	-34.7	0	0	0	113.9	Q368	Q368-P370 VanDerWaalsContact O-CD 3.31Å; Q368-P370 WeakPolarHBondContact O-CD 3.22Å
371	V	23.4	Very low	32.7	Very low	133 Å²	133	146.3 Å²	146.3	81%	0.806	81%	0.812	S	S	*	*			trans	88.3	121.3	-179.3	-176.9	0	0	0	0	113.1
372	R	28.3	Very low	32.4	Very low	235 Å²	235	150 Å²	150	89%	0.887	81%	0.81	S	S	*	*			cis	-148.6	174.3	5.6	-136.9	172.1	-166.8	-176.3	4.7	113.4
373	I	26.1	Very low	32.3	Very low	156 Å²	156	147.5 Å²	147.5	80%	0.8	80%	0.803	S	S	*	*			trans	-77.2	144.8	-172.4	-64.7	157	0	0	0	113.8
374	M	37.9	Very low	32.5	Very low	174 Å²	174	151 Å²	151	86%	0.857	80%	0.804	S	S	*	*			trans	-90.8	147	159	-76.9	-168.9	76.3	0	0	112
375	P	34.2	Very low	32.5	Very low	118 Å²	118	153.3 Å²	153.3	77%	0.766	80%	0.804	S	S	*	*				-142	169.8	125.7	32.3	-15.4	0	0	0	115.8
376	Q	31.6	Very low	32.3	Very low	178 Å²	178	154.3 Å²	154.3	83%	0.832	80%	0.798	S	S	*	*			trans	-61.9	177.9	171	-91.4	-171.6	16.5	0	0	115.3
377	P	44.8	Very low	32	Very low	119 Å²	119	152 Å²	152	77%	0.773	79%	0.791	S	S	*	*			cis	-129.6	-131.4	-16	31	-7.6	0	0	0	112.9
378	Q	33.5	Very low	31.7	Very low	185 Å²	185	154.2 Å²	154.2	86%	0.864	79%	0.788	S	S	*	*			trans	-108.1	149.3	-155.8	-64.4	175.9	-35.1	0	0	117.3
379	A	38.1	Very low	31.1	Very low	95 Å²	95	156.3 Å²	156.3	79%	0.785	80%	0.795	S	S	*	*			trans	62.4	120.1	141.2	0	0	0	0	0	123
380	L	29	Very low	30.8	Very low	173 Å²	173	154.5 Å²	154.5	91%	0.906	78%	0.782	S	S	*	*				-163.8	175.5	121.2	-106.5	167.2	0	0	0	112.4
381	R	34.5	Very low	30.5	Very low	231 Å²	231	156.2 Å²	156.2	87%	0.872	79%	0.79	S	S	*	*			trans	-93.8	161.6	-161.5	-54.4	170.7	179.8	172.4	-1.5	114.5
382	R	25.6	Very low	30.6	Very low	225 Å²	225	159.6 Å²	159.6	85%	0.849	79%	0.789	S	S	*	*				162.3	117.2	106.1	-168.6	171.6	-153.4	-130.2	2.1	117
383	I	25.8	Very low	30.6	Very low	127 Å²	127	154.3 Å²	154.3	65%	0.651	78%	0.778	S	S	*	*			trans	70.5	123.1	149.3	-63.4	169.7	0	0	0	121.7
384	E	33.4	Very low	30.6	Very low	163 Å²	163	153 Å²	153	76%	0.762	77%	0.772	S	S	*	*			trans	3.5	147.8	154.4	-56.9	178.3	110.7	0	0	123.7
385	P	30.3	Very low	30.1	Very low	130 Å²	130	156.5 Å²	156.5	84%	0.844	78%	0.776	S	S	*	*				-125.4	166.5	111.8	38.5	-35.4	0	0	0	115.1
386	P	25.7	Very low	29.6	Very low	94 Å²	94	153.8 Å²	153.8	61%	0.61	77%	0.77	S	S	*	*			trans	-120.2	146.9	-165.5	40.1	-29.4	0	0	0	118.3
387	T	26.6	Very low	29.9	Very low	121 Å²	121	151.6 Å²	151.6	74%	0.742	77%	0.771	S	S	*	*			trans	60.5	157.3	141.6	65.1	0	0	0	0	123.8
388	R	28	Very low	29	Very low	215 Å²	215	153.8 Å²	153.8	81%	0.811	77%	0.771	S	S	*	*			trans	94.9	138.5	167.6	-54.7	171	-176.8	-175.9	-0.1	113.9
389	F	26.8	Very low	28.8	Very low	186 Å²	186	151.6 Å²	151.6	82%	0.816	76%	0.764	S	S	*	*	S	Bend	cis	-132	159.4	19.8	-78.1	-109.3	0	0	0	111.7
390	T	28.7	Very low	28.3	Very low	96 Å²	96	153.5 Å²	153.5	59%	0.589	76%	0.76	S	S	*	*			cis	-167.6	146.2	-21.7	24.5	0	0	0	0	110.5
391	T	27.7	Very low	28.2	Very low	126 Å²	126	151.5 Å²	151.5	77%	0.773	75%	0.749	S	S	*	*			trans	60.7	149.4	144.9	55	0	0	0	0	122
392	R	26.4	Very low	27.8	Very low	205 Å²	205	150.7 Å²	150.7	77%	0.774	75%	0.746	S	S	*	*			cis	-174.6	169.9	-22.4	-158	-172	158.8	161.2	-1.3	108.9
393	N	28.3	Very low	27.8	Very low	123 Å²	123	145.7 Å²	145.7	66%	0.658	74%	0.741	S	S	*	*			trans	79.3	117.2	168.2	-59.3	0.4	0	0	0	114.2
394	D	26.8	Very low	28.1	Very low	128 Å²	128	147 Å²	147	68%	0.684	74%	0.742	S	S	*	*			cis	97.2	92.8	38.7	-76.8	-57.1	0	0	0	112.8
395	R	26.7	Very low	28	Very low	249 Å²	249	146 Å²	146	94%	0.94	74%	0.737	S	S	*	*			trans	-171.4	129	131.4	-110	-177.1	-179.4	92.6	-2.9	113.5
396	G	22.4	Very low	28	Very low	61 Å²	61	146.4 Å²	146.4	63%	0.629	73%	0.728	S	S	*	*			trans	-79.7	-176.5	139	0	0	0	0	0	110.2
397	P	38.1	Very low	28.3	Very low	132 Å²	132	153.9 Å²	153.9	86%	0.857	74%	0.744	S	S	*	*			cis	-141	-165.3	44.6	41.4	-22.7	0	0	0	114.5
398	E	26.2	Very low	28.7	Very low	165 Å²	165	152.2 Å²	152.2	77%	0.771	74%	0.737	S	S	*	*			trans	-68.1	170.7	165.2	-68.8	-166.1	127.8	0	0	114.1
399	L	28.9	Very low	29.1	Very low	139 Å²	139	150.9 Å²	150.9	73%	0.728	73%	0.732	S	S	*	*			trans	119.4	112.5	140	-61.6	-175	0	0	0	118.3
400	I	28.6	Very low	29.3	Very low	134 Å²	134	150.1 Å²	150.1	69%	0.687	74%	0.736	S	S	*	*				89.4	110.1	125.9	-71.1	175.9	0	0	0	120.2
401	L	27.4	Very low	29.6	Very low	132 Å²	132	155.6 Å²	155.6	69%	0.691	75%	0.746	S	S	*	*			trans	81.7	119.9	144.8	-70.4	170.3	0	0	0	123.3
402	R	25.9	Very low	29.9	Very low	214 Å²	214	155.4 Å²	155.4	81%	0.808	74%	0.74	S	S	*	*			trans	74.9	149.8	142.3	-65.5	173.2	-177.1	-174	2.5	116.7
403	T	25.1	Very low	30.4	Very low	120 Å²	120	157.4 Å²	157.4	74%	0.736	75%	0.748	S	S	*	*			cis	-148.7	144.6	4.7	-12.6	0	0	0	0	112.7
404	K	32.5	Very low	30.6	Very low	155 Å²	155	160.2 Å²	160.2	67%	0.674	76%	0.757	S	S	*	*			trans	14.8	112.7	135.7	175.9	-166.4	158.8	-67.3	0	117.9
405	E	30.6	Very low	30.9	Very low	142 Å²	142	162.7 Å²	162.7	66%	0.664	76%	0.757	S	S	*	*			trans	-168.6	-170.1	133.3	-131.6	65.5	-88.9	0	0	110.8
406	E	30.4	Very low	31.4	Very low	137 Å²	137	162 Å²	162	64%	0.64	75%	0.754	S	S	*	*			trans	62.2	39.1	168.3	-56	-128.7	120	0	0	119.2	R409	E406-R409 IonicContact OE1-CZ 3.93Å; E406-R409 IonicContact OE1-NH1 2.71Å; E406-R409 PolarHBondContact OE1-NH1 3.49Å; E406-R409 IonicContact OE1-NH2 3.39Å; E406-R409 PolarHBondContact OE1-NH2 2.95Å; E406-R409 VanDerWaalsContact OE1-NH2 3.1Å
407	R	32.5	Very low	32.1	Very low	252 Å²	252	170.4 Å²	170.4	95%	0.951	77%	0.767	S	S	*	*			trans	-110.1	54.9	144.2	-86.3	-172.8	167.4	139.4	-3.3	110.2
408	S	35.3	Very low	31.7	Very low	86 Å²	86	169.8 Å²	169.8	60%	0.601	77%	0.766	S	S	*	*			trans	-142.7	34.4	-154.7	-162.3	0	0	0	0	116.6
409	R	35	Very low	31.8	Very low	187 Å²	187	169.6 Å²	169.6	71%	0.706	76%	0.758	S	S	*	*	S	Bend	trans	-126.4	-29.1	169.3	-67.8	-165.7	-179.4	81.8	10.7	115.6	E406 R411	E406-R409 IonicContact OE1-CZ 3.93Å; E406-R409 IonicContact OE1-NH1 2.71Å; E406-R409 PolarHBondContact OE1-NH1 3.49Å; E406-R409 IonicContact OE1-NH2 3.39Å; E406-R409 PolarHBondContact OE1-NH2 2.95Å; E406-R409 VanDerWaalsContact OE1-NH2 3.1Å; R409-R411 VanDerWaalsContact C-N 3.28Å; R409-R411 PolarHBondContact O-N 3.11Å; R409-R411 VanDerWaalsContact O-N 3.12Å
410	D	32.9	Very low	31.9	Very low	169 Å²	169	172.5 Å²	172.5	90%	0.904	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	24.3	-178.6	-54.1	-65.7	0	0	0	116.4
411	R	34.7	Very low	32.2	Very low	211 Å²	211	175.7 Å²	175.7	80%	0.796	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	-2.8	-178	-84.4	-173	173	177.6	-1.2	116.2	R409	R409-R411 VanDerWaalsContact C-N 3.28Å; R409-R411 PolarHBondContact O-N 3.11Å; R409-R411 VanDerWaalsContact O-N 3.12Å
412	D	34.1	Very low	32.5	Very low	122 Å²	122	175.2 Å²	175.2	65%	0.652	78%	0.779	S	S	*	*	S	Bend	trans	-102.3	-1.3	-168.6	-80.8	-52.6	0	0	0	116.6
413	R	35.6	Very low	33.4	Very low	248 Å²	248	170.9 Å²	170.9	94%	0.936	78%	0.778	S	S	*	*	S	Bend	trans	-89.9	-31.4	172.7	-79.5	-172	169.1	110	-7.1	114.8	R415	R413-R415 PolarHBondContact O-N 3.3Å
414	E	32.8	Very low	33.7	Very low	182 Å²	182	171.6 Å²	171.6	85%	0.85	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-64.6	-24.1	-178.3	-154.6	67.5	-117.9	0	0	113.6	R416	E414-R416 VanDerWaalsContact C-N 3.34Å; E414-R416 PolarHBondContact O-N 2.66Å; E414-R416 VanDerWaalsContact O-N 3.15Å
415	R	33.4	Very low	33.6	Very low	179 Å²	179	176.2 Å²	176.2	68%	0.675	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-87.4	17.7	-157.4	-142.6	177	-172.2	175.7	3.2	116.2	R413	R413-R415 PolarHBondContact O-N 3.3Å
416	R	37.8	Very low	34.1	Very low	234 Å²	234	179.4 Å²	179.4	88%	0.883	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-116.5	4.1	-170.3	-88.7	-169	174.2	-165.2	-0.1	118.1	E414	E414-R416 VanDerWaalsContact C-N 3.34Å; E414-R416 PolarHBondContact O-N 2.66Å; E414-R416 VanDerWaalsContact O-N 3.15Å
417	R	36.3	Very low	34.1	Very low	239 Å²	239	185.1 Å²	185.1	90%	0.902	82%	0.823	S	S	*	*	S	Bend	trans	-138.9	59.5	174.7	-71.3	-169.5	174.8	131.6	-0.7	115.2
418	S	29.8	Very low	34.5	Very low	118 Å²	118	178.4 Å²	178.4	83%	0.825	82%	0.815	S	S	*	*			trans	-161	79.3	162	-89.5	0	0	0	0	115.3
419	R	29.3	Very low	34.4	Very low	161 Å²	161	185.9 Å²	185.9	61%	0.608	83%	0.83	S	S	*	*			trans	157.3	113.9	134.7	-92	179.3	172.6	160.4	-0.7	111.1	Q118 Q121	Q118-R419 PolarHBondContact O-NH2 3Å; Q121-R419 PolarHBondContact O-NH1 3.47Å
420	E	29.3	Very low	34.3	Very low	200 Å²	200	184.4 Å²	184.4	94%	0.935	84%	0.837	S	S	*	*				-151	144.6	119.9	-128	175.4	-152.8	0	0	109.3
421	R	34.8	Very low	34.3	Very low	202 Å²	202	188.1 Å²	188.1	76%	0.762	84%	0.838	S	S	*	*			trans	-154.2	116.6	-174.4	-153.6	178.3	-169.4	-168.4	-1.6	108.3
422	S	34.6	Very low	34.3	Very low	122 Å²	122	183.4 Å²	183.4	85%	0.853	84%	0.837	S	S	*	*			trans	-154	143.6	167.4	-87.4	0	0	0	0	111
423	P	45.6	Very low	34.5	Very low	122 Å²	122	184 Å²	184	79%	0.792	85%	0.848	S	S	*	*			trans	-117.3	141.4	-167.1	38.7	-27	0	0	0	114.7
424	T	31.3	Very low	34.6	Very low	136 Å²	136	183.6 Å²	183.6	83%	0.834	85%	0.846	S	S	*	*			trans	-141.1	105.3	174.9	26.4	0	0	0	0	114.9
425	R	30.6	Very low	34.9	Very low	251 Å²	251	186.7 Å²	186.7	95%	0.947	85%	0.85	S	S	*	*			trans	53.5	134.5	146.8	-79.9	179.7	160.3	174.6	-6.2	122
426	K	40.6	Very low	34.9	Very low	209 Å²	209	186.9 Å²	186.9	91%	0.909	86%	0.859	S	S	*	*			trans	-51.8	140.5	172.5	-53.4	176.2	179.2	-177.3	0	114.5
427	R	30.3	Very low	35	Very low	257 Å²	257	187.1 Å²	187.1	97%	0.97	86%	0.859	S	S	*	*			trans	-156.7	156.5	133.2	-115.2	170.2	-177.8	145.9	1	111
428	S	40.7	Very low	35.2	Very low	112 Å²	112	180.9 Å²	180.9	78%	0.783	85%	0.853	S	S	*	*			trans	-107.4	142.5	-163.4	46.5	0	0	0	0	114.1
429	R	32.2	Very low	35.9	Very low	242 Å²	242	181.2 Å²	181.2	91%	0.913	85%	0.852	S	S	*	*			trans	-170.4	145.5	130.5	-123.2	173.1	170.4	149.1	-3.9	112.3
430	D	33.9	Very low	36.9	Very low	157 Å²	157	185 Å²	185	84%	0.84	87%	0.866	S	S	*	*			trans	-65.6	153	179.9	-56.2	-99.3	0	0	0	113.8
431	R	32.7	Very low	37.7	Very low	246 Å²	246	186.6 Å²	186.6	93%	0.928	86%	0.864	S	S	*	*			trans	-135.2	142.4	161.1	-78.6	-172.9	168.4	-175.1	-4.5	109.2
432	S	33.8	Very low	38.2	Very low	112 Å²	112	182.8 Å²	182.8	78%	0.783	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-64.9	158	-165.1	-46	0	0	0	0	114.6	R434	S432-R434 PolarHBondContact O-N 3.47Å
433	P	39.9	Very low	38.6	Very low	134 Å²	134	188.4 Å²	188.4	87%	0.87	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-60.6	121.7	-177.4	-23.4	34.4	0	0	0	113	R435	P433-R435 PolarHBondContact O-N 3.19Å
434	R	37.4	Very low	38.9	Very low	241 Å²	241	190.7 Å²	190.7	91%	0.909	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-80	118.3	171.9	-166.9	-178.9	-168.3	-169.1	5	108.7	S432 E436	S432-R434 PolarHBondContact O-N 3.47Å; R434-E436 PolarHBondContact O-N 3.08Å; R434-E436 VanDerWaalsContact O-N 3.08Å
435	R	38.5	Very low	39.9	Very low	247 Å²	247	190.7 Å²	190.7	93%	0.932	86%	0.86	S	S	*	*			trans	-55	111.1	176.2	-171.2	-177.9	-170	-173.5	4.3	110.1	P433	P433-R435 PolarHBondContact O-N 3.19Å
436	E	32.8	Very low	41.3	Very low	182 Å²	182	186.2 Å²	186.2	85%	0.85	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-65.3	138.3	179.3	-66.4	-163.4	144.3	0	0	111.1	R434	R434-E436 PolarHBondContact O-N 3.08Å; R434-E436 VanDerWaalsContact O-N 3.08Å
437	R	41	Very low	42.5	Very low	239 Å²	239	179.9 Å²	179.9	90%	0.902	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.4	128.4	165.6	-76.8	-179.6	168.3	179	-4.8	107.5
438	S	39.6	Very low	44.9	Very low	109 Å²	109	178.3 Å²	178.3	76%	0.762	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-51.3	136.1	175.4	-51.6	0	0	0	0	110.8	R440	S438-R440 PolarHBondContact O-N 3.23Å
439	P	45.9	Very low	47.3	Very low	124 Å²	124	175.8 Å²	175.8	81%	0.805	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-54.3	124.1	-180	-28.1	35.3	0	0	0	111.6	R441	P439-R441 PolarHBondContact O-N 3.17Å; P439-R441 VanDerWaalsContact O-N 3.15Å
440	R	49.7	Very low	50	Low	242 Å²	242	167.1 Å²	167.1	91%	0.913	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59.3	120.1	169.5	-79.6	-178.5	168.3	177.1	-4.9	107.4	S438	S438-R440 PolarHBondContact O-N 3.23Å
441	R	46.7	Very low	52.8	Low	233 Å²	233	161 Å²	161	88%	0.879	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-50	133.8	172.1	-90.1	-176.7	167.2	-176.3	-5	109.2	P439 R443	P439-R441 PolarHBondContact O-N 3.17Å; P439-R441 VanDerWaalsContact O-N 3.15Å; R441-R443 PolarHBondContact O-N 2.94Å
442	P	44.4	Very low	55.4	Low	121 Å²	121	155 Å²	155	79%	0.786	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-52.9	133.2	167.1	-24.7	34.1	0	0	0	109.9	R444	P442-R444 PolarHBondContact O-N 3.3Å
443	R	43.2	Very low	58.2	Low	241 Å²	241	150.9 Å²	150.9	91%	0.909	70%	0.695	S	S	*	*			trans	-62.6	111.1	166	-86.1	-175.3	169.5	-178.6	-2.2	106.7	R441 V445	R441-R443 PolarHBondContact O-N 2.94Å; R443-V445 PolarHBondContact O-N 3.35Å; R443-V445 VanDerWaalsContact O-N 3.09Å
444	R	52.1	Low	60.6	Low	170 Å²	170	145.1 Å²	145.1	64%	0.642	66%	0.658	S	S	*	*			trans	-58.2	115	167	-77.8	-175	173.7	-172	-4.3	107.2	P442 L446 D563	P442-R444 PolarHBondContact O-N 3.3Å; R444-L446 PolarHBondContact O-N 2.89Å; R444-D563 IonicContact CZ-OD1 3.09Å; R444-D563 IonicContact CZ-OD2 3.36Å; R444-D563 IonicContact NH1-OD1 2.91Å; R444-D563 IonicContact NH2-OD1 3.83Å; R444-D563 PolarHBondContact NH2-OD1 2.68Å; R444-D563 IonicContact NH2-OD2 3.09Å; R444-D563 PolarHBondContact NH2-OD2 3.49Å
445	V	53.1	Low	63.2	Low	136 Å²	136	141.7 Å²	141.7	82%	0.824	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-62.7	127.2	170.8	180	0	0	0	0	107	R443	R443-V445 PolarHBondContact O-N 3.35Å; R443-V445 VanDerWaalsContact O-N 3.09Å
446	L	58.2	Low	65.7	Low	157 Å²	157	131.2 Å²	131.2	82%	0.822	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-68.6	129.1	176.3	-76.4	166.2	0	0	0	109.1	R444 R448	R444-L446 PolarHBondContact O-N 2.89Å; L446-R448 PolarHBondContact O-N 3Å
447	P	66.8	Low	68.5	Low	75 Å²	75	124.8 Å²	124.8	49%	0.487	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-55.3	137.2	174	-26.6	35.6	0	0	0	111.5	Y449 S1028	P447-Y449 PolarHBondContact O-N 3.2Å; P447-S1028 WeakPolarHBondContact CB-O 3.32Å
448	R	80.3	Confident	70.8	Confident	224 Å²	224	113.4 Å²	113.4	85%	0.845	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-72.1	126.7	172.8	-68.8	-175.7	176.4	-169.1	-1.3	108.8	L446 T450 S1028	L446-R448 PolarHBondContact O-N 3Å; R448-T450 PolarHBondContact O-N 3.21Å; R448-T450 VanDerWaalsContact O-N 3.12Å; R448-T450 PolarHBondContact O-OG1 2.66Å; R448-S1028 WeakPolarHBondContact O-CB 3.5Å
449	Y	90.9	Very high	73	Confident	59 Å²	59	109.8 Å²	109.8	23%	0.231	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-48.9	117.6	178.8	177.2	-95.3	0	0	0	111.1	P447 V451 S1028 Y1032 L1034 D1037	P447-Y449 PolarHBondContact O-N 3.2Å; Y449-V451 HydrophobicContact CE1-CB 4.49Å; Y449-V451 HydrophobicContact CE1-CG2 4.04Å; Y449-V451 HydrophobicContact CE2-CG2 3.84Å; Y449-V451 VanDerWaalsContact CZ-CG2 3.5Å; Y449-V451 WeakPolarHBondContact OH-CG2 3.42Å; Y449-S1028 WeakPolarHBondContact CA-OG 3.48Å; Y449-Y1032 HydrophobicContact CD2-CD2 4.23Å; Y449-Y1032 AromaticContact CD2-CE2 3.57Å; Y449-Y1032 HydrophobicContact CD2-CE2 3.57Å; Y449-Y1032 AromaticContact CD2-CZ 3.9Å; Y449-Y1032 HydrophobicContact CE2-CD2 4.18Å; Y449-Y1032 AromaticContact CE2-CE2 3.92Å; Y449-Y1032 HydrophobicContact CE2-CE2 3.92Å; Y449-Y1032 HydrophobicContact CG-CE2 4.42Å; Y449-L1034 HydrophobicContact CD1-CD1 4.01Å; Y449-L1034 HydrophobicContact CD1-CG 4.48Å; Y449-L1034 HydrophobicContact CE1-CB 4.49Å; Y449-L1034 HydrophobicContact CE1-CD1 3.55Å; Y449-L1034 HydrophobicContact CE1-CG 3.85Å; Y449-L1034 HydrophobicContact CE2-CG 4.02Å; Y449-L1034 PolarHBondContact OH-N 3.09Å; Y449-D1037 VanDerWaalsContact CE1-OD2 3.24Å; Y449-D1037 WeakPolarHBondContact CE1-OD2 3.3Å; Y449-D1037 PolarHBondContact OH-OD2 2.89Å
450	T	89.5	Confident	74.9	Confident	60 Å²	60	105 Å²	105	37%	0.368	49%	0.488	S	S	.	.			trans	-140.8	119.8	-175	-55.1	0	0	0	0	109.2	R448 Q1027 S1028	R448-T450 PolarHBondContact O-N 3.21Å; R448-T450 VanDerWaalsContact O-N 3.12Å; R448-T450 PolarHBondContact O-OG1 2.66Å; T450-Q1027 HydrophobicContact CG2-CB 4.34Å; T450-Q1027 PolarHBondContact O-N 3.37Å; T450-Q1027 VanDerWaalsContact O-N 3.14Å; T450-S1028 PolarHBondContact N-OG 2.83Å; T450-S1028 PolarHBondContact O-N 3.25Å; T450-S1028 PolarHBondContact O-OG 2.98Å
451	V	91.6	Very high	76.6	Confident	29 Å²	29	96.4 Å²	96.4	18%	0.176	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-133.7	135.6	-180	170.8	0	0	0	0	109.2	Y449 F453 F1025 L1033 I1041	Y449-V451 HydrophobicContact CE1-CB 4.49Å; Y449-V451 HydrophobicContact CE1-CG2 4.04Å; Y449-V451 HydrophobicContact CE2-CG2 3.84Å; Y449-V451 VanDerWaalsContact CZ-CG2 3.5Å; Y449-V451 WeakPolarHBondContact OH-CG2 3.42Å; V451-F453 HydrophobicContact CG1-CD1 3.85Å; V451-F453 HydrophobicContact CG1-CE1 4.02Å; V451-F1025 WeakPolarHBondContact CA-O 3.29Å; V451-F1025 HydrophobicContact CG1-CB 4.34Å; V451-L1033 HydrophobicContact CG2-CD2 3.61Å; V451-I1041 HydrophobicContact CG1-CD1 4.43Å
452	Q	88.1	Confident	78.8	Confident	120 Å²	120	88.4 Å²	88.4	56%	0.561	45%	0.445	S	S	*	.			trans	-132.6	138	177.4	-63.7	-176.9	-5.9	0	0	110.7	Q1027	Q452-Q1027 VanDerWaalsContact CD-NE2 3.33Å
453	F	92.1	Very high	81.1	Confident	25 Å²	25	82.8 Å²	82.8	11%	0.11	41%	0.409	C	S	.	.			trans	-164.4	160.1	173.9	58	-86.2	0	0	0	109.2	V451 K455 Q867 F1025 D1037 D1040 I1041	V451-F453 HydrophobicContact CG1-CD1 3.85Å; V451-F453 HydrophobicContact CG1-CE1 4.02Å; F453-K455 HydrophobicContact CD2-CG 4.36Å; F453-K455 HydrophobicContact CE2-CG 4Å; F453-K455 PolarHBondContact O-N 3Å; F453-Q867 VanDerWaalsContact CA-OE1 3.27Å; F453-F1025 HydrophobicContact CB-CD1 4.03Å; F453-F1025 HydrophobicContact CB-CE1 3.92Å; F453-D1037 HydrophobicContact CE1-CB 4.34Å; F453-D1040 HydrophobicContact CE2-CB 3.66Å; F453-D1040 HydrophobicContact CZ-CB 3.46Å; F453-D1040 VanDerWaalsContact CZ-CB 3.46Å; F453-I1041 HydrophobicContact CB-CG1 4.31Å; F453-I1041 HydrophobicContact CD1-CD1 3.93Å; F453-I1041 HydrophobicContact CD1-CG1 3.61Å; F453-I1041 HydrophobicContact CD2-CG1 4.03Å; F453-I1041 HydrophobicContact CE1-CD1 4.22Å; F453-I1041 HydrophobicContact CE1-CG1 3.89Å; F453-I1041 HydrophobicContact CE2-CG1 4.27Å; F453-I1041 HydrophobicContact CG-CD1 4.44Å; F453-I1041 HydrophobicContact CG-CG1 3.71Å; F453-I1041 HydrophobicContact CZ-CG1 4.22Å
454	S	91.9	Very high	83.4	Confident	14 Å²	14	75.1 Å²	75.1	10%	0.098	39%	0.386	C	S	.	.			trans	-70.3	118.2	178.1	-64.6	0	0	0	0	110.9	F456 Q867 T1044	S454-F456 PolarHBondContact O-N 3.1Å; S454-Q867 PolarHBondContact OG-NE2 3.07Å; S454-Q867 PolarHBondContact OG-OE1 2.82Å; S454-T1044 WeakPolarHBondContact O-CG2 3.37Å
455	K	90.4	Very high	85.3	Confident	169 Å²	169	70 Å²	70	74%	0.735	37%	0.371	S	S	*	.	S	Bend	trans	-86.4	46.1	-173.7	-60.2	-174.2	179.4	-176.9	0	113.2	F453	F453-K455 HydrophobicContact CD2-CG 4.36Å; F453-K455 HydrophobicContact CE2-CG 4Å; F453-K455 PolarHBondContact O-N 3Å
456	F	91.9	Very high	87.1	Confident	27 Å²	27	69.8 Å²	69.8	12%	0.118	36%	0.362	C	S	.	.	S	Bend	trans	-157.6	169.3	-179	52.2	-101	0	0	0	110.7	S454 L458 R471 Y472 E864 T1044	S454-F456 PolarHBondContact O-N 3.1Å; F456-L458 HydrophobicContact CD2-CD2 4.28Å; F456-L458 HydrophobicContact CE2-CD2 4.01Å; F456-L458 PolarHBondContact O-N 3.14Å; F456-R471 HydrophobicContact CD1-CB 4.43Å; F456-R471 HydrophobicContact CD1-CG 4Å; F456-R471 HydrophobicContact CD2-CG 4.13Å; F456-R471 HydrophobicContact CE1-CB 3.78Å; F456-R471 HydrophobicContact CE1-CG 3.73Å; F456-R471 HydrophobicContact CE2-CG 3.89Å; F456-R471 HydrophobicContact CG-CG 4.18Å; F456-R471 HydrophobicContact CZ-CB 3.83Å; F456-R471 HydrophobicContact CZ-CG 3.67Å; F456-Y472 HydrophobicContact CZ-CE1 4.18Å; F456-E864 HydrophobicContact CE2-CG 4.42Å; F456-E864 WeakPolarHBondContact CE2-OE1 3.3Å; F456-E864 VanDerWaalsContact CZ-OE1 3.22Å; F456-E864 WeakPolarHBondContact CZ-OE1 3.32Å; F456-T1044 WeakPolarHBondContact O-CB 3.41Å; F456-T1044 WeakPolarHBondContact O-CG2 3.49Å
457	S	90.3	Very high	88.7	Confident	46 Å²	46	64.6 Å²	64.6	32%	0.322	33%	0.334	S	S	.	.			trans	-72.2	128.6	-175.4	-147.1	0	0	0	0	112.4	D459	S457-D459 VanDerWaalsContact C-N 3.31Å; S457-D459 VanDerWaalsContact CB-OD1 3.29Å; S457-D459 WeakPolarHBondContact CB-OD1 3.47Å; S457-D459 PolarHBondContact O-N 3.37Å; S457-D459 PolarHBondContact OG-OD1 2.65Å
458	L	91.1	Very high	90	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	19.7	-173.9	-57.5	-178.9	0	0	0	113.5	F456 W488 E864 Q867 R868 T1044	F456-L458 HydrophobicContact CD2-CD2 4.28Å; F456-L458 HydrophobicContact CE2-CD2 4.01Å; F456-L458 PolarHBondContact O-N 3.14Å; L458-W488 WeakPolarHBondContact O-CH2 3.33Å; L458-E864 HydrophobicContact CD2-CB 3.93Å; L458-E864 HydrophobicContact CD2-CG 3.64Å; L458-Q867 HydrophobicContact CD1-CB 3.99Å; L458-R868 HydrophobicContact CB-CB 4.09Å; L458-R868 HydrophobicContact CB-CG 4.24Å; L458-R868 HydrophobicContact CD1-CB 3.92Å; L458-T1044 WeakPolarHBondContact CB-O 3.47Å; L458-T1044 PolarHBondContact N-O 3.45Å
459	D	84.8	Confident	90.6	Very high	32 Å²	32	56.6 Å²	56.6	17%	0.171	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	7.7	-175	72.8	-41.5	0	0	0	114.1	S457 H1048 R1096	S457-D459 VanDerWaalsContact C-N 3.31Å; S457-D459 VanDerWaalsContact CB-OD1 3.29Å; S457-D459 WeakPolarHBondContact CB-OD1 3.47Å; S457-D459 PolarHBondContact O-N 3.37Å; S457-D459 PolarHBondContact OG-OD1 2.65Å; D459-H1048 IonicContact OD2-NE2 2.66Å; D459-R1096 IonicContact OD2-CZ 2.78Å; D459-R1096 IonicContact OD2-NH1 2.63Å; D459-R1096 PolarHBondContact OD2-NH1 2.76Å
460	G	85.4	Confident	90.7	Very high	24 Å²	24	59.7 Å²	59.7	25%	0.247	31%	0.305	C	S	.	.			trans	-70.9	127.1	173.9	0	0	0	0	0	111.8	F486	G460-F486 WeakPolarHBondContact O-CD2 3.49Å
461	S	86.9	Confident	90.8	Very high	61 Å²	61	58.2 Å²	58.2	43%	0.427	29%	0.293	S	S	.	.	S	Bend	trans	-88.5	-5.3	-176.2	56.9	0	0	0	0	114.9	V485 F486	S461-V485 WeakPolarHBondContact O-CG1 3.19Å; S461-F486 PolarHBondContact O-N 2.66Å
462	S	91.3	Very high	90.8	Very high	66 Å²	66	57.2 Å²	57.2	46%	0.462	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	155.6	-180	55.7	0	0	0	0	111.5	A484	S462-A484 CarbonylContact C-O 3.59Å; S462-A484 VanDerWaalsContact CA-O 3.29Å; S462-A484 WeakPolarHBondContact CA-O 3.31Å
463	C	92.4	Very high	90.8	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.02	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	128.3	-174.3	-164.8	0	0	0	0	111.2	E467 L468 A484 F486	C463-E467 WeakPolarHBondContact SG-CG 3.38Å; C463-L468 HydrophobicContact CB-CD2 4.26Å; C463-L468 HydrophobicContact CB-CG 4.44Å; C463-L468 WeakPolarHBondContact SG-CD2 3.42Å; C463-L468 VanDerWaalsContact SG-CG 3.57Å; C463-L468 PolarHBondContact SG-N 3.43Å; C463-L468 VanDerWaalsContact SG-N 3.38Å; C463-A484 PolarHBondContact N-O 2.91Å; C463-A484 PolarHBondContact O-N 3.35Å; C463-F486 HydrophobicContact CB-CD2 4.49Å; C463-F486 HydrophobicContact CB-CE1 4.02Å; C463-F486 HydrophobicContact CB-CE2 3.52Å; C463-F486 HydrophobicContact CB-CZ 3.22Å
464	D	92.6	Very high	90.6	Very high	80 Å²	80	62.9 Å²	62.9	43%	0.428	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	179.7	176.2	70.2	28.5	0	0	0	112.1	M466 E467 L468	D464-M466 PolarHBondContact O-N 3.47Å; D464-M466 WeakPolarHBondContact OD1-CA 3.42Å; D464-M466 WeakPolarHBondContact OD1-CB 3.38Å; D464-M466 PolarHBondContact OD1-N 2.81Å; D464-E467 PolarHBondContact O-N 2.96Å; D464-E467 PolarHBondContact OD1-N 3.09Å; D464-L468 WeakPolarHBondContact O-CB 3.46Å; D464-L468 WeakPolarHBondContact O-CG 3.07Å; D464-L468 PolarHBondContact O-N 3.05Å
465	L	91.8	Very high	90.7	Very high	62 Å²	62	62.9 Å²	62.9	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-28.8	178.2	179.1	61.2	0	0	0	113.9	R469 I477 F481	L465-R469 WeakPolarHBondContact O-CB 3.33Å; L465-R469 WeakPolarHBondContact O-CD 3.49Å; L465-R469 WeakPolarHBondContact O-CG 3.44Å; L465-R469 PolarHBondContact O-N 3.41Å; L465-I477 HydrophobicContact CD1-CB 4.34Å; L465-I477 HydrophobicContact CD1-CD1 4.31Å; L465-I477 HydrophobicContact CD1-CG2 3.64Å; L465-F481 HydrophobicContact CB-CE1 4.43Å; L465-F481 HydrophobicContact CD1-CD1 4.33Å
466	M	91.9	Very high	90.8	Very high	132 Å²	132	59.3 Å²	59.3	65%	0.65	30%	0.304	S	S	*	.	H	α-helix	trans	-81.5	-44.1	-179.5	-63.5	-90.5	66.1	0	0	110.9	D464 R469 R470	D464-M466 PolarHBondContact O-N 3.47Å; D464-M466 WeakPolarHBondContact OD1-CA 3.42Å; D464-M466 WeakPolarHBondContact OD1-CB 3.38Å; D464-M466 PolarHBondContact OD1-N 2.81Å; M466-R469 PolarHBondContact O-N 2.93Å; M466-R470 WeakPolarHBondContact O-CB 3.29Å; M466-R470 PolarHBondContact O-N 3.11Å
467	E	91.8	Very high	91	Very high	47 Å²	47	58.6 Å²	58.6	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-38.8	177	178.4	65.9	-178.5	0	0	111.5	C463 D464 R469 R470 R471	C463-E467 WeakPolarHBondContact SG-CG 3.38Å; D464-E467 PolarHBondContact O-N 2.96Å; D464-E467 PolarHBondContact OD1-N 3.09Å; E467-R469 PolarHBondContact O-N 2.89Å; E467-R470 VanDerWaalsContact CD-NH2 3.26Å; E467-R470 PolarHBondContact O-N 3.32Å; E467-R470 IonicContact OE1-CZ 3.61Å; E467-R470 IonicContact OE1-NE 3.04Å; E467-R470 IonicContact OE1-NH2 2.69Å; E467-R470 PolarHBondContact OE1-NH2 3.16Å; E467-R470 IonicContact OE2-CZ 3.54Å; E467-R470 VanDerWaalsContact OE2-CZ 3.3Å; E467-R470 IonicContact OE2-NE 3.69Å; E467-R470 PolarHBondContact OE2-NE 2.93Å; E467-R470 IonicContact OE2-NH2 2.76Å; E467-R470 PolarHBondContact OE2-NH2 3.49Å; E467-R471 WeakPolarHBondContact O-CG 3.37Å; E467-R471 PolarHBondContact O-N 2.95Å; E467-R471 IonicContact OE1-CZ 2.66Å; E467-R471 IonicContact OE1-NE 2.92Å; E467-R471 PolarHBondContact OE1-NE 2.66Å; E467-R471 IonicContact OE1-NH2 2.85Å; E467-R471 PolarHBondContact OE1-NH2 2.92Å
468	L	92.9	Very high	91.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-46.6	171.5	-78	-172.8	0	0	0	111.6	C463 D464 R470 R471 Y472 I477 F481 F486 F853 L857	C463-L468 HydrophobicContact CB-CD2 4.26Å; C463-L468 HydrophobicContact CB-CG 4.44Å; C463-L468 WeakPolarHBondContact SG-CD2 3.42Å; C463-L468 VanDerWaalsContact SG-CG 3.57Å; C463-L468 PolarHBondContact SG-N 3.43Å; C463-L468 VanDerWaalsContact SG-N 3.38Å; D464-L468 WeakPolarHBondContact O-CB 3.46Å; D464-L468 WeakPolarHBondContact O-CG 3.07Å; D464-L468 PolarHBondContact O-N 3.05Å; L468-R470 PolarHBondContact O-N 2.87Å; L468-R471 PolarHBondContact O-N 3.02Å; L468-Y472 HydrophobicContact CD2-CD2 3.85Å; L468-Y472 HydrophobicContact CD2-CE2 3.52Å; L468-Y472 PolarHBondContact O-N 3.23Å; L468-I477 HydrophobicContact CB-CD1 3.76Å; L468-I477 HydrophobicContact CD1-CD1 4.41Å; L468-F481 HydrophobicContact CD1-CD1 4.17Å; L468-F481 HydrophobicContact CD1-CE1 3.4Å; L468-F481 VanDerWaalsContact CD1-CE1 3.4Å; L468-F481 HydrophobicContact CD1-CE2 4.22Å; L468-F481 HydrophobicContact CD1-CZ 3.42Å; L468-F481 VanDerWaalsContact CD1-CZ 3.42Å; L468-F481 HydrophobicContact CG-CE1 4.38Å; L468-F481 HydrophobicContact CG-CZ 4.4Å; L468-F486 HydrophobicContact CD2-CZ 4.43Å; L468-F853 HydrophobicContact CD1-CE2 4.13Å; L468-F853 HydrophobicContact CD1-CZ 4.04Å; L468-L857 HydrophobicContact CD2-CD1 3.73Å
469	R	92.5	Very high	91.3	Very high	132 Å²	132	62.5 Å²	62.5	50%	0.498	33%	0.329	S	S	.	.	H	α-helix	trans	-64	-28.8	176.9	-74.7	175.9	179.7	-77.1	-5	112.9	L465 M466 E467 I477	L465-R469 WeakPolarHBondContact O-CB 3.33Å; L465-R469 WeakPolarHBondContact O-CD 3.49Å; L465-R469 WeakPolarHBondContact O-CG 3.44Å; L465-R469 PolarHBondContact O-N 3.41Å; M466-R469 PolarHBondContact O-N 2.93Å; E467-R469 PolarHBondContact O-N 2.89Å; R469-I477 HydrophobicContact CG-CD1 3.63Å
470	R	93.5	Very high	91.8	Very high	123 Å²	123	62.8 Å²	62.8	46%	0.464	33%	0.33	S	S	.	.	H	α-helix	trans	-76.4	-37.1	175.9	-164.2	-165.2	63.3	68.5	5	112.3	M466 E467 L468	M466-R470 WeakPolarHBondContact O-CB 3.29Å; M466-R470 PolarHBondContact O-N 3.11Å; E467-R470 VanDerWaalsContact CD-NH2 3.26Å; E467-R470 PolarHBondContact O-N 3.32Å; E467-R470 IonicContact OE1-CZ 3.61Å; E467-R470 IonicContact OE1-NE 3.04Å; E467-R470 IonicContact OE1-NH2 2.69Å; E467-R470 PolarHBondContact OE1-NH2 3.16Å; E467-R470 IonicContact OE2-CZ 3.54Å; E467-R470 VanDerWaalsContact OE2-CZ 3.3Å; E467-R470 IonicContact OE2-NE 3.69Å; E467-R470 PolarHBondContact OE2-NE 2.93Å; E467-R470 IonicContact OE2-NH2 2.76Å; E467-R470 PolarHBondContact OE2-NH2 3.49Å; L468-R470 PolarHBondContact O-N 2.87Å
471	R	91.9	Very high	92.3	Very high	30 Å²	30	61.9 Å²	61.9	11%	0.113	32%	0.32	C	S	.	.	H	α-helix	trans	-75.3	-54.5	177.8	-69.9	-179.3	-175.3	-135	-5.6	112.2	F456 E467 L468 E864	F456-R471 HydrophobicContact CD1-CB 4.43Å; F456-R471 HydrophobicContact CD1-CG 4Å; F456-R471 HydrophobicContact CD2-CG 4.13Å; F456-R471 HydrophobicContact CE1-CB 3.78Å; F456-R471 HydrophobicContact CE1-CG 3.73Å; F456-R471 HydrophobicContact CE2-CG 3.89Å; F456-R471 HydrophobicContact CG-CG 4.18Å; F456-R471 HydrophobicContact CZ-CB 3.83Å; F456-R471 HydrophobicContact CZ-CG 3.67Å; E467-R471 WeakPolarHBondContact O-CG 3.37Å; E467-R471 PolarHBondContact O-N 2.95Å; E467-R471 IonicContact OE1-CZ 2.66Å; E467-R471 IonicContact OE1-NE 2.92Å; E467-R471 PolarHBondContact OE1-NE 2.66Å; E467-R471 IonicContact OE1-NH2 2.85Å; E467-R471 PolarHBondContact OE1-NH2 2.92Å; L468-R471 PolarHBondContact O-N 3.02Å; R471-E864 IonicContact NH1-OE1 3.94Å; R471-E864 IonicContact NH1-OE2 2.71Å; R471-E864 PolarHBondContact NH1-OE2 3.3Å
472	Y	92.1	Very high	92.6	Very high	8 Å²	8	63.2 Å²	63.2	3%	0.031	32%	0.318	C	S	.	.			trans	-117.4	81.4	-169.1	-37.8	-63.3	0	0	0	110.1	F456 L468 S474 L475 L857 E860 E864	F456-Y472 HydrophobicContact CZ-CE1 4.18Å; L468-Y472 HydrophobicContact CD2-CD2 3.85Å; L468-Y472 HydrophobicContact CD2-CE2 3.52Å; L468-Y472 PolarHBondContact O-N 3.23Å; Y472-S474 PolarHBondContact O-N 3.12Å; Y472-L475 HydrophobicContact CD2-CD2 3.65Å; Y472-L475 HydrophobicContact CG-CD2 4.13Å; Y472-L475 PolarHBondContact O-N 2.96Å; Y472-L857 HydrophobicContact CD2-CD1 4.5Å; Y472-L857 HydrophobicContact CE2-CD1 3.8Å; Y472-E860 HydrophobicContact CD1-CB 4.16Å; Y472-E860 HydrophobicContact CD1-CG 3.77Å; Y472-E860 WeakPolarHBondContact CD1-OE1 3.27Å; Y472-E860 HydrophobicContact CE1-CB 3.6Å; Y472-E860 HydrophobicContact CE1-CG 3.75Å; Y472-E860 HydrophobicContact CE2-CB 4.49Å; Y472-E860 HydrophobicContact CG-CG 4.36Å; Y472-E864 WeakPolarHBondContact CE1-OE1 3.35Å; Y472-E864 PolarHBondContact OH-OE1 3Å
473	Q	87.5	Confident	92.8	Very high	173 Å²	173	61.8 Å²	61.8	81%	0.808	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.2	-171.4	-62.7	175.9	19.8	0	0	113.9
474	S	88.3	Confident	93	Very high	91 Å²	91	61.7 Å²	61.7	64%	0.636	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.8	179.8	-53.6	0	0	0	0	114.2	Y472 Y476	Y472-S474 PolarHBondContact O-N 3.12Å; S474-Y476 PolarHBondContact O-N 3.33Å
475	L	92.7	Very high	93.1	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.068	29%	0.293	C	S	.	.			trans	-72.7	126.9	-178.6	178.1	66.8	0	0	0	110.1	Y472 I477 Y843 F853	Y472-L475 HydrophobicContact CD2-CD2 3.65Å; Y472-L475 HydrophobicContact CG-CD2 4.13Å; Y472-L475 PolarHBondContact O-N 2.96Å; L475-I477 HydrophobicContact CD2-CG1 4.33Å; L475-I477 HydrophobicContact CG-CG1 4.25Å; L475-I477 PolarHBondContact O-N 3.42Å; L475-Y843 HydrophobicContact CB-CE1 4.1Å; L475-Y843 HydrophobicContact CD1-CD1 4.28Å; L475-Y843 HydrophobicContact CD1-CE1 3.49Å; L475-Y843 VanDerWaalsContact CD1-CE1 3.49Å; L475-Y843 HydrophobicContact CG-CE1 4.39Å; L475-F853 HydrophobicContact CD1-CD2 4.08Å; L475-F853 HydrophobicContact CD2-CD2 3.98Å; L475-F853 HydrophobicContact CD2-CE2 3.89Å; L475-F853 HydrophobicContact CG-CD2 4.03Å; L475-F853 HydrophobicContact CG-CE2 4.38Å
476	Y	94	Very high	93.3	Very high	95 Å²	95	56.6 Å²	56.6	37%	0.373	28%	0.278	S	S	.	.			trans	-67.2	126.2	166.2	169.5	-100.4	0	0	0	109.6	S474 P478 N848 F853	S474-Y476 PolarHBondContact O-N 3.33Å; Y476-P478 HydrophobicContact CE1-CG 3.96Å; Y476-N848 HydrophobicContact CD2-CB 4.21Å; Y476-N848 VanDerWaalsContact CE1-C 3.43Å; Y476-N848 HydrophobicContact CE2-CB 4.38Å; Y476-N848 HydrophobicContact CG-CB 4.43Å; Y476-F853 HydrophobicContact CD1-CB 4.34Å; Y476-F853 WeakPolarHBondContact O-CD2 3.3Å
477	I	95.1	Very high	93.4	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.056	26%	0.255	C	S	.	.			trans	-119.2	124.2	177.2	-56.4	164.6	0	0	0	108.5	L465 L468 R469 L475 F481 F853	L465-I477 HydrophobicContact CD1-CB 4.34Å; L465-I477 HydrophobicContact CD1-CD1 4.31Å; L465-I477 HydrophobicContact CD1-CG2 3.64Å; L468-I477 HydrophobicContact CB-CD1 3.76Å; L468-I477 HydrophobicContact CD1-CD1 4.41Å; R469-I477 HydrophobicContact CG-CD1 3.63Å; L475-I477 HydrophobicContact CD2-CG1 4.33Å; L475-I477 HydrophobicContact CG-CG1 4.25Å; L475-I477 PolarHBondContact O-N 3.42Å; I477-F481 HydrophobicContact CG2-CB 4.17Å; I477-F481 HydrophobicContact CG2-CD1 3.68Å; I477-F481 HydrophobicContact CG2-CE1 4.48Å; I477-F481 HydrophobicContact CG2-CG 4.09Å; I477-F853 HydrophobicContact CB-CE2 4.35Å; I477-F853 HydrophobicContact CG1-CD2 4.4Å; I477-F853 HydrophobicContact CG1-CE2 3.99Å; I477-F853 HydrophobicContact CG2-CE2 4.15Å; I477-F853 HydrophobicContact CG2-CZ 4.21Å
478	P	95.3	Very high	93.5	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.026	25%	0.245	C	C	.	.			trans	-55	151.4	175.2	-28.7	37.1	0	0	0	113.8	Y476 D480 F481 Y637 E850 F853	Y476-P478 HydrophobicContact CE1-CG 3.96Å; P478-D480 VanDerWaalsContact C-N 3.31Å; P478-D480 WeakPolarHBondContact CB-OD1 3.41Å; P478-D480 PolarHBondContact O-N 3.12Å; P478-F481 HydrophobicContact CB-CB 4.32Å; P478-Y637 HydrophobicContact CB-CE1 4.16Å; P478-Y637 HydrophobicContact CG-CE1 4.11Å; P478-E850 HydrophobicContact CG-CB 4.31Å; P478-E850 HydrophobicContact CG-CG 4.41Å; P478-F853 VanDerWaalsContact CD-CG 3.46Å; P478-F853 HydrophobicContact CG-CB 4.29Å; P478-F853 HydrophobicContact CG-CD1 3.72Å; P478-F853 HydrophobicContact CG-CE1 4.28Å; P478-F853 HydrophobicContact CG-CG 4.12Å
479	S	93.3	Very high	93.4	Very high	126 Å²	126	50 Å²	50	88%	0.881	25%	0.249	S	C	*	.	S	Bend	trans	-74.9	-18.1	-176.6	48.8	0	0	0	0	114.7
480	D	93.7	Very high	93.3	Very high	37 Å²	37	49.7 Å²	49.7	20%	0.198	26%	0.257	C	S	.	.	S	Bend	trans	-104.3	-6.2	179.8	62.5	-30.4	0	0	0	113.2	P478 Y637 H638 R639	P478-D480 VanDerWaalsContact C-N 3.31Å; P478-D480 WeakPolarHBondContact CB-OD1 3.41Å; P478-D480 PolarHBondContact O-N 3.12Å; D480-Y637 CarbonylContact O-C 3.42Å; D480-Y637 WeakPolarHBondContact O-CA 3.39Å; D480-H638 PolarHBondContact O-N 3.4Å; D480-R639 IonicContact OD2-CZ 3.92Å; D480-R639 IonicContact OD2-NE 2.7Å; D480-R639 IonicContact OD2-NH1 3.21Å; D480-R639 PolarHBondContact OD2-NH1 3.32Å
481	F	96.3	Very high	93.1	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.5	165.8	168.7	-89.8	0	0	0	110.3	L465 L468 I477 P478 N483 A484 I635 Y637 F853	L465-F481 HydrophobicContact CB-CE1 4.43Å; L465-F481 HydrophobicContact CD1-CD1 4.33Å; L468-F481 HydrophobicContact CD1-CD1 4.17Å; L468-F481 HydrophobicContact CD1-CE1 3.4Å; L468-F481 VanDerWaalsContact CD1-CE1 3.4Å; L468-F481 HydrophobicContact CD1-CE2 4.22Å; L468-F481 HydrophobicContact CD1-CZ 3.42Å; L468-F481 VanDerWaalsContact CD1-CZ 3.42Å; L468-F481 HydrophobicContact CG-CE1 4.38Å; L468-F481 HydrophobicContact CG-CZ 4.4Å; I477-F481 HydrophobicContact CG2-CB 4.17Å; I477-F481 HydrophobicContact CG2-CD1 3.68Å; I477-F481 HydrophobicContact CG2-CE1 4.48Å; I477-F481 HydrophobicContact CG2-CG 4.09Å; P478-F481 HydrophobicContact CB-CB 4.32Å; F481-N483 WeakPolarHBondContact CE2-O 3.34Å; F481-A484 HydrophobicContact CE2-CB 3.98Å; F481-A484 HydrophobicContact CZ-CB 4.01Å; F481-I635 HydrophobicContact CD2-CG2 3.67Å; F481-I635 HydrophobicContact CE2-CG2 3.82Å; F481-Y637 HydrophobicContact CB-CD1 4.09Å; F481-Y637 HydrophobicContact CB-CE1 4.04Å; F481-F853 HydrophobicContact CB-CE1 4.5Å; F481-F853 AromaticContact CD2-CE1 3.92Å; F481-F853 HydrophobicContact CD2-CE1 3.92Å; F481-F853 AromaticContact CD2-CZ 3.89Å; F481-F853 HydrophobicContact CD2-CZ 3.89Å; F481-F853 HydrophobicContact CE2-CZ 4.19Å; F481-F853 HydrophobicContact CG-CE1 4.26Å; F481-F853 HydrophobicContact CG-CZ 4.1Å
482	F	93.6	Very high	93.2	Very high	89 Å²	89	44.4 Å²	44.4	39%	0.39	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	-29.7	174.7	72	-87.5	0	0	0	115.3	R636 H638 V653	F482-R636 HydrophobicContact CD1-CB 4.36Å; F482-R636 VanDerWaalsContact CD1-O 3.24Å; F482-R636 WeakPolarHBondContact CD1-O 3.29Å; F482-R636 HydrophobicContact CE1-CB 3.63Å; F482-R636 HydrophobicContact CE2-CB 4.29Å; F482-R636 HydrophobicContact CZ-CB 3.59Å; F482-R636 PolarHBondContact N-O 3.22Å; F482-R636 VanDerWaalsContact N-O 3.16Å; F482-H638 HydrophobicContact CD1-CB 4.21Å; F482-V653 HydrophobicContact CE1-CG1 3.97Å; F482-V653 HydrophobicContact CE1-CG2 4.17Å; F482-V653 HydrophobicContact CZ-CG1 3.93Å; F482-V653 HydrophobicContact CZ-CG2 4.1Å
483	N	95.6	Very high	93	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	141.5	-176.6	177.4	77.2	0	0	0	112.9	F481 R636	F481-N483 WeakPolarHBondContact CE2-O 3.34Å; N483-R636 WeakPolarHBondContact O-CB 3.22Å; N483-R636 PolarHBondContact O-N 2.85Å
484	A	96.6	Very high	92.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.6	168.2	0	0	0	0	0	111.5	S462 C463 F481 F486 E634 L857	S462-A484 CarbonylContact C-O 3.59Å; S462-A484 VanDerWaalsContact CA-O 3.29Å; S462-A484 WeakPolarHBondContact CA-O 3.31Å; C463-A484 PolarHBondContact N-O 2.91Å; C463-A484 PolarHBondContact O-N 3.35Å; F481-A484 HydrophobicContact CE2-CB 3.98Å; F481-A484 HydrophobicContact CZ-CB 4.01Å; A484-F486 HydrophobicContact CB-CD1 4.28Å; A484-F486 HydrophobicContact CB-CE1 3.61Å; A484-F486 HydrophobicContact CB-CZ 4.4Å; A484-E634 CarbonylContact C-O 3.16Å; A484-E634 WeakPolarHBondContact CA-O 3.39Å; A484-L857 HydrophobicContact CB-CD2 4.4Å
485	V	95.7	Very high	92.5	Very high	34 Å²	34	40.1 Å²	40.1	21%	0.206	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.1	175.2	-172.1	0	0	0	0	108.8	S461 T487 A633 E634	S461-V485 WeakPolarHBondContact O-CG1 3.19Å; V485-T487 HydrophobicContact CG1-CG2 4.33Å; V485-T487 PolarHBondContact O-N 2.68Å; V485-A633 CarbonylContact O-C 3.55Å; V485-A633 WeakPolarHBondContact O-CA 3.38Å; V485-E634 HydrophobicContact CB-CB 4.12Å; V485-E634 HydrophobicContact CB-CG 4.4Å; V485-E634 PolarHBondContact N-O 2.69Å; V485-E634 PolarHBondContact O-N 2.86Å
486	F	95.1	Very high	92.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	26%	0.256	C	S	.	.			trans	-101.9	75.9	-170	-60.7	-16.9	0	0	0	110.4	G460 S461 C463 L468 A484 W488 V489 L861	G460-F486 WeakPolarHBondContact O-CD2 3.49Å; S461-F486 PolarHBondContact O-N 2.66Å; C463-F486 HydrophobicContact CB-CD2 4.49Å; C463-F486 HydrophobicContact CB-CE1 4.02Å; C463-F486 HydrophobicContact CB-CE2 3.52Å; C463-F486 HydrophobicContact CB-CZ 3.22Å; L468-F486 HydrophobicContact CD2-CZ 4.43Å; A484-F486 HydrophobicContact CB-CD1 4.28Å; A484-F486 HydrophobicContact CB-CE1 3.61Å; A484-F486 HydrophobicContact CB-CZ 4.4Å; F486-W488 PolarHBondContact O-N 3.01Å; F486-V489 HydrophobicContact CB-CG2 4.31Å; F486-V489 WeakPolarHBondContact O-CG2 3.38Å; F486-V489 PolarHBondContact O-N 3.38Å; F486-L861 HydrophobicContact CD1-CD1 3.62Å; F486-L861 HydrophobicContact CD1-CD2 3.76Å; F486-L861 HydrophobicContact CD1-CG 4.36Å; F486-L861 HydrophobicContact CD2-CD2 3.65Å; F486-L861 HydrophobicContact CE1-CD1 3.55Å; F486-L861 HydrophobicContact CE1-CD2 3.63Å; F486-L861 HydrophobicContact CE1-CG 4.19Å; F486-L861 HydrophobicContact CE2-CD2 3.5Å; F486-L861 HydrophobicContact CG-CD1 4.36Å; F486-L861 HydrophobicContact CG-CD2 3.79Å; F486-L861 HydrophobicContact CZ-CD1 4.23Å; F486-L861 HydrophobicContact CZ-CD2 3.5Å; F486-L861 VanDerWaalsContact CZ-CD2 3.5Å; F486-L861 HydrophobicContact CZ-CG 4.4Å
487	T	94	Very high	92	Very high	27 Å²	27	45 Å²	45	17%	0.166	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.6	-176.9	38.5	0	0	0	0	113.9	V485 V489 D490 A491 R631 F632 A633	V485-T487 HydrophobicContact CG1-CG2 4.33Å; V485-T487 PolarHBondContact O-N 2.68Å; T487-V489 PolarHBondContact O-N 2.78Å; T487-D490 PolarHBondContact O-N 3.29Å; T487-A491 WeakPolarHBondContact O-CB 3.39Å; T487-A491 PolarHBondContact O-N 2.87Å; T487-A491 VanDerWaalsContact O-N 3.09Å; T487-R631 WeakPolarHBondContact CB-O 3.18Å; T487-R631 PolarHBondContact OG1-O 3.32Å; T487-R631 VanDerWaalsContact OG1-O 3.08Å; T487-F632 PolarHBondContact N-O 2.66Å; T487-F632 VanDerWaalsContact OG1-C 3.26Å; T487-F632 PolarHBondContact OG1-O 2.76Å; T487-A633 PolarHBondContact OG1-N 2.91Å
488	W	94.2	Very high	91.7	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-28.1	172.5	72.7	-99.1	0	0	0	113.9	L458 F486 D490 A491 F492 F632 E864 M865	L458-W488 WeakPolarHBondContact O-CH2 3.33Å; F486-W488 PolarHBondContact O-N 3.01Å; W488-D490 VanDerWaalsContact C-N 3.32Å; W488-D490 PolarHBondContact O-N 2.7Å; W488-A491 PolarHBondContact O-N 3.39Å; W488-F492 HydrophobicContact CB-CD2 4.31Å; W488-F492 PolarHBondContact O-N 3.34Å; W488-F632 HydrophobicContact CB-CD1 4.43Å; W488-F632 HydrophobicContact CB-CD2 3.6Å; W488-F632 HydrophobicContact CB-CE1 4.39Å; W488-F632 HydrophobicContact CB-CE2 3.52Å; W488-F632 HydrophobicContact CB-CG 4.06Å; W488-F632 HydrophobicContact CB-CZ 3.93Å; W488-F632 WeakPolarHBondContact CB-O 3.36Å; W488-F632 HydrophobicContact CG-CE1 4.4Å; W488-F632 HydrophobicContact CG-CE2 4.12Å; W488-F632 HydrophobicContact CG-CZ 4.03Å; W488-F632 PolarHBondContact N-O 3.2Å; W488-E864 HydrophobicContact CH2-CB 4.37Å; W488-E864 HydrophobicContact CZ2-CB 4.1Å; W488-M865 HydrophobicContact CD2-CB 4.22Å; W488-M865 HydrophobicContact CE3-CB 3.62Å; W488-M865 HydrophobicContact CE3-CG 3.67Å; W488-M865 HydrophobicContact CE3-SD 4.31Å; W488-M865 HydrophobicContact CH2-CB 4.11Å; W488-M865 VanDerWaalsContact CZ3-CA 3.48Å; W488-M865 HydrophobicContact CZ3-CB 3.55Å; W488-M865 HydrophobicContact CZ3-CG 3.78Å
489	V	91.1	Very high	91.2	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-37.6	-178.4	-179	0	0	0	0	111.5	F486 T487	F486-V489 HydrophobicContact CB-CG2 4.31Å; F486-V489 WeakPolarHBondContact O-CG2 3.38Å; F486-V489 PolarHBondContact O-N 3.38Å; T487-V489 PolarHBondContact O-N 2.78Å
490	D	89.8	Confident	90.6	Very high	125 Å²	125	46.1 Å²	46.1	67%	0.668	24%	0.238	S	C	*	.	H	α-helix	trans	-86	-34.2	175.6	-63.3	-52.3	0	0	0	112.2	T487 W488 F492	T487-D490 PolarHBondContact O-N 3.29Å; W488-D490 VanDerWaalsContact C-N 3.32Å; W488-D490 PolarHBondContact O-N 2.7Å; D490-F492 VanDerWaalsContact C-N 3.33Å; D490-F492 PolarHBondContact O-N 3.05Å
491	A	90.2	Very high	89.4	Confident	34 Å²	34	47.1 Å²	47.1	28%	0.281	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-36.3	179.7	0	0	0	0	0	112.5	T487 W488 Y630	T487-A491 WeakPolarHBondContact O-CB 3.39Å; T487-A491 PolarHBondContact O-N 2.87Å; T487-A491 VanDerWaalsContact O-N 3.09Å; W488-A491 PolarHBondContact O-N 3.39Å; A491-Y630 HydrophobicContact CB-CD1 4.18Å
492	F	92.3	Very high	88.7	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.035	27%	0.265	C	S	.	.	S	Bend	trans	-122	87.1	174.4	-52.9	-73.9	0	0	0	108.6	W488 D490 F498 Y630 F632 L660 M865 R868	W488-F492 HydrophobicContact CB-CD2 4.31Å; W488-F492 PolarHBondContact O-N 3.34Å; D490-F492 VanDerWaalsContact C-N 3.33Å; D490-F492 PolarHBondContact O-N 3.05Å; F492-F498 HydrophobicContact CD1-CB 4.5Å; F492-F498 HydrophobicContact CD1-CD2 4.13Å; F492-F498 AromaticContact CE1-CD2 3.68Å; F492-F498 HydrophobicContact CE1-CD2 3.68Å; F492-F498 HydrophobicContact CE1-CE2 4.28Å; F492-F498 AromaticContact CZ-CD2 3.88Å; F492-F498 HydrophobicContact CZ-CD2 3.88Å; F492-F498 HydrophobicContact CZ-CE2 4.27Å; F492-Y630 HydrophobicContact CD1-CD1 4.47Å; F492-Y630 HydrophobicContact CD1-CE1 4.31Å; F492-Y630 AromaticContact CE1-CD1 3.6Å; F492-Y630 HydrophobicContact CE1-CD1 3.6Å; F492-Y630 HydrophobicContact CE1-CD2 4.26Å; F492-Y630 AromaticContact CE1-CE1 3.52Å; F492-Y630 HydrophobicContact CE1-CE1 3.52Å; F492-Y630 HydrophobicContact CE1-CE2 4.21Å; F492-Y630 AromaticContact CE1-CG 3.98Å; F492-Y630 HydrophobicContact CE1-CG 3.98Å; F492-Y630 AromaticContact CE1-CZ 3.86Å; F492-Y630 HydrophobicContact CE2-CD1 4.11Å; F492-Y630 HydrophobicContact CE2-CG 4.14Å; F492-Y630 AromaticContact CZ-CD1 3.39Å; F492-Y630 HydrophobicContact CZ-CD1 3.39Å; F492-Y630 AromaticContact CZ-CD2 3.82Å; F492-Y630 HydrophobicContact CZ-CD2 3.82Å; F492-Y630 AromaticContact CZ-CE1 3.83Å; F492-Y630 HydrophobicContact CZ-CE1 3.83Å; F492-Y630 HydrophobicContact CZ-CE2 4.24Å; F492-Y630 AromaticContact CZ-CG 3.38Å; F492-Y630 HydrophobicContact CZ-CG 3.38Å; F492-F632 HydrophobicContact CE2-CD2 4.19Å; F492-F632 HydrophobicContact CE2-CE2 4.27Å; F492-L660 HydrophobicContact CE2-CD2 4.47Å; F492-L660 HydrophobicContact CZ-CD2 4.29Å; F492-M865 HydrophobicContact CB-SD 4.22Å; F492-M865 HydrophobicContact CD2-SD 3.35Å; F492-M865 WeakPolarHBondContact CD2-SD 3.21Å; F492-M865 HydrophobicContact CE2-SD 3.81Å; F492-M865 HydrophobicContact CG-SD 3.85Å; F492-R868 PolarHBondContact O-NH1 3.44Å; F492-R868 PolarHBondContact O-NH2 2.72Å
493	P	88.7	Confident	88.3	Confident	45 Å²	45	48.2 Å²	48.2	29%	0.292	26%	0.264	S	S	.	.			trans	-76.8	161.1	174.8	31.8	-35	0	0	0	111.1	T495 R496	P493-T495 PolarHBondContact O-N 2.84Å; P493-R496 HydrophobicContact CG-CB 4.03Å; P493-R496 CarbonylContact O-C 3.5Å; P493-R496 WeakPolarHBondContact O-CA 3.44Å; P493-R496 PolarHBondContact O-N 3.17Å; P493-R496 VanDerWaalsContact O-O 3.1Å
494	L	84.3	Confident	88	Confident	27 Å²	27	46.6 Å²	46.6	14%	0.141	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.4	177.8	-65.2	175.9	0	0	0	114.1	R868 Y872 L1047	L494-R868 HydrophobicContact CD2-CG 3.81Å; L494-Y872 HydrophobicContact CB-CD1 4.34Å; L494-Y872 HydrophobicContact CB-CD2 4.47Å; L494-Y872 HydrophobicContact CB-CE1 4.21Å; L494-Y872 HydrophobicContact CB-CE2 4.35Å; L494-Y872 HydrophobicContact CB-CG 4.47Å; L494-Y872 HydrophobicContact CD1-CD2 4.29Å; L494-Y872 HydrophobicContact CD1-CE2 4.43Å; L494-Y872 HydrophobicContact CD2-CD1 4.38Å; L494-Y872 HydrophobicContact CD2-CD2 4.21Å; L494-Y872 HydrophobicContact CD2-CG 3.94Å; L494-Y872 WeakPolarHBondContact O-CE1 3.32Å; L494-L1047 HydrophobicContact CD1-CD2 3.81Å
495	T	82.1	Confident	87.8	Confident	109 Å²	109	49.2 Å²	49.2	67%	0.669	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.5	175.5	50.6	0	0	0	0	113.9	P493	P493-T495 PolarHBondContact O-N 2.84Å
496	R	87.8	Confident	87.8	Confident	183 Å²	183	48.5 Å²	48.5	69%	0.691	26%	0.264	S	S	*	.	S	Bend	trans	-140.2	70.1	174	-171.8	-173.9	-66.7	166	-1.2	108.7	P493	P493-R496 HydrophobicContact CG-CB 4.03Å; P493-R496 CarbonylContact O-C 3.5Å; P493-R496 WeakPolarHBondContact O-CA 3.44Å; P493-R496 PolarHBondContact O-N 3.17Å; P493-R496 VanDerWaalsContact O-O 3.1Å
497	P	87.4	Confident	87.7	Confident	29 Å²	29	50.6 Å²	50.6	19%	0.188	27%	0.273	C	S	.	.			trans	-65.3	166.6	179.5	29.7	-36.6	0	0	0	111.3	D869	P497-D869 VanDerWaalsContact CA-OD2 3.29Å; P497-D869 WeakPolarHBondContact CA-OD2 3.22Å; P497-D869 HydrophobicContact CB-CB 3.95Å; P497-D869 VanDerWaalsContact CB-CG 3.42Å; P497-D869 WeakPolarHBondContact CB-OD2 3.5Å
498	F	88.8	Confident	87.7	Confident	18 Å²	18	51.8 Å²	51.8	8%	0.079	28%	0.278	C	S	.	.			trans	-59.4	142	176.4	-171	-96.3	0	0	0	111.7	F492 F500 L539 L660 F862 M865 L866 D869	F492-F498 HydrophobicContact CD1-CB 4.5Å; F492-F498 HydrophobicContact CD1-CD2 4.13Å; F492-F498 AromaticContact CE1-CD2 3.68Å; F492-F498 HydrophobicContact CE1-CD2 3.68Å; F492-F498 HydrophobicContact CE1-CE2 4.28Å; F492-F498 AromaticContact CZ-CD2 3.88Å; F492-F498 HydrophobicContact CZ-CD2 3.88Å; F492-F498 HydrophobicContact CZ-CE2 4.27Å; F498-F500 HydrophobicContact CD1-CD1 4.42Å; F498-F500 HydrophobicContact CD1-CE1 4.19Å; F498-F500 HydrophobicContact CD1-CE2 4.28Å; F498-F500 HydrophobicContact CD1-CZ 4.13Å; F498-F500 AromaticContact CE1-CD1 3.79Å; F498-F500 HydrophobicContact CE1-CD1 3.79Å; F498-F500 AromaticContact CE1-CE1 3.76Å; F498-F500 HydrophobicContact CE1-CE1 3.76Å; F498-F500 HydrophobicContact CE1-CG 4.23Å; F498-F500 HydrophobicContact CE1-CZ 4.18Å; F498-L539 HydrophobicContact CE1-CD2 4.17Å; F498-L539 HydrophobicContact CZ-CD2 3.64Å; F498-L660 HydrophobicContact CE2-CD2 4.15Å; F498-F862 HydrophobicContact CE1-CZ 4.35Å; F498-M865 HydrophobicContact CB-CE 3.77Å; F498-M865 HydrophobicContact CB-SD 4.13Å; F498-M865 HydrophobicContact CD1-CE 4.34Å; F498-M865 HydrophobicContact CD2-CE 3.81Å; F498-M865 HydrophobicContact CD2-SD 4.42Å; F498-M865 HydrophobicContact CG-CE 3.68Å; F498-M865 HydrophobicContact CG-SD 4.48Å; F498-L866 HydrophobicContact CD1-CD2 4.47Å; F498-D869 PolarHBondContact N-OD2 2.92Å
499	Q	85.1	Confident	87.6	Confident	133 Å²	133	52 Å²	52	62%	0.621	28%	0.279	S	S	*	.			trans	-126.7	121.8	-178.9	-67.5	-169.9	-15.5	0	0	111.3	S501	Q499-S501 PolarHBondContact O-N 3.38Å
500	F	81.2	Confident	87.4	Confident	12 Å²	12	55.5 Å²	55.5	5%	0.053	29%	0.294	C	S	.	.			trans	-77.3	73.4	168.1	-57.3	-81.1	0	0	0	109.4	F498 L544 L547 I572 L866 F870 M1020	F498-F500 HydrophobicContact CD1-CD1 4.42Å; F498-F500 HydrophobicContact CD1-CE1 4.19Å; F498-F500 HydrophobicContact CD1-CE2 4.28Å; F498-F500 HydrophobicContact CD1-CZ 4.13Å; F498-F500 AromaticContact CE1-CD1 3.79Å; F498-F500 HydrophobicContact CE1-CD1 3.79Å; F498-F500 AromaticContact CE1-CE1 3.76Å; F498-F500 HydrophobicContact CE1-CE1 3.76Å; F498-F500 HydrophobicContact CE1-CG 4.23Å; F498-F500 HydrophobicContact CE1-CZ 4.18Å; F500-L544 HydrophobicContact CB-CD1 4.24Å; F500-L547 HydrophobicContact CD2-CD2 4.45Å; F500-L547 HydrophobicContact CG-CD2 4.31Å; F500-I572 HydrophobicContact CE1-CD1 3.62Å; F500-I572 HydrophobicContact CE1-CG1 3.84Å; F500-I572 HydrophobicContact CZ-CD1 3.48Å; F500-I572 VanDerWaalsContact CZ-CD1 3.48Å; F500-I572 HydrophobicContact CZ-CG1 4.21Å; F500-L866 HydrophobicContact CE2-CD2 4.05Å; F500-L866 HydrophobicContact CZ-CD1 4.29Å; F500-L866 HydrophobicContact CZ-CD2 3.59Å; F500-F870 HydrophobicContact CE2-CZ 4.11Å; F500-M1020 HydrophobicContact CD2-CE 4.41Å
501	S	67.7	Low	87.3	Confident	58 Å²	58	56.1 Å²	56.1	41%	0.406	29%	0.291	S	S	.	.			trans	-75.1	-64.9	-174.3	51.2	0	0	0	0	112.5	Q499	Q499-S501 PolarHBondContact O-N 3.38Å
502	N	81.1	Confident	86.9	Confident	75 Å²	75	58.4 Å²	58.4	40%	0.401	30%	0.296	S	S	.	.	S	Bend	trans	-106.5	140.1	-170.2	-65.4	-31.2	0	0	0	110.7	N541 W664	N502-N541 PolarHBondContact O-ND2 3.09Å; N502-W664 HydrophobicContact CB-CB 3.72Å; N502-W664 HydrophobicContact CB-CD2 4.03Å; N502-W664 HydrophobicContact CB-CE3 4.4Å; N502-W664 HydrophobicContact CB-CG 3.74Å; N502-W664 VanDerWaalsContact ND2-CG 3.29Å; N502-W664 PolarHBondContact ND2-NE1 2.94Å; N502-W664 VanDerWaalsContact ND2-NE1 3.19Å
503	A	86.1	Confident	86.6	Confident	43 Å²	43	58.1 Å²	58.1	36%	0.355	30%	0.295	S	S	.	.			trans	-66.5	138.6	168.9	0	0	0	0	0	109.6	L667	A503-L667 VanDerWaalsContact O-CD1 3.28Å; A503-L667 WeakPolarHBondContact O-CD1 3.4Å
504	C	89.5	Confident	86.3	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.02	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-150.2	128.8	175.1	-175.5	0	0	0	0	110.4	A540 N541 V663 L667 I817	C504-A540 CarbonylContact O-C 3.5Å; C504-A540 VanDerWaalsContact O-CA 3.23Å; C504-A540 WeakPolarHBondContact O-CA 3.1Å; C504-N541 PolarHBondContact N-O 2.93Å; C504-N541 PolarHBondContact O-N 3.41Å; C504-N541 VanDerWaalsContact O-O 3.13Å; C504-V663 HydrophobicContact CB-CG2 4.39Å; C504-L667 HydrophobicContact CB-CD1 4.35Å; C504-I817 VanDerWaalsContact SG-CD1 3.59Å
505	N	92.1	Very high	86.3	Confident	55 Å²	55	61.1 Å²	61.1	29%	0.294	31%	0.312	S	S	.	.			trans	-136.5	149.9	178.8	-75.7	-65.8	0	0	0	110.3	T816 I817	N505-T816 HydrophobicContact CB-CG2 3.78Å; N505-T816 WeakPolarHBondContact O-CB 3.33Å; N505-I817 PolarHBondContact O-N 3.19Å
506	F	94.7	Very high	86	Confident	19 Å²	19	57.3 Å²	57.3	8%	0.083	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.3	178	-61.8	-85.1	0	0	0	110.6	L538 A540 L575 I621 V663 I817 V819 V834	F506-L538 HydrophobicContact CE1-CB 4.44Å; F506-L538 HydrophobicContact CE1-CD1 4.17Å; F506-L538 HydrophobicContact CE2-CB 4.09Å; F506-L538 HydrophobicContact CZ-CB 3.68Å; F506-L538 HydrophobicContact CZ-CD1 4.2Å; F506-A540 HydrophobicContact CD2-CB 3.83Å; F506-A540 HydrophobicContact CE2-CB 3.95Å; F506-L575 HydrophobicContact CB-CD1 4.13Å; F506-L575 HydrophobicContact CD1-CB 4.45Å; F506-L575 HydrophobicContact CD1-CD2 3.92Å; F506-L575 HydrophobicContact CD2-CB 3.75Å; F506-L575 HydrophobicContact CE1-CD2 4.26Å; F506-L575 HydrophobicContact CE2-CB 3.98Å; F506-L575 HydrophobicContact CG-CB 4.04Å; F506-L575 HydrophobicContact CG-CD1 4.32Å; F506-L575 HydrophobicContact CG-CD2 4.16Å; F506-L575 HydrophobicContact CG-CG 4.41Å; F506-L575 HydrophobicContact CZ-CB 4.44Å; F506-I621 HydrophobicContact CD1-CD1 4.11Å; F506-I621 HydrophobicContact CE1-CD1 3.97Å; F506-V663 HydrophobicContact CZ-CB 4.29Å; F506-V663 HydrophobicContact CZ-CG1 4.35Å; F506-V663 HydrophobicContact CZ-CG2 4.19Å; F506-I817 CarbonylContact C-O 3.55Å; F506-I817 WeakPolarHBondContact CA-O 3.45Å; F506-I817 HydrophobicContact CD1-CB 3.6Å; F506-I817 HydrophobicContact CD1-CD1 4.29Å; F506-I817 HydrophobicContact CD1-CG1 4.43Å; F506-I817 HydrophobicContact CD1-CG2 3.8Å; F506-I817 HydrophobicContact CE1-CB 3.8Å; F506-I817 HydrophobicContact CE1-CD1 3.62Å; F506-I817 HydrophobicContact CE1-CG1 4.24Å; F506-I817 HydrophobicContact CE1-CG2 3.83Å; F506-I817 HydrophobicContact CZ-CD1 4.05Å; F506-V819 HydrophobicContact CB-CG2 3.79Å; F506-V819 HydrophobicContact CD1-CG2 3.91Å; F506-V819 HydrophobicContact CG-CG2 4.26Å; F506-V834 HydrophobicContact CB-CG2 4.06Å
507	H	93.3	Very high	85.7	Confident	45 Å²	45	53.7 Å²	53.7	21%	0.208	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.6	172.6	-178.2	85.1	0	0	0	109.2	L509 T816 I817 L818 V819	H507-L509 WeakPolarHBondContact NE2-CD2 3.39Å; H507-T816 WeakPolarHBondContact CB-OG1 3.25Å; H507-I817 PolarHBondContact N-O 3.34Å; H507-L818 HydrophobicContact CB-CD2 4.25Å; H507-V819 PolarHBondContact O-N 3.27Å
508	I	93.8	Very high	85.4	Confident	53 Å²	53	61.4 Å²	61.4	27%	0.272	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.2	-176.9	-50.7	179.7	0	0	0	109.4	L575 V819 P821 C832 V834	I508-L575 HydrophobicContact CD1-CD1 3.7Å; I508-L575 HydrophobicContact CG1-CD1 4.01Å; I508-V819 HydrophobicContact CB-CB 4.44Å; I508-V819 HydrophobicContact CG1-CB 4.14Å; I508-V819 HydrophobicContact CG1-CG2 4.16Å; I508-V819 HydrophobicContact CG2-CB 4.48Å; I508-P821 HydrophobicContact CG2-CG 3.66Å; I508-C832 HydrophobicContact CD1-CB 3.9Å; I508-C832 WeakPolarHBondContact CD1-O 3.31Å; I508-C832 HydrophobicContact CG2-CB 4.42Å; I508-V834 HydrophobicContact CD1-CG2 4.1Å; I508-V834 HydrophobicContact CG1-CG2 4.46Å
509	L	91.8	Very high	85.3	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-85.5	151	-179.1	-70.3	166.3	0	0	0	111.5	H507 V513 L811 L818 V819 Y820 W823	H507-L509 WeakPolarHBondContact NE2-CD2 3.39Å; L509-V513 HydrophobicContact CB-CB 4.24Å; L509-V513 HydrophobicContact CB-CG1 4.39Å; L509-V513 HydrophobicContact CD1-CG1 4.28Å; L509-V513 HydrophobicContact CD2-CG1 4.33Å; L509-L811 HydrophobicContact CD2-CD2 4.04Å; L509-L818 HydrophobicContact CD1-CB 4.26Å; L509-L818 HydrophobicContact CD1-CD1 4.32Å; L509-L818 HydrophobicContact CD1-CD2 4.25Å; L509-V819 PolarHBondContact N-O 3.34Å; L509-Y820 HydrophobicContact CB-CD1 4.36Å; L509-Y820 HydrophobicContact CB-CE1 4.32Å; L509-Y820 HydrophobicContact CD1-CD1 4.02Å; L509-Y820 HydrophobicContact CD1-CE1 3.3Å; L509-Y820 HydrophobicContact CD1-CE2 3.99Å; L509-Y820 VanDerWaalsContact CD1-OH 3.3Å; L509-Y820 WeakPolarHBondContact CD1-OH 3.29Å; L509-Y820 HydrophobicContact CG-CE1 4.43Å; L509-W823 VanDerWaalsContact O-CZ2 3.31Å; L509-W823 WeakPolarHBondContact O-CZ2 3.18Å
510	H	88.7	Confident	85.3	Confident	87 Å²	87	63.4 Å²	63.4	40%	0.403	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-76.8	158	-175.8	-171.3	-104.2	0	0	0	112.4	E512 V513 R808 W823	H510-E512 IonicContact CE1-OE1 3.32Å; H510-E512 PolarHBondContact CE1-OE1 3.44Å; H510-E512 VanDerWaalsContact CE1-OE1 3.28Å; H510-E512 IonicContact ND1-OE1 3.64Å; H510-E512 IonicContact ND1-OE2 2.83Å; H510-E512 PolarHBondContact O-N 2.82Å; H510-V513 HydrophobicContact CB-CG2 4.32Å; H510-V513 WeakPolarHBondContact O-CB 3.37Å; H510-V513 PolarHBondContact O-N 2.57Å; H510-R808 HydrophobicContact CB-CB 4.35Å; H510-R808 HydrophobicContact CB-CG 4.2Å; H510-R808 VanDerWaalsContact ND1-CD 3.29Å; H510-R808 WeakPolarHBondContact ND1-CD 3.4Å; H510-W823 WeakPolarHBondContact O-CH2 3.38Å
511	K	86.3	Confident	85.6	Confident	138 Å²	138	64.2 Å²	64.2	60%	0.6	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-17.4	179.8	-176.7	168.2	178.6	179.6	0	116.5	W823	K511-W823 VanDerWaalsContact CA-CH2 3.46Å; K511-W823 HydrophobicContact CB-CD2 3.79Å; K511-W823 HydrophobicContact CB-CE3 4.05Å; K511-W823 HydrophobicContact CB-CG 4.3Å; K511-W823 HydrophobicContact CB-CH2 4.41Å; K511-W823 HydrophobicContact CB-CZ2 4.13Å; K511-W823 HydrophobicContact CB-CZ3 4.37Å; K511-W823 HydrophobicContact CD-CB 4.1Å; K511-W823 HydrophobicContact CD-CD2 4.23Å; K511-W823 HydrophobicContact CD-CG 3.94Å; K511-W823 HydrophobicContact CG-CB 4.46Å; K511-W823 HydrophobicContact CG-CD2 3.75Å; K511-W823 HydrophobicContact CG-CE3 3.85Å; K511-W823 HydrophobicContact CG-CG 4.02Å
512	E	83	Confident	86.7	Confident	83 Å²	83	65.1 Å²	65.1	39%	0.388	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-2	-179.4	-63	164.9	-161.2	0	0	113.4	H510 R808 Y809	H510-E512 IonicContact CE1-OE1 3.32Å; H510-E512 PolarHBondContact CE1-OE1 3.44Å; H510-E512 VanDerWaalsContact CE1-OE1 3.28Å; H510-E512 IonicContact ND1-OE1 3.64Å; H510-E512 IonicContact ND1-OE2 2.83Å; H510-E512 PolarHBondContact O-N 2.82Å; E512-R808 VanDerWaalsContact CD-NH2 3.28Å; E512-R808 IonicContact OE1-CZ 3.76Å; E512-R808 IonicContact OE1-NE 3.89Å; E512-R808 IonicContact OE1-NH2 2.66Å; E512-R808 PolarHBondContact OE1-NH2 3.2Å; E512-R808 VanDerWaalsContact OE1-NH2 3.09Å; E512-R808 IonicContact OE2-CZ 2.77Å; E512-R808 IonicContact OE2-NE 2.72Å; E512-R808 PolarHBondContact OE2-NE 3.36Å; E512-R808 IonicContact OE2-NH2 3.79Å; E512-R808 PolarHBondContact OE2-NH2 2.86Å; E512-Y809 PolarHBondContact O-OH 3.43Å
513	V	85.8	Confident	87	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.006	33%	0.334	C	S	.	.	S	Bend	trans	-96.5	99.2	-179.7	-174.5	0	0	0	0	108.6	L509 H510 L680 Y809 Y820	L509-V513 HydrophobicContact CB-CB 4.24Å; L509-V513 HydrophobicContact CB-CG1 4.39Å; L509-V513 HydrophobicContact CD1-CG1 4.28Å; L509-V513 HydrophobicContact CD2-CG1 4.33Å; H510-V513 HydrophobicContact CB-CG2 4.32Å; H510-V513 WeakPolarHBondContact O-CB 3.37Å; H510-V513 PolarHBondContact O-N 2.57Å; V513-L680 HydrophobicContact CG1-CD2 3.42Å; V513-L680 VanDerWaalsContact CG1-CD2 3.42Å; V513-Y809 HydrophobicContact CB-CE1 4.45Å; V513-Y809 HydrophobicContact CG1-CD1 4.19Å; V513-Y809 HydrophobicContact CG1-CE1 3.93Å; V513-Y809 HydrophobicContact CG2-CD2 4.06Å; V513-Y809 HydrophobicContact CG2-CE1 4.34Å; V513-Y809 HydrophobicContact CG2-CE2 3.82Å; V513-Y809 HydrophobicContact CG2-CG 4.41Å; V513-Y820 HydrophobicContact CG1-CE1 4.35Å
514	D	82.6	Confident	87	Confident	80 Å²	80	63.8 Å²	63.8	43%	0.428	34%	0.335	S	S	.	.			trans	-64.4	127.3	-179	-74.4	-56.3	0	0	0	111.5	Q683 K687	D514-Q683 PolarHBondContact O-NE2 2.94Å; D514-K687 WeakPolarHBondContact OD2-CE 3.38Å; D514-K687 IonicContact OD2-NZ 3.18Å; D514-K687 PolarHBondContact OD2-NZ 2.92Å
515	P	83.2	Confident	87	Confident	56 Å²	56	64.1 Å²	64.1	36%	0.364	34%	0.337	S	S	.	.			trans	-57.4	133.2	179.9	-25.4	32.8	0	0	0	112.8	V517 Y820	P515-V517 PolarHBondContact O-N 2.88Å; P515-Y820 HydrophobicContact CB-CD1 3.94Å; P515-Y820 HydrophobicContact CB-CE1 4.18Å; P515-Y820 HydrophobicContact CB-CG 4.18Å; P515-Y820 HydrophobicContact CG-CD1 3.68Å; P515-Y820 HydrophobicContact CG-CE1 4.31Å; P515-Y820 HydrophobicContact CG-CG 4.02Å
516	P	76.4	Confident	86.7	Confident	28 Å²	28	67.9 Å²	67.9	18%	0.182	36%	0.364	C	S	.	.	S	Bend	trans	-69.5	-7.5	-176.6	29	-36.7	0	0	0	113.7	L676 R679 Y820	P516-L676 HydrophobicContact CG-CD2 4.22Å; P516-R679 HydrophobicContact CB-CG 4.4Å; P516-R679 PolarHBondContact O-NH1 3.33Å; P516-Y820 WeakPolarHBondContact CD-OH 3.47Å
517	V	81.3	Confident	86.5	Confident	107 Å²	107	68.9 Å²	68.9	65%	0.648	37%	0.37	S	S	*	.	S	Bend	trans	-137.3	128.3	170.6	-179.8	0	0	0	0	107.2	P515 N519	P515-V517 PolarHBondContact O-N 2.88Å; V517-N519 PolarHBondContact O-N 3.5Å
518	K	81.4	Confident	86.3	Confident	192 Å²	192	67.6 Å²	67.6	84%	0.835	37%	0.366	S	S	*	.			trans	-68.3	128.7	179.2	-67.7	-175.9	179.4	179.6	0	110.4	T520	K518-T520 PolarHBondContact O-N 3.06Å
519	N	85.5	Confident	86.1	Confident	69 Å²	69	67.4 Å²	67.4	37%	0.369	37%	0.365	S	S	.	.			trans	-76.6	119.1	-179.7	-169.3	-0.9	0	0	0	111.1	V517 S521 R616	V517-N519 PolarHBondContact O-N 3.5Å; N519-S521 VanDerWaalsContact OD1-CB 3.28Å; N519-S521 WeakPolarHBondContact OD1-CB 3.33Å; N519-S521 PolarHBondContact OD1-N 3.37Å; N519-S521 VanDerWaalsContact OD1-N 3.14Å; N519-S521 PolarHBondContact OD1-OG 3.19Å; N519-R616 PolarHBondContact ND2-O 3.36Å
520	T	85.8	Confident	86.1	Confident	124 Å²	124	68.5 Å²	68.5	76%	0.761	37%	0.37	S	S	*	.			trans	-97.9	1.3	-179.6	50.2	0	0	0	0	113.6	K518	K518-T520 PolarHBondContact O-N 3.06Å
521	S	88.4	Confident	86.2	Confident	29 Å²	29	66.6 Å²	66.6	20%	0.203	37%	0.365	C	S	.	.			trans	-77.9	127.6	-169.5	-43.3	0	0	0	0	112.6	N519 R616	N519-S521 VanDerWaalsContact OD1-CB 3.28Å; N519-S521 WeakPolarHBondContact OD1-CB 3.33Å; N519-S521 PolarHBondContact OD1-N 3.37Å; N519-S521 VanDerWaalsContact OD1-N 3.14Å; N519-S521 PolarHBondContact OD1-OG 3.19Å; S521-R616 WeakPolarHBondContact OG-CD 3.42Å; S521-R616 VanDerWaalsContact OG-CG 3.26Å; S521-R616 WeakPolarHBondContact OG-CG 3.18Å
522	V	89.5	Confident	86.7	Confident	76 Å²	76	61.2 Å²	61.2	46%	0.461	34%	0.341	S	S	.	.			trans	-88.8	120.2	178.9	-175.8	0	0	0	0	110.7	P525 L595 R613	V522-P525 HydrophobicContact CG1-CB 4.03Å; V522-L595 HydrophobicContact CB-CD1 4.3Å; V522-R613 PolarHBondContact O-NH1 3.46Å
523	L	88.1	Confident	87.3	Confident	21 Å²	21	57.3 Å²	57.3	11%	0.11	32%	0.323	C	S	.	.	S	Bend	trans	-74.3	-56.9	179.8	-177.6	60.6	0	0	0	112.7	P525 R613 C614 A617 L618 A825	L523-P525 WeakPolarHBondContact O-CD 3.47Å; L523-R613 PolarHBondContact O-NH1 3Å; L523-C614 HydrophobicContact CD1-CB 4.3Å; L523-A617 HydrophobicContact CB-CB 3.96Å; L523-A617 HydrophobicContact CD1-CB 4.23Å; L523-L618 HydrophobicContact CD1-CD1 4.28Å; L523-L618 HydrophobicContact CD1-CD2 4.16Å; L523-L618 HydrophobicContact CD1-CG 3.91Å; L523-L618 HydrophobicContact CD2-CD2 3.74Å; L523-L618 HydrophobicContact CD2-CG 4.41Å; L523-A825 HydrophobicContact CD2-CB 4.11Å
524	D	86.7	Confident	87.8	Confident	70 Å²	70	57.2 Å²	57.2	37%	0.374	32%	0.322	S	S	.	.	S	Bend	trans	-120	80.2	-176.4	-62.8	-41.6	0	0	0	110.4
525	P	88.8	Confident	88.6	Confident	9 Å²	9	54.3 Å²	54.3	6%	0.058	31%	0.306	C	S	.	.			trans	-67.4	166.1	176.8	28	-35.2	0	0	0	113.1	V522 L523 D527 V528 S592 L595	V522-P525 HydrophobicContact CG1-CB 4.03Å; L523-P525 WeakPolarHBondContact O-CD 3.47Å; P525-D527 WeakPolarHBondContact CG-OD1 3.49Å; P525-D527 PolarHBondContact O-N 3.01Å; P525-V528 HydrophobicContact CG-CG2 3.84Å; P525-V528 VanDerWaalsContact O-CG2 3.31Å; P525-V528 WeakPolarHBondContact O-CG2 3.44Å; P525-V528 PolarHBondContact O-N 3.28Å; P525-S592 VanDerWaalsContact CG-CB 3.48Å; P525-S592 WeakPolarHBondContact CG-OG 3.4Å; P525-L595 HydrophobicContact CB-CD1 4.02Å; P525-L595 HydrophobicContact CG-CD1 3.95Å
526	P	86.1	Confident	89.3	Confident	135 Å²	135	51.6 Å²	51.6	88%	0.877	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19	-174.7	-21.7	34.3	0	0	0	115.2
527	D	89.6	Confident	90.3	Very high	39 Å²	39	50.3 Å²	50.3	21%	0.209	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.7	-174.7	73.7	-33.6	0	0	0	114.1	P525 N529 S592 P593 S594	P525-D527 WeakPolarHBondContact CG-OD1 3.49Å; P525-D527 PolarHBondContact O-N 3.01Å; D527-N529 PolarHBondContact O-N 3.28Å; D527-S592 VanDerWaalsContact CG-OG 3.25Å; D527-S592 PolarHBondContact OD1-OG 3.1Å; D527-S592 PolarHBondContact OD2-OG 3.02Å; D527-S592 VanDerWaalsContact OD2-OG 3.08Å; D527-P593 WeakPolarHBondContact OD2-CD 3.26Å; D527-S594 PolarHBondContact OD1-OG 3.17Å; D527-S594 WeakPolarHBondContact OD2-CB 3.19Å; D527-S594 PolarHBondContact OD2-N 3.23Å; D527-S594 PolarHBondContact OD2-OG 2.87Å
528	V	89.4	Confident	91	Very high	18 Å²	18	45.2 Å²	45.2	11%	0.109	25%	0.249	C	C	.	.			trans	-41.7	133.1	-178.6	158.2	0	0	0	0	112.4	P525 H590	P525-V528 HydrophobicContact CG-CG2 3.84Å; P525-V528 VanDerWaalsContact O-CG2 3.31Å; P525-V528 WeakPolarHBondContact O-CG2 3.44Å; P525-V528 PolarHBondContact O-N 3.28Å; V528-H590 HydrophobicContact CG1-CB 3.55Å
529	N	89.8	Confident	91.6	Very high	50 Å²	50	36.5 Å²	36.5	27%	0.267	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.1	173.9	-170.4	-5.3	0	0	0	110.4	D527 T531 W591	D527-N529 PolarHBondContact O-N 3.28Å; N529-T531 PolarHBondContact OD1-N 2.83Å; N529-T531 VanDerWaalsContact OD1-N 3.16Å; N529-T531 PolarHBondContact OD1-OG1 2.8Å; N529-W591 HydrophobicContact CB-CD2 4.48Å; N529-W591 HydrophobicContact CB-CE3 3.75Å; N529-W591 HydrophobicContact CB-CZ3 3.98Å; N529-W591 PolarHBondContact N-O 2.98Å; N529-W591 WeakPolarHBondContact ND2-CZ3 3.46Å
530	H	91	Very high	92	Very high	27 Å²	27	33.2 Å²	33.2	13%	0.125	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-5.1	-177	-65.9	-84.9	0	0	0	114	Y532 H590 E654	H530-Y532 PolarHBondContact O-N 3.27Å; H530-H590 AromaticContact CE1-CE1 3.51Å; H530-H590 AromaticContact CE1-ND1 3.7Å; H530-H590 AromaticContact CE1-NE2 3.68Å; H530-H590 AromaticContact ND1-CD2 3.28Å; H530-H590 PolarHBondContact ND1-CD2 3.47Å; H530-H590 VanDerWaalsContact ND1-CD2 3.28Å; H530-H590 AromaticContact ND1-CE1 3.42Å; H530-H590 PolarHBondContact ND1-CE1 2.95Å; H530-H590 AromaticContact ND1-CG 3.66Å; H530-H590 AromaticContact ND1-ND1 3.74Å; H530-H590 AromaticContact ND1-NE2 3.09Å; H530-H590 PolarHBondContact ND1-NE2 3.17Å; H530-E654 WeakPolarHBondContact O-CB 3.48Å; H530-E654 VanDerWaalsContact O-CG 3.3Å; H530-E654 WeakPolarHBondContact O-CG 3.34Å
531	T	92.4	Very high	92.2	Very high	47 Å²	47	27.6 Å²	27.6	29%	0.288	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	-28.2	173.7	-46.2	0	0	0	0	112.9	N529 T655	N529-T531 PolarHBondContact OD1-N 2.83Å; N529-T531 VanDerWaalsContact OD1-N 3.16Å; N529-T531 PolarHBondContact OD1-OG1 2.8Å; T531-T655 PolarHBondContact O-N 3.44Å
532	Y	95.1	Very high	92.2	Very high	24 Å²	24	26.8 Å²	26.8	9%	0.094	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.5	178.7	-76.7	-80.7	0	0	0	112.8	H530 W591 P600 E601 L607 T655	H530-Y532 PolarHBondContact O-N 3.27Å; Y532-W591 HydrophobicContact CD2-CE3 4.35Å; Y532-W591 WeakPolarHBondContact O-CB 3.47Å; Y532-W591 PolarHBondContact O-N 3.26Å; Y532-P600 HydrophobicContact CD2-CB 4.15Å; Y532-P600 HydrophobicContact CD2-CG 3.54Å; Y532-P600 HydrophobicContact CE2-CG 3.88Å; Y532-P600 HydrophobicContact CG-CB 4.32Å; Y532-P600 HydrophobicContact CG-CG 4.16Å; Y532-E601 HydrophobicContact CE2-CG 4.19Å; Y532-E601 VanDerWaalsContact OH-CG 3.3Å; Y532-E601 WeakPolarHBondContact OH-CG 3.4Å; Y532-L607 HydrophobicContact CD1-CD1 4.14Å; Y532-L607 HydrophobicContact CD1-CD2 4.21Å; Y532-L607 HydrophobicContact CG-CD2 4.19Å; Y532-T655 WeakPolarHBondContact CA-O 3.1Å; Y532-T655 HydrophobicContact CD1-CG2 4.23Å; Y532-T655 HydrophobicContact CE1-CG2 3.83Å
533	S	96.1	Very high	92.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.1	164	179.7	0	0	0	0	110.2	K535 G589 T655 V656 V657	S533-K535 WeakPolarHBondContact OG-CE 3.44Å; S533-G589 CarbonylContact C-O 3.56Å; S533-G589 VanDerWaalsContact CA-O 3.27Å; S533-G589 WeakPolarHBondContact CA-O 3.47Å; S533-G589 WeakPolarHBondContact CB-O 3.35Å; S533-G589 VanDerWaalsContact OG-C 3.22Å; S533-G589 PolarHBondContact OG-O 3.06Å; S533-T655 PolarHBondContact N-O 2.95Å; S533-T655 VanDerWaalsContact N-O 3.13Å; S533-V656 CarbonylContact O-C 3.51Å; S533-V656 WeakPolarHBondContact O-CA 3.48Å; S533-V657 PolarHBondContact O-N 2.87Å
534	A	97.6	Very high	92.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127	172.7	0	0	0	0	0	109.4	G588 G589 L607 T610 A611 F659	A534-G588 WeakPolarHBondContact O-CA 3.37Å; A534-G589 PolarHBondContact N-O 2.71Å; A534-G589 PolarHBondContact O-N 2.93Å; A534-G589 VanDerWaalsContact O-N 3.14Å; A534-L607 HydrophobicContact CB-CB 4.32Å; A534-L607 WeakPolarHBondContact CB-O 3.16Å; A534-T610 HydrophobicContact CB-CG2 3.79Å; A534-A611 HydrophobicContact CB-CB 4.05Å; A534-F659 HydrophobicContact CB-CD2 4.49Å; A534-F659 HydrophobicContact CB-CE2 4.16Å
535	K	97.9	Very high	92.3	Very high	18 Å²	18	27.7 Å²	27.7	8%	0.078	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.3	-179	-53.6	176.3	-173.2	168.6	0	109.7	S533 A586 I587 V656 V657 L658 F659 E854	S533-K535 WeakPolarHBondContact OG-CE 3.44Å; K535-A586 HydrophobicContact CB-CB 3.87Å; K535-A586 HydrophobicContact CD-CB 4.23Å; K535-I587 CarbonylContact C-O 3.59Å; K535-I587 WeakPolarHBondContact CA-O 3.46Å; K535-V656 HydrophobicContact CD-CG1 3.66Å; K535-V656 HydrophobicContact CG-CG1 4.14Å; K535-V657 PolarHBondContact N-O 2.75Å; K535-L658 HydrophobicContact CB-CD2 3.88Å; K535-L658 HydrophobicContact CD-CD2 4.46Å; K535-L658 WeakPolarHBondContact O-CA 3.2Å; K535-F659 PolarHBondContact O-N 3.47Å; K535-E854 WeakPolarHBondContact CD-OE2 3.26Å; K535-E854 IonicContact NZ-OE1 2.66Å; K535-E854 PolarHBondContact NZ-OE1 3.36Å; K535-E854 IonicContact NZ-OE2 2.66Å; K535-E854 PolarHBondContact NZ-OE2 3.17Å
536	V	97.8	Very high	92.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.5	-179.3	-74.3	0	0	0	0	111.7	L538 I587 A611 C615 L623 W629 F659 P661	V536-L538 HydrophobicContact CB-CD2 3.75Å; V536-L538 HydrophobicContact CG2-CD2 3.77Å; V536-L538 HydrophobicContact CG2-CG 4.31Å; V536-I587 HydrophobicContact CG2-CB 4.1Å; V536-I587 HydrophobicContact CG2-CG2 4.32Å; V536-I587 VanDerWaalsContact CG2-O 3.25Å; V536-I587 WeakPolarHBondContact CG2-O 3.5Å; V536-I587 PolarHBondContact N-O 2.68Å; V536-I587 PolarHBondContact O-N 3.43Å; V536-I587 VanDerWaalsContact O-N 3.15Å; V536-A611 HydrophobicContact CG1-CB 3.97Å; V536-C615 HydrophobicContact CG2-CB 4.13Å; V536-L623 HydrophobicContact CG1-CD1 4.3Å; V536-L623 HydrophobicContact CG2-CD1 4.09Å; V536-W629 HydrophobicContact CG1-CH2 4.39Å; V536-W629 HydrophobicContact CG1-CZ3 3.77Å; V536-F659 WeakPolarHBondContact CA-O 3.46Å; V536-F659 HydrophobicContact CG1-CB 3.89Å; V536-P661 HydrophobicContact CB-CG 4.48Å; V536-P661 HydrophobicContact CG1-CG 4.14Å
537	M	97.1	Very high	92.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.126	C	C	.	.			trans	-115.8	109.5	168.1	-70.4	-67.1	-75	0	0	107.6	F574 V576 A586 F659 L660 L840 V855 F858	M537-F574 HydrophobicContact CB-CD1 4.29Å; M537-F574 HydrophobicContact CE-CB 4.2Å; M537-F574 HydrophobicContact CE-CG 4.31Å; M537-V576 HydrophobicContact CE-CG1 3.72Å; M537-V576 HydrophobicContact SD-CG1 4Å; M537-A586 HydrophobicContact CG-CB 4.46Å; M537-A586 HydrophobicContact SD-CB 3.94Å; M537-F659 PolarHBondContact N-O 2.84Å; M537-F659 VanDerWaalsContact N-O 3.08Å; M537-L660 WeakPolarHBondContact O-CD1 3.31Å; M537-L840 HydrophobicContact CE-CD1 4.09Å; M537-V855 HydrophobicContact CE-CG1 3.99Å; M537-V855 HydrophobicContact SD-CG2 4.25Å; M537-F858 HydrophobicContact CB-CD1 4.02Å; M537-F858 HydrophobicContact CB-CD2 4.13Å; M537-F858 HydrophobicContact CB-CE1 3.62Å; M537-F858 HydrophobicContact CB-CE2 3.73Å; M537-F858 HydrophobicContact CB-CG 4.27Å; M537-F858 HydrophobicContact CB-CZ 3.48Å; M537-F858 VanDerWaalsContact CB-CZ 3.48Å; M537-F858 HydrophobicContact CE-CD1 3.54Å; M537-F858 HydrophobicContact CE-CE1 3.94Å; M537-F858 HydrophobicContact CE-CG 4.23Å; M537-F858 HydrophobicContact CG-CB 4.41Å; M537-F858 HydrophobicContact CG-CD1 3.73Å; M537-F858 HydrophobicContact CG-CD2 3.81Å; M537-F858 HydrophobicContact CG-CE1 3.9Å; M537-F858 HydrophobicContact CG-CE2 3.97Å; M537-F858 HydrophobicContact CG-CG 3.7Å; M537-F858 HydrophobicContact CG-CZ 4.02Å; M537-F858 HydrophobicContact SD-CD1 4.46Å
538	L	96.3	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	110.1	-170.2	-55	-170.2	0	0	0	110.3	F506 V536 F574 L575 I621 L623 P661 V663	F506-L538 HydrophobicContact CE1-CB 4.44Å; F506-L538 HydrophobicContact CE1-CD1 4.17Å; F506-L538 HydrophobicContact CE2-CB 4.09Å; F506-L538 HydrophobicContact CZ-CB 3.68Å; F506-L538 HydrophobicContact CZ-CD1 4.2Å; V536-L538 HydrophobicContact CB-CD2 3.75Å; V536-L538 HydrophobicContact CG2-CD2 3.77Å; V536-L538 HydrophobicContact CG2-CG 4.31Å; L538-F574 CarbonylContact O-C 3.48Å; L538-F574 VanDerWaalsContact O-CA 3.25Å; L538-F574 WeakPolarHBondContact O-CA 3.24Å; L538-L575 HydrophobicContact CB-CB 4.2Å; L538-L575 HydrophobicContact CD1-CD2 4.21Å; L538-L575 PolarHBondContact O-N 3.33Å; L538-I621 HydrophobicContact CD1-CD1 3.88Å; L538-L623 HydrophobicContact CD1-CD2 4.4Å; L538-L623 HydrophobicContact CD2-CD1 4.05Å; L538-L623 HydrophobicContact CD2-CD2 4.27Å; L538-P661 HydrophobicContact CD2-CG 3.52Å; L538-V663 HydrophobicContact CB-CG1 4.07Å; L538-V663 HydrophobicContact CD1-CG1 4.39Å; L538-V663 HydrophobicContact CD2-CG1 3.71Å; L538-V663 HydrophobicContact CG-CG1 4.27Å
539	L	95.1	Very high	92.5	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.042	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	133.1	-177.7	-179.7	66.5	0	0	0	111.8	F498 I572 F574 L660 V663 F862	F498-L539 HydrophobicContact CE1-CD2 4.17Å; F498-L539 HydrophobicContact CZ-CD2 3.64Å; L539-I572 HydrophobicContact CD1-CG2 3.9Å; L539-F574 HydrophobicContact CB-CD1 4.38Å; L539-F574 HydrophobicContact CB-CE1 4.1Å; L539-F574 HydrophobicContact CD1-CD1 4.35Å; L539-F574 HydrophobicContact CD1-CE1 3.69Å; L539-F574 HydrophobicContact CD1-CZ 3.82Å; L539-L660 HydrophobicContact CB-CD1 4.12Å; L539-V663 WeakPolarHBondContact O-CG2 3.35Å; L539-F862 HydrophobicContact CD1-CZ 4.26Å
540	A	93.4	Very high	92.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.7	169	0	0	0	0	0	109.4	C504 F506 K573 V834	C504-A540 CarbonylContact O-C 3.5Å; C504-A540 VanDerWaalsContact O-CA 3.23Å; C504-A540 WeakPolarHBondContact O-CA 3.1Å; F506-A540 HydrophobicContact CD2-CB 3.83Å; F506-A540 HydrophobicContact CE2-CB 3.95Å; A540-K573 HydrophobicContact CB-CB 4.07Å; A540-K573 PolarHBondContact N-O 3.45Å; A540-K573 CarbonylContact O-C 3.56Å; A540-K573 WeakPolarHBondContact O-CA 3.43Å; A540-K573 PolarHBondContact O-N 3.04Å; A540-V834 HydrophobicContact CB-CG1 4.22Å
541	N	89.6	Confident	92.4	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.032	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-143.9	145.9	-179.9	59.2	-93.4	0	0	0	111.4	N502 C504	N502-N541 PolarHBondContact O-ND2 3.09Å; C504-N541 PolarHBondContact N-O 2.93Å; C504-N541 PolarHBondContact O-N 3.41Å; C504-N541 VanDerWaalsContact O-O 3.13Å
542	P	89.1	Confident	92.1	Very high	12 Å²	12	22.9 Å²	22.9	8%	0.078	11%	0.112	C	C	.	.			trans	-60.3	173	166	28	-35.2	0	0	0	111.3	E546 L547 L571	P542-E546 HydrophobicContact CB-CB 4.18Å; P542-E546 HydrophobicContact CB-CG 3.95Å; P542-E546 WeakPolarHBondContact CB-OE2 3.45Å; P542-L547 HydrophobicContact CG-CB 4.16Å; P542-L547 HydrophobicContact CG-CD1 4Å; P542-L571 WeakPolarHBondContact CD-O 3.46Å
543	S	88.8	Confident	91.7	Very high	47 Å²	47	22.2 Å²	22.2	33%	0.329	11%	0.111	S	C	.	.			trans	-61.6	153.4	169	68.9	0	0	0	0	111.1	E545 E546 L547	S543-E545 VanDerWaalsContact C-N 3.25Å; S543-E545 PolarHBondContact O-N 2.93Å; S543-E546 PolarHBondContact N-OE2 2.84Å; S543-E546 PolarHBondContact O-N 3.37Å; S543-E546 WeakPolarHBondContact OG-CB 3.3Å; S543-E546 PolarHBondContact OG-N 3.26Å; S543-L547 WeakPolarHBondContact O-CB 3.35Å; S543-L547 PolarHBondContact O-N 3.34Å
544	L	89.3	Confident	91.3	Very high	59 Å²	59	22.1 Å²	22.1	31%	0.309	11%	0.111	S	C	.	.	H	α-helix	trans	-60.6	-35.6	-177.7	-177.1	56.5	0	0	0	112.5	F500 L547 Y548 M1020	F500-L544 HydrophobicContact CB-CD1 4.24Å; L544-L547 HydrophobicContact CD1-CD2 4.28Å; L544-L547 WeakPolarHBondContact O-CB 3.5Å; L544-L547 PolarHBondContact O-N 3.38Å; L544-Y548 HydrophobicContact CD1-CE1 4.01Å; L544-Y548 HydrophobicContact CD1-CE2 4.03Å; L544-Y548 HydrophobicContact CD2-CE2 4.28Å; L544-Y548 HydrophobicContact CG-CD2 4.38Å; L544-Y548 HydrophobicContact CG-CE2 3.68Å; L544-Y548 VanDerWaalsContact O-CD2 3.22Å; L544-Y548 WeakPolarHBondContact O-CD2 3.39Å; L544-Y548 PolarHBondContact O-N 3.38Å; L544-M1020 HydrophobicContact CD1-CE 4.33Å
545	E	88.6	Confident	90.6	Very high	80 Å²	80	23.4 Å²	23.4	37%	0.374	12%	0.122	S	C	.	.	H	α-helix	trans	-68.8	-44.5	176.3	-169.3	72.9	158	0	0	111.9	S543 L547 Y548 H549 R1016	S543-E545 VanDerWaalsContact C-N 3.25Å; S543-E545 PolarHBondContact O-N 2.93Å; E545-L547 VanDerWaalsContact C-N 3.31Å; E545-L547 PolarHBondContact O-N 3.15Å; E545-Y548 WeakPolarHBondContact O-CB 3.47Å; E545-Y548 PolarHBondContact O-N 2.7Å; E545-H549 PolarHBondContact O-CD2 3.07Å; E545-H549 PolarHBondContact O-N 2.88Å; E545-H549 IonicContact OE1-NE2 3.44Å; E545-R1016 IonicContact OE1-CZ 2.68Å; E545-R1016 IonicContact OE1-NH1 2.67Å; E545-R1016 PolarHBondContact OE1-NH1 3.27Å; E545-R1016 IonicContact OE1-NH2 2.7Å; E545-R1016 IonicContact OE2-CZ 3.84Å; E545-R1016 IonicContact OE2-NH1 2.6Å; E545-R1016 PolarHBondContact OE2-NH1 2.77Å
546	E	88.5	Confident	90	Very high	62 Å²	62	25.2 Å²	25.2	29%	0.29	13%	0.13	S	C	.	.	H	α-helix	trans	-63.5	-36.2	174.2	-177.2	-165	172.5	0	0	112	P542 S543 H549 K550	P542-E546 HydrophobicContact CB-CB 4.18Å; P542-E546 HydrophobicContact CB-CG 3.95Å; P542-E546 WeakPolarHBondContact CB-OE2 3.45Å; S543-E546 PolarHBondContact N-OE2 2.84Å; S543-E546 PolarHBondContact O-N 3.37Å; S543-E546 WeakPolarHBondContact OG-CB 3.3Å; S543-E546 PolarHBondContact OG-N 3.26Å; E546-H549 PolarHBondContact O-N 3.04Å; E546-K550 HydrophobicContact CG-CD 3.94Å; E546-K550 HydrophobicContact CG-CG 4.48Å; E546-K550 VanDerWaalsContact O-CB 3.29Å; E546-K550 WeakPolarHBondContact O-CB 3.44Å; E546-K550 WeakPolarHBondContact O-CG 3.28Å; E546-K550 PolarHBondContact O-N 2.55Å; E546-K550 WeakPolarHBondContact OE1-CE 3.29Å; E546-K550 IonicContact OE1-NZ 2.73Å; E546-K550 PolarHBondContact OE1-NZ 3.48Å
547	L	89.9	Confident	89.4	Confident	1 Å²	1	26 Å²	26	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-42.8	172.7	-173	67.6	0	0	0	110.8	F500 P542 S543 L544 E545 S551 L571 M1020	F500-L547 HydrophobicContact CD2-CD2 4.45Å; F500-L547 HydrophobicContact CG-CD2 4.31Å; P542-L547 HydrophobicContact CG-CB 4.16Å; P542-L547 HydrophobicContact CG-CD1 4Å; S543-L547 WeakPolarHBondContact O-CB 3.35Å; S543-L547 PolarHBondContact O-N 3.34Å; L544-L547 HydrophobicContact CD1-CD2 4.28Å; L544-L547 WeakPolarHBondContact O-CB 3.5Å; L544-L547 PolarHBondContact O-N 3.38Å; E545-L547 VanDerWaalsContact C-N 3.31Å; E545-L547 PolarHBondContact O-N 3.15Å; L547-S551 WeakPolarHBondContact O-CB 3.15Å; L547-S551 PolarHBondContact O-N 2.89Å; L547-S551 PolarHBondContact O-OG 3.14Å; L547-L571 HydrophobicContact CD1-CB 3.68Å; L547-L571 HydrophobicContact CD1-CD1 3.85Å; L547-L571 HydrophobicContact CD1-CG 4.44Å; L547-M1020 HydrophobicContact CD2-CE 4.13Å; L547-M1020 HydrophobicContact CD2-SD 3.71Å; L547-M1020 HydrophobicContact CG-SD 3.93Å
548	Y	90.6	Very high	88.6	Confident	11 Å²	11	29.9 Å²	29.9	4%	0.043	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-52.5	174	-66.2	-39.3	0	0	0	112.1	L544 E545 K550 S551 C552 R1016 D1017 M1020	L544-Y548 HydrophobicContact CD1-CE1 4.01Å; L544-Y548 HydrophobicContact CD1-CE2 4.03Å; L544-Y548 HydrophobicContact CD2-CE2 4.28Å; L544-Y548 HydrophobicContact CG-CD2 4.38Å; L544-Y548 HydrophobicContact CG-CE2 3.68Å; L544-Y548 VanDerWaalsContact O-CD2 3.22Å; L544-Y548 WeakPolarHBondContact O-CD2 3.39Å; L544-Y548 PolarHBondContact O-N 3.38Å; E545-Y548 WeakPolarHBondContact O-CB 3.47Å; E545-Y548 PolarHBondContact O-N 2.7Å; Y548-K550 VanDerWaalsContact C-N 3.34Å; Y548-K550 PolarHBondContact O-N 3.14Å; Y548-S551 PolarHBondContact O-N 3.5Å; Y548-C552 WeakPolarHBondContact O-CA 3.46Å; Y548-C552 WeakPolarHBondContact O-CB 3.49Å; Y548-C552 PolarHBondContact O-N 2.87Å; Y548-R1016 HydrophobicContact CD1-CB 3.96Å; Y548-R1016 HydrophobicContact CD2-CB 3.8Å; Y548-R1016 HydrophobicContact CD2-CG 4.34Å; Y548-R1016 HydrophobicContact CE1-CB 3.89Å; Y548-R1016 HydrophobicContact CE2-CB 3.7Å; Y548-R1016 HydrophobicContact CG-CB 3.94Å; Y548-D1017 PolarHBondContact OH-OD1 3.33Å; Y548-D1017 VanDerWaalsContact OH-OD1 3.1Å; Y548-D1017 PolarHBondContact OH-OD2 3.27Å; Y548-D1017 VanDerWaalsContact OH-OD2 3.08Å; Y548-M1020 HydrophobicContact CD1-CB 4.4Å; Y548-M1020 HydrophobicContact CD1-CE 4.48Å; Y548-M1020 HydrophobicContact CD1-SD 3.99Å; Y548-M1020 HydrophobicContact CE1-CB 4.21Å; Y548-M1020 HydrophobicContact CE1-CE 3.8Å; Y548-M1020 HydrophobicContact CE1-SD 3.9Å
549	H	88.4	Confident	87.7	Confident	59 Å²	59	34.3 Å²	34.3	27%	0.273	18%	0.18	S	C	.	.	H	α-helix	trans	-58.8	-43.6	178.8	-69.9	-65.2	0	0	0	112.4	E545 E546 D557	E545-H549 PolarHBondContact O-CD2 3.07Å; E545-H549 PolarHBondContact O-N 2.88Å; E545-H549 IonicContact OE1-NE2 3.44Å; E546-H549 PolarHBondContact O-N 3.04Å; H549-D557 IonicContact CE1-OD1 3.22Å; H549-D557 PolarHBondContact CE1-OD1 2.84Å; H549-D557 VanDerWaalsContact CE1-OD1 3.28Å; H549-D557 IonicContact CG-OD1 2.8Å; H549-D557 IonicContact ND1-OD1 3.32Å; H549-D557 PolarHBondContact ND1-OD1 3.46Å; H549-D557 IonicContact ND1-OD2 3.86Å
550	K	89.1	Confident	86.8	Confident	92 Å²	92	41.6 Å²	41.6	40%	0.4	21%	0.214	S	C	.	.	H	α-helix	trans	-76	-22.2	-177.1	-70.7	-178.7	-179.8	176.4	0	114.6	E546 Y548 F565 Q566 L571	E546-K550 HydrophobicContact CG-CD 3.94Å; E546-K550 HydrophobicContact CG-CG 4.48Å; E546-K550 VanDerWaalsContact O-CB 3.29Å; E546-K550 WeakPolarHBondContact O-CB 3.44Å; E546-K550 WeakPolarHBondContact O-CG 3.28Å; E546-K550 PolarHBondContact O-N 2.55Å; E546-K550 WeakPolarHBondContact OE1-CE 3.29Å; E546-K550 IonicContact OE1-NZ 2.73Å; E546-K550 PolarHBondContact OE1-NZ 3.48Å; Y548-K550 VanDerWaalsContact C-N 3.34Å; Y548-K550 PolarHBondContact O-N 3.14Å; K550-F565 CarbonylContact O-C 3.54Å; K550-F565 WeakPolarHBondContact O-CA 3.2Å; K550-Q566 PolarHBondContact O-N 3.32Å; K550-L571 HydrophobicContact CB-CD1 3.63Å; K550-L571 HydrophobicContact CB-CD2 4.13Å; K550-L571 HydrophobicContact CD-CD2 4.32Å
551	S	89.6	Confident	85.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-110	-40.9	-179.2	64.5	0	0	0	0	114.9	L547 Y548 Q566	L547-S551 WeakPolarHBondContact O-CB 3.15Å; L547-S551 PolarHBondContact O-N 2.89Å; L547-S551 PolarHBondContact O-OG 3.14Å; Y548-S551 PolarHBondContact O-N 3.5Å; S551-Q566 VanDerWaalsContact CA-O 3.26Å; S551-Q566 WeakPolarHBondContact CA-O 3.19Å; S551-Q566 WeakPolarHBondContact CB-O 3.44Å
552	C	86.9	Confident	85.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-91.2	-17.9	-164.8	-65	0	0	0	0	113.6	Y548 L554 L1019 M1020 R1070	Y548-C552 WeakPolarHBondContact O-CA 3.46Å; Y548-C552 WeakPolarHBondContact O-CB 3.49Å; Y548-C552 PolarHBondContact O-N 2.87Å; C552-L554 HydrophobicContact CB-CD2 3.78Å; C552-L1019 HydrophobicContact CB-CD2 3.78Å; C552-L1019 HydrophobicContact CB-CG 3.96Å; C552-M1020 WeakPolarHBondContact SG-CA 3.18Å; C552-M1020 VanDerWaalsContact SG-CB 3.56Å; C552-R1070 PolarHBondContact O-NH2 2.6Å
553	A	84.9	Confident	84.4	Confident	9 Å²	9	51.6 Å²	51.6	7%	0.074	26%	0.263	C	S	.	.			trans	47.1	71.6	-175.8	0	0	0	0	0	111	R562 R1070	A553-R562 HydrophobicContact CB-CB 4.07Å; A553-R562 HydrophobicContact CB-CG 4.02Å; A553-R1070 PolarHBondContact O-NH1 3.34Å; A553-R1070 VanDerWaalsContact O-NH1 3.09Å; A553-R1070 PolarHBondContact O-NH2 2.88Å
554	L	88.1	Confident	83.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.			trans	-61.2	159.5	-170.1	-54	-179.6	0	0	0	111.5	C552 E556 D557 R562 T1013 R1016 L1019	C552-L554 HydrophobicContact CB-CD2 3.78Å; L554-E556 HydrophobicContact CB-CG 4.01Å; L554-E556 HydrophobicContact CD1-CG 4.45Å; L554-E556 PolarHBondContact O-N 3.23Å; L554-D557 HydrophobicContact CB-CB 4.47Å; L554-D557 WeakPolarHBondContact CB-OD2 3.5Å; L554-D557 PolarHBondContact N-OD2 2.96Å; L554-D557 PolarHBondContact O-N 2.98Å; L554-R562 WeakPolarHBondContact O-CD 3.46Å; L554-R562 PolarHBondContact O-NE 2.91Å; L554-T1013 HydrophobicContact CD2-CG2 3.98Å; L554-R1016 HydrophobicContact CD2-CG 4.2Å; L554-L1019 HydrophobicContact CD2-CD2 4.1Å
555	A	84.5	Confident	83.5	Confident	27 Å²	27	54.8 Å²	54.8	22%	0.223	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.7	179.4	0	0	0	0	0	112.6	M1011 T1013 D1074	A555-M1011 CarbonylContact C-O 2.97Å; A555-M1011 HydrophobicContact CB-CB 3.85Å; A555-M1011 WeakPolarHBondContact CB-O 3.36Å; A555-T1013 PolarHBondContact N-OG1 2.9Å; A555-T1013 VanDerWaalsContact N-OG1 3.08Å; A555-D1074 HydrophobicContact CB-CB 4.47Å
556	E	83.9	Confident	83.5	Confident	55 Å²	55	54.1 Å²	54.1	26%	0.257	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.9	174.3	56	-96.4	-138.8	0	0	115.4	L554 T1013 R1016	L554-E556 HydrophobicContact CB-CG 4.01Å; L554-E556 HydrophobicContact CD1-CG 4.45Å; L554-E556 PolarHBondContact O-N 3.23Å; E556-T1013 PolarHBondContact OE2-N 2.85Å; E556-R1016 IonicContact OE1-CZ 3.18Å; E556-R1016 IonicContact OE1-NE 3.49Å; E556-R1016 IonicContact OE1-NH2 2.86Å; E556-R1016 PolarHBondContact OE1-NH2 2.93Å
557	D	84.7	Confident	83.6	Confident	17 Å²	17	52.6 Å²	52.6	9%	0.091	27%	0.269	C	S	.	.	S	Bend	trans	-75	144.8	-169.7	-76.3	-21.9	0	0	0	114.4	H549 L554 V561 R562	H549-D557 IonicContact CE1-OD1 3.22Å; H549-D557 PolarHBondContact CE1-OD1 2.84Å; H549-D557 VanDerWaalsContact CE1-OD1 3.28Å; H549-D557 IonicContact CG-OD1 2.8Å; H549-D557 IonicContact ND1-OD1 3.32Å; H549-D557 PolarHBondContact ND1-OD1 3.46Å; H549-D557 IonicContact ND1-OD2 3.86Å; L554-D557 HydrophobicContact CB-CB 4.47Å; L554-D557 WeakPolarHBondContact CB-OD2 3.5Å; L554-D557 PolarHBondContact N-OD2 2.96Å; L554-D557 PolarHBondContact O-N 2.98Å; D557-V561 HydrophobicContact CB-CB 4.47Å; D557-V561 HydrophobicContact CB-CG1 4.48Å; D557-R562 HydrophobicContact CB-CG 3.45Å; D557-R562 VanDerWaalsContact CB-CG 3.45Å; D557-R562 WeakPolarHBondContact O-CD 3.33Å
558	P	82.3	Confident	83.7	Confident	82 Å²	82	52.6 Å²	52.6	53%	0.532	27%	0.269	S	S	.	.			trans	-55.9	145.6	168.9	-23.6	33.8	0	0	0	112.6	E560 V561 R562	P558-E560 PolarHBondContact O-N 3.29Å; P558-E560 VanDerWaalsContact O-N 3.11Å; P558-V561 HydrophobicContact CB-CG2 4.32Å; P558-V561 HydrophobicContact CG-CG2 4.36Å; P558-V561 PolarHBondContact O-N 3.48Å; P558-R562 WeakPolarHBondContact O-CG 3.49Å; P558-R562 PolarHBondContact O-N 3.2Å
559	Q	76.1	Confident	83.8	Confident	93 Å²	93	52.4 Å²	52.4	44%	0.435	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-30.6	-175	-169.3	62.4	64.4	0	0	113.2	R562 D563	Q559-R562 PolarHBondContact O-N 3.21Å; Q559-D563 PolarHBondContact NE2-OD1 2.86Å; Q559-D563 WeakPolarHBondContact O-CB 3.44Å; Q559-D563 VanDerWaalsContact O-CG 3.28Å; Q559-D563 PolarHBondContact O-N 3.13Å
560	E	77	Confident	84.1	Confident	161 Å²	161	56 Å²	56	75%	0.752	28%	0.281	S	S	*	.	H	α-helix	trans	-67.1	-41.6	177.2	-65.6	169.6	-170.5	0	0	112.2	P558 D563 S564	P558-E560 PolarHBondContact O-N 3.29Å; P558-E560 VanDerWaalsContact O-N 3.11Å; E560-D563 PolarHBondContact O-N 3.49Å; E560-S564 WeakPolarHBondContact O-CB 3.46Å; E560-S564 PolarHBondContact O-N 2.91Å; E560-S564 PolarHBondContact O-OG 3.05Å
561	V	74.6	Confident	84.3	Confident	57 Å²	57	52.3 Å²	52.3	35%	0.345	27%	0.265	S	S	.	.	H	α-helix	trans	-65.2	-44.2	173.6	-179.5	0	0	0	0	109.6	D557 P558 D563 S564	D557-V561 HydrophobicContact CB-CB 4.47Å; D557-V561 HydrophobicContact CB-CG1 4.48Å; P558-V561 HydrophobicContact CB-CG2 4.32Å; P558-V561 HydrophobicContact CG-CG2 4.36Å; P558-V561 PolarHBondContact O-N 3.48Å; V561-D563 VanDerWaalsContact C-N 3.3Å; V561-D563 PolarHBondContact O-N 2.67Å; V561-S564 PolarHBondContact O-N 2.97Å
562	R	72.4	Confident	84.5	Confident	85 Å²	85	52.3 Å²	52.3	32%	0.321	27%	0.266	S	S	.	.	H	α-helix	trans	-68.1	-24.2	179.6	-63	-176	65.5	-135.9	-8.1	114.3	A553 L554 D557 P558 Q559	A553-R562 HydrophobicContact CB-CB 4.07Å; A553-R562 HydrophobicContact CB-CG 4.02Å; L554-R562 WeakPolarHBondContact O-CD 3.46Å; L554-R562 PolarHBondContact O-NE 2.91Å; D557-R562 HydrophobicContact CB-CG 3.45Å; D557-R562 VanDerWaalsContact CB-CG 3.45Å; D557-R562 WeakPolarHBondContact O-CD 3.33Å; P558-R562 WeakPolarHBondContact O-CG 3.49Å; P558-R562 PolarHBondContact O-N 3.2Å; Q559-R562 PolarHBondContact O-N 3.21Å
563	D	74.4	Confident	84.9	Confident	87 Å²	87	56 Å²	56	47%	0.465	28%	0.282	S	S	.	.	H	α-helix	trans	-86.6	-10	173	-75.5	7.1	0	0	0	112.3	R444 Q559 E560 V561	R444-D563 IonicContact CZ-OD1 3.09Å; R444-D563 IonicContact CZ-OD2 3.36Å; R444-D563 IonicContact NH1-OD1 2.91Å; R444-D563 IonicContact NH2-OD1 3.83Å; R444-D563 PolarHBondContact NH2-OD1 2.68Å; R444-D563 IonicContact NH2-OD2 3.09Å; R444-D563 PolarHBondContact NH2-OD2 3.49Å; Q559-D563 PolarHBondContact NE2-OD1 2.86Å; Q559-D563 WeakPolarHBondContact O-CB 3.44Å; Q559-D563 VanDerWaalsContact O-CG 3.28Å; Q559-D563 PolarHBondContact O-N 3.13Å; E560-D563 PolarHBondContact O-N 3.49Å; V561-D563 VanDerWaalsContact C-N 3.3Å; V561-D563 PolarHBondContact O-N 2.67Å
564	S	78.4	Confident	85.5	Confident	88 Å²	88	55.6 Å²	55.6	62%	0.615	28%	0.278	S	S	*	.	S	Bend	trans	-110.2	21.8	-175	-55.6	0	0	0	0	114.2	E560 V561	E560-S564 WeakPolarHBondContact O-CB 3.46Å; E560-S564 PolarHBondContact O-N 2.91Å; E560-S564 PolarHBondContact O-OG 3.05Å; V561-S564 PolarHBondContact O-N 2.97Å
565	F	79.6	Confident	86	Confident	84 Å²	84	55.6 Å²	55.6	37%	0.368	28%	0.278	S	S	.	.			trans	-64.9	157.1	-174	70.2	-95.8	0	0	0	113.6	K550 H1029	K550-F565 CarbonylContact O-C 3.54Å; K550-F565 WeakPolarHBondContact O-CA 3.2Å; F565-H1029 AromaticContact CD2-CD2 3.84Å; F565-H1029 AromaticContact CD2-CE1 3.34Å; F565-H1029 WeakPolarHBondContact CD2-CE1 3.29Å; F565-H1029 AromaticContact CD2-CG 3.81Å; F565-H1029 AromaticContact CD2-ND1 3.5Å; F565-H1029 WeakPolarHBondContact CD2-ND1 3.33Å; F565-H1029 AromaticContact CD2-NE2 3.54Å; F565-H1029 HydrophobicContact CE1-CB 4.48Å; F565-H1029 HydrophobicContact CE2-CB 4.03Å; F565-H1029 AromaticContact CE2-CD2 3.23Å; F565-H1029 WeakPolarHBondContact CE2-CD2 3.45Å; F565-H1029 AromaticContact CE2-CE1 3.6Å; F565-H1029 AromaticContact CE2-CG 3.39Å; F565-H1029 AromaticContact CE2-ND1 3.61Å; F565-H1029 AromaticContact CE2-NE2 3.37Å; F565-H1029 WeakPolarHBondContact CE2-NE2 3.43Å; F565-H1029 HydrophobicContact CZ-CB 3.92Å; F565-H1029 AromaticContact CZ-CD2 3.94Å; F565-H1029 AromaticContact CZ-CG 3.82Å
566	Q	88.9	Confident	86.5	Confident	66 Å²	66	54.3 Å²	54.3	31%	0.308	27%	0.268	S	S	.	.			trans	-138	135.8	172.1	-67.6	-174.9	77.9	0	0	111.5	K550 S551 R570 L571	K550-Q566 PolarHBondContact O-N 3.32Å; S551-Q566 VanDerWaalsContact CA-O 3.26Å; S551-Q566 WeakPolarHBondContact CA-O 3.19Å; S551-Q566 WeakPolarHBondContact CB-O 3.44Å; Q566-R570 HydrophobicContact CB-CB 4.4Å; Q566-L571 HydrophobicContact CB-CD2 4.14Å; Q566-L571 HydrophobicContact CB-CG 4.28Å
567	H	91.2	Very high	87.1	Confident	31 Å²	31	51.7 Å²	51.7	14%	0.144	26%	0.255	C	S	.	.			trans	-52.7	138.4	174.3	-174.6	-95.3	0	0	0	111.7	A569 R570 Y1024	H567-A569 VanDerWaalsContact C-N 3.25Å; H567-A569 PolarHBondContact ND1-N 2.83Å; H567-A569 PolarHBondContact O-N 3.09Å; H567-R570 WeakPolarHBondContact O-CB 3.31Å; H567-R570 PolarHBondContact O-N 2.7Å; H567-Y1024 PolarHBondContact NE2-O 2.83Å
568	P	92.3	Very high	87.6	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-52.1	-36	-173.2	-29.8	35.2	0	0	0	115.3	R570 L571 I572 M1020 Y1024	P568-R570 PolarHBondContact O-N 2.92Å; P568-R570 VanDerWaalsContact O-N 3.11Å; P568-L571 PolarHBondContact O-N 3.36Å; P568-I572 WeakPolarHBondContact O-CG1 3.29Å; P568-I572 PolarHBondContact O-N 3.44Å; P568-M1020 HydrophobicContact CG-CG 4.3Å; P568-Y1024 HydrophobicContact CB-CD2 3.93Å; P568-Y1024 HydrophobicContact CB-CE2 4.28Å; P568-Y1024 HydrophobicContact CG-CD2 4.11Å
569	A	93.3	Very high	87.9	Confident	6 Å²	6	51.9 Å²	51.9	5%	0.05	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-15.2	176.9	0	0	0	0	0	114.7	H567 L837 S838	H567-A569 VanDerWaalsContact C-N 3.25Å; H567-A569 PolarHBondContact ND1-N 2.83Å; H567-A569 PolarHBondContact O-N 3.09Å; A569-L837 HydrophobicContact CB-CB 4.34Å; A569-L837 HydrophobicContact CB-CD2 4.15Å; A569-L837 HydrophobicContact CB-CG 4.34Å; A569-L837 WeakPolarHBondContact O-CB 3.44Å; A569-L837 PolarHBondContact O-N 3.28Å; A569-S838 WeakPolarHBondContact O-CB 3.43Å; A569-S838 PolarHBondContact O-N 3.44Å
570	R	93.7	Very high	88.3	Confident	134 Å²	134	49 Å²	49	51%	0.506	24%	0.24	S	C	.	.	H	α-helix	trans	-85	-22.4	171.2	-67.1	173.1	57.1	128.4	0.8	112.9	Q566 H567 P568 S836 S838	Q566-R570 HydrophobicContact CB-CB 4.4Å; H567-R570 WeakPolarHBondContact O-CB 3.31Å; H567-R570 PolarHBondContact O-N 2.7Å; P568-R570 PolarHBondContact O-N 2.92Å; P568-R570 VanDerWaalsContact O-N 3.11Å; R570-S836 WeakPolarHBondContact O-CB 3.43Å; R570-S838 WeakPolarHBondContact CG-OG 3.18Å
571	L	93.2	Very high	88.5	Confident	15 Å²	15	49.3 Å²	49.3	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-94.4	-33.6	-176.1	-59.6	175	0	0	0	111.7	P542 L547 K550 Q566 P568	P542-L571 WeakPolarHBondContact CD-O 3.46Å; L547-L571 HydrophobicContact CD1-CB 3.68Å; L547-L571 HydrophobicContact CD1-CD1 3.85Å; L547-L571 HydrophobicContact CD1-CG 4.44Å; K550-L571 HydrophobicContact CB-CD1 3.63Å; K550-L571 HydrophobicContact CB-CD2 4.13Å; K550-L571 HydrophobicContact CD-CD2 4.32Å; Q566-L571 HydrophobicContact CB-CD2 4.14Å; Q566-L571 HydrophobicContact CB-CG 4.28Å; P568-L571 PolarHBondContact O-N 3.36Å
572	I	94.4	Very high	88.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.242	C	C	.	.			trans	-73.8	128.7	169.2	-60.4	165.3	0	0	0	108.9	F500 L539 P568 F574 S836 L837 F862 L866	F500-I572 HydrophobicContact CE1-CD1 3.62Å; F500-I572 HydrophobicContact CE1-CG1 3.84Å; F500-I572 HydrophobicContact CZ-CD1 3.48Å; F500-I572 VanDerWaalsContact CZ-CD1 3.48Å; F500-I572 HydrophobicContact CZ-CG1 4.21Å; L539-I572 HydrophobicContact CD1-CG2 3.9Å; P568-I572 WeakPolarHBondContact O-CG1 3.29Å; P568-I572 PolarHBondContact O-N 3.44Å; I572-F574 HydrophobicContact CG2-CE2 4.22Å; I572-F574 HydrophobicContact CG2-CZ 4.43Å; I572-S836 WeakPolarHBondContact O-CA 3.5Å; I572-L837 HydrophobicContact CG2-CB 4.46Å; I572-L837 PolarHBondContact O-N 3.12Å; I572-F862 HydrophobicContact CG2-CE1 4.03Å; I572-L866 HydrophobicContact CD1-CD1 3.64Å
573	K	95.9	Very high	89.7	Confident	78 Å²	78	48.3 Å²	48.3	34%	0.339	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	167.1	-175.1	-56.5	176.8	-171.7	175.3	0	111.7	A540 V834 M835	A540-K573 HydrophobicContact CB-CB 4.07Å; A540-K573 PolarHBondContact N-O 3.45Å; A540-K573 CarbonylContact O-C 3.56Å; A540-K573 WeakPolarHBondContact O-CA 3.43Å; A540-K573 PolarHBondContact O-N 3.04Å; K573-V834 HydrophobicContact CB-CG1 3.84Å; K573-V834 HydrophobicContact CD-CG1 3.9Å; K573-V834 HydrophobicContact CG-CG1 4.48Å; K573-M835 CarbonylContact C-O 3.56Å; K573-M835 WeakPolarHBondContact CA-O 3.23Å; K573-M835 WeakPolarHBondContact CB-O 3.47Å
574	F	97.1	Very high	90.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.1	173.4	-62.9	-86.6	0	0	0	110.2	M537 L538 L539 I572 V576 L660 V834 M835 L837 L840 F858 F862	M537-F574 HydrophobicContact CB-CD1 4.29Å; M537-F574 HydrophobicContact CE-CB 4.2Å; M537-F574 HydrophobicContact CE-CG 4.31Å; L538-F574 CarbonylContact O-C 3.48Å; L538-F574 VanDerWaalsContact O-CA 3.25Å; L538-F574 WeakPolarHBondContact O-CA 3.24Å; L539-F574 HydrophobicContact CB-CD1 4.38Å; L539-F574 HydrophobicContact CB-CE1 4.1Å; L539-F574 HydrophobicContact CD1-CD1 4.35Å; L539-F574 HydrophobicContact CD1-CE1 3.69Å; L539-F574 HydrophobicContact CD1-CZ 3.82Å; I572-F574 HydrophobicContact CG2-CE2 4.22Å; I572-F574 HydrophobicContact CG2-CZ 4.43Å; F574-V576 HydrophobicContact CB-CG1 4.31Å; F574-L660 HydrophobicContact CE1-CD1 4.46Å; F574-V834 WeakPolarHBondContact O-CA 3.37Å; F574-M835 PolarHBondContact N-O 2.83Å; F574-M835 PolarHBondContact O-N 3.21Å; F574-L837 HydrophobicContact CE2-CB 4.41Å; F574-L837 HydrophobicContact CE2-CD1 4.29Å; F574-L840 HydrophobicContact CB-CD1 4.33Å; F574-L840 HydrophobicContact CD2-CD1 4Å; F574-F858 HydrophobicContact CD1-CE1 4.03Å; F574-F858 HydrophobicContact CD1-CZ 4.47Å; F574-F858 AromaticContact CE1-CE1 3.62Å; F574-F858 HydrophobicContact CE1-CE1 3.62Å; F574-F858 AromaticContact CE1-CZ 3.89Å; F574-F858 HydrophobicContact CE1-CZ 3.89Å; F574-F858 HydrophobicContact CE2-CE1 4.23Å; F574-F858 AromaticContact CZ-CE1 3.74Å; F574-F858 HydrophobicContact CZ-CE1 3.74Å; F574-F858 HydrophobicContact CZ-CZ 4.27Å; F574-F862 HydrophobicContact CE1-CD2 4.5Å; F574-F862 HydrophobicContact CE1-CE2 4.33Å; F574-F862 HydrophobicContact CE1-CZ 4.5Å; F574-F862 HydrophobicContact CE2-CD1 4.28Å; F574-F862 HydrophobicContact CE2-CE1 4.4Å; F574-F862 AromaticContact CZ-CD1 3.82Å; F574-F862 HydrophobicContact CZ-CD1 3.82Å; F574-F862 AromaticContact CZ-CD2 3.96Å; F574-F862 HydrophobicContact CZ-CD2 3.96Å; F574-F862 AromaticContact CZ-CE1 3.77Å; F574-F862 HydrophobicContact CZ-CE1 3.77Å; F574-F862 AromaticContact CZ-CE2 3.91Å; F574-F862 HydrophobicContact CZ-CE2 3.91Å; F574-F862 AromaticContact CZ-CG 3.92Å; F574-F862 HydrophobicContact CZ-CG 3.92Å; F574-F862 AromaticContact CZ-CZ 3.82Å; F574-F862 HydrophobicContact CZ-CZ 3.82Å
575	L	97.4	Very high	91.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.8	160.7	-173.7	79.1	0	0	0	108.1	F506 I508 L538 I587 I621 V819 C832 S833 V834	F506-L575 HydrophobicContact CB-CD1 4.13Å; F506-L575 HydrophobicContact CD1-CB 4.45Å; F506-L575 HydrophobicContact CD1-CD2 3.92Å; F506-L575 HydrophobicContact CD2-CB 3.75Å; F506-L575 HydrophobicContact CE1-CD2 4.26Å; F506-L575 HydrophobicContact CE2-CB 3.98Å; F506-L575 HydrophobicContact CG-CB 4.04Å; F506-L575 HydrophobicContact CG-CD1 4.32Å; F506-L575 HydrophobicContact CG-CD2 4.16Å; F506-L575 HydrophobicContact CG-CG 4.41Å; F506-L575 HydrophobicContact CZ-CB 4.44Å; I508-L575 HydrophobicContact CD1-CD1 3.7Å; I508-L575 HydrophobicContact CG1-CD1 4.01Å; L538-L575 HydrophobicContact CB-CB 4.2Å; L538-L575 HydrophobicContact CD1-CD2 4.21Å; L538-L575 PolarHBondContact O-N 3.33Å; L575-I587 HydrophobicContact CD2-CD1 4.04Å; L575-I587 HydrophobicContact CG-CD1 4.1Å; L575-I621 HydrophobicContact CD2-CD1 3.72Å; L575-V819 HydrophobicContact CD1-CG2 4.12Å; L575-V819 HydrophobicContact CD2-CG1 3.97Å; L575-V819 HydrophobicContact CD2-CG2 3.84Å; L575-C832 HydrophobicContact CD1-CB 4.16Å; L575-S833 WeakPolarHBondContact CA-O 3.48Å; L575-V834 HydrophobicContact CD1-CG2 3.71Å
576	V	96.4	Very high	92.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.7	175.5	-62.5	0	0	0	0	110.1	M537 F574 M578 A584 C832 S833 M835 L840 V855	M537-V576 HydrophobicContact CE-CG1 3.72Å; M537-V576 HydrophobicContact SD-CG1 4Å; F574-V576 HydrophobicContact CB-CG1 4.31Å; V576-M578 HydrophobicContact CG2-SD 4.08Å; V576-A584 HydrophobicContact CG2-CB 4.46Å; V576-C832 WeakPolarHBondContact O-CA 3.18Å; V576-S833 PolarHBondContact N-O 3.28Å; V576-S833 PolarHBondContact O-N 3.32Å; V576-M835 HydrophobicContact CG2-CG 4.02Å; V576-M835 HydrophobicContact CG2-SD 3.64Å; V576-L840 HydrophobicContact CG1-CD1 4.43Å; V576-V855 HydrophobicContact CG1-CG1 4.48Å
577	G	96.1	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	149.8	166.4	0	0	0	0	0	110	M585	G577-M585 WeakPolarHBondContact CA-O 3.21Å; G577-M585 PolarHBondContact N-O 3.34Å; G577-M585 PolarHBondContact O-N 2.96Å
578	M	94	Very high	92.9	Very high	16 Å²	16	32.3 Å²	32.3	8%	0.079	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.1	172.3	-59.6	-57.7	-59.8	0	0	109.3	V576 E583 A584 F830 D831 M835	V576-M578 HydrophobicContact CG2-SD 4.08Å; M578-E583 WeakPolarHBondContact CA-O 3.38Å; M578-A584 HydrophobicContact CE-CB 4.44Å; M578-A584 HydrophobicContact SD-CB 4.15Å; M578-F830 WeakPolarHBondContact O-CA 3.43Å; M578-D831 HydrophobicContact CB-CB 4.29Å; M578-D831 PolarHBondContact N-O 2.87Å; M578-D831 PolarHBondContact O-N 2.98Å; M578-M835 HydrophobicContact SD-SD 4.03Å
579	R	90.1	Very high	93	Very high	87 Å²	87	32.4 Å²	32.4	33%	0.328	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	88.4	176.5	-171.9	175.9	-174.9	165.6	0.5	109.3	E583 M585 H851	R579-E583 HydrophobicContact CB-CB 4.18Å; R579-E583 HydrophobicContact CB-CG 4.34Å; R579-E583 WeakPolarHBondContact CB-OE2 3.4Å; R579-E583 VanDerWaalsContact CD-OE2 3.23Å; R579-E583 WeakPolarHBondContact CD-OE2 3.22Å; R579-E583 WeakPolarHBondContact CG-OE2 3.41Å; R579-E583 PolarHBondContact N-O 3.42Å; R579-E583 VanDerWaalsContact O-CB 3.3Å; R579-E583 WeakPolarHBondContact O-CB 3.18Å; R579-M585 HydrophobicContact CB-SD 4.35Å; R579-H851 PolarHBondContact NH1-NE2 3.31Å
580	G	84.8	Confident	93.1	Very high	32 Å²	32	34.2 Å²	34.2	33%	0.33	16%	0.161	S	C	.	.	S	Bend	trans	71.4	-151.8	-161.9	0	0	0	0	0	110.7	K829	G580-K829 PolarHBondContact N-O 2.94Å
581	K	79.6	Confident	93.2	Very high	168 Å²	168	28.7 Å²	28.7	73%	0.73	14%	0.14	S	C	*	.	S	Bend	trans	-77.4	-39.2	-160.7	-169.5	-173.1	154.8	-67.3	0	114.8
582	D	82.6	Confident	93.3	Very high	77 Å²	77	28 Å²	28	41%	0.412	14%	0.136	S	C	.	.	S	Bend	trans	-136.2	7.2	-165.1	-58	-74.8	0	0	0	113.8	R844	D582-R844 PolarHBondContact O-NH1 3.23Å; D582-R844 PolarHBondContact O-NH2 3.34Å
583	E	90.9	Very high	93.2	Very high	43 Å²	43	30.2 Å²	30.2	20%	0.201	15%	0.151	C	C	.	.			trans	-100.3	102.7	-177.1	-162.1	-176.9	-148.9	0	0	108.9	M578 R579 K849 H851	M578-E583 WeakPolarHBondContact CA-O 3.38Å; R579-E583 HydrophobicContact CB-CB 4.18Å; R579-E583 HydrophobicContact CB-CG 4.34Å; R579-E583 WeakPolarHBondContact CB-OE2 3.4Å; R579-E583 VanDerWaalsContact CD-OE2 3.23Å; R579-E583 WeakPolarHBondContact CD-OE2 3.22Å; R579-E583 WeakPolarHBondContact CG-OE2 3.41Å; R579-E583 PolarHBondContact N-O 3.42Å; R579-E583 VanDerWaalsContact O-CB 3.3Å; R579-E583 WeakPolarHBondContact O-CB 3.18Å; E583-K849 HydrophobicContact CG-CG 4.34Å; E583-K849 WeakPolarHBondContact OE1-CD 3.27Å; E583-K849 WeakPolarHBondContact OE1-CE 3.44Å; E583-K849 VanDerWaalsContact OE1-CG 3.23Å; E583-K849 WeakPolarHBondContact OE1-CG 3.41Å; E583-H851 IonicContact OE1-NE2 3.69Å; E583-H851 PolarHBondContact OE1-NE2 2.73Å
584	A	94.2	Very high	93.1	Very high	5 Å²	5	30.5 Å²	30.5	4%	0.041	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143	-175.4	0	0	0	0	0	112.2	V576 M578 M835 H851	V576-A584 HydrophobicContact CG2-CB 4.46Å; M578-A584 HydrophobicContact CE-CB 4.44Å; M578-A584 HydrophobicContact SD-CB 4.15Å; A584-M835 HydrophobicContact CB-SD 4.23Å; A584-H851 CarbonylContact O-C 3.56Å
585	M	95.2	Very high	92.9	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.064	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.9	178.9	65.6	173.4	-61.3	0	0	113.9	G577 R579 F830 H851 V855	G577-M585 WeakPolarHBondContact CA-O 3.21Å; G577-M585 PolarHBondContact N-O 3.34Å; G577-M585 PolarHBondContact O-N 2.96Å; R579-M585 HydrophobicContact CB-SD 4.35Å; M585-F830 HydrophobicContact SD-CD2 4.4Å; M585-F830 HydrophobicContact SD-CE2 4.35Å; M585-H851 HydrophobicContact CB-CB 3.75Å; M585-V855 VanDerWaalsContact C-CG2 3.4Å
586	A	96.9	Very high	92.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.187	C	C	.	.			trans	-66.9	140.9	171.6	0	0	0	0	0	110.3	K535 M537 G588 L658 V855	K535-A586 HydrophobicContact CB-CB 3.87Å; K535-A586 HydrophobicContact CD-CB 4.23Å; M537-A586 HydrophobicContact CG-CB 4.46Å; M537-A586 HydrophobicContact SD-CB 3.94Å; A586-G588 PolarHBondContact O-N 2.81Å; A586-L658 HydrophobicContact CB-CD2 4.43Å; A586-V855 HydrophobicContact CB-CG2 4.14Å
587	I	97.4	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	114.8	-171.6	-63.1	161.5	0	0	0	108.7	K535 V536 L575 C615 L618 T619	K535-I587 CarbonylContact C-O 3.59Å; K535-I587 WeakPolarHBondContact CA-O 3.46Å; V536-I587 HydrophobicContact CG2-CB 4.1Å; V536-I587 HydrophobicContact CG2-CG2 4.32Å; V536-I587 VanDerWaalsContact CG2-O 3.25Å; V536-I587 WeakPolarHBondContact CG2-O 3.5Å; V536-I587 PolarHBondContact N-O 2.68Å; V536-I587 PolarHBondContact O-N 3.43Å; V536-I587 VanDerWaalsContact O-N 3.15Å; L575-I587 HydrophobicContact CD2-CD1 4.04Å; L575-I587 HydrophobicContact CG-CD1 4.1Å; I587-C615 HydrophobicContact CG2-CB 4.11Å; I587-L618 HydrophobicContact CG2-CB 4.36Å; I587-L618 HydrophobicContact CG2-CD1 4.12Å; I587-T619 HydrophobicContact CD1-CG2 4.15Å; I587-T619 HydrophobicContact CG2-CG2 3.84Å
588	G	95.8	Very high	92.3	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-162.5	-179.7	0	0	0	0	0	115.5	A534 A586	A534-G588 WeakPolarHBondContact O-CA 3.37Å; A586-G588 PolarHBondContact O-N 2.81Å
589	G	94.9	Very high	92	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	-174.4	-173.4	0	0	0	0	0	113.7	S533 A534	S533-G589 CarbonylContact C-O 3.56Å; S533-G589 VanDerWaalsContact CA-O 3.27Å; S533-G589 WeakPolarHBondContact CA-O 3.47Å; S533-G589 WeakPolarHBondContact CB-O 3.35Å; S533-G589 VanDerWaalsContact OG-C 3.22Å; S533-G589 PolarHBondContact OG-O 3.06Å; A534-G589 PolarHBondContact N-O 2.71Å; A534-G589 PolarHBondContact O-N 2.93Å; A534-G589 VanDerWaalsContact O-N 3.14Å
590	H	94.7	Very high	92	Very high	43 Å²	43	38.5 Å²	38.5	20%	0.199	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	154.2	-178.4	-50.8	103.8	0	0	0	111.7	V528 H530 R613 E654	V528-H590 HydrophobicContact CG1-CB 3.55Å; H530-H590 AromaticContact CE1-CE1 3.51Å; H530-H590 AromaticContact CE1-ND1 3.7Å; H530-H590 AromaticContact CE1-NE2 3.68Å; H530-H590 AromaticContact ND1-CD2 3.28Å; H530-H590 PolarHBondContact ND1-CD2 3.47Å; H530-H590 VanDerWaalsContact ND1-CD2 3.28Å; H530-H590 AromaticContact ND1-CE1 3.42Å; H530-H590 PolarHBondContact ND1-CE1 2.95Å; H530-H590 AromaticContact ND1-CG 3.66Å; H530-H590 AromaticContact ND1-ND1 3.74Å; H530-H590 AromaticContact ND1-NE2 3.09Å; H530-H590 PolarHBondContact ND1-NE2 3.17Å; H590-R613 PolarHBondContact O-NH2 2.83Å; H590-E654 IonicContact CD2-OE1 3.79Å; H590-E654 IonicContact NE2-OE1 2.62Å
591	W	95.8	Very high	92	Very high	18 Å²	18	44.3 Å²	44.3	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	143.4	176.8	165.7	53.1	0	0	0	112.9	N529 Y532 P593 G597 A598 P600 V606 T610	N529-W591 HydrophobicContact CB-CD2 4.48Å; N529-W591 HydrophobicContact CB-CE3 3.75Å; N529-W591 HydrophobicContact CB-CZ3 3.98Å; N529-W591 PolarHBondContact N-O 2.98Å; N529-W591 WeakPolarHBondContact ND2-CZ3 3.46Å; Y532-W591 HydrophobicContact CD2-CE3 4.35Å; Y532-W591 WeakPolarHBondContact O-CB 3.47Å; Y532-W591 PolarHBondContact O-N 3.26Å; W591-P593 HydrophobicContact CH2-CG 3.99Å; W591-P593 HydrophobicContact CZ2-CB 3.94Å; W591-P593 HydrophobicContact CZ2-CG 3.66Å; W591-G597 VanDerWaalsContact CZ2-O 3.31Å; W591-G597 WeakPolarHBondContact CZ2-O 3.49Å; W591-G597 PolarHBondContact NE1-O 3.43Å; W591-A598 VanDerWaalsContact CH2-O 3.25Å; W591-A598 WeakPolarHBondContact CH2-O 3.31Å; W591-A598 WeakPolarHBondContact CZ2-O 3.49Å; W591-P600 HydrophobicContact CD2-CG 3.94Å; W591-P600 HydrophobicContact CE3-CG 3.75Å; W591-P600 VanDerWaalsContact CH2-CD 3.5Å; W591-P600 HydrophobicContact CH2-CG 3.87Å; W591-P600 HydrophobicContact CZ2-CG 4.07Å; W591-P600 HydrophobicContact CZ3-CG 3.68Å; W591-V606 VanDerWaalsContact NE1-CG1 3.27Å; W591-T610 HydrophobicContact CB-CG2 4.22Å
592	S	94.7	Very high	92.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.			trans	-122.2	114.3	174.3	168.8	0	0	0	0	110.1	P525 D527 S594 L595 D596	P525-S592 VanDerWaalsContact CG-CB 3.48Å; P525-S592 WeakPolarHBondContact CG-OG 3.4Å; D527-S592 VanDerWaalsContact CG-OG 3.25Å; D527-S592 PolarHBondContact OD1-OG 3.1Å; D527-S592 PolarHBondContact OD2-OG 3.02Å; D527-S592 VanDerWaalsContact OD2-OG 3.08Å; S592-S594 VanDerWaalsContact C-N 3.25Å; S592-S594 PolarHBondContact O-N 3.29Å; S592-S594 PolarHBondContact OG-OG 2.91Å; S592-L595 PolarHBondContact O-N 3.29Å; S592-L595 PolarHBondContact OG-N 3.47Å; S592-D596 WeakPolarHBondContact CB-OD2 3.37Å; S592-D596 PolarHBondContact N-OD2 3.49Å; S592-D596 WeakPolarHBondContact O-CB 3.4Å; S592-D596 PolarHBondContact O-N 3.01Å
593	P	93.6	Very high	92.7	Very high	48 Å²	48	43.1 Å²	43.1	31%	0.312	24%	0.24	S	C	.	.	H	α-helix	trans	-55.9	-35.6	178.8	-26.3	33.3	0	0	0	114.4	D527 W591 G597	D527-P593 WeakPolarHBondContact OD2-CD 3.26Å; W591-P593 HydrophobicContact CH2-CG 3.99Å; W591-P593 HydrophobicContact CZ2-CB 3.94Å; W591-P593 HydrophobicContact CZ2-CG 3.66Å; P593-G597 CarbonylContact O-C 3.55Å; P593-G597 PolarHBondContact O-N 2.87Å
594	S	93.5	Very high	92.5	Very high	84 Å²	84	44.6 Å²	44.6	59%	0.587	25%	0.254	S	S	*	.	H	α-helix	trans	-81.1	-27.7	-177.3	63.8	0	0	0	0	114.8	D527 S592	D527-S594 PolarHBondContact OD1-OG 3.17Å; D527-S594 WeakPolarHBondContact OD2-CB 3.19Å; D527-S594 PolarHBondContact OD2-N 3.23Å; D527-S594 PolarHBondContact OD2-OG 2.87Å; S592-S594 VanDerWaalsContact C-N 3.25Å; S592-S594 PolarHBondContact O-N 3.29Å; S592-S594 PolarHBondContact OG-OG 2.91Å
595	L	92.8	Very high	92.4	Very high	92 Å²	92	46.2 Å²	46.2	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-99.8	-33.3	-179	-59.5	-173.7	0	0	0	113.4	V522 P525 S592	V522-L595 HydrophobicContact CB-CD1 4.3Å; P525-L595 HydrophobicContact CB-CD1 4.02Å; P525-L595 HydrophobicContact CG-CD1 3.95Å; S592-L595 PolarHBondContact O-N 3.29Å; S592-L595 PolarHBondContact OG-N 3.47Å
596	D	94.7	Very high	92.4	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-104.9	-22.6	-171.8	-50.6	-46.1	0	0	0	112.9	S592 V606 K609 T610 R613	S592-D596 WeakPolarHBondContact CB-OD2 3.37Å; S592-D596 PolarHBondContact N-OD2 3.49Å; S592-D596 WeakPolarHBondContact O-CB 3.4Å; S592-D596 PolarHBondContact O-N 3.01Å; D596-V606 HydrophobicContact CB-CG1 4.18Å; D596-K609 HydrophobicContact CB-CB 4.21Å; D596-K609 WeakPolarHBondContact O-CD 3.45Å; D596-T610 WeakPolarHBondContact CB-OG1 3.47Å; D596-T610 VanDerWaalsContact CG-OG1 3.29Å; D596-T610 WeakPolarHBondContact OD1-CA 3.24Å; D596-T610 PolarHBondContact OD1-N 2.88Å; D596-T610 PolarHBondContact OD2-OG1 3.38Å; D596-R613 IonicContact OD1-CZ 3.78Å; D596-R613 IonicContact OD1-NE 2.69Å; D596-R613 PolarHBondContact OD1-NE 3.44Å; D596-R613 IonicContact OD1-NH2 2.77Å; D596-R613 IonicContact OD2-CZ 2.88Å; D596-R613 IonicContact OD2-NE 2.55Å; D596-R613 PolarHBondContact OD2-NE 2.92Å; D596-R613 IonicContact OD2-NH2 2.84Å; D596-R613 PolarHBondContact OD2-NH2 2.81Å
597	G	92.9	Very high	92.4	Very high	26 Å²	26	45.6 Å²	45.6	27%	0.268	26%	0.261	S	S	.	.			trans	113.9	167	-176.3	0	0	0	0	0	113.3	W591 P593 V606	W591-G597 VanDerWaalsContact CZ2-O 3.31Å; W591-G597 WeakPolarHBondContact CZ2-O 3.49Å; W591-G597 PolarHBondContact NE1-O 3.43Å; P593-G597 CarbonylContact O-C 3.55Å; P593-G597 PolarHBondContact O-N 2.87Å; G597-V606 WeakPolarHBondContact O-CG1 3.33Å
598	A	89.1	Confident	92.4	Very high	67 Å²	67	47.3 Å²	47.3	55%	0.554	27%	0.27	S	S	*	.	S	Bend	trans	-89.3	-31.9	-159.4	0	0	0	0	0	117.4	W591 P600	W591-A598 VanDerWaalsContact CH2-O 3.25Å; W591-A598 WeakPolarHBondContact CH2-O 3.31Å; W591-A598 WeakPolarHBondContact CZ2-O 3.49Å; A598-P600 WeakPolarHBondContact O-CD 3.46Å
599	D	87.7	Confident	92.4	Very high	74 Å²	74	51.4 Å²	51.4	40%	0.396	29%	0.287	S	S	.	.			trans	-124.2	81	-168.8	-85.1	15.8	0	0	0	112.3	E601 K602 D603	D599-E601 VanDerWaalsContact C-N 3.25Å; D599-E601 PolarHBondContact O-N 2.83Å; D599-K602 HydrophobicContact CB-CB 4.33Å; D599-K602 HydrophobicContact CB-CD 4.45Å; D599-K602 PolarHBondContact O-N 3.16Å; D599-K602 WeakPolarHBondContact OD2-CD 3.29Å; D599-K602 WeakPolarHBondContact OD2-CE 3.13Å; D599-K602 IonicContact OD2-NZ 3.69Å; D599-K602 PolarHBondContact OD2-NZ 2.85Å; D599-D603 PolarHBondContact O-N 3.38Å
600	P	89.7	Confident	92.5	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.052	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.5	-176.5	28.3	-37.1	0	0	0	115.1	Y532 W591 A598 V606 L607	Y532-P600 HydrophobicContact CD2-CB 4.15Å; Y532-P600 HydrophobicContact CD2-CG 3.54Å; Y532-P600 HydrophobicContact CE2-CG 3.88Å; Y532-P600 HydrophobicContact CG-CB 4.32Å; Y532-P600 HydrophobicContact CG-CG 4.16Å; W591-P600 HydrophobicContact CD2-CG 3.94Å; W591-P600 HydrophobicContact CE3-CG 3.75Å; W591-P600 VanDerWaalsContact CH2-CD 3.5Å; W591-P600 HydrophobicContact CH2-CG 3.87Å; W591-P600 HydrophobicContact CZ2-CG 4.07Å; W591-P600 HydrophobicContact CZ3-CG 3.68Å; A598-P600 WeakPolarHBondContact O-CD 3.46Å; P600-V606 HydrophobicContact CB-CB 4.35Å; P600-V606 HydrophobicContact CB-CG1 3.99Å; P600-L607 HydrophobicContact CB-CD1 4.35Å; P600-L607 HydrophobicContact CB-CD2 3.7Å; P600-L607 HydrophobicContact CB-CG 3.84Å
601	E	85.9	Confident	92.6	Very high	153 Å²	153	49.2 Å²	49.2	72%	0.715	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-34	172.9	-73.1	-174.9	160.5	0	0	112.8	Y532 D599	Y532-E601 HydrophobicContact CE2-CG 4.19Å; Y532-E601 VanDerWaalsContact OH-CG 3.3Å; Y532-E601 WeakPolarHBondContact OH-CG 3.4Å; D599-E601 VanDerWaalsContact C-N 3.25Å; D599-E601 PolarHBondContact O-N 2.83Å
602	K	85.8	Confident	92.7	Very high	158 Å²	158	49.8 Å²	49.8	69%	0.687	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-37.9	-172.6	-57.8	177.1	-161.7	144.8	0	112.3	D599 P604	D599-K602 HydrophobicContact CB-CB 4.33Å; D599-K602 HydrophobicContact CB-CD 4.45Å; D599-K602 PolarHBondContact O-N 3.16Å; D599-K602 WeakPolarHBondContact OD2-CD 3.29Å; D599-K602 WeakPolarHBondContact OD2-CE 3.13Å; D599-K602 IonicContact OD2-NZ 3.69Å; D599-K602 PolarHBondContact OD2-NZ 2.85Å; K602-P604 WeakPolarHBondContact O-CD 3.13Å
603	D	89.7	Confident	92.7	Very high	62 Å²	62	50.9 Å²	50.9	33%	0.332	29%	0.285	S	S	.	.			trans	-108.2	100.1	176.9	177.3	11.2	0	0	0	110.1	D599 S605 V606 K609	D599-D603 PolarHBondContact O-N 3.38Å; D603-S605 PolarHBondContact O-N 2.91Å; D603-S605 VanDerWaalsContact O-N 3.12Å; D603-S605 WeakPolarHBondContact OD1-CA 3.42Å; D603-S605 WeakPolarHBondContact OD1-CB 3.25Å; D603-S605 PolarHBondContact OD1-N 2.54Å; D603-S605 PolarHBondContact OD1-OG 2.87Å; D603-S605 PolarHBondContact OD2-OG 2.8Å; D603-V606 HydrophobicContact CB-CG2 3.94Å; D603-V606 WeakPolarHBondContact O-CB 3.44Å; D603-V606 PolarHBondContact O-N 3.22Å; D603-V606 VanDerWaalsContact O-N 3.1Å; D603-K609 IonicContact OD2-NZ 3.29Å
604	P	87	Confident	92.9	Very high	75 Å²	75	48.6 Å²	48.6	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-16.8	177.5	27.4	-34.7	0	0	0	112.9	K602 V606 L607 I608	K602-P604 WeakPolarHBondContact O-CD 3.13Å; P604-V606 PolarHBondContact O-N 3.47Å; P604-L607 PolarHBondContact O-N 2.94Å; P604-I608 PolarHBondContact O-N 3.26Å
605	S	92.7	Very high	93	Very high	38 Å²	38	44.6 Å²	44.6	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-68.5	-21.6	175.5	84.8	0	0	0	0	112.8	D603 I608 K609	D603-S605 PolarHBondContact O-N 2.91Å; D603-S605 VanDerWaalsContact O-N 3.12Å; D603-S605 WeakPolarHBondContact OD1-CA 3.42Å; D603-S605 WeakPolarHBondContact OD1-CB 3.25Å; D603-S605 PolarHBondContact OD1-N 2.54Å; D603-S605 PolarHBondContact OD1-OG 2.87Å; D603-S605 PolarHBondContact OD2-OG 2.8Å; S605-I608 PolarHBondContact O-N 3.3Å; S605-K609 WeakPolarHBondContact O-CB 3.35Å; S605-K609 VanDerWaalsContact O-CD 3.3Å; S605-K609 WeakPolarHBondContact O-CD 3.33Å; S605-K609 WeakPolarHBondContact O-CG 3.42Å; S605-K609 PolarHBondContact O-N 2.97Å; S605-K609 PolarHBondContact OG-NZ 3.34Å
606	V	95.9	Very high	93.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-44.7	173.4	175.5	0	0	0	0	111	W591 D596 G597 P600 D603 P604 K609 T610	W591-V606 VanDerWaalsContact NE1-CG1 3.27Å; D596-V606 HydrophobicContact CB-CG1 4.18Å; G597-V606 WeakPolarHBondContact O-CG1 3.33Å; P600-V606 HydrophobicContact CB-CB 4.35Å; P600-V606 HydrophobicContact CB-CG1 3.99Å; D603-V606 HydrophobicContact CB-CG2 3.94Å; D603-V606 WeakPolarHBondContact O-CB 3.44Å; D603-V606 PolarHBondContact O-N 3.22Å; D603-V606 VanDerWaalsContact O-N 3.1Å; P604-V606 PolarHBondContact O-N 3.47Å; V606-K609 PolarHBondContact O-N 3.17Å; V606-T610 WeakPolarHBondContact O-CB 3.41Å; V606-T610 PolarHBondContact O-N 3.48Å; V606-T610 PolarHBondContact O-OG1 3.43Å
607	L	96.3	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-30.2	177.9	-63.2	179.4	0	0	0	112	Y532 A534 P600 P604 T610 A611 V657 F659	Y532-L607 HydrophobicContact CD1-CD1 4.14Å; Y532-L607 HydrophobicContact CD1-CD2 4.21Å; Y532-L607 HydrophobicContact CG-CD2 4.19Å; A534-L607 HydrophobicContact CB-CB 4.32Å; A534-L607 WeakPolarHBondContact CB-O 3.16Å; P600-L607 HydrophobicContact CB-CD1 4.35Å; P600-L607 HydrophobicContact CB-CD2 3.7Å; P600-L607 HydrophobicContact CB-CG 3.84Å; P604-L607 PolarHBondContact O-N 2.94Å; L607-T610 WeakPolarHBondContact O-CB 3.48Å; L607-T610 PolarHBondContact O-N 3.41Å; L607-A611 WeakPolarHBondContact O-CB 3.42Å; L607-A611 PolarHBondContact O-N 3.02Å; L607-V657 HydrophobicContact CD1-CB 4.41Å; L607-V657 HydrophobicContact CD1-CG2 3.89Å; L607-F659 HydrophobicContact CB-CE2 3.92Å; L607-F659 HydrophobicContact CB-CZ 3.88Å
608	I	96.6	Very high	93.3	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.185	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-46.2	170.8	-67.3	167.9	0	0	0	110.8	P604 S605 T610 A611 I612 W629 F659	P604-I608 PolarHBondContact O-N 3.26Å; S605-I608 PolarHBondContact O-N 3.3Å; I608-T610 VanDerWaalsContact C-N 3.32Å; I608-T610 PolarHBondContact O-N 2.87Å; I608-A611 WeakPolarHBondContact O-CB 3.38Å; I608-A611 PolarHBondContact O-N 2.8Å; I608-A611 VanDerWaalsContact O-N 3.13Å; I608-I612 HydrophobicContact CG2-CD1 3.81Å; I608-I612 HydrophobicContact CG2-CG1 4.42Å; I608-I612 VanDerWaalsContact O-CG1 3.31Å; I608-I612 WeakPolarHBondContact O-CG1 3.42Å; I608-I612 PolarHBondContact O-N 2.92Å; I608-W629 HydrophobicContact CB-CD2 4.35Å; I608-W629 HydrophobicContact CB-CE3 4.36Å; I608-W629 HydrophobicContact CD1-CB 3.63Å; I608-W629 HydrophobicContact CD1-CD2 4.31Å; I608-W629 HydrophobicContact CD1-CG 3.84Å; I608-W629 HydrophobicContact CG1-CB 4.07Å; I608-W629 HydrophobicContact CG1-CD2 3.98Å; I608-W629 HydrophobicContact CG1-CE3 3.95Å; I608-W629 HydrophobicContact CG1-CG 4.03Å; I608-W629 HydrophobicContact CG2-CD2 3.59Å; I608-W629 HydrophobicContact CG2-CE3 3.93Å; I608-W629 HydrophobicContact CG2-CG 4.03Å; I608-W629 HydrophobicContact CG2-CH2 4.19Å; I608-W629 HydrophobicContact CG2-CZ2 3.87Å; I608-W629 HydrophobicContact CG2-CZ3 4.22Å; I608-F659 HydrophobicContact CG1-CE1 4.01Å; I608-F659 HydrophobicContact CG1-CZ 4.22Å
609	K	96.3	Very high	93.6	Very high	88 Å²	88	39.6 Å²	39.6	38%	0.383	19%	0.194	S	C	.	.	H	α-helix	trans	-59.1	-43.1	173.7	-68.8	155	-172.4	154.3	0	111.5	D596 D603 S605 V606 A611 I612 R613	D596-K609 HydrophobicContact CB-CB 4.21Å; D596-K609 WeakPolarHBondContact O-CD 3.45Å; D603-K609 IonicContact OD2-NZ 3.29Å; S605-K609 WeakPolarHBondContact O-CB 3.35Å; S605-K609 VanDerWaalsContact O-CD 3.3Å; S605-K609 WeakPolarHBondContact O-CD 3.33Å; S605-K609 WeakPolarHBondContact O-CG 3.42Å; S605-K609 PolarHBondContact O-N 2.97Å; S605-K609 PolarHBondContact OG-NZ 3.34Å; V606-K609 PolarHBondContact O-N 3.17Å; K609-A611 VanDerWaalsContact C-N 3.33Å; K609-A611 PolarHBondContact O-N 2.77Å; K609-I612 PolarHBondContact O-N 3.35Å; K609-R613 WeakPolarHBondContact O-CB 3.19Å; K609-R613 PolarHBondContact O-N 3.49Å
610	T	97	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.4	-47.3	173.1	-54	0	0	0	0	111.2	A534 W591 D596 V606 L607 I608 C614	A534-T610 HydrophobicContact CB-CG2 3.79Å; W591-T610 HydrophobicContact CB-CG2 4.22Å; D596-T610 WeakPolarHBondContact CB-OG1 3.47Å; D596-T610 VanDerWaalsContact CG-OG1 3.29Å; D596-T610 WeakPolarHBondContact OD1-CA 3.24Å; D596-T610 PolarHBondContact OD1-N 2.88Å; D596-T610 PolarHBondContact OD2-OG1 3.38Å; V606-T610 WeakPolarHBondContact O-CB 3.41Å; V606-T610 PolarHBondContact O-N 3.48Å; V606-T610 PolarHBondContact O-OG1 3.43Å; L607-T610 WeakPolarHBondContact O-CB 3.48Å; L607-T610 PolarHBondContact O-N 3.41Å; I608-T610 VanDerWaalsContact C-N 3.32Å; I608-T610 PolarHBondContact O-N 2.87Å; T610-C614 WeakPolarHBondContact O-CB 3.44Å; T610-C614 PolarHBondContact O-N 3.38Å; T610-C614 PolarHBondContact O-SG 2.85Å
611	A	97.3	Very high	94	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-44.6	178.4	0	0	0	0	0	112.5	A534 V536 L607 I608 K609 C614 C615 W629	A534-A611 HydrophobicContact CB-CB 4.05Å; V536-A611 HydrophobicContact CG1-CB 3.97Å; L607-A611 WeakPolarHBondContact O-CB 3.42Å; L607-A611 PolarHBondContact O-N 3.02Å; I608-A611 WeakPolarHBondContact O-CB 3.38Å; I608-A611 PolarHBondContact O-N 2.8Å; I608-A611 VanDerWaalsContact O-N 3.13Å; K609-A611 VanDerWaalsContact C-N 3.33Å; K609-A611 PolarHBondContact O-N 2.77Å; A611-C614 PolarHBondContact O-N 2.97Å; A611-C615 WeakPolarHBondContact O-CB 3.48Å; A611-C615 PolarHBondContact O-N 3.34Å; A611-W629 HydrophobicContact CB-CH2 4.21Å; A611-W629 HydrophobicContact CB-CZ3 3.8Å
612	I	96.8	Very high	94.4	Very high	30 Å²	30	32.4 Å²	32.4	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-58.2	-51.8	175.3	-65.4	161.9	0	0	0	110	I608 K609 C614 C615 R616 L623 W629	I608-I612 HydrophobicContact CG2-CD1 3.81Å; I608-I612 HydrophobicContact CG2-CG1 4.42Å; I608-I612 VanDerWaalsContact O-CG1 3.31Å; I608-I612 WeakPolarHBondContact O-CG1 3.42Å; I608-I612 PolarHBondContact O-N 2.92Å; K609-I612 PolarHBondContact O-N 3.35Å; I612-C614 PolarHBondContact O-N 2.92Å; I612-C615 PolarHBondContact O-N 3.39Å; I612-R616 WeakPolarHBondContact O-CB 3.47Å; I612-R616 PolarHBondContact O-N 3.4Å; I612-L623 HydrophobicContact CG1-CB 4Å; I612-W629 HydrophobicContact CD1-CH2 4.49Å; I612-W629 HydrophobicContact CD1-CZ2 4.03Å; I612-W629 HydrophobicContact CG1-CH2 3.72Å; I612-W629 HydrophobicContact CG1-CZ2 3.65Å
613	R	96.3	Very high	94.8	Very high	23 Å²	23	24.9 Å²	24.9	9%	0.087	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-50	179.2	179.1	178.9	59.1	74.3	1.9	111.8	V522 L523 H590 D596 K609 A617	V522-R613 PolarHBondContact O-NH1 3.46Å; L523-R613 PolarHBondContact O-NH1 3Å; H590-R613 PolarHBondContact O-NH2 2.83Å; D596-R613 IonicContact OD1-CZ 3.78Å; D596-R613 IonicContact OD1-NE 2.69Å; D596-R613 PolarHBondContact OD1-NE 3.44Å; D596-R613 IonicContact OD1-NH2 2.77Å; D596-R613 IonicContact OD2-CZ 2.88Å; D596-R613 IonicContact OD2-NE 2.55Å; D596-R613 PolarHBondContact OD2-NE 2.92Å; D596-R613 IonicContact OD2-NH2 2.84Å; D596-R613 PolarHBondContact OD2-NH2 2.81Å; K609-R613 WeakPolarHBondContact O-CB 3.19Å; K609-R613 PolarHBondContact O-N 3.49Å; R613-A617 VanDerWaalsContact O-CB 3.23Å; R613-A617 WeakPolarHBondContact O-CB 3.41Å; R613-A617 PolarHBondContact O-N 2.76Å
614	C	96.5	Very high	95	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.6	-39.7	-177.1	-64.2	0	0	0	0	112.4	L523 T610 A611 I612 A617 L618	L523-C614 HydrophobicContact CD1-CB 4.3Å; T610-C614 WeakPolarHBondContact O-CB 3.44Å; T610-C614 PolarHBondContact O-N 3.38Å; T610-C614 PolarHBondContact O-SG 2.85Å; A611-C614 PolarHBondContact O-N 2.97Å; I612-C614 PolarHBondContact O-N 2.92Å; C614-A617 PolarHBondContact O-N 2.66Å; C614-L618 WeakPolarHBondContact O-CB 3.43Å; C614-L618 VanDerWaalsContact O-CG 3.3Å; C614-L618 WeakPolarHBondContact O-CG 3.37Å; C614-L618 PolarHBondContact O-N 2.79Å
615	C	96.9	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-49.3	175.7	-172.1	0	0	0	0	110.8	V536 I587 A611 I612 A617 L618 T619 L623	V536-C615 HydrophobicContact CG2-CB 4.13Å; I587-C615 HydrophobicContact CG2-CB 4.11Å; A611-C615 WeakPolarHBondContact O-CB 3.48Å; A611-C615 PolarHBondContact O-N 3.34Å; I612-C615 PolarHBondContact O-N 3.39Å; C615-A617 VanDerWaalsContact C-N 3.35Å; C615-A617 PolarHBondContact O-N 3.24Å; C615-L618 PolarHBondContact O-N 3.12Å; C615-L618 VanDerWaalsContact O-N 3.11Å; C615-T619 PolarHBondContact O-N 3.3Å; C615-T619 PolarHBondContact O-OG1 3.34Å; C615-L623 HydrophobicContact CB-CD1 3.76Å; C615-L623 HydrophobicContact CB-CG 4.41Å
616	R	95.5	Very high	95.2	Very high	85 Å²	85	25.7 Å²	25.7	32%	0.321	14%	0.137	S	C	.	.	H	α-helix	trans	-59.8	-43.1	177	-165.9	-178.7	179.8	155	14.1	111.8	N519 S521 I612 L618 G620 I621 D622	N519-R616 PolarHBondContact ND2-O 3.36Å; S521-R616 WeakPolarHBondContact OG-CD 3.42Å; S521-R616 VanDerWaalsContact OG-CG 3.26Å; S521-R616 WeakPolarHBondContact OG-CG 3.18Å; I612-R616 WeakPolarHBondContact O-CB 3.47Å; I612-R616 PolarHBondContact O-N 3.4Å; R616-L618 VanDerWaalsContact C-N 3.28Å; R616-L618 PolarHBondContact O-N 2.69Å; R616-G620 WeakPolarHBondContact O-CA 3.49Å; R616-G620 PolarHBondContact O-N 3.1Å; R616-I621 WeakPolarHBondContact CA-O 3.34Å; R616-I621 WeakPolarHBondContact CB-O 3.35Å; R616-I621 PolarHBondContact N-O 3.19Å; R616-D622 IonicContact CZ-OD2 3.1Å; R616-D622 IonicContact NE-OD2 3.28Å; R616-D622 VanDerWaalsContact NH1-CG 3.34Å; R616-D622 IonicContact NH1-OD1 3.7Å; R616-D622 IonicContact NH1-OD2 3.89Å; R616-D622 PolarHBondContact NH1-OD2 2.94Å; R616-D622 IonicContact NH2-OD2 2.76Å; R616-D622 PolarHBondContact NH2-OD2 2.86Å
617	A	95.1	Very high	94.9	Very high	1 Å²	1	30 Å²	30	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-26.4	176.7	0	0	0	0	0	114.3	L523 R613 C614 C615 N822	L523-A617 HydrophobicContact CB-CB 3.96Å; L523-A617 HydrophobicContact CD1-CB 4.23Å; R613-A617 VanDerWaalsContact O-CB 3.23Å; R613-A617 WeakPolarHBondContact O-CB 3.41Å; R613-A617 PolarHBondContact O-N 2.76Å; C614-A617 PolarHBondContact O-N 2.66Å; C615-A617 VanDerWaalsContact C-N 3.35Å; C615-A617 PolarHBondContact O-N 3.24Å; A617-N822 WeakPolarHBondContact O-CB 3.49Å; A617-N822 PolarHBondContact O-ND2 3.36Å
618	L	95.1	Very high	94.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-93.6	-33.9	179.6	-73.5	172.7	0	0	0	114.1	L523 I587 C614 C615 R616 N822 A825 F830	L523-L618 HydrophobicContact CD1-CD1 4.28Å; L523-L618 HydrophobicContact CD1-CD2 4.16Å; L523-L618 HydrophobicContact CD1-CG 3.91Å; L523-L618 HydrophobicContact CD2-CD2 3.74Å; L523-L618 HydrophobicContact CD2-CG 4.41Å; I587-L618 HydrophobicContact CG2-CB 4.36Å; I587-L618 HydrophobicContact CG2-CD1 4.12Å; C614-L618 WeakPolarHBondContact O-CB 3.43Å; C614-L618 VanDerWaalsContact O-CG 3.3Å; C614-L618 WeakPolarHBondContact O-CG 3.37Å; C614-L618 PolarHBondContact O-N 2.79Å; C615-L618 PolarHBondContact O-N 3.12Å; C615-L618 VanDerWaalsContact O-N 3.11Å; R616-L618 VanDerWaalsContact C-N 3.28Å; R616-L618 PolarHBondContact O-N 2.69Å; L618-N822 WeakPolarHBondContact O-CB 3.3Å; L618-N822 PolarHBondContact O-N 3.43Å; L618-A825 HydrophobicContact CD2-CB 3.77Å; L618-F830 HydrophobicContact CB-CE1 3.93Å; L618-F830 HydrophobicContact CB-CE2 4.48Å; L618-F830 HydrophobicContact CB-CZ 3.84Å; L618-F830 HydrophobicContact CD1-CE2 4.3Å; L618-F830 HydrophobicContact CD1-CZ 4.38Å; L618-F830 HydrophobicContact CD2-CD1 4.23Å; L618-F830 HydrophobicContact CD2-CD2 4.03Å; L618-F830 HydrophobicContact CD2-CE1 4.25Å; L618-F830 HydrophobicContact CD2-CE2 4.03Å; L618-F830 HydrophobicContact CD2-CG 4.13Å; L618-F830 HydrophobicContact CD2-CZ 4.15Å; L618-F830 HydrophobicContact CG-CZ 4.35Å; L618-F830 WeakPolarHBondContact O-CE1 3.37Å
619	T	94.9	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-128.3	-8.3	-165	66.8	0	0	0	0	114.7	I587 C615 I621 V819 Y820 F830	I587-T619 HydrophobicContact CD1-CG2 4.15Å; I587-T619 HydrophobicContact CG2-CG2 3.84Å; C615-T619 PolarHBondContact O-N 3.3Å; C615-T619 PolarHBondContact O-OG1 3.34Å; T619-I621 PolarHBondContact O-N 3.08Å; T619-I621 WeakPolarHBondContact OG1-CG1 3.41Å; T619-I621 PolarHBondContact OG1-N 2.91Å; T619-V819 HydrophobicContact CG2-CG1 4.46Å; T619-Y820 CarbonylContact C-O 3.52Å; T619-Y820 WeakPolarHBondContact CA-O 3.08Å; T619-Y820 CarbonylContact O-C 3.59Å; T619-Y820 PolarHBondContact O-N 3.28Å; T619-F830 HydrophobicContact CG2-CZ 4.46Å
620	G	92.9	Very high	94.3	Very high	30 Å²	30	33 Å²	33	31%	0.309	17%	0.174	S	C	.	.	S	Bend	trans	75.8	-12.9	-171.6	0	0	0	0	0	115.1	R616 D622	R616-G620 WeakPolarHBondContact O-CA 3.49Å; R616-G620 PolarHBondContact O-N 3.1Å; G620-D622 PolarHBondContact O-N 2.82Å
621	I	94	Very high	94.2	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.036	19%	0.186	C	C	.	.			trans	-70.7	127.3	-178.9	-53.5	170	0	0	0	109.9	F506 L538 L575 R616 T619 L623 I817 V819	F506-I621 HydrophobicContact CD1-CD1 4.11Å; F506-I621 HydrophobicContact CE1-CD1 3.97Å; L538-I621 HydrophobicContact CD1-CD1 3.88Å; L575-I621 HydrophobicContact CD2-CD1 3.72Å; R616-I621 WeakPolarHBondContact CA-O 3.34Å; R616-I621 WeakPolarHBondContact CB-O 3.35Å; R616-I621 PolarHBondContact N-O 3.19Å; T619-I621 PolarHBondContact O-N 3.08Å; T619-I621 WeakPolarHBondContact OG1-CG1 3.41Å; T619-I621 PolarHBondContact OG1-N 2.91Å; I621-L623 HydrophobicContact CG2-CD2 3.78Å; I621-L623 HydrophobicContact CG2-CG 4.29Å; I621-I817 HydrophobicContact CD1-CG2 4.22Å; I621-I817 HydrophobicContact CG1-CG2 4.13Å; I621-I817 HydrophobicContact CG2-CG2 4.2Å; I621-V819 HydrophobicContact CD1-CG1 4.39Å; I621-V819 HydrophobicContact CD1-CG2 4.18Å
622	D	93.4	Very high	94.2	Very high	46 Å²	46	36.1 Å²	36.1	25%	0.246	19%	0.186	C	C	.	.			trans	-96.3	100.3	174.1	-167.2	-12.3	0	0	0	110.6	R616 G620 S624	R616-D622 IonicContact CZ-OD2 3.1Å; R616-D622 IonicContact NE-OD2 3.28Å; R616-D622 VanDerWaalsContact NH1-CG 3.34Å; R616-D622 IonicContact NH1-OD1 3.7Å; R616-D622 IonicContact NH1-OD2 3.89Å; R616-D622 PolarHBondContact NH1-OD2 2.94Å; R616-D622 IonicContact NH2-OD2 2.76Å; R616-D622 PolarHBondContact NH2-OD2 2.86Å; G620-D622 PolarHBondContact O-N 2.82Å; D622-S624 PolarHBondContact O-N 3.01Å; D622-S624 VanDerWaalsContact OD1-CB 3.26Å; D622-S624 WeakPolarHBondContact OD1-CB 3.46Å; D622-S624 PolarHBondContact OD1-N 3.16Å; D622-S624 VanDerWaalsContact OD1-N 3.1Å; D622-S624 PolarHBondContact OD1-OG 3.13Å; D622-S624 PolarHBondContact OD2-OG 3.21Å
623	L	95.4	Very high	94.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-78.6	6.7	-179.9	-61.3	177.1	0	0	0	113.8	V536 L538 I612 C615 I621 L625 C626 W629 P661 V663	V536-L623 HydrophobicContact CG1-CD1 4.3Å; V536-L623 HydrophobicContact CG2-CD1 4.09Å; L538-L623 HydrophobicContact CD1-CD2 4.4Å; L538-L623 HydrophobicContact CD2-CD1 4.05Å; L538-L623 HydrophobicContact CD2-CD2 4.27Å; I612-L623 HydrophobicContact CG1-CB 4Å; C615-L623 HydrophobicContact CB-CD1 3.76Å; C615-L623 HydrophobicContact CB-CG 4.41Å; I621-L623 HydrophobicContact CG2-CD2 3.78Å; I621-L623 HydrophobicContact CG2-CG 4.29Å; L623-L625 PolarHBondContact O-N 2.88Å; L623-C626 WeakPolarHBondContact O-CB 3.23Å; L623-C626 PolarHBondContact O-N 2.83Å; L623-C626 VanDerWaalsContact O-N 3.09Å; L623-W629 HydrophobicContact CB-CH2 3.86Å; L623-W629 HydrophobicContact CB-CZ2 3.8Å; L623-W629 HydrophobicContact CD1-CH2 3.86Å; L623-P661 HydrophobicContact CD1-CG 4.4Å; L623-V663 HydrophobicContact CD2-CG1 4.12Å
624	S	93.4	Very high	94.2	Very high	72 Å²	72	34.5 Å²	34.5	50%	0.503	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-65.3	-14.5	178.5	57.5	0	0	0	0	114.6	D622	D622-S624 PolarHBondContact O-N 3.01Å; D622-S624 VanDerWaalsContact OD1-CB 3.26Å; D622-S624 WeakPolarHBondContact OD1-CB 3.46Å; D622-S624 PolarHBondContact OD1-N 3.16Å; D622-S624 VanDerWaalsContact OD1-N 3.1Å; D622-S624 PolarHBondContact OD1-OG 3.13Å; D622-S624 PolarHBondContact OD2-OG 3.21Å
625	L	90.6	Very high	94.2	Very high	109 Å²	109	34.5 Å²	34.5	57%	0.571	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-83.6	-10.9	173.7	-58.6	178.3	0	0	0	113.7	L623 T627 H665	L623-L625 PolarHBondContact O-N 2.88Å; L625-T627 PolarHBondContact O-N 3.44Å; L625-H665 VanDerWaalsContact O-CB 3.32Å; L625-H665 WeakPolarHBondContact O-CB 3.28Å
626	C	92.8	Very high	94.2	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.074	19%	0.194	C	C	.	.			trans	-70.2	121.6	178.7	-74.7	0	0	0	0	111.5	L623 W629 P661 D662 C666	L623-C626 WeakPolarHBondContact O-CB 3.23Å; L623-C626 PolarHBondContact O-N 2.83Å; L623-C626 VanDerWaalsContact O-N 3.09Å; C626-W629 HydrophobicContact CB-CZ2 3.96Å; C626-W629 PolarHBondContact O-NE1 2.84Å; C626-P661 HydrophobicContact CB-CB 4.23Å; C626-D662 WeakPolarHBondContact CA-OD1 3.39Å; C626-D662 WeakPolarHBondContact CB-OD1 3.37Å; C626-D662 PolarHBondContact SG-O 2.88Å; C626-D662 VanDerWaalsContact SG-O 3.41Å; C626-C666 VanDerWaalsContact SG-SG 3.69Å
627	T	89.1	Confident	94.2	Very high	91 Å²	91	34.4 Å²	34.4	56%	0.558	18%	0.179	S	C	*	.			trans	-91	-18.2	-175.1	72.4	0	0	0	0	114	L625 D662 H665	L625-T627 PolarHBondContact O-N 3.44Å; T627-D662 WeakPolarHBondContact CA-OD2 3.36Å; T627-D662 WeakPolarHBondContact CB-OD2 3.28Å; T627-D662 VanDerWaalsContact N-CG 3.29Å; T627-D662 PolarHBondContact N-OD1 2.85Å; T627-D662 PolarHBondContact N-OD2 3.45Å; T627-D662 PolarHBondContact OG1-OD2 3.44Å; T627-H665 PolarHBondContact OG1-CE1 3.13Å; T627-H665 VanDerWaalsContact OG1-CE1 3.27Å
628	Q	90.4	Very high	94.2	Very high	78 Å²	78	39.9 Å²	39.9	36%	0.364	20%	0.204	S	C	.	.			trans	-133.6	112.5	-174	-62.1	175.9	19	0	0	110.1	Y630 D662	Q628-Y630 HydrophobicContact CB-CE2 3.79Å; Q628-Y630 PolarHBondContact OE1-OH 3.01Å; Q628-D662 HydrophobicContact CB-CB 4.04Å; Q628-D662 PolarHBondContact N-OD1 3.2Å; Q628-D662 PolarHBondContact N-OD2 3.09Å; Q628-D662 VanDerWaalsContact N-OD2 3.14Å; Q628-D662 PolarHBondContact O-N 3.41Å; Q628-D662 VanDerWaalsContact O-N 3.12Å; Q628-D662 VanDerWaalsContact O-OD1 3.06Å
629	W	93.7	Very high	94.1	Very high	46 Å²	46	41.4 Å²	41.4	17%	0.174	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	99.3	-177.9	-74.9	77.4	0	0	0	110.5	V536 I608 A611 I612 L623 C626 R631 F659 P661	V536-W629 HydrophobicContact CG1-CH2 4.39Å; V536-W629 HydrophobicContact CG1-CZ3 3.77Å; I608-W629 HydrophobicContact CB-CD2 4.35Å; I608-W629 HydrophobicContact CB-CE3 4.36Å; I608-W629 HydrophobicContact CD1-CB 3.63Å; I608-W629 HydrophobicContact CD1-CD2 4.31Å; I608-W629 HydrophobicContact CD1-CG 3.84Å; I608-W629 HydrophobicContact CG1-CB 4.07Å; I608-W629 HydrophobicContact CG1-CD2 3.98Å; I608-W629 HydrophobicContact CG1-CE3 3.95Å; I608-W629 HydrophobicContact CG1-CG 4.03Å; I608-W629 HydrophobicContact CG2-CD2 3.59Å; I608-W629 HydrophobicContact CG2-CE3 3.93Å; I608-W629 HydrophobicContact CG2-CG 4.03Å; I608-W629 HydrophobicContact CG2-CH2 4.19Å; I608-W629 HydrophobicContact CG2-CZ2 3.87Å; I608-W629 HydrophobicContact CG2-CZ3 4.22Å; A611-W629 HydrophobicContact CB-CH2 4.21Å; A611-W629 HydrophobicContact CB-CZ3 3.8Å; I612-W629 HydrophobicContact CD1-CH2 4.49Å; I612-W629 HydrophobicContact CD1-CZ2 4.03Å; I612-W629 HydrophobicContact CG1-CH2 3.72Å; I612-W629 HydrophobicContact CG1-CZ2 3.65Å; L623-W629 HydrophobicContact CB-CH2 3.86Å; L623-W629 HydrophobicContact CB-CZ2 3.8Å; L623-W629 HydrophobicContact CD1-CH2 3.86Å; C626-W629 HydrophobicContact CB-CZ2 3.96Å; C626-W629 PolarHBondContact O-NE1 2.84Å; W629-R631 PolarHBondContact O-N 3.18Å; W629-F659 HydrophobicContact CE3-CB 4.09Å; W629-F659 HydrophobicContact CE3-CD1 4.15Å; W629-F659 HydrophobicContact CE3-CG 4.18Å; W629-F659 HydrophobicContact CZ3-CB 4.32Å; W629-P661 HydrophobicContact CD2-CB 4.02Å; W629-P661 HydrophobicContact CE3-CB 4Å; W629-P661 HydrophobicContact CH2-CB 4.18Å; W629-P661 HydrophobicContact CZ2-CB 4.19Å; W629-P661 HydrophobicContact CZ3-CB 4.08Å; W629-P661 HydrophobicContact CZ3-CG 4.41Å
630	Y	93.9	Very high	94	Very high	63 Å²	63	44.6 Å²	44.6	25%	0.247	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	108.1	178.4	-60	-82.9	0	0	0	109.7	A491 F492 Q628 F632 F659 L660	A491-Y630 HydrophobicContact CB-CD1 4.18Å; F492-Y630 HydrophobicContact CD1-CD1 4.47Å; F492-Y630 HydrophobicContact CD1-CE1 4.31Å; F492-Y630 AromaticContact CE1-CD1 3.6Å; F492-Y630 HydrophobicContact CE1-CD1 3.6Å; F492-Y630 HydrophobicContact CE1-CD2 4.26Å; F492-Y630 AromaticContact CE1-CE1 3.52Å; F492-Y630 HydrophobicContact CE1-CE1 3.52Å; F492-Y630 HydrophobicContact CE1-CE2 4.21Å; F492-Y630 AromaticContact CE1-CG 3.98Å; F492-Y630 HydrophobicContact CE1-CG 3.98Å; F492-Y630 AromaticContact CE1-CZ 3.86Å; F492-Y630 HydrophobicContact CE2-CD1 4.11Å; F492-Y630 HydrophobicContact CE2-CG 4.14Å; F492-Y630 AromaticContact CZ-CD1 3.39Å; F492-Y630 HydrophobicContact CZ-CD1 3.39Å; F492-Y630 AromaticContact CZ-CD2 3.82Å; F492-Y630 HydrophobicContact CZ-CD2 3.82Å; F492-Y630 AromaticContact CZ-CE1 3.83Å; F492-Y630 HydrophobicContact CZ-CE1 3.83Å; F492-Y630 HydrophobicContact CZ-CE2 4.24Å; F492-Y630 AromaticContact CZ-CG 3.38Å; F492-Y630 HydrophobicContact CZ-CG 3.38Å; Q628-Y630 HydrophobicContact CB-CE2 3.79Å; Q628-Y630 PolarHBondContact OE1-OH 3.01Å; Y630-F632 PolarHBondContact O-N 2.79Å; Y630-F659 WeakPolarHBondContact O-CA 3.35Å; Y630-L660 WeakPolarHBondContact CB-O 3.33Å; Y630-L660 WeakPolarHBondContact CD2-O 3.46Å; Y630-L660 PolarHBondContact N-O 3.01Å; Y630-L660 VanDerWaalsContact N-O 3.08Å; Y630-L660 PolarHBondContact O-N 3.06Å
631	R	94.8	Very high	93.8	Very high	67 Å²	67	49.8 Å²	49.8	25%	0.253	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	111.5	164.7	-167	-176.8	-174.9	115.2	-11.6	106.4	T487 W629 E634 V657 F659	T487-R631 WeakPolarHBondContact CB-O 3.18Å; T487-R631 PolarHBondContact OG1-O 3.32Å; T487-R631 VanDerWaalsContact OG1-O 3.08Å; W629-R631 PolarHBondContact O-N 3.18Å; R631-E634 IonicContact CZ-OE1 2.66Å; R631-E634 IonicContact NE-OE1 2.66Å; R631-E634 PolarHBondContact NE-OE1 3.05Å; R631-E634 IonicContact NH2-OE1 2.65Å; R631-E634 PolarHBondContact NH2-OE1 2.8Å; R631-V657 HydrophobicContact CG-CG1 3.66Å; R631-F659 HydrophobicContact CB-CD1 4.36Å; R631-F659 HydrophobicContact CB-CE1 4.07Å; R631-F659 HydrophobicContact CG-CE1 4.32Å
632	F	96.1	Very high	93.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-44.9	-164.7	-168.2	-93.1	0	0	0	112.2	T487 W488 F492 Y630 L658 L660 F858 L861 F862 M865	T487-F632 PolarHBondContact N-O 2.66Å; T487-F632 VanDerWaalsContact OG1-C 3.26Å; T487-F632 PolarHBondContact OG1-O 2.76Å; W488-F632 HydrophobicContact CB-CD1 4.43Å; W488-F632 HydrophobicContact CB-CD2 3.6Å; W488-F632 HydrophobicContact CB-CE1 4.39Å; W488-F632 HydrophobicContact CB-CE2 3.52Å; W488-F632 HydrophobicContact CB-CG 4.06Å; W488-F632 HydrophobicContact CB-CZ 3.93Å; W488-F632 WeakPolarHBondContact CB-O 3.36Å; W488-F632 HydrophobicContact CG-CE1 4.4Å; W488-F632 HydrophobicContact CG-CE2 4.12Å; W488-F632 HydrophobicContact CG-CZ 4.03Å; W488-F632 PolarHBondContact N-O 3.2Å; F492-F632 HydrophobicContact CE2-CD2 4.19Å; F492-F632 HydrophobicContact CE2-CE2 4.27Å; Y630-F632 PolarHBondContact O-N 2.79Å; F632-L658 WeakPolarHBondContact CB-O 3.41Å; F632-L658 PolarHBondContact N-O 2.95Å; F632-L660 HydrophobicContact CD2-CB 4.33Å; F632-L660 HydrophobicContact CD2-CD2 4.16Å; F632-L660 HydrophobicContact CE2-CD2 4.34Å; F632-F858 HydrophobicContact CB-CE2 4.35Å; F632-F858 AromaticContact CD1-CD2 3.44Å; F632-F858 HydrophobicContact CD1-CD2 3.44Å; F632-F858 VanDerWaalsContact CD1-CD2 3.44Å; F632-F858 AromaticContact CD1-CE2 3.42Å; F632-F858 HydrophobicContact CD1-CE2 3.42Å; F632-F858 VanDerWaalsContact CD1-CE2 3.42Å; F632-F858 HydrophobicContact CD1-CZ 4.49Å; F632-F858 HydrophobicContact CD2-CE2 4.3Å; F632-F858 AromaticContact CE1-CD2 3.73Å; F632-F858 HydrophobicContact CE1-CD2 3.73Å; F632-F858 AromaticContact CE1-CE2 3.71Å; F632-F858 HydrophobicContact CE1-CE2 3.71Å; F632-F858 HydrophobicContact CE1-CG 4.47Å; F632-F858 HydrophobicContact CE1-CZ 4.44Å; F632-F858 HydrophobicContact CG-CD2 4.19Å; F632-F858 AromaticContact CG-CE2 3.76Å; F632-F858 HydrophobicContact CG-CE2 3.76Å; F632-F858 HydrophobicContact CZ-CE2 4.3Å; F632-L861 HydrophobicContact CE1-CB 3.74Å; F632-L861 HydrophobicContact CZ-CB 4.35Å; F632-F862 HydrophobicContact CE1-CB 4.49Å; F632-F862 HydrophobicContact CE2-CD2 4.09Å; F632-F862 HydrophobicContact CZ-CB 4.02Å; F632-F862 AromaticContact CZ-CD2 3.98Å; F632-F862 HydrophobicContact CZ-CD2 3.98Å; F632-F862 HydrophobicContact CZ-CG 4.48Å; F632-M865 HydrophobicContact CE2-CE 4.34Å; F632-M865 HydrophobicContact CE2-SD 3.97Å
633	A	96.8	Very high	92.5	Very high	1 Å²	1	57 Å²	57	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.8	173.8	0	0	0	0	0	111.2	V485 T487 L658 L861	V485-A633 CarbonylContact O-C 3.55Å; V485-A633 WeakPolarHBondContact O-CA 3.38Å; T487-A633 PolarHBondContact OG1-N 2.91Å; A633-L658 HydrophobicContact CB-CB 4.49Å; A633-L658 PolarHBondContact N-O 2.97Å; A633-L658 PolarHBondContact O-N 2.85Å; A633-L861 HydrophobicContact CB-CD1 3.99Å
634	E	96.3	Very high	91.2	Very high	18 Å²	18	60.5 Å²	60.5	8%	0.084	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.7	163.3	-51.9	-179	-178.6	0	0	109	A484 V485 R631 R636 T655 V656 V657	A484-E634 CarbonylContact C-O 3.16Å; A484-E634 WeakPolarHBondContact CA-O 3.39Å; V485-E634 HydrophobicContact CB-CB 4.12Å; V485-E634 HydrophobicContact CB-CG 4.4Å; V485-E634 PolarHBondContact N-O 2.69Å; V485-E634 PolarHBondContact O-N 2.86Å; R631-E634 IonicContact CZ-OE1 2.66Å; R631-E634 IonicContact NE-OE1 2.66Å; R631-E634 PolarHBondContact NE-OE1 3.05Å; R631-E634 IonicContact NH2-OE1 2.65Å; R631-E634 PolarHBondContact NH2-OE1 2.8Å; E634-R636 IonicContact OE2-CZ 3.28Å; E634-R636 IonicContact OE2-NE 3.62Å; E634-R636 PolarHBondContact OE2-NE 2.89Å; E634-R636 IonicContact OE2-NH2 2.68Å; E634-R636 PolarHBondContact OE2-NH2 3.45Å; E634-T655 HydrophobicContact CB-CG2 4.29Å; E634-V656 CarbonylContact C-O 3.49Å; E634-V656 WeakPolarHBondContact CA-O 3.3Å; E634-V657 HydrophobicContact CG-CG2 4.42Å
635	I	97.4	Very high	90.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.9	177.5	-52.4	174.1	0	0	0	106.7	F481 Y637 V656 L658 F853 E854 L857	F481-I635 HydrophobicContact CD2-CG2 3.67Å; F481-I635 HydrophobicContact CE2-CG2 3.82Å; I635-Y637 HydrophobicContact CB-CE2 4.15Å; I635-Y637 HydrophobicContact CG2-CD2 4.34Å; I635-Y637 HydrophobicContact CG2-CE1 4.37Å; I635-Y637 HydrophobicContact CG2-CE2 3.54Å; I635-V656 HydrophobicContact CB-CB 4.43Å; I635-V656 PolarHBondContact N-O 3.39Å; I635-V656 PolarHBondContact O-N 3.5Å; I635-L658 HydrophobicContact CD1-CD1 3.91Å; I635-L658 HydrophobicContact CD1-CG 4.34Å; I635-F853 HydrophobicContact CG2-CE1 3.95Å; I635-E854 HydrophobicContact CD1-CB 4.28Å; I635-E854 HydrophobicContact CD1-CG 4Å; I635-L857 HydrophobicContact CD1-CD2 3.94Å; I635-L857 HydrophobicContact CG1-CD2 4.12Å
636	R	96.5	Very high	89	Confident	83 Å²	83	62.9 Å²	62.9	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.9	-173.2	-55.5	-172.4	-173.1	176.8	-0.3	111.4	F482 N483 E634 V653 E654 T655	F482-R636 HydrophobicContact CD1-CB 4.36Å; F482-R636 VanDerWaalsContact CD1-O 3.24Å; F482-R636 WeakPolarHBondContact CD1-O 3.29Å; F482-R636 HydrophobicContact CE1-CB 3.63Å; F482-R636 HydrophobicContact CE2-CB 4.29Å; F482-R636 HydrophobicContact CZ-CB 3.59Å; F482-R636 PolarHBondContact N-O 3.22Å; F482-R636 VanDerWaalsContact N-O 3.16Å; N483-R636 WeakPolarHBondContact O-CB 3.22Å; N483-R636 PolarHBondContact O-N 2.85Å; E634-R636 IonicContact OE2-CZ 3.28Å; E634-R636 IonicContact OE2-NE 3.62Å; E634-R636 PolarHBondContact OE2-NE 2.89Å; E634-R636 IonicContact OE2-NH2 2.68Å; E634-R636 PolarHBondContact OE2-NH2 3.45Å; R636-V653 HydrophobicContact CB-CG1 4.21Å; R636-E654 WeakPolarHBondContact CA-O 3.49Å; R636-T655 HydrophobicContact CG-CG2 4.22Å
637	Y	96.3	Very high	88.2	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.1	-177.8	-59.2	-89.1	0	0	0	110.5	P478 D480 F481 I635 R639 V653 E654 V656 E850 F853 E854	P478-Y637 HydrophobicContact CB-CE1 4.16Å; P478-Y637 HydrophobicContact CG-CE1 4.11Å; D480-Y637 CarbonylContact O-C 3.42Å; D480-Y637 WeakPolarHBondContact O-CA 3.39Å; F481-Y637 HydrophobicContact CB-CD1 4.09Å; F481-Y637 HydrophobicContact CB-CE1 4.04Å; I635-Y637 HydrophobicContact CB-CE2 4.15Å; I635-Y637 HydrophobicContact CG2-CD2 4.34Å; I635-Y637 HydrophobicContact CG2-CE1 4.37Å; I635-Y637 HydrophobicContact CG2-CE2 3.54Å; Y637-R639 PolarHBondContact O-N 2.99Å; Y637-V653 WeakPolarHBondContact O-CA 3.3Å; Y637-E654 PolarHBondContact N-O 2.81Å; Y637-E654 PolarHBondContact O-N 3.11Å; Y637-V656 HydrophobicContact CD2-CG2 4.05Å; Y637-V656 HydrophobicContact CE2-CB 4.41Å; Y637-V656 HydrophobicContact CE2-CG2 3.71Å; Y637-E850 HydrophobicContact CE1-CG 3.98Å; Y637-F853 HydrophobicContact CE1-CE1 4.4Å; Y637-F853 WeakPolarHBondContact OH-CD1 3.42Å; Y637-E854 WeakPolarHBondContact OH-CG 3.34Å
638	H	94.9	Very high	87.7	Confident	116 Å²	116	69 Å²	69	54%	0.537	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	90.5	173.4	178.6	-69.5	0	0	0	109.5	D480 F482	D480-H638 PolarHBondContact O-N 3.4Å; F482-H638 HydrophobicContact CD1-CB 4.21Å
639	R	92.9	Very high	87.3	Confident	32 Å²	32	66.5 Å²	66.5	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.3	-178.9	-58.3	-55.3	-164.3	179.5	11.7	110.7	D480 Y637 A651 H652 E654 E850	D480-R639 IonicContact OD2-CZ 3.92Å; D480-R639 IonicContact OD2-NE 2.7Å; D480-R639 IonicContact OD2-NH1 3.21Å; D480-R639 PolarHBondContact OD2-NH1 3.32Å; Y637-R639 PolarHBondContact O-N 2.99Å; R639-A651 WeakPolarHBondContact O-CA 3.44Å; R639-H652 PolarHBondContact N-O 3.29Å; R639-H652 PolarHBondContact O-N 3.09Å; R639-E654 HydrophobicContact CG-CB 3.83Å; R639-E654 IonicContact CZ-OE2 3.24Å; R639-E654 IonicContact NE-OE2 2.77Å; R639-E654 PolarHBondContact NE-OE2 3.14Å; R639-E654 IonicContact NH2-OE2 2.9Å; R639-E654 PolarHBondContact NH2-OE2 3.4Å; R639-E850 IonicContact CZ-OE1 3.1Å; R639-E850 IonicContact CZ-OE2 2.76Å; R639-E850 IonicContact NH1-OE1 3.91Å; R639-E850 IonicContact NH1-OE2 3.34Å; R639-E850 PolarHBondContact NH1-OE2 2.82Å; R639-E850 IonicContact NH2-OE1 2.69Å; R639-E850 PolarHBondContact NH2-OE1 3.29Å; R639-E850 IonicContact NH2-OE2 3.14Å; R639-E850 PolarHBondContact NH2-OE2 2.88Å; R639-E850 VanDerWaalsContact NH2-OE2 3.08Å
640	P	91.9	Very high	86.9	Confident	66 Å²	66	68.5 Å²	68.5	43%	0.429	35%	0.347	S	S	.	.			trans	-69.8	178.2	172.4	32.2	-35.1	0	0	0	111.2	E642	P640-E642 HydrophobicContact CG-CG 4.21Å; P640-E642 PolarHBondContact O-N 2.89Å
641	E	89.1	Confident	86.8	Confident	139 Å²	139	68.2 Å²	68.2	65%	0.65	36%	0.358	S	S	*	.			trans	-70.3	121.3	170.3	-177.3	175.8	156.6	0	0	109.9	T648 V649	E641-T648 HydrophobicContact CG-CG2 3.75Å; E641-T648 VanDerWaalsContact OE1-CG2 3.28Å; E641-T648 WeakPolarHBondContact OE1-CG2 3.45Å; E641-V649 WeakPolarHBondContact CA-O 3.4Å
642	E	84.8	Confident	86.6	Confident	104 Å²	104	66.7 Å²	66.7	49%	0.486	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.2	-175.1	-71.5	-165.2	-172.7	0	0	112.2	P640 V649	P640-E642 HydrophobicContact CG-CG 4.21Å; P640-E642 PolarHBondContact O-N 2.89Å; E642-V649 PolarHBondContact N-O 2.83Å; E642-V649 PolarHBondContact O-N 3.4Å
643	T	76.2	Confident	86.6	Confident	100 Å²	100	69.5 Å²	69.5	61%	0.613	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	86.8	177.2	-55.5	0	0	0	0	111	R647	T643-R647 CarbonylContact C-O 3.57Å
644	H	67.8	Low	86.5	Confident	75 Å²	75	69.7 Å²	69.7	35%	0.347	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121	179.7	-164.2	86	0	0	0	111.5	G646 R647 V649	H644-G646 PolarHBondContact O-N 3.43Å; H644-R647 PolarHBondContact N-O 3.02Å; H644-R647 PolarHBondContact O-N 3.31Å; H644-V649 HydrophobicContact CB-CG2 4.35Å
645	K	69.9	Low	86.5	Confident	159 Å²	159	69.2 Å²	69.2	69%	0.691	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	29.2	178.2	-64.7	167.8	-176.2	155.9	0	114.4
646	G	68.2	Low	86.5	Confident	72 Å²	72	69.2 Å²	69.2	74%	0.742	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	1.7	-178.2	0	0	0	0	0	115.5	H644	H644-G646 PolarHBondContact O-N 3.43Å
647	R	75.6	Confident	86.5	Confident	155 Å²	155	65.2 Å²	65.2	59%	0.585	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.5	169.3	-174.5	-179.9	-174.7	-173.4	0.5	109	T643 H644 V649	T643-R647 CarbonylContact C-O 3.57Å; H644-R647 PolarHBondContact N-O 3.02Å; H644-R647 PolarHBondContact O-N 3.31Å; R647-V649 PolarHBondContact O-N 2.78Å
648	T	77.7	Confident	86.6	Confident	76 Å²	76	65.2 Å²	65.2	47%	0.466	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.9	170	-49.6	0	0	0	0	109.4	E641	E641-T648 HydrophobicContact CG-CG2 3.75Å; E641-T648 VanDerWaalsContact OE1-CG2 3.28Å; E641-T648 WeakPolarHBondContact OE1-CG2 3.45Å
649	V	81.9	Confident	86.7	Confident	25 Å²	25	60 Å²	60	15%	0.152	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.6	170.1	-173	0	0	0	0	106.1	E641 E642 H644 R647	E641-V649 WeakPolarHBondContact CA-O 3.4Å; E642-V649 PolarHBondContact N-O 2.83Å; E642-V649 PolarHBondContact O-N 3.4Å; H644-V649 HydrophobicContact CB-CG2 4.35Å; R647-V649 PolarHBondContact O-N 2.78Å
650	P	86.6	Confident	86.9	Confident	87 Å²	87	58.6 Å²	58.6	57%	0.565	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-64.1	161.3	179.8	29	-35.7	0	0	0	110.9	H652	P650-H652 PolarHBondContact O-N 3.39Å; P650-H652 PolarHBondContact O-ND1 3.28Å
651	A	90.8	Very high	87	Confident	58 Å²	58	55.7 Å²	55.7	48%	0.479	31%	0.307	S	S	.	.	S	Bend	trans	-55.6	130.8	171.1	0	0	0	0	0	110.5	R639	R639-A651 WeakPolarHBondContact O-CA 3.44Å
652	H	91.7	Very high	87.1	Confident	35 Å²	35	49.1 Å²	49.1	16%	0.162	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	165.3	-170.1	63.9	-78	0	0	0	111.9	R639 P650	R639-H652 PolarHBondContact N-O 3.29Å; R639-H652 PolarHBondContact O-N 3.09Å; P650-H652 PolarHBondContact O-N 3.39Å; P650-H652 PolarHBondContact O-ND1 3.28Å
653	V	94.4	Very high	87.4	Confident	58 Å²	58	44.3 Å²	44.3	35%	0.352	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.5	165.6	174.3	0	0	0	0	108.4	F482 R636 Y637	F482-V653 HydrophobicContact CE1-CG1 3.97Å; F482-V653 HydrophobicContact CE1-CG2 4.17Å; F482-V653 HydrophobicContact CZ-CG1 3.93Å; F482-V653 HydrophobicContact CZ-CG2 4.1Å; R636-V653 HydrophobicContact CB-CG1 4.21Å; Y637-V653 WeakPolarHBondContact O-CA 3.3Å
654	E	95.3	Very high	87.9	Confident	5 Å²	5	42 Å²	42	2%	0.023	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.6	162.7	174.5	170.5	-164.7	0	0	108.6	H530 H590 R636 Y637 R639 V656	H530-E654 WeakPolarHBondContact O-CB 3.48Å; H530-E654 VanDerWaalsContact O-CG 3.3Å; H530-E654 WeakPolarHBondContact O-CG 3.34Å; H590-E654 IonicContact CD2-OE1 3.79Å; H590-E654 IonicContact NE2-OE1 2.62Å; R636-E654 WeakPolarHBondContact CA-O 3.49Å; Y637-E654 PolarHBondContact N-O 2.81Å; Y637-E654 PolarHBondContact O-N 3.11Å; R639-E654 HydrophobicContact CG-CB 3.83Å; R639-E654 IonicContact CZ-OE2 3.24Å; R639-E654 IonicContact NE-OE2 2.77Å; R639-E654 PolarHBondContact NE-OE2 3.14Å; R639-E654 IonicContact NH2-OE2 2.9Å; R639-E654 PolarHBondContact NH2-OE2 3.4Å; E654-V656 HydrophobicContact CG-CG2 4.13Å
655	T	96.3	Very high	88.8	Confident	8 Å²	8	42.3 Å²	42.3	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	108	170.1	-58.8	0	0	0	0	109.5	T531 Y532 S533 E634 R636 V657	T531-T655 PolarHBondContact O-N 3.44Å; Y532-T655 WeakPolarHBondContact CA-O 3.1Å; Y532-T655 HydrophobicContact CD1-CG2 4.23Å; Y532-T655 HydrophobicContact CE1-CG2 3.83Å; S533-T655 PolarHBondContact N-O 2.95Å; S533-T655 VanDerWaalsContact N-O 3.13Å; E634-T655 HydrophobicContact CB-CG2 4.29Å; R636-T655 HydrophobicContact CG-CG2 4.22Å; T655-V657 HydrophobicContact CG2-CG2 4.01Å
656	V	97.4	Very high	89.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.7	170	-175.7	0	0	0	0	108.5	S533 K535 E634 I635 Y637 E654 L658 E854	S533-V656 CarbonylContact O-C 3.51Å; S533-V656 WeakPolarHBondContact O-CA 3.48Å; K535-V656 HydrophobicContact CD-CG1 3.66Å; K535-V656 HydrophobicContact CG-CG1 4.14Å; E634-V656 CarbonylContact C-O 3.49Å; E634-V656 WeakPolarHBondContact CA-O 3.3Å; I635-V656 HydrophobicContact CB-CB 4.43Å; I635-V656 PolarHBondContact N-O 3.39Å; I635-V656 PolarHBondContact O-N 3.5Å; Y637-V656 HydrophobicContact CD2-CG2 4.05Å; Y637-V656 HydrophobicContact CE2-CB 4.41Å; Y637-V656 HydrophobicContact CE2-CG2 3.71Å; E654-V656 HydrophobicContact CG-CG2 4.13Å; V656-L658 HydrophobicContact CG1-CD2 3.99Å; V656-E854 WeakPolarHBondContact CG1-OE1 3.28Å; V656-E854 WeakPolarHBondContact CG2-OE1 3.22Å
657	V	97.2	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.2	177.3	-175	0	0	0	0	109.2	S533 K535 L607 R631 E634 T655 F659	S533-V657 PolarHBondContact O-N 2.87Å; K535-V657 PolarHBondContact N-O 2.75Å; L607-V657 HydrophobicContact CD1-CB 4.41Å; L607-V657 HydrophobicContact CD1-CG2 3.89Å; R631-V657 HydrophobicContact CG-CG1 3.66Å; E634-V657 HydrophobicContact CG-CG2 4.42Å; T655-V657 HydrophobicContact CG2-CG2 4.01Å; V657-F659 HydrophobicContact CB-CE2 4.02Å; V657-F659 HydrophobicContact CG1-CD2 4.05Å; V657-F659 HydrophobicContact CG1-CE1 4.39Å; V657-F659 HydrophobicContact CG1-CE2 3.5Å; V657-F659 HydrophobicContact CG1-CZ 3.71Å
658	L	98	Very high	91.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.3	176.3	-55.9	-170.7	0	0	0	109.8	K535 A586 F632 A633 I635 V656 F858	K535-L658 HydrophobicContact CB-CD2 3.88Å; K535-L658 HydrophobicContact CD-CD2 4.46Å; K535-L658 WeakPolarHBondContact O-CA 3.2Å; A586-L658 HydrophobicContact CB-CD2 4.43Å; F632-L658 WeakPolarHBondContact CB-O 3.41Å; F632-L658 PolarHBondContact N-O 2.95Å; A633-L658 HydrophobicContact CB-CB 4.49Å; A633-L658 PolarHBondContact N-O 2.97Å; A633-L658 PolarHBondContact O-N 2.85Å; I635-L658 HydrophobicContact CD1-CD1 3.91Å; I635-L658 HydrophobicContact CD1-CG 4.34Å; V656-L658 HydrophobicContact CG1-CD2 3.99Å; L658-F858 HydrophobicContact CD1-CB 3.93Å; L658-F858 HydrophobicContact CD1-CD2 4.32Å
659	F	97.6	Very high	92	Very high	5 Å²	5	28 Å²	28	2%	0.022	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144	177.6	-70.9	-85.4	0	0	0	111.9	A534 K535 V536 M537 L607 I608 W629 Y630 R631 V657	A534-F659 HydrophobicContact CB-CD2 4.49Å; A534-F659 HydrophobicContact CB-CE2 4.16Å; K535-F659 PolarHBondContact O-N 3.47Å; V536-F659 WeakPolarHBondContact CA-O 3.46Å; V536-F659 HydrophobicContact CG1-CB 3.89Å; M537-F659 PolarHBondContact N-O 2.84Å; M537-F659 VanDerWaalsContact N-O 3.08Å; L607-F659 HydrophobicContact CB-CE2 3.92Å; L607-F659 HydrophobicContact CB-CZ 3.88Å; I608-F659 HydrophobicContact CG1-CE1 4.01Å; I608-F659 HydrophobicContact CG1-CZ 4.22Å; W629-F659 HydrophobicContact CE3-CB 4.09Å; W629-F659 HydrophobicContact CE3-CD1 4.15Å; W629-F659 HydrophobicContact CE3-CG 4.18Å; W629-F659 HydrophobicContact CZ3-CB 4.32Å; Y630-F659 WeakPolarHBondContact O-CA 3.35Å; R631-F659 HydrophobicContact CB-CD1 4.36Å; R631-F659 HydrophobicContact CB-CE1 4.07Å; R631-F659 HydrophobicContact CG-CE1 4.32Å; V657-F659 HydrophobicContact CB-CE2 4.02Å; V657-F659 HydrophobicContact CG1-CD2 4.05Å; V657-F659 HydrophobicContact CG1-CE1 4.39Å; V657-F659 HydrophobicContact CG1-CE2 3.5Å; V657-F659 HydrophobicContact CG1-CZ 3.71Å
660	L	95.7	Very high	92.2	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	99.6	168.6	175.8	62.4	0	0	0	108	F492 F498 M537 L539 F574 Y630 F632 F862	F492-L660 HydrophobicContact CE2-CD2 4.47Å; F492-L660 HydrophobicContact CZ-CD2 4.29Å; F498-L660 HydrophobicContact CE2-CD2 4.15Å; M537-L660 WeakPolarHBondContact O-CD1 3.31Å; L539-L660 HydrophobicContact CB-CD1 4.12Å; F574-L660 HydrophobicContact CE1-CD1 4.46Å; Y630-L660 WeakPolarHBondContact CB-O 3.33Å; Y630-L660 WeakPolarHBondContact CD2-O 3.46Å; Y630-L660 PolarHBondContact N-O 3.01Å; Y630-L660 VanDerWaalsContact N-O 3.08Å; Y630-L660 PolarHBondContact O-N 3.06Å; F632-L660 HydrophobicContact CD2-CB 4.33Å; F632-L660 HydrophobicContact CD2-CD2 4.16Å; F632-L660 HydrophobicContact CE2-CD2 4.34Å; L660-F862 HydrophobicContact CD2-CD2 4.35Å; L660-F862 HydrophobicContact CD2-CE2 3.86Å
661	P	94.8	Very high	92.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.032	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	156.5	-179.7	34.1	-32.5	0	0	0	113	V536 L538 L623 C626 W629 V663	V536-P661 HydrophobicContact CB-CG 4.48Å; V536-P661 HydrophobicContact CG1-CG 4.14Å; L538-P661 HydrophobicContact CD2-CG 3.52Å; L623-P661 HydrophobicContact CD1-CG 4.4Å; C626-P661 HydrophobicContact CB-CB 4.23Å; W629-P661 HydrophobicContact CD2-CB 4.02Å; W629-P661 HydrophobicContact CE3-CB 4Å; W629-P661 HydrophobicContact CH2-CB 4.18Å; W629-P661 HydrophobicContact CZ2-CB 4.19Å; W629-P661 HydrophobicContact CZ3-CB 4.08Å; W629-P661 HydrophobicContact CZ3-CG 4.41Å; P661-V663 VanDerWaalsContact C-N 3.29Å; P661-V663 HydrophobicContact CG-CG1 4.1Å; P661-V663 PolarHBondContact O-N 3.26Å
662	D	90.7	Very high	92.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.18	C	C	.	.			trans	-77.2	69.2	176.2	63.1	-32.7	0	0	0	113.2	C626 T627 Q628 W664 H665	C626-D662 WeakPolarHBondContact CA-OD1 3.39Å; C626-D662 WeakPolarHBondContact CB-OD1 3.37Å; C626-D662 PolarHBondContact SG-O 2.88Å; C626-D662 VanDerWaalsContact SG-O 3.41Å; T627-D662 WeakPolarHBondContact CA-OD2 3.36Å; T627-D662 WeakPolarHBondContact CB-OD2 3.28Å; T627-D662 VanDerWaalsContact N-CG 3.29Å; T627-D662 PolarHBondContact N-OD1 2.85Å; T627-D662 PolarHBondContact N-OD2 3.45Å; T627-D662 PolarHBondContact OG1-OD2 3.44Å; Q628-D662 HydrophobicContact CB-CB 4.04Å; Q628-D662 PolarHBondContact N-OD1 3.2Å; Q628-D662 PolarHBondContact N-OD2 3.09Å; Q628-D662 VanDerWaalsContact N-OD2 3.14Å; Q628-D662 PolarHBondContact O-N 3.41Å; Q628-D662 VanDerWaalsContact O-N 3.12Å; Q628-D662 VanDerWaalsContact O-OD1 3.06Å; D662-W664 HydrophobicContact CB-CD2 4.1Å; D662-W664 HydrophobicContact CB-CE3 4.21Å; D662-W664 HydrophobicContact CB-CH2 3.59Å; D662-W664 HydrophobicContact CB-CZ2 3.45Å; D662-W664 VanDerWaalsContact CB-CZ2 3.45Å; D662-W664 HydrophobicContact CB-CZ3 3.97Å; D662-W664 PolarHBondContact O-N 3.15Å; D662-H665 PolarHBondContact O-N 3.06Å; D662-H665 IonicContact OD2-CE1 3.56Å; D662-H665 PolarHBondContact OD2-CE1 3Å; D662-H665 IonicContact OD2-ND1 2.8Å; D662-H665 PolarHBondContact OD2-ND1 3.41Å
663	V	91.3	Very high	92.3	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-58.1	-16.3	-174.8	-69	0	0	0	0	116.1	C504 F506 L538 L539 L623 P661 H665 C666 I817	C504-V663 HydrophobicContact CB-CG2 4.39Å; F506-V663 HydrophobicContact CZ-CB 4.29Å; F506-V663 HydrophobicContact CZ-CG1 4.35Å; F506-V663 HydrophobicContact CZ-CG2 4.19Å; L538-V663 HydrophobicContact CB-CG1 4.07Å; L538-V663 HydrophobicContact CD1-CG1 4.39Å; L538-V663 HydrophobicContact CD2-CG1 3.71Å; L538-V663 HydrophobicContact CG-CG1 4.27Å; L539-V663 WeakPolarHBondContact O-CG2 3.35Å; L623-V663 HydrophobicContact CD2-CG1 4.12Å; P661-V663 VanDerWaalsContact C-N 3.29Å; P661-V663 HydrophobicContact CG-CG1 4.1Å; P661-V663 PolarHBondContact O-N 3.26Å; V663-H665 PolarHBondContact O-N 3.44Å; V663-C666 WeakPolarHBondContact O-CA 3.39Å; V663-C666 VanDerWaalsContact O-CB 3.3Å; V663-C666 WeakPolarHBondContact O-CB 3.48Å; V663-C666 PolarHBondContact O-N 2.68Å; V663-I817 HydrophobicContact CB-CD1 4.22Å; V663-I817 WeakPolarHBondContact O-CD1 3.45Å
664	W	87.5	Confident	92	Very high	51 Å²	51	35.8 Å²	35.8	19%	0.193	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.1	179.4	57.4	75.7	0	0	0	113.3	N502 D662 C666 L667	N502-W664 HydrophobicContact CB-CB 3.72Å; N502-W664 HydrophobicContact CB-CD2 4.03Å; N502-W664 HydrophobicContact CB-CE3 4.4Å; N502-W664 HydrophobicContact CB-CG 3.74Å; N502-W664 VanDerWaalsContact ND2-CG 3.29Å; N502-W664 PolarHBondContact ND2-NE1 2.94Å; N502-W664 VanDerWaalsContact ND2-NE1 3.19Å; D662-W664 HydrophobicContact CB-CD2 4.1Å; D662-W664 HydrophobicContact CB-CE3 4.21Å; D662-W664 HydrophobicContact CB-CH2 3.59Å; D662-W664 HydrophobicContact CB-CZ2 3.45Å; D662-W664 VanDerWaalsContact CB-CZ2 3.45Å; D662-W664 HydrophobicContact CB-CZ3 3.97Å; D662-W664 PolarHBondContact O-N 3.15Å; W664-C666 PolarHBondContact O-N 3.33Å; W664-L667 HydrophobicContact CB-CD1 4.13Å; W664-L667 WeakPolarHBondContact O-CB 3.49Å; W664-L667 PolarHBondContact O-N 3.08Å
665	H	86.1	Confident	91.8	Very high	81 Å²	81	38.9 Å²	38.9	38%	0.375	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-72.8	-8.2	171.3	-65.2	121.4	0	0	0	113.7	L625 T627 D662 V663	L625-H665 VanDerWaalsContact O-CB 3.32Å; L625-H665 WeakPolarHBondContact O-CB 3.28Å; T627-H665 PolarHBondContact OG1-CE1 3.13Å; T627-H665 VanDerWaalsContact OG1-CE1 3.27Å; D662-H665 PolarHBondContact O-N 3.06Å; D662-H665 IonicContact OD2-CE1 3.56Å; D662-H665 PolarHBondContact OD2-CE1 3Å; D662-H665 IonicContact OD2-ND1 2.8Å; D662-H665 PolarHBondContact OD2-ND1 3.41Å; V663-H665 PolarHBondContact O-N 3.44Å
666	C	89.3	Confident	91.5	Very high	20 Å²	20	40.8 Å²	40.8	14%	0.135	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-96.2	3	172.4	-57.3	0	0	0	0	113.1	C626 V663 W664 I817	C626-C666 VanDerWaalsContact SG-SG 3.69Å; V663-C666 WeakPolarHBondContact O-CA 3.39Å; V663-C666 VanDerWaalsContact O-CB 3.3Å; V663-C666 WeakPolarHBondContact O-CB 3.48Å; V663-C666 PolarHBondContact O-N 2.68Å; W664-C666 PolarHBondContact O-N 3.33Å; C666-I817 HydrophobicContact CB-CD1 3.95Å
667	L	89.3	Confident	91	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.257	21%	0.214	S	C	.	.	S	Bend	trans	-72.2	128.3	173.8	-75.6	161.2	0	0	0	110.2	A503 C504 W664 I817	A503-L667 VanDerWaalsContact O-CD1 3.28Å; A503-L667 WeakPolarHBondContact O-CD1 3.4Å; C504-L667 HydrophobicContact CB-CD1 4.35Å; W664-L667 HydrophobicContact CB-CD1 4.13Å; W664-L667 WeakPolarHBondContact O-CB 3.49Å; W664-L667 PolarHBondContact O-N 3.08Å; L667-I817 HydrophobicContact CD2-CD1 4.4Å; L667-I817 HydrophobicContact CD2-CG1 3.71Å; L667-I817 HydrophobicContact CG-CD1 4.34Å; L667-I817 HydrophobicContact CG-CG1 4.05Å
668	P	89.3	Confident	90.6	Very high	22 Å²	22	47.6 Å²	47.6	14%	0.143	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-67.4	142	178.5	26.7	-32.4	0	0	0	111	E672 W673 L676 P815 T816	P668-E672 HydrophobicContact CB-CB 4.09Å; P668-W673 HydrophobicContact CG-CE3 3.58Å; P668-W673 HydrophobicContact CG-CZ3 4.09Å; P668-L676 HydrophobicContact CB-CD1 4.31Å; P668-P815 HydrophobicContact CG-CB 4.38Å; P668-P815 WeakPolarHBondContact O-CB 3.49Å; P668-T816 WeakPolarHBondContact CD-O 3.19Å
669	T	89.9	Confident	90.1	Very high	72 Å²	72	52.8 Å²	52.8	44%	0.442	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-62.6	160.7	171.9	63	0	0	0	0	111	S671 E672 W673	T669-S671 PolarHBondContact O-N 3.22Å; T669-S671 PolarHBondContact OG1-OG 2.99Å; T669-S671 VanDerWaalsContact OG1-OG 3.06Å; T669-E672 VanDerWaalsContact CB-OE2 3.27Å; T669-E672 WeakPolarHBondContact CB-OE2 3.19Å; T669-E672 VanDerWaalsContact CG2-OE2 3.31Å; T669-E672 WeakPolarHBondContact CG2-OE2 3.41Å; T669-E672 PolarHBondContact N-OE2 3.49Å; T669-E672 PolarHBondContact O-N 3.01Å; T669-E672 VanDerWaalsContact OG1-CD 3.24Å; T669-E672 VanDerWaalsContact OG1-CG 3.3Å; T669-E672 WeakPolarHBondContact OG1-CG 3.41Å; T669-E672 PolarHBondContact OG1-N 3.44Å; T669-E672 PolarHBondContact OG1-OE2 3.39Å; T669-W673 WeakPolarHBondContact O-CB 3.47Å; T669-W673 PolarHBondContact O-N 3.28Å
670	R	88	Confident	89.5	Confident	137 Å²	137	52.6 Å²	52.6	52%	0.517	26%	0.255	S	S	.	.	H	α-helix	trans	-53.4	-41.6	178.7	-169.8	71.9	-169.9	-176.5	6.4	112.5	W673 E674 D813	R670-W673 PolarHBondContact O-N 2.82Å; R670-E674 WeakPolarHBondContact CG-OE1 3.43Å; R670-E674 IonicContact NE-OE1 3.61Å; R670-E674 PolarHBondContact NE-OE1 3.18Å; R670-E674 VanDerWaalsContact NE-OE1 3.14Å; R670-E674 WeakPolarHBondContact O-CG 3Å; R670-E674 PolarHBondContact O-N 2.7Å; R670-D813 PolarHBondContact NH1-O 3.18Å; R670-D813 PolarHBondContact NH2-O 2.88Å
671	S	89.4	Confident	89.1	Confident	81 Å²	81	59.1 Å²	59.1	57%	0.566	28%	0.279	S	S	*	.	H	α-helix	trans	-64	-42.6	175.5	32.2	0	0	0	0	113.5	T669 V675	T669-S671 PolarHBondContact O-N 3.22Å; T669-S671 PolarHBondContact OG1-OG 2.99Å; T669-S671 VanDerWaalsContact OG1-OG 3.06Å; S671-V675 WeakPolarHBondContact O-CG2 3.43Å; S671-V675 PolarHBondContact O-N 3.46Å; S671-V675 VanDerWaalsContact O-N 3.12Å
672	E	88.9	Confident	88.8	Confident	102 Å²	102	63.3 Å²	63.3	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-70	-38	176.6	-69.3	162.2	134.5	0	0	111.2	P668 T669 E674 V675 L676	P668-E672 HydrophobicContact CB-CB 4.09Å; T669-E672 VanDerWaalsContact CB-OE2 3.27Å; T669-E672 WeakPolarHBondContact CB-OE2 3.19Å; T669-E672 VanDerWaalsContact CG2-OE2 3.31Å; T669-E672 WeakPolarHBondContact CG2-OE2 3.41Å; T669-E672 PolarHBondContact N-OE2 3.49Å; T669-E672 PolarHBondContact O-N 3.01Å; T669-E672 VanDerWaalsContact OG1-CD 3.24Å; T669-E672 VanDerWaalsContact OG1-CG 3.3Å; T669-E672 WeakPolarHBondContact OG1-CG 3.41Å; T669-E672 PolarHBondContact OG1-N 3.44Å; T669-E672 PolarHBondContact OG1-OE2 3.39Å; E672-E674 VanDerWaalsContact C-N 3.35Å; E672-E674 PolarHBondContact O-N 3.39Å; E672-V675 PolarHBondContact O-N 3.08Å; E672-L676 WeakPolarHBondContact O-CB 3.27Å; E672-L676 VanDerWaalsContact O-CG 3.27Å; E672-L676 WeakPolarHBondContact O-CG 3.32Å; E672-L676 PolarHBondContact O-N 3.26Å
673	W	91.1	Very high	88.5	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-42.9	174.8	-169.2	-116.8	0	0	0	112.2	P668 T669 R670 L676 S677 L811 P812 E814 P815 T816 L818	P668-W673 HydrophobicContact CG-CE3 3.58Å; P668-W673 HydrophobicContact CG-CZ3 4.09Å; T669-W673 WeakPolarHBondContact O-CB 3.47Å; T669-W673 PolarHBondContact O-N 3.28Å; R670-W673 PolarHBondContact O-N 2.82Å; W673-L676 PolarHBondContact O-N 3.27Å; W673-S677 WeakPolarHBondContact O-CB 3.43Å; W673-S677 PolarHBondContact O-N 3.4Å; W673-S677 PolarHBondContact O-OG 3.14Å; W673-L811 HydrophobicContact CE3-CD1 4.33Å; W673-L811 HydrophobicContact CH2-CB 4.11Å; W673-L811 HydrophobicContact CH2-CD1 3.74Å; W673-L811 HydrophobicContact CH2-CD2 4.31Å; W673-L811 HydrophobicContact CH2-CG 4.29Å; W673-L811 HydrophobicContact CZ2-CB 3.74Å; W673-L811 HydrophobicContact CZ2-CD1 3.98Å; W673-L811 HydrophobicContact CZ2-CG 4.38Å; W673-L811 HydrophobicContact CZ3-CD1 3.92Å; W673-P812 HydrophobicContact CZ2-CB 4.49Å; W673-P812 WeakPolarHBondContact CZ2-O 3.42Å; W673-P812 PolarHBondContact NE1-O 2.63Å; W673-E814 VanDerWaalsContact CZ2-O 3.3Å; W673-E814 WeakPolarHBondContact CZ2-O 3.45Å; W673-P815 HydrophobicContact CB-CB 4.23Å; W673-P815 HydrophobicContact CB-CG 4.16Å; W673-P815 HydrophobicContact CD2-CB 4.19Å; W673-P815 HydrophobicContact CG-CB 4.04Å; W673-P815 HydrophobicContact CG-CG 4.05Å; W673-T816 WeakPolarHBondContact CH2-OG1 3.36Å; W673-T816 WeakPolarHBondContact CZ3-O 3.43Å; W673-L818 HydrophobicContact CH2-CD2 3.65Å; W673-L818 HydrophobicContact CH2-CG 4.47Å; W673-L818 HydrophobicContact CZ3-CD1 4.41Å; W673-L818 HydrophobicContact CZ3-CD2 3.57Å; W673-L818 HydrophobicContact CZ3-CG 3.89Å
674	E	89.9	Confident	88.2	Confident	102 Å²	102	65.7 Å²	65.7	48%	0.477	31%	0.31	S	S	.	.	H	α-helix	trans	-68	-36.9	176.9	-74.8	168.3	-162.6	0	0	112.1	R670 E672 R678	R670-E674 WeakPolarHBondContact CG-OE1 3.43Å; R670-E674 IonicContact NE-OE1 3.61Å; R670-E674 PolarHBondContact NE-OE1 3.18Å; R670-E674 VanDerWaalsContact NE-OE1 3.14Å; R670-E674 WeakPolarHBondContact O-CG 3Å; R670-E674 PolarHBondContact O-N 2.7Å; E672-E674 VanDerWaalsContact C-N 3.35Å; E672-E674 PolarHBondContact O-N 3.39Å; E674-R678 WeakPolarHBondContact O-CB 3.49Å; E674-R678 PolarHBondContact O-N 3.17Å
675	V	90.6	Very high	88.1	Confident	69 Å²	69	66 Å²	66	42%	0.418	32%	0.324	S	S	.	.	H	α-helix	trans	-68.8	-44.1	173.7	170.2	0	0	0	0	112.1	S671 E672 R678 R679	S671-V675 WeakPolarHBondContact O-CG2 3.43Å; S671-V675 PolarHBondContact O-N 3.46Å; S671-V675 VanDerWaalsContact O-N 3.12Å; E672-V675 PolarHBondContact O-N 3.08Å; V675-R678 PolarHBondContact O-N 2.72Å; V675-R679 PolarHBondContact O-N 2.94Å
676	L	88.6	Confident	88.2	Confident	48 Å²	48	68.4 Å²	68.4	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-62.8	-46.2	175.2	-73.8	167.3	0	0	0	111.1	P516 P668 E672 W673 R678 R679 L680 L818	P516-L676 HydrophobicContact CG-CD2 4.22Å; P668-L676 HydrophobicContact CB-CD1 4.31Å; E672-L676 WeakPolarHBondContact O-CB 3.27Å; E672-L676 VanDerWaalsContact O-CG 3.27Å; E672-L676 WeakPolarHBondContact O-CG 3.32Å; E672-L676 PolarHBondContact O-N 3.26Å; W673-L676 PolarHBondContact O-N 3.27Å; L676-R678 VanDerWaalsContact C-N 3.27Å; L676-R678 PolarHBondContact O-N 3.24Å; L676-R679 PolarHBondContact O-N 2.92Å; L676-L680 PolarHBondContact O-N 2.8Å; L676-L818 HydrophobicContact CD1-CD1 4.22Å
677	S	87.9	Confident	87.9	Confident	17 Å²	17	72 Å²	72	12%	0.119	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-36	175.9	-62.9	0	0	0	0	112.3	W673 R681	W673-S677 WeakPolarHBondContact O-CB 3.43Å; W673-S677 PolarHBondContact O-N 3.4Å; W673-S677 PolarHBondContact O-OG 3.14Å; S677-R681 WeakPolarHBondContact O-CG 3.32Å; S677-R681 PolarHBondContact O-N 2.98Å; S677-R681 PolarHBondContact O-NE 2.88Å
678	R	88.2	Confident	87.6	Confident	127 Å²	127	71 Å²	71	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-71.5	-45.5	174.7	-160.1	-174.5	67.8	-126.7	-3.7	111.1	E674 V675 L676 L680 R681 E682	E674-R678 WeakPolarHBondContact O-CB 3.49Å; E674-R678 PolarHBondContact O-N 3.17Å; V675-R678 PolarHBondContact O-N 2.72Å; L676-R678 VanDerWaalsContact C-N 3.27Å; L676-R678 PolarHBondContact O-N 3.24Å; R678-L680 VanDerWaalsContact C-N 3.33Å; R678-L680 PolarHBondContact O-N 2.84Å; R678-R681 CarbonylContact O-C 3.59Å; R678-R681 WeakPolarHBondContact O-CA 3.41Å; R678-R681 WeakPolarHBondContact O-CB 3.46Å; R678-R681 PolarHBondContact O-N 3.35Å; R678-R681 VanDerWaalsContact O-N 3.09Å; R678-E682 WeakPolarHBondContact CD-OE1 3.3Å; R678-E682 HydrophobicContact CG-CG 4.47Å; R678-E682 WeakPolarHBondContact CG-OE1 3.5Å; R678-E682 IonicContact CZ-OE1 2.72Å; R678-E682 IonicContact NE-OE1 2.65Å; R678-E682 PolarHBondContact NE-OE1 2.76Å; R678-E682 IonicContact NH2-OE1 3.17Å; R678-E682 VanDerWaalsContact O-CG 3.29Å; R678-E682 WeakPolarHBondContact O-CG 3.41Å; R678-E682 PolarHBondContact O-N 2.91Å
679	R	87.1	Confident	87.2	Confident	109 Å²	109	72.8 Å²	72.8	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-59.2	-41	176.9	-176.2	178.1	-73.1	-171	3.5	112.5	P516 V675 L676 R681 E682 Q683	P516-R679 HydrophobicContact CB-CG 4.4Å; P516-R679 PolarHBondContact O-NH1 3.33Å; V675-R679 PolarHBondContact O-N 2.94Å; L676-R679 PolarHBondContact O-N 2.92Å; R679-R681 VanDerWaalsContact C-N 3.34Å; R679-E682 WeakPolarHBondContact CA-OE2 3.28Å; R679-E682 WeakPolarHBondContact O-CB 3.48Å; R679-E682 PolarHBondContact O-N 3.39Å; R679-Q683 HydrophobicContact CG-CG 4.48Å; R679-Q683 WeakPolarHBondContact O-CB 3.34Å; R679-Q683 WeakPolarHBondContact O-CG 3.4Å; R679-Q683 PolarHBondContact O-N 2.84Å
680	L	86.6	Confident	86.8	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-66.4	-35.7	175.7	-77.8	159.6	0	0	0	112.3	V513 L676 R678 L684 Y809 L811 L818	V513-L680 HydrophobicContact CG1-CD2 3.42Å; V513-L680 VanDerWaalsContact CG1-CD2 3.42Å; L676-L680 PolarHBondContact O-N 2.8Å; R678-L680 VanDerWaalsContact C-N 3.33Å; R678-L680 PolarHBondContact O-N 2.84Å; L680-L684 WeakPolarHBondContact O-CB 3.47Å; L680-L684 PolarHBondContact O-N 3.12Å; L680-Y809 HydrophobicContact CB-CD1 4.41Å; L680-Y809 HydrophobicContact CD2-CD1 4Å; L680-Y809 HydrophobicContact CD2-CE1 4.37Å; L680-Y809 VanDerWaalsContact O-CD1 3.3Å; L680-Y809 WeakPolarHBondContact O-CD1 3.43Å; L680-L811 HydrophobicContact CD1-CD1 3.56Å; L680-L811 HydrophobicContact CD1-CD2 3.98Å; L680-L811 HydrophobicContact CD1-CG 3.81Å; L680-L818 HydrophobicContact CD1-CD1 4.33Å
681	R	86.3	Confident	86.3	Confident	140 Å²	140	68.3 Å²	68.3	53%	0.528	34%	0.343	S	S	.	.	H	α-helix	trans	-69.6	-36.1	171.6	-78	178.4	-87.5	122	-10.1	112.9	S677 R678 R679 A685	S677-R681 WeakPolarHBondContact O-CG 3.32Å; S677-R681 PolarHBondContact O-N 2.98Å; S677-R681 PolarHBondContact O-NE 2.88Å; R678-R681 CarbonylContact O-C 3.59Å; R678-R681 WeakPolarHBondContact O-CA 3.41Å; R678-R681 WeakPolarHBondContact O-CB 3.46Å; R678-R681 PolarHBondContact O-N 3.35Å; R678-R681 VanDerWaalsContact O-N 3.09Å; R679-R681 VanDerWaalsContact C-N 3.34Å; R681-A685 WeakPolarHBondContact O-CB 3.41Å; R681-A685 PolarHBondContact O-N 3.08Å
682	E	88.1	Confident	85.6	Confident	94 Å²	94	71.4 Å²	71.4	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-48.8	172.4	-69.6	158.8	-176.8	0	0	110.3	R678 R679 L684 A685 E686	R678-E682 WeakPolarHBondContact CD-OE1 3.3Å; R678-E682 HydrophobicContact CG-CG 4.47Å; R678-E682 WeakPolarHBondContact CG-OE1 3.5Å; R678-E682 IonicContact CZ-OE1 2.72Å; R678-E682 IonicContact NE-OE1 2.65Å; R678-E682 PolarHBondContact NE-OE1 2.76Å; R678-E682 IonicContact NH2-OE1 3.17Å; R678-E682 VanDerWaalsContact O-CG 3.29Å; R678-E682 WeakPolarHBondContact O-CG 3.41Å; R678-E682 PolarHBondContact O-N 2.91Å; R679-E682 WeakPolarHBondContact CA-OE2 3.28Å; R679-E682 WeakPolarHBondContact O-CB 3.48Å; R679-E682 PolarHBondContact O-N 3.39Å; E682-L684 PolarHBondContact O-N 2.94Å; E682-A685 PolarHBondContact O-N 3.1Å; E682-E686 WeakPolarHBondContact O-CB 3.48Å; E682-E686 PolarHBondContact O-N 3.15Å
683	Q	85.9	Confident	85	Confident	30 Å²	30	71.7 Å²	71.7	14%	0.14	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-42.7	174.7	-72.7	174.6	-71.1	0	0	112.4	D514 R679 E686 K687 Y809	D514-Q683 PolarHBondContact O-NE2 2.94Å; R679-Q683 HydrophobicContact CG-CG 4.48Å; R679-Q683 WeakPolarHBondContact O-CB 3.34Å; R679-Q683 WeakPolarHBondContact O-CG 3.4Å; R679-Q683 PolarHBondContact O-N 2.84Å; Q683-E686 PolarHBondContact O-N 2.96Å; Q683-K687 WeakPolarHBondContact O-CB 3.11Å; Q683-K687 WeakPolarHBondContact O-CG 3.34Å; Q683-K687 PolarHBondContact O-N 2.9Å; Q683-Y809 HydrophobicContact CB-CE1 4.15Å
684	L	84.9	Confident	84.1	Confident	23 Å²	23	78.6 Å²	78.6	12%	0.12	38%	0.375	C	S	.	.	H	α-helix	trans	-60.3	-46.9	174.7	174.5	67.8	0	0	0	111.1	L680 E682 E686 K687 L688 E806 Y809	L680-L684 WeakPolarHBondContact O-CB 3.47Å; L680-L684 PolarHBondContact O-N 3.12Å; E682-L684 PolarHBondContact O-N 2.94Å; L684-E686 VanDerWaalsContact C-N 3.35Å; L684-E686 PolarHBondContact O-N 3.3Å; L684-K687 PolarHBondContact O-N 2.99Å; L684-L688 HydrophobicContact CD1-CD1 4.01Å; L684-L688 HydrophobicContact CD1-CG 4.11Å; L684-L688 HydrophobicContact CG-CD1 4.06Å; L684-L688 HydrophobicContact CG-CG 4.45Å; L684-L688 WeakPolarHBondContact O-CB 3.49Å; L684-L688 VanDerWaalsContact O-CG 3.27Å; L684-L688 WeakPolarHBondContact O-CG 3.49Å; L684-L688 PolarHBondContact O-N 3.08Å; L684-E806 HydrophobicContact CD1-CG 4.41Å; L684-E806 HydrophobicContact CD2-CB 4.23Å; L684-E806 HydrophobicContact CD2-CG 4.15Å; L684-Y809 HydrophobicContact CB-CD1 3.94Å; L684-Y809 HydrophobicContact CB-CE1 4.47Å; L684-Y809 HydrophobicContact CB-CG 3.95Å; L684-Y809 HydrophobicContact CD1-CD2 3.89Å; L684-Y809 HydrophobicContact CD1-CE2 4.39Å; L684-Y809 HydrophobicContact CD1-CG 4.11Å; L684-Y809 HydrophobicContact CG-CG 4.46Å
685	A	85.5	Confident	82.9	Confident	58 Å²	58	77.7 Å²	77.7	48%	0.479	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-40.2	178.6	0	0	0	0	0	112	R681 E682 L688 S689	R681-A685 WeakPolarHBondContact O-CB 3.41Å; R681-A685 PolarHBondContact O-N 3.08Å; E682-A685 PolarHBondContact O-N 3.1Å; A685-L688 PolarHBondContact O-N 2.65Å; A685-S689 WeakPolarHBondContact O-CB 3.46Å; A685-S689 PolarHBondContact O-N 2.84Å; A685-S689 PolarHBondContact O-OG 2.86Å
686	E	86.7	Confident	81.4	Confident	132 Å²	132	80.3 Å²	80.3	62%	0.617	40%	0.396	S	S	*	.	H	α-helix	trans	-59.8	-52.1	173.7	-174.7	-178.6	-169.5	0	0	111	E682 Q683 L684 L688 S689 A690	E682-E686 WeakPolarHBondContact O-CB 3.48Å; E682-E686 PolarHBondContact O-N 3.15Å; Q683-E686 PolarHBondContact O-N 2.96Å; L684-E686 VanDerWaalsContact C-N 3.35Å; L684-E686 PolarHBondContact O-N 3.3Å; E686-L688 PolarHBondContact O-N 3.04Å; E686-S689 PolarHBondContact O-N 2.69Å; E686-S689 PolarHBondContact O-OG 3.08Å; E686-A690 PolarHBondContact O-N 3.19Å
687	K	84.5	Confident	79.5	Confident	95 Å²	95	80.8 Å²	80.8	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-57.8	-45.2	177.3	-66.4	-77	-175.3	176	0	112	D514 Q683 L684 S689 A690 E691	D514-K687 WeakPolarHBondContact OD2-CE 3.38Å; D514-K687 IonicContact OD2-NZ 3.18Å; D514-K687 PolarHBondContact OD2-NZ 2.92Å; Q683-K687 WeakPolarHBondContact O-CB 3.11Å; Q683-K687 WeakPolarHBondContact O-CG 3.34Å; Q683-K687 PolarHBondContact O-N 2.9Å; L684-K687 PolarHBondContact O-N 2.99Å; K687-S689 VanDerWaalsContact C-N 3.29Å; K687-S689 PolarHBondContact O-N 2.99Å; K687-A690 PolarHBondContact O-N 2.9Å; K687-E691 WeakPolarHBondContact O-CB 3.11Å; K687-E691 PolarHBondContact O-N 2.84Å
688	L	82.5	Confident	77.7	Confident	27 Å²	27	86.8 Å²	86.8	14%	0.141	44%	0.439	C	S	.	.	H	α-helix	trans	-69.1	-25	177.4	-67.6	-178.5	0	0	0	113	L684 A685 E686 E691 R692 R802 E806	L684-L688 HydrophobicContact CD1-CD1 4.01Å; L684-L688 HydrophobicContact CD1-CG 4.11Å; L684-L688 HydrophobicContact CG-CD1 4.06Å; L684-L688 HydrophobicContact CG-CG 4.45Å; L684-L688 WeakPolarHBondContact O-CB 3.49Å; L684-L688 VanDerWaalsContact O-CG 3.27Å; L684-L688 WeakPolarHBondContact O-CG 3.49Å; L684-L688 PolarHBondContact O-N 3.08Å; A685-L688 PolarHBondContact O-N 2.65Å; E686-L688 PolarHBondContact O-N 3.04Å; L688-E691 WeakPolarHBondContact CD2-OE2 3.44Å; L688-R692 WeakPolarHBondContact O-CD 3.49Å; L688-R692 VanDerWaalsContact O-CG 3.26Å; L688-R692 WeakPolarHBondContact O-CG 3.5Å; L688-R692 PolarHBondContact O-N 2.87Å; L688-R802 HydrophobicContact CD1-CG 4.3Å; L688-R802 HydrophobicContact CD2-CG 3.45Å; L688-R802 VanDerWaalsContact CD2-CG 3.45Å; L688-E806 HydrophobicContact CD1-CG 4.14Å
689	S	81.4	Confident	75.5	Confident	60 Å²	60	88.7 Å²	88.7	42%	0.42	45%	0.453	S	S	.	.	H	α-helix	trans	-78.7	-34.1	172.3	76.3	0	0	0	0	112.4	A685 E686 K687 R692 K693	A685-S689 WeakPolarHBondContact O-CB 3.46Å; A685-S689 PolarHBondContact O-N 2.84Å; A685-S689 PolarHBondContact O-OG 2.86Å; E686-S689 PolarHBondContact O-N 2.69Å; E686-S689 PolarHBondContact O-OG 3.08Å; K687-S689 VanDerWaalsContact C-N 3.29Å; K687-S689 PolarHBondContact O-N 2.99Å; S689-R692 PolarHBondContact O-N 2.98Å; S689-K693 PolarHBondContact O-N 2.7Å
690	A	81.6	Confident	73.3	Confident	42 Å²	42	91.6 Å²	91.6	35%	0.347	47%	0.471	S	S	.	.	H	α-helix	trans	-69.5	-44.4	173	0	0	0	0	0	111.5	E686 K687 R692 K693 E694	E686-A690 PolarHBondContact O-N 3.19Å; K687-A690 PolarHBondContact O-N 2.9Å; A690-R692 PolarHBondContact O-N 2.73Å; A690-K693 PolarHBondContact O-N 3.08Å; A690-K693 VanDerWaalsContact O-N 3.12Å; A690-E694 WeakPolarHBondContact O-CG 3.48Å; A690-E694 PolarHBondContact O-N 2.78Å
691	E	75.6	Confident	71	Confident	73 Å²	73	101 Å²	101	34%	0.341	52%	0.516	S	S	.	.	H	α-helix	trans	-58.1	-34.6	174.3	-170.3	171.3	-156.8	0	0	111.3	K687 L688 A695 R805	K687-E691 WeakPolarHBondContact O-CB 3.11Å; K687-E691 PolarHBondContact O-N 2.84Å; L688-E691 WeakPolarHBondContact CD2-OE2 3.44Å; E691-A695 WeakPolarHBondContact O-CB 3.22Å; E691-A695 PolarHBondContact O-N 2.74Å; E691-R805 IonicContact OE1-CZ 3.88Å; E691-R805 IonicContact OE1-NE 3.99Å; E691-R805 IonicContact OE1-NH1 3.81Å; E691-R805 PolarHBondContact OE1-NH1 2.95Å; E691-R805 IonicContact OE2-NH1 3.2Å
692	R	76.2	Confident	68.7	Low	146 Å²	146	103.2 Å²	103.2	55%	0.551	53%	0.532	S	S	*	.	H	α-helix	trans	-68.2	-52.3	170	-74.5	171.2	-178.6	-74.9	-3.2	112.7	L688 S689 A690 E694 A695 D696	L688-R692 WeakPolarHBondContact O-CD 3.49Å; L688-R692 VanDerWaalsContact O-CG 3.26Å; L688-R692 WeakPolarHBondContact O-CG 3.5Å; L688-R692 PolarHBondContact O-N 2.87Å; S689-R692 PolarHBondContact O-N 2.98Å; A690-R692 PolarHBondContact O-N 2.73Å; R692-E694 VanDerWaalsContact C-N 3.27Å; R692-E694 PolarHBondContact O-N 3Å; R692-A695 CarbonylContact O-C 3.55Å; R692-A695 WeakPolarHBondContact O-CA 3.28Å; R692-A695 WeakPolarHBondContact O-CB 3.09Å; R692-A695 PolarHBondContact O-N 3.43Å; R692-D696 WeakPolarHBondContact O-CB 3.19Å; R692-D696 VanDerWaalsContact O-CG 3.31Å; R692-D696 PolarHBondContact O-N 2.81Å
693	K	76.4	Confident	66.5	Low	108 Å²	108	107.5 Å²	107.5	47%	0.47	55%	0.552	S	S	.	*	H	α-helix	trans	-57.1	-38.7	177.7	-76.1	-173.5	166.2	-154.9	0	113.2	S689 A690 G697 E698	S689-K693 PolarHBondContact O-N 2.7Å; A690-K693 PolarHBondContact O-N 3.08Å; A690-K693 VanDerWaalsContact O-N 3.12Å; K693-G697 PolarHBondContact O-N 2.63Å; K693-E698 PolarHBondContact O-N 3.02Å
694	E	71.6	Confident	64.1	Low	150 Å²	150	115.4 Å²	115.4	70%	0.701	59%	0.586	S	S	*	*	H	α-helix	trans	-67.8	-33.1	174.9	-72.5	-174.7	168	0	0	112.5	A690 R692	A690-E694 WeakPolarHBondContact O-CG 3.48Å; A690-E694 PolarHBondContact O-N 2.78Å; R692-E694 VanDerWaalsContact C-N 3.27Å; R692-E694 PolarHBondContact O-N 3Å
695	A	65.1	Low	61.9	Low	83 Å²	83	121.8 Å²	121.8	69%	0.686	62%	0.62	S	S	*	*	H	α-helix	trans	-78	-36.8	174.9	0	0	0	0	0	113.4	E691 R692 G697	E691-A695 WeakPolarHBondContact O-CB 3.22Å; E691-A695 PolarHBondContact O-N 2.74Å; R692-A695 CarbonylContact O-C 3.55Å; R692-A695 WeakPolarHBondContact O-CA 3.28Å; R692-A695 WeakPolarHBondContact O-CB 3.09Å; R692-A695 PolarHBondContact O-N 3.43Å; A695-G697 VanDerWaalsContact C-N 3.27Å
696	D	58.3	Low	59.4	Low	124 Å²	124	126.9 Å²	126.9	66%	0.663	64%	0.639	S	S	*	*	H	α-helix	trans	-76.5	-14.8	177.5	-65.6	-38	0	0	0	112	R692	R692-D696 WeakPolarHBondContact O-CB 3.19Å; R692-D696 VanDerWaalsContact O-CG 3.31Å; R692-D696 PolarHBondContact O-N 2.81Å
697	G	48.3	Very low	57.1	Low	58 Å²	58	129.7 Å²	129.7	60%	0.598	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.2	8	169.6	0	0	0	0	0	115.7	K693 A695 Q699	K693-G697 PolarHBondContact O-N 2.63Å; A695-G697 VanDerWaalsContact C-N 3.27Å; G697-Q699 PolarHBondContact O-N 3.15Å; G697-Q699 VanDerWaalsContact O-N 3.08Å
698	E	51.8	Low	54.7	Low	142 Å²	142	134.3 Å²	134.3	66%	0.664	68%	0.675	S	S	*	*			trans	-82	81.7	-178.2	-65.2	-171.8	160.1	0	0	111.8	K693	K693-E698 PolarHBondContact O-N 3.02Å
699	Q	40.6	Very low	52.7	Low	167 Å²	167	138.1 Å²	138.1	78%	0.78	70%	0.704	S	S	*	*			trans	-92.7	139.3	158.3	-73.2	-168.5	-12.3	0	0	110.6	G697 E701	G697-Q699 PolarHBondContact O-N 3.15Å; G697-Q699 VanDerWaalsContact O-N 3.08Å; Q699-E701 PolarHBondContact O-N 2.89Å
700	E	42.1	Very low	50.7	Low	170 Å²	170	145 Å²	145	79%	0.794	73%	0.726	S	S	*	*			trans	-74.1	107.3	-165.9	-65.4	162.1	161.4	0	0	112.6	E702	E700-E702 PolarHBondContact O-N 2.88Å
701	E	38	Very low	48.7	Very low	200 Å²	200	150.1 Å²	150.1	94%	0.935	75%	0.748	S	S	*	*			trans	-85.4	76.1	158.3	-75.9	-162.8	152.3	0	0	110.3	Q699	Q699-E701 PolarHBondContact O-N 2.89Å
702	E	37.7	Very low	47	Very low	186 Å²	186	153.5 Å²	153.5	87%	0.869	77%	0.773	S	S	*	*			trans	-109.4	78.9	163.3	-80.1	-156.6	161.8	0	0	111.5	E700	E700-E702 PolarHBondContact O-N 2.88Å
703	E	40.9	Very low	45.6	Very low	184 Å²	184	149.7 Å²	149.7	86%	0.86	77%	0.769	S	S	*	*	S	Bend	trans	-163	75.3	139	-128.9	-171.6	-141.2	0	0	112.9
704	K	36.3	Very low	44.4	Very low	196 Å²	196	152.2 Å²	152.2	85%	0.852	79%	0.786	S	S	*	*			trans	172.7	142.8	131.7	-99.4	172.7	-179	-171.7	0	115
705	D	38.8	Very low	44	Very low	156 Å²	156	147 Å²	147	83%	0.834	77%	0.769	S	S	*	*			trans	-65.1	129	153.2	-60.2	-66.2	0	0	0	110.7
706	D	33.5	Very low	44.4	Very low	165 Å²	165	145.6 Å²	145.6	88%	0.882	75%	0.752	S	S	*	*			trans	-168.4	150.9	136.5	-98.5	-31.6	0	0	0	109.1
707	E	37.6	Very low	45.1	Very low	191 Å²	191	143.7 Å²	143.7	89%	0.893	74%	0.739	S	S	*	*			trans	-78	127.2	-169.2	-57.3	172.4	109.7	0	0	114
708	E	33.6	Very low	46.4	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	72%	0.72	S	S	*	*				-171.9	138.4	122.7	-110.5	-170	159.4	0	0	113.8
709	S	40.7	Very low	47.4	Very low	106 Å²	106	141.2 Å²	141.2	74%	0.741	72%	0.716	S	S	*	*			trans	-75.2	133.3	-179.8	54.4	0	0	0	0	113.7
710	K	40.6	Very low	48.9	Very low	204 Å²	204	141.3 Å²	141.3	89%	0.887	71%	0.714	S	S	*	*			trans	-111.8	89.1	163.7	-79.2	176.7	-177.5	159.3	0	111.5	V712	K710-V712 PolarHBondContact O-N 3.18Å
711	D	38.7	Very low	50.6	Low	150 Å²	150	134.7 Å²	134.7	80%	0.802	68%	0.683	S	S	*	*			trans	-58.5	127.6	162.2	-86.2	-44.6	0	0	0	110.4	S713	D711-S713 VanDerWaalsContact C-N 3.32Å; D711-S713 PolarHBondContact O-N 3.32Å
712	V	41.2	Very low	52.5	Low	144 Å²	144	128.8 Å²	128.8	87%	0.873	66%	0.658	S	S	*	*			trans	-76.6	89.1	165.8	-179.8	0	0	0	0	107.7	K710 I714	K710-V712 PolarHBondContact O-N 3.18Å; V712-I714 PolarHBondContact O-N 2.86Å; V712-I714 VanDerWaalsContact O-N 3.14Å
713	S	46.8	Very low	54.4	Low	67 Å²	67	120.3 Å²	120.3	47%	0.469	62%	0.619	S	S	.	*			trans	-65.4	111.3	-172.2	59.9	0	0	0	0	112.8	D711	D711-S713 VanDerWaalsContact C-N 3.32Å; D711-S713 PolarHBondContact O-N 3.32Å
714	I	50.9	Low	56.2	Low	160 Å²	160	119.1 Å²	119.1	82%	0.821	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-58.9	138.5	171.5	-59.1	171.2	0	0	0	109.8	V712	V712-I714 PolarHBondContact O-N 2.86Å; V712-I714 VanDerWaalsContact O-N 3.14Å
715	A	62	Low	58.3	Low	42 Å²	42	114 Å²	114	35%	0.347	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-59.4	139.7	-179.4	0	0	0	0	0	112.6	C737 R738	A715-C737 HydrophobicContact CB-CB 4.21Å; A715-R738 HydrophobicContact CB-CG 4.39Å
716	T	74.6	Confident	60.2	Low	53 Å²	53	108 Å²	108	33%	0.325	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-79.6	132	-171.3	-48.2	0	0	0	0	111.3	W718 K720 L721 E734 R738	T716-W718 PolarHBondContact O-N 2.88Å; T716-K720 HydrophobicContact CG2-CB 4.24Å; T716-L721 HydrophobicContact CG2-CD2 4.06Å; T716-L721 HydrophobicContact CG2-CG 4.13Å; T716-L721 WeakPolarHBondContact O-CD1 3.41Å; T716-E734 VanDerWaalsContact CB-OE1 3.31Å; T716-E734 WeakPolarHBondContact CB-OE1 3.49Å; T716-E734 WeakPolarHBondContact CB-OE2 3.11Å; T716-E734 PolarHBondContact N-OE1 2.63Å; T716-E734 PolarHBondContact OG1-OE1 3.41Å; T716-E734 PolarHBondContact OG1-OE2 3.35Å; T716-R738 PolarHBondContact O-NH2 2.96Å
717	H	73.6	Confident	62.7	Low	83 Å²	83	107.6 Å²	107.6	38%	0.384	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-52.5	135.3	179.6	-158.1	-94.8	0	0	0	112.8	T719 K720 E764	H717-T719 VanDerWaalsContact C-N 3.28Å; H717-T719 PolarHBondContact CE1-OG1 2.72Å; H717-T719 PolarHBondContact ND1-OG1 3.08Å; H717-T719 PolarHBondContact O-N 2.93Å; H717-T719 VanDerWaalsContact O-N 3.13Å; H717-K720 PolarHBondContact O-N 3.15Å; H717-E764 IonicContact CE1-OE2 3.35Å; H717-E764 PolarHBondContact CE1-OE2 2.64Å; H717-E764 VanDerWaalsContact CE1-OE2 3.25Å; H717-E764 IonicContact NE2-OE1 3.66Å; H717-E764 IonicContact NE2-OE2 3.58Å; H717-E764 PolarHBondContact NE2-OE2 2.81Å
718	W	74.6	Confident	64.9	Low	55 Å²	55	100.9 Å²	100.9	21%	0.208	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-57.5	-38.7	-164.3	60.8	-91.7	0	0	0	113.9	T716 K720 L721 L757 E760 E761 E764	T716-W718 PolarHBondContact O-N 2.88Å; W718-K720 PolarHBondContact O-N 2.72Å; W718-K720 VanDerWaalsContact O-N 3.1Å; W718-L721 PolarHBondContact O-N 3.18Å; W718-L757 HydrophobicContact CB-CB 4.27Å; W718-L757 HydrophobicContact CB-CD2 3.57Å; W718-E760 HydrophobicContact CB-CB 4.33Å; W718-E760 HydrophobicContact CG-CB 4.3Å; W718-E761 HydrophobicContact CD2-CB 4.25Å; W718-E761 HydrophobicContact CE3-CB 4.13Å; W718-E761 HydrophobicContact CE3-CG 4.37Å; W718-E761 HydrophobicContact CH2-CB 4.28Å; W718-E761 HydrophobicContact CH2-CG 3.87Å; W718-E761 HydrophobicContact CZ2-CB 4.4Å; W718-E761 HydrophobicContact CZ2-CG 4.35Å; W718-E761 HydrophobicContact CZ3-CB 4.14Å; W718-E761 HydrophobicContact CZ3-CG 3.87Å; W718-E764 PolarHBondContact NE1-OE2 3.37Å
719	T	73.6	Confident	67.2	Low	93 Å²	93	97.3 Å²	97.3	57%	0.571	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-63.1	-14.8	179.8	-10.8	0	0	0	0	114.4	H717	H717-T719 VanDerWaalsContact C-N 3.28Å; H717-T719 PolarHBondContact CE1-OG1 2.72Å; H717-T719 PolarHBondContact ND1-OG1 3.08Å; H717-T719 PolarHBondContact O-N 2.93Å; H717-T719 VanDerWaalsContact O-N 3.13Å
720	K	71.9	Confident	69.3	Low	170 Å²	170	94.4 Å²	94.4	74%	0.739	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-99.4	1.8	-177.8	-63.4	178.3	-178.6	173	0	113.4	T716 H717 W718	T716-K720 HydrophobicContact CG2-CB 4.24Å; H717-K720 PolarHBondContact O-N 3.15Å; W718-K720 PolarHBondContact O-N 2.72Å; W718-K720 VanDerWaalsContact O-N 3.1Å
721	L	76.1	Confident	71.4	Confident	30 Å²	30	84.7 Å²	84.7	16%	0.157	45%	0.451	C	S	.	.			trans	-113.7	122.9	-174.5	-66.5	168.3	0	0	0	111.6	T716 W718 P723 M726 E734 L757	T716-L721 HydrophobicContact CG2-CD2 4.06Å; T716-L721 HydrophobicContact CG2-CG 4.13Å; T716-L721 WeakPolarHBondContact O-CD1 3.41Å; W718-L721 PolarHBondContact O-N 3.18Å; L721-P723 WeakPolarHBondContact O-CD 3.48Å; L721-M726 HydrophobicContact CD2-CE 3.94Å; L721-M726 HydrophobicContact CD2-SD 3.99Å; L721-E734 HydrophobicContact CD1-CG 3.64Å; L721-E734 HydrophobicContact CD2-CG 4Å; L721-E734 HydrophobicContact CG-CG 4.49Å; L721-L757 HydrophobicContact CB-CD1 4.13Å; L721-L757 HydrophobicContact CB-CD2 4.32Å; L721-L757 HydrophobicContact CD1-CD2 3.58Å
722	D	78.3	Confident	73.6	Confident	76 Å²	76	82.1 Å²	82.1	41%	0.406	43%	0.43	S	S	.	.			trans	-107.1	101.4	160.6	167.1	38.7	0	0	0	110.4	K724 S725 M726	D722-K724 PolarHBondContact O-N 2.95Å; D722-K724 WeakPolarHBondContact OD1-CB 3.5Å; D722-K724 PolarHBondContact OD1-N 3.48Å; D722-S725 PolarHBondContact O-N 3.36Å; D722-S725 PolarHBondContact O-OG 3.48Å; D722-S725 WeakPolarHBondContact OD2-CB 3.14Å; D722-S725 PolarHBondContact OD2-N 2.82Å; D722-S725 PolarHBondContact OD2-OG 3.4Å; D722-M726 VanDerWaalsContact O-CG 3.3Å; D722-M726 WeakPolarHBondContact O-CG 3.16Å; D722-M726 PolarHBondContact O-N 2.92Å
723	P	78.9	Confident	75.6	Confident	8 Å²	8	82 Å²	82	5%	0.052	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24	176.9	-29.9	38.3	0	0	0	114.8	L721 L731 I750 L753 T754 L757	L721-P723 WeakPolarHBondContact O-CD 3.48Å; P723-L731 HydrophobicContact CB-CD2 3.99Å; P723-I750 HydrophobicContact CB-CB 4.48Å; P723-I750 HydrophobicContact CB-CG1 4.47Å; P723-I750 HydrophobicContact CB-CG2 4.02Å; P723-I750 WeakPolarHBondContact O-CD1 3.47Å; P723-I750 VanDerWaalsContact O-CG1 3.28Å; P723-I750 WeakPolarHBondContact O-CG1 3.46Å; P723-L753 HydrophobicContact CB-CD2 4.35Å; P723-L753 HydrophobicContact CG-CB 4.35Å; P723-L753 HydrophobicContact CG-CD2 4.01Å; P723-L753 HydrophobicContact CG-CG 4.08Å; P723-T754 WeakPolarHBondContact CG-OG1 3.32Å; P723-L757 HydrophobicContact CG-CD1 3.53Å
724	K	78.3	Confident	77.5	Confident	160 Å²	160	79.6 Å²	79.6	70%	0.696	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-44	-176.9	-65.3	175.5	-178.4	169.7	0	111.9	D722 K746	D722-K724 PolarHBondContact O-N 2.95Å; D722-K724 WeakPolarHBondContact OD1-CB 3.5Å; D722-K724 PolarHBondContact OD1-N 3.48Å; K724-K746 PolarHBondContact O-NZ 3.09Å
725	S	79.5	Confident	79.2	Confident	89 Å²	89	72 Å²	72	62%	0.622	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-31.3	179.6	56.3	0	0	0	0	114.6	D722	D722-S725 PolarHBondContact O-N 3.36Å; D722-S725 PolarHBondContact O-OG 3.48Å; D722-S725 WeakPolarHBondContact OD2-CB 3.14Å; D722-S725 PolarHBondContact OD2-N 2.82Å; D722-S725 PolarHBondContact OD2-OG 3.4Å
726	M	80.1	Confident	80	Confident	29 Å²	29	73.9 Å²	73.9	14%	0.143	36%	0.36	C	S	.	.	S	Bend	trans	-51.3	150	179.6	-72.2	170.1	81.3	0	0	114	L721 D722 D730 L731 E734 K746 L753	L721-M726 HydrophobicContact CD2-CE 3.94Å; L721-M726 HydrophobicContact CD2-SD 3.99Å; D722-M726 VanDerWaalsContact O-CG 3.3Å; D722-M726 WeakPolarHBondContact O-CG 3.16Å; D722-M726 PolarHBondContact O-N 2.92Å; M726-D730 HydrophobicContact CB-CB 4.38Å; M726-D730 HydrophobicContact CE-CB 3.89Å; M726-L731 HydrophobicContact CB-CD2 3.93Å; M726-L731 HydrophobicContact CB-CG 3.83Å; M726-L731 HydrophobicContact CE-CD2 4.4Å; M726-L731 HydrophobicContact SD-CD2 4.02Å; M726-E734 HydrophobicContact CE-CB 3.91Å; M726-E734 HydrophobicContact CE-CG 4.21Å; M726-K746 WeakPolarHBondContact O-CE 3.32Å; M726-K746 PolarHBondContact O-NZ 2.86Å; M726-L753 HydrophobicContact CE-CD2 4.24Å; M726-L753 HydrophobicContact SD-CD2 4.11Å
727	K	85.8	Confident	80.4	Confident	156 Å²	156	73.6 Å²	73.6	68%	0.678	36%	0.36	S	S	*	.			trans	-80.4	165.5	174.5	-54.7	170.7	-178.6	168.1	0	110.6	N729 D730 L731	K727-N729 VanDerWaalsContact C-N 3.3Å; K727-N729 PolarHBondContact O-N 3Å; K727-D730 VanDerWaalsContact CB-OD2 3.26Å; K727-D730 WeakPolarHBondContact CB-OD2 3.41Å; K727-D730 PolarHBondContact N-OD2 3.05Å; K727-D730 PolarHBondContact O-N 3.29Å; K727-L731 WeakPolarHBondContact O-CG 3.41Å; K727-L731 PolarHBondContact O-N 3.42Å
728	V	82.8	Confident	80.7	Confident	50 Å²	50	71.2 Å²	71.2	30%	0.303	35%	0.348	S	S	.	.	H	α-helix	trans	-57.8	-41.1	-179	176.2	0	0	0	0	111.9	L731 R732 K746 L749	V728-L731 PolarHBondContact O-N 2.83Å; V728-R732 WeakPolarHBondContact O-CG 3.46Å; V728-R732 PolarHBondContact O-N 3.3Å; V728-K746 HydrophobicContact CG2-CB 3.96Å; V728-K746 HydrophobicContact CG2-CD 4.33Å; V728-K746 HydrophobicContact CG2-CG 3.89Å; V728-L749 HydrophobicContact CG1-CD1 4.12Å
729	N	82.8	Confident	81	Confident	118 Å²	118	74.2 Å²	74.2	63%	0.631	38%	0.377	S	S	*	.	H	α-helix	trans	-70.3	-35.6	-179.3	-66.2	4	0	0	0	112.2	K727 R732 R733	K727-N729 VanDerWaalsContact C-N 3.3Å; K727-N729 PolarHBondContact O-N 3Å; N729-R732 PolarHBondContact O-N 3.18Å; N729-R733 WeakPolarHBondContact O-CB 3.38Å; N729-R733 PolarHBondContact O-N 3.14Å
730	D	84.2	Confident	81.5	Confident	45 Å²	45	72.4 Å²	72.4	24%	0.241	36%	0.364	C	S	.	.	H	α-helix	trans	-68.1	-43	175.7	-52.5	-48.9	0	0	0	110.8	M726 K727 R732 R733 E734	M726-D730 HydrophobicContact CB-CB 4.38Å; M726-D730 HydrophobicContact CE-CB 3.89Å; K727-D730 VanDerWaalsContact CB-OD2 3.26Å; K727-D730 WeakPolarHBondContact CB-OD2 3.41Å; K727-D730 PolarHBondContact N-OD2 3.05Å; K727-D730 PolarHBondContact O-N 3.29Å; D730-R732 VanDerWaalsContact C-N 3.25Å; D730-R732 PolarHBondContact O-N 2.92Å; D730-R733 PolarHBondContact O-N 3.45Å; D730-R733 IonicContact OD1-CZ 3.98Å; D730-R733 IonicContact OD1-NH2 3.95Å; D730-R733 PolarHBondContact OD1-NH2 3.13Å; D730-E734 VanDerWaalsContact O-CB 3.28Å; D730-E734 WeakPolarHBondContact O-CB 3.49Å; D730-E734 PolarHBondContact O-N 3.13Å
731	L	84.4	Confident	82	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-31.7	172.8	-71.7	168.7	0	0	0	112.9	P723 M726 K727 V728 L735 K746 L749 I750 L753	P723-L731 HydrophobicContact CB-CD2 3.99Å; M726-L731 HydrophobicContact CB-CD2 3.93Å; M726-L731 HydrophobicContact CB-CG 3.83Å; M726-L731 HydrophobicContact CE-CD2 4.4Å; M726-L731 HydrophobicContact SD-CD2 4.02Å; K727-L731 WeakPolarHBondContact O-CG 3.41Å; K727-L731 PolarHBondContact O-N 3.42Å; V728-L731 PolarHBondContact O-N 2.83Å; L731-L735 WeakPolarHBondContact O-CB 3.25Å; L731-L735 VanDerWaalsContact O-CD1 3.28Å; L731-L735 WeakPolarHBondContact O-CD1 3.37Å; L731-L735 WeakPolarHBondContact O-CG 3.22Å; L731-L735 PolarHBondContact O-N 3.41Å; L731-K746 HydrophobicContact CD1-CD 4.37Å; L731-K746 HydrophobicContact CD1-CG 3.73Å; L731-L749 HydrophobicContact CB-CB 4.19Å; L731-I750 HydrophobicContact CD1-CD1 4.29Å; L731-I750 HydrophobicContact CD1-CG1 3.61Å; L731-I750 HydrophobicContact CD2-CG1 4.22Å; L731-L753 HydrophobicContact CD2-CD2 3.68Å
732	R	85.3	Confident	82.4	Confident	97 Å²	97	67.2 Å²	67.2	37%	0.366	35%	0.352	S	S	.	.	H	α-helix	trans	-71.2	-57.7	173.5	-73.8	-172.6	174.5	150.6	6.1	110.6	V728 N729 D730 E734 L735 D736 S742 L749	V728-R732 WeakPolarHBondContact O-CG 3.46Å; V728-R732 PolarHBondContact O-N 3.3Å; N729-R732 PolarHBondContact O-N 3.18Å; D730-R732 VanDerWaalsContact C-N 3.25Å; D730-R732 PolarHBondContact O-N 2.92Å; R732-E734 VanDerWaalsContact C-N 3.29Å; R732-E734 PolarHBondContact O-N 2.84Å; R732-L735 CarbonylContact O-C 3.54Å; R732-L735 WeakPolarHBondContact O-CA 3.33Å; R732-L735 WeakPolarHBondContact O-CB 3.36Å; R732-L735 PolarHBondContact O-N 3.47Å; R732-D736 VanDerWaalsContact C-OD2 3.25Å; R732-D736 VanDerWaalsContact O-CG 3.29Å; R732-D736 PolarHBondContact O-N 3.48Å; R732-S742 WeakPolarHBondContact CD-O 3.32Å; R732-S742 WeakPolarHBondContact CG-O 3.31Å; R732-S742 PolarHBondContact NE-O 3.23Å; R732-L749 HydrophobicContact CG-CD1 3.8Å
733	R	83.6	Confident	82.7	Confident	141 Å²	141	71.5 Å²	71.5	53%	0.532	37%	0.367	S	S	.	.	H	α-helix	trans	-49.1	-47.6	177.3	171.7	166.6	51.4	174.7	-4.4	112.4	N729 D730 L735 D736 C737	N729-R733 WeakPolarHBondContact O-CB 3.38Å; N729-R733 PolarHBondContact O-N 3.14Å; D730-R733 PolarHBondContact O-N 3.45Å; D730-R733 IonicContact OD1-CZ 3.98Å; D730-R733 IonicContact OD1-NH2 3.95Å; D730-R733 PolarHBondContact OD1-NH2 3.13Å; R733-L735 VanDerWaalsContact C-N 3.32Å; R733-L735 PolarHBondContact O-N 3.39Å; R733-D736 PolarHBondContact O-N 3.39Å; R733-C737 WeakPolarHBondContact O-CB 3.09Å; R733-C737 PolarHBondContact O-N 2.82Å; R733-C737 PolarHBondContact O-SG 2.69Å
734	E	85.6	Confident	83	Confident	16 Å²	16	72.4 Å²	72.4	8%	0.075	38%	0.377	C	S	.	.	H	α-helix	trans	-74.5	-19.3	-178.5	-161.5	66.2	-131.9	0	0	113.8	T716 L721 M726 D730 R732 R738 L753	T716-E734 VanDerWaalsContact CB-OE1 3.31Å; T716-E734 WeakPolarHBondContact CB-OE1 3.49Å; T716-E734 WeakPolarHBondContact CB-OE2 3.11Å; T716-E734 PolarHBondContact N-OE1 2.63Å; T716-E734 PolarHBondContact OG1-OE1 3.41Å; T716-E734 PolarHBondContact OG1-OE2 3.35Å; L721-E734 HydrophobicContact CD1-CG 3.64Å; L721-E734 HydrophobicContact CD2-CG 4Å; L721-E734 HydrophobicContact CG-CG 4.49Å; M726-E734 HydrophobicContact CE-CB 3.91Å; M726-E734 HydrophobicContact CE-CG 4.21Å; D730-E734 VanDerWaalsContact O-CB 3.28Å; D730-E734 WeakPolarHBondContact O-CB 3.49Å; D730-E734 PolarHBondContact O-N 3.13Å; R732-E734 VanDerWaalsContact C-N 3.29Å; R732-E734 PolarHBondContact O-N 2.84Å; E734-R738 IonicContact OE1-CZ 3.74Å; E734-R738 IonicContact OE1-NH1 2.79Å; E734-R738 PolarHBondContact OE1-NH1 2.96Å; E734-L753 HydrophobicContact CB-CD1 4.5Å; E734-L753 HydrophobicContact CB-CD2 4.17Å; E734-L753 HydrophobicContact CG-CD1 4.1Å; E734-L753 HydrophobicContact CG-CD2 4.11Å
735	L	86.3	Confident	83.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-79.9	-44.6	166.2	-77.1	169.7	0	0	0	111.1	L731 R732 R733 C737 R738 S739 L740 L749 R752 L753	L731-L735 WeakPolarHBondContact O-CB 3.25Å; L731-L735 VanDerWaalsContact O-CD1 3.28Å; L731-L735 WeakPolarHBondContact O-CD1 3.37Å; L731-L735 WeakPolarHBondContact O-CG 3.22Å; L731-L735 PolarHBondContact O-N 3.41Å; R732-L735 CarbonylContact O-C 3.54Å; R732-L735 WeakPolarHBondContact O-CA 3.33Å; R732-L735 WeakPolarHBondContact O-CB 3.36Å; R732-L735 PolarHBondContact O-N 3.47Å; R733-L735 VanDerWaalsContact C-N 3.32Å; R733-L735 PolarHBondContact O-N 3.39Å; L735-C737 PolarHBondContact O-N 3.23Å; L735-R738 CarbonylContact O-C 3.3Å; L735-R738 VanDerWaalsContact O-C 3.3Å; L735-R738 WeakPolarHBondContact O-CA 3.45Å; L735-R738 PolarHBondContact O-N 2.84Å; L735-S739 PolarHBondContact O-N 3.04Å; L735-S739 VanDerWaalsContact O-N 3.15Å; L735-L740 CarbonylContact C-O 3.46Å; L735-L740 HydrophobicContact CB-CB 4.18Å; L735-L740 HydrophobicContact CD2-CB 3.67Å; L735-L740 HydrophobicContact CD2-CD1 3.83Å; L735-L740 HydrophobicContact CD2-CG 4.43Å; L735-L740 PolarHBondContact O-N 3.12Å; L735-L749 HydrophobicContact CD1-CB 3.92Å; L735-L749 HydrophobicContact CD1-CD2 3.82Å; L735-L749 HydrophobicContact CD1-CG 4.43Å; L735-R752 HydrophobicContact CD1-CB 4.46Å; L735-R752 HydrophobicContact CD2-CB 3.92Å; L735-L753 HydrophobicContact CD2-CB 3.92Å; L735-L753 HydrophobicContact CD2-CD1 4.13Å; L735-L753 HydrophobicContact CG-CB 4.24Å; L735-L753 HydrophobicContact CG-CD1 4.42Å
736	D	80.3	Confident	83.7	Confident	82 Å²	82	70 Å²	70	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-40.4	179.7	-63.7	-50.1	0	0	0	110.6	R732 R733 R738 S739 S742	R732-D736 VanDerWaalsContact C-OD2 3.25Å; R732-D736 VanDerWaalsContact O-CG 3.29Å; R732-D736 PolarHBondContact O-N 3.48Å; R733-D736 PolarHBondContact O-N 3.39Å; D736-R738 PolarHBondContact O-N 2.75Å; D736-S739 PolarHBondContact O-N 2.9Å; D736-S742 WeakPolarHBondContact OD1-CB 3.48Å; D736-S742 PolarHBondContact OD1-OG 2.96Å; D736-S742 VanDerWaalsContact OD2-CB 3.28Å; D736-S742 WeakPolarHBondContact OD2-CB 3.41Å; D736-S742 PolarHBondContact OD2-OG 3.26Å
737	C	82.2	Confident	84	Confident	47 Å²	47	72.3 Å²	72.3	32%	0.318	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.8	171.2	-65	0	0	0	0	114.2	A715 R733 L735	A715-C737 HydrophobicContact CB-CB 4.21Å; R733-C737 WeakPolarHBondContact O-CB 3.09Å; R733-C737 PolarHBondContact O-N 2.82Å; R733-C737 PolarHBondContact O-SG 2.69Å; L735-C737 PolarHBondContact O-N 3.23Å
738	R	80.7	Confident	83.9	Confident	33 Å²	33	69.4 Å²	69.4	13%	0.125	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	13.1	171.2	-73.2	-177.6	164.6	76	4	112.3	A715 T716 E734 L735 D736 L740 E760	A715-R738 HydrophobicContact CB-CG 4.39Å; T716-R738 PolarHBondContact O-NH2 2.96Å; E734-R738 IonicContact OE1-CZ 3.74Å; E734-R738 IonicContact OE1-NH1 2.79Å; E734-R738 PolarHBondContact OE1-NH1 2.96Å; L735-R738 CarbonylContact O-C 3.3Å; L735-R738 VanDerWaalsContact O-C 3.3Å; L735-R738 WeakPolarHBondContact O-CA 3.45Å; L735-R738 PolarHBondContact O-N 2.84Å; D736-R738 PolarHBondContact O-N 2.75Å; R738-L740 HydrophobicContact CB-CD1 4.48Å; R738-L740 HydrophobicContact CB-CG 4.4Å; R738-L740 PolarHBondContact O-N 2.97Å; R738-E760 WeakPolarHBondContact CD-OE1 3.36Å; R738-E760 IonicContact CZ-OE1 3.25Å; R738-E760 IonicContact CZ-OE2 3.65Å; R738-E760 IonicContact NE-OE1 2.72Å; R738-E760 PolarHBondContact NE-OE1 3.42Å; R738-E760 IonicContact NE-OE2 3.66Å; R738-E760 PolarHBondContact NE-OE2 3.41Å; R738-E760 VanDerWaalsContact NE-OE2 3.17Å; R738-E760 IonicContact NH2-OE1 3.43Å; R738-E760 IonicContact NH2-OE2 2.7Å; R738-E760 PolarHBondContact NH2-OE2 2.76Å
739	S	81.3	Confident	84.2	Confident	119 Å²	119	67 Å²	67	83%	0.832	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	27.5	-176.4	-57.9	0	0	0	0	114.7	L735 D736	L735-S739 PolarHBondContact O-N 3.04Å; L735-S739 VanDerWaalsContact O-N 3.15Å; D736-S739 PolarHBondContact O-N 2.9Å
740	L	82.4	Confident	84.3	Confident	55 Å²	55	62.9 Å²	62.9	29%	0.288	33%	0.331	S	S	.	.			trans	-105.4	149.4	-179.9	-67.8	-178.8	0	0	0	112.6	L735 R738 S742 Q756	L735-L740 CarbonylContact C-O 3.46Å; L735-L740 HydrophobicContact CB-CB 4.18Å; L735-L740 HydrophobicContact CD2-CB 3.67Å; L735-L740 HydrophobicContact CD2-CD1 3.83Å; L735-L740 HydrophobicContact CD2-CG 4.43Å; L735-L740 PolarHBondContact O-N 3.12Å; R738-L740 HydrophobicContact CB-CD1 4.48Å; R738-L740 HydrophobicContact CB-CG 4.4Å; R738-L740 PolarHBondContact O-N 2.97Å; L740-S742 PolarHBondContact O-N 2.98Å; L740-S742 VanDerWaalsContact O-N 3.12Å; L740-Q756 HydrophobicContact CD1-CB 3.61Å; L740-Q756 HydrophobicContact CD1-CG 3.63Å
741	S	83	Confident	84.5	Confident	68 Å²	68	63.7 Å²	63.7	48%	0.476	34%	0.344	S	S	.	.			trans	-66.7	113.8	-172.9	-168.6	0	0	0	0	114.1	K743 R752	S741-K743 VanDerWaalsContact C-N 3.25Å; S741-K743 PolarHBondContact O-N 3.5Å; S741-R752 PolarHBondContact O-NH1 2.86Å
742	S	84.5	Confident	84.7	Confident	23 Å²	23	68 Å²	68	16%	0.161	36%	0.36	C	S	.	.			trans	-73.2	1	173	46.9	0	0	0	0	115.7	R732 D736 L740 L749	R732-S742 WeakPolarHBondContact CD-O 3.32Å; R732-S742 WeakPolarHBondContact CG-O 3.31Å; R732-S742 PolarHBondContact NE-O 3.23Å; D736-S742 WeakPolarHBondContact OD1-CB 3.48Å; D736-S742 PolarHBondContact OD1-OG 2.96Å; D736-S742 VanDerWaalsContact OD2-CB 3.28Å; D736-S742 WeakPolarHBondContact OD2-CB 3.41Å; D736-S742 PolarHBondContact OD2-OG 3.26Å; L740-S742 PolarHBondContact O-N 2.98Å; L740-S742 VanDerWaalsContact O-N 3.12Å; S742-L749 WeakPolarHBondContact O-CD2 3.46Å
743	K	85.5	Confident	84.7	Confident	166 Å²	166	63.3 Å²	63.3	72%	0.722	34%	0.343	S	S	*	.			trans	-91.5	116.6	-177.8	-66.1	179.7	-178.7	174.2	0	112.5	S741 R752	S741-K743 VanDerWaalsContact C-N 3.25Å; S741-K743 PolarHBondContact O-N 3.5Å; K743-R752 PolarHBondContact O-NH1 2.87Å; K743-R752 PolarHBondContact O-NH2 3.43Å
744	G	84.4	Confident	84.8	Confident	26 Å²	26	59.7 Å²	59.7	27%	0.268	34%	0.336	S	S	.	.	S	Bend	trans	159.2	178.9	177.1	0	0	0	0	0	114	Q748	G744-Q748 VanDerWaalsContact CA-OE1 3.28Å
745	L	87.6	Confident	85	Confident	124 Å²	124	66.4 Å²	66.4	65%	0.649	37%	0.365	S	S	*	.			trans	-71.4	158.2	166.9	-89.9	79.6	0	0	0	110.8	S747 Q748 L749	L745-S747 VanDerWaalsContact C-N 3.27Å; L745-S747 PolarHBondContact O-N 3.17Å; L745-S747 VanDerWaalsContact O-N 3.14Å; L745-Q748 VanDerWaalsContact N-OE1 3.09Å; L745-Q748 WeakPolarHBondContact O-CB 3.35Å; L745-Q748 PolarHBondContact O-N 3.4Å; L745-L749 PolarHBondContact O-N 3.19Å; L745-L749 VanDerWaalsContact O-N 3.17Å
746	K	84.8	Confident	84.9	Confident	76 Å²	76	69.1 Å²	69.1	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-47.9	-47.6	-178.9	-164.5	-168.4	-173.6	-161.8	0	112.3	K724 M726 V728 L731 Q748 L749 I750	K724-K746 PolarHBondContact O-NZ 3.09Å; M726-K746 WeakPolarHBondContact O-CE 3.32Å; M726-K746 PolarHBondContact O-NZ 2.86Å; V728-K746 HydrophobicContact CG2-CB 3.96Å; V728-K746 HydrophobicContact CG2-CD 4.33Å; V728-K746 HydrophobicContact CG2-CG 3.89Å; L731-K746 HydrophobicContact CD1-CD 4.37Å; L731-K746 HydrophobicContact CD1-CG 3.73Å; K746-Q748 VanDerWaalsContact C-N 3.3Å; K746-Q748 PolarHBondContact O-N 2.82Å; K746-L749 PolarHBondContact O-N 2.61Å; K746-L749 VanDerWaalsContact O-N 3.15Å; K746-I750 HydrophobicContact CD-CD1 4.05Å; K746-I750 HydrophobicContact CG-CD1 3.91Å; K746-I750 HydrophobicContact CG-CG1 4.3Å; K746-I750 VanDerWaalsContact O-CG1 3.26Å; K746-I750 WeakPolarHBondContact O-CG1 3.47Å; K746-I750 PolarHBondContact O-N 3.04Å
747	S	86.3	Confident	85.2	Confident	77 Å²	77	65.9 Å²	65.9	54%	0.538	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-34.6	179.3	49	0	0	0	0	114.1	L745 A751	L745-S747 VanDerWaalsContact C-N 3.27Å; L745-S747 PolarHBondContact O-N 3.17Å; L745-S747 VanDerWaalsContact O-N 3.14Å; S747-A751 WeakPolarHBondContact O-CB 3.5Å; S747-A751 PolarHBondContact O-N 3.4Å
748	Q	84.8	Confident	85.2	Confident	95 Å²	95	69 Å²	69	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-73.9	-37.4	176.5	-65	172.7	-26.7	0	0	111.8	G744 L745 K746 A751 R752	G744-Q748 VanDerWaalsContact CA-OE1 3.28Å; L745-Q748 VanDerWaalsContact N-OE1 3.09Å; L745-Q748 WeakPolarHBondContact O-CB 3.35Å; L745-Q748 PolarHBondContact O-N 3.4Å; K746-Q748 VanDerWaalsContact C-N 3.3Å; K746-Q748 PolarHBondContact O-N 2.82Å; Q748-A751 PolarHBondContact O-N 2.68Å; Q748-R752 WeakPolarHBondContact O-CG 3.36Å; Q748-R752 PolarHBondContact O-N 2.78Å; Q748-R752 VanDerWaalsContact O-N 3.09Å
749	L	88.3	Confident	85.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-67.2	-44.6	175.9	-56	179.9	0	0	0	110.9	V728 L731 R732 L735 S742 L745 K746 A751 R752 L753	V728-L749 HydrophobicContact CG1-CD1 4.12Å; L731-L749 HydrophobicContact CB-CB 4.19Å; R732-L749 HydrophobicContact CG-CD1 3.8Å; L735-L749 HydrophobicContact CD1-CB 3.92Å; L735-L749 HydrophobicContact CD1-CD2 3.82Å; L735-L749 HydrophobicContact CD1-CG 4.43Å; S742-L749 WeakPolarHBondContact O-CD2 3.46Å; L745-L749 PolarHBondContact O-N 3.19Å; L745-L749 VanDerWaalsContact O-N 3.17Å; K746-L749 PolarHBondContact O-N 2.61Å; K746-L749 VanDerWaalsContact O-N 3.15Å; L749-A751 PolarHBondContact O-N 3.48Å; L749-R752 PolarHBondContact O-N 3.48Å; L749-L753 PolarHBondContact O-N 3.45Å
750	I	85.5	Confident	85.2	Confident	31 Å²	31	67.1 Å²	67.1	16%	0.159	35%	0.353	C	S	.	.	H	α-helix	trans	-54	-52.6	171.5	-68.1	176.2	0	0	0	110.3	P723 L731 K746 R752 L753 T754	P723-I750 HydrophobicContact CB-CB 4.48Å; P723-I750 HydrophobicContact CB-CG1 4.47Å; P723-I750 HydrophobicContact CB-CG2 4.02Å; P723-I750 WeakPolarHBondContact O-CD1 3.47Å; P723-I750 VanDerWaalsContact O-CG1 3.28Å; P723-I750 WeakPolarHBondContact O-CG1 3.46Å; L731-I750 HydrophobicContact CD1-CD1 4.29Å; L731-I750 HydrophobicContact CD1-CG1 3.61Å; L731-I750 HydrophobicContact CD2-CG1 4.22Å; K746-I750 HydrophobicContact CD-CD1 4.05Å; K746-I750 HydrophobicContact CG-CD1 3.91Å; K746-I750 HydrophobicContact CG-CG1 4.3Å; K746-I750 VanDerWaalsContact O-CG1 3.26Å; K746-I750 WeakPolarHBondContact O-CG1 3.47Å; K746-I750 PolarHBondContact O-N 3.04Å; I750-R752 VanDerWaalsContact C-N 3.29Å; I750-R752 PolarHBondContact O-N 2.87Å; I750-L753 PolarHBondContact O-N 3.41Å; I750-T754 WeakPolarHBondContact O-CB 3.21Å; I750-T754 PolarHBondContact O-N 3.48Å; I750-T754 PolarHBondContact O-OG1 3.08Å; I750-T754 VanDerWaalsContact O-OG1 3.09Å
751	A	87.7	Confident	85.1	Confident	61 Å²	61	67.4 Å²	67.4	50%	0.504	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-34.8	-177.8	0	0	0	0	0	113.4	S747 Q748 L749 K755	S747-A751 WeakPolarHBondContact O-CB 3.5Å; S747-A751 PolarHBondContact O-N 3.4Å; Q748-A751 PolarHBondContact O-N 2.68Å; L749-A751 PolarHBondContact O-N 3.48Å; A751-K755 WeakPolarHBondContact O-CB 3.49Å; A751-K755 PolarHBondContact O-N 2.96Å
752	R	88.6	Confident	84.3	Confident	90 Å²	90	69.4 Å²	69.4	34%	0.34	35%	0.354	S	S	.	.	H	α-helix	trans	-70.6	-48.3	174	-70.1	177.3	-161.1	142.1	7	111.9	L735 S741 K743 Q748 L749 I750 K755 Q756	L735-R752 HydrophobicContact CD1-CB 4.46Å; L735-R752 HydrophobicContact CD2-CB 3.92Å; S741-R752 PolarHBondContact O-NH1 2.86Å; K743-R752 PolarHBondContact O-NH1 2.87Å; K743-R752 PolarHBondContact O-NH2 3.43Å; Q748-R752 WeakPolarHBondContact O-CG 3.36Å; Q748-R752 PolarHBondContact O-N 2.78Å; Q748-R752 VanDerWaalsContact O-N 3.09Å; L749-R752 PolarHBondContact O-N 3.48Å; I750-R752 VanDerWaalsContact C-N 3.29Å; I750-R752 PolarHBondContact O-N 2.87Å; R752-K755 PolarHBondContact O-N 3.29Å; R752-Q756 PolarHBondContact O-N 3.41Å; R752-Q756 VanDerWaalsContact O-N 3.08Å
753	L	85.9	Confident	83.8	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-47.3	-177.3	-172.2	60.7	0	0	0	110.7	P723 M726 L731 E734 L735 L749 I750 K755 Q756 L757	P723-L753 HydrophobicContact CB-CD2 4.35Å; P723-L753 HydrophobicContact CG-CB 4.35Å; P723-L753 HydrophobicContact CG-CD2 4.01Å; P723-L753 HydrophobicContact CG-CG 4.08Å; M726-L753 HydrophobicContact CE-CD2 4.24Å; M726-L753 HydrophobicContact SD-CD2 4.11Å; L731-L753 HydrophobicContact CD2-CD2 3.68Å; E734-L753 HydrophobicContact CB-CD1 4.5Å; E734-L753 HydrophobicContact CB-CD2 4.17Å; E734-L753 HydrophobicContact CG-CD1 4.1Å; E734-L753 HydrophobicContact CG-CD2 4.11Å; L735-L753 HydrophobicContact CD2-CB 3.92Å; L735-L753 HydrophobicContact CD2-CD1 4.13Å; L735-L753 HydrophobicContact CG-CB 4.24Å; L735-L753 HydrophobicContact CG-CD1 4.42Å; L749-L753 PolarHBondContact O-N 3.45Å; I750-L753 PolarHBondContact O-N 3.41Å; L753-K755 VanDerWaalsContact C-N 3.26Å; L753-K755 PolarHBondContact O-N 3.13Å; L753-Q756 PolarHBondContact O-N 3.22Å; L753-Q756 VanDerWaalsContact O-N 3.07Å; L753-L757 HydrophobicContact CD1-CG 4.36Å; L753-L757 HydrophobicContact CG-CD1 3.95Å; L753-L757 HydrophobicContact CG-CG 4.28Å; L753-L757 VanDerWaalsContact O-CG 3.23Å; L753-L757 WeakPolarHBondContact O-CG 3.32Å; L753-L757 PolarHBondContact O-N 3.41Å
754	T	85.3	Confident	82.6	Confident	65 Å²	65	69.2 Å²	69.2	40%	0.399	36%	0.359	S	S	.	.	H	α-helix	trans	-58	-35.5	174.2	-57.8	0	0	0	0	112.8	P723 I750 K758	P723-T754 WeakPolarHBondContact CG-OG1 3.32Å; I750-T754 WeakPolarHBondContact O-CB 3.21Å; I750-T754 PolarHBondContact O-N 3.48Å; I750-T754 PolarHBondContact O-OG1 3.08Å; I750-T754 VanDerWaalsContact O-OG1 3.09Å; T754-K758 WeakPolarHBondContact O-CB 3.44Å; T754-K758 PolarHBondContact O-N 3Å
755	K	88.9	Confident	81.4	Confident	157 Å²	157	76 Å²	76	68%	0.683	38%	0.384	S	S	*	.	H	α-helix	trans	-65.6	-42.6	175.2	-170.3	-172.3	176.9	-166.6	0	111.5	A751 R752 L753 K758 V759	A751-K755 WeakPolarHBondContact O-CB 3.49Å; A751-K755 PolarHBondContact O-N 2.96Å; R752-K755 PolarHBondContact O-N 3.29Å; L753-K755 VanDerWaalsContact C-N 3.26Å; L753-K755 PolarHBondContact O-N 3.13Å; K755-K758 PolarHBondContact O-N 3.43Å; K755-V759 PolarHBondContact O-N 3.47Å
756	Q	85.8	Confident	79.9	Confident	57 Å²	57	74.7 Å²	74.7	27%	0.266	39%	0.385	S	S	.	.	H	α-helix	trans	-71.2	-44.3	-177.9	-175.9	57.3	31.6	0	0	112.4	L740 R752 L753 K758 V759 E760	L740-Q756 HydrophobicContact CD1-CB 3.61Å; L740-Q756 HydrophobicContact CD1-CG 3.63Å; R752-Q756 PolarHBondContact O-N 3.41Å; R752-Q756 VanDerWaalsContact O-N 3.08Å; L753-Q756 PolarHBondContact O-N 3.22Å; L753-Q756 VanDerWaalsContact O-N 3.07Å; Q756-K758 PolarHBondContact O-N 2.81Å; Q756-V759 WeakPolarHBondContact O-CA 3.4Å; Q756-V759 WeakPolarHBondContact O-CB 3.26Å; Q756-V759 PolarHBondContact O-N 2.94Å; Q756-E760 WeakPolarHBondContact CG-OE1 3.36Å; Q756-E760 PolarHBondContact NE2-OE1 2.66Å; Q756-E760 PolarHBondContact O-N 3.15Å; Q756-E760 VanDerWaalsContact O-N 3.08Å
757	L	86.3	Confident	78.6	Confident	14 Å²	14	79.4 Å²	79.4	7%	0.073	41%	0.406	C	S	.	.	H	α-helix	trans	-55.3	-38.4	174.1	-64.7	168.5	0	0	0	111.8	W718 L721 P723 L753 V759 E760 E761	W718-L757 HydrophobicContact CB-CB 4.27Å; W718-L757 HydrophobicContact CB-CD2 3.57Å; L721-L757 HydrophobicContact CB-CD1 4.13Å; L721-L757 HydrophobicContact CB-CD2 4.32Å; L721-L757 HydrophobicContact CD1-CD2 3.58Å; P723-L757 HydrophobicContact CG-CD1 3.53Å; L753-L757 HydrophobicContact CD1-CG 4.36Å; L753-L757 HydrophobicContact CG-CD1 3.95Å; L753-L757 HydrophobicContact CG-CG 4.28Å; L753-L757 VanDerWaalsContact O-CG 3.23Å; L753-L757 WeakPolarHBondContact O-CG 3.32Å; L753-L757 PolarHBondContact O-N 3.41Å; L757-V759 VanDerWaalsContact C-N 3.31Å; L757-V759 PolarHBondContact O-N 2.72Å; L757-E760 PolarHBondContact O-N 2.89Å; L757-E761 WeakPolarHBondContact O-CB 3.48Å; L757-E761 PolarHBondContact O-N 3.3Å
758	K	81.6	Confident	76.3	Confident	113 Å²	113	84.7 Å²	84.7	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-74.5	-17.1	177.1	-171.7	153.3	-163.6	73.3	0	113.9	T754 K755 Q756 E761 Q762	T754-K758 WeakPolarHBondContact O-CB 3.44Å; T754-K758 PolarHBondContact O-N 3Å; K755-K758 PolarHBondContact O-N 3.43Å; Q756-K758 PolarHBondContact O-N 2.81Å; K758-E761 WeakPolarHBondContact CG-OE2 3.33Å; K758-E761 IonicContact NZ-OE2 2.7Å; K758-E761 PolarHBondContact NZ-OE2 2.81Å; K758-Q762 PolarHBondContact O-NE2 2.84Å
759	V	82.4	Confident	74.5	Confident	65 Å²	65	85.7 Å²	85.7	39%	0.394	44%	0.436	S	S	.	.	H	α-helix	trans	-79.5	-42.4	169.1	173.1	0	0	0	0	110	K755 Q756 L757 Q762 V763	K755-V759 PolarHBondContact O-N 3.47Å; Q756-V759 WeakPolarHBondContact O-CA 3.4Å; Q756-V759 WeakPolarHBondContact O-CB 3.26Å; Q756-V759 PolarHBondContact O-N 2.94Å; L757-V759 VanDerWaalsContact C-N 3.31Å; L757-V759 PolarHBondContact O-N 2.72Å; V759-Q762 PolarHBondContact O-N 2.85Å; V759-V763 HydrophobicContact CG1-CG2 4.46Å; V759-V763 VanDerWaalsContact O-CG2 3.31Å; V759-V763 WeakPolarHBondContact O-CG2 3.39Å; V759-V763 PolarHBondContact O-N 3.29Å; V759-V763 VanDerWaalsContact O-N 3.08Å
760	E	80	Confident	71.9	Confident	47 Å²	47	95.1 Å²	95.1	22%	0.22	48%	0.48	C	S	.	.	H	α-helix	trans	-60.2	-45	174.6	-72.3	157.9	-148.2	0	0	111.6	W718 R738 Q756 L757 Q762 V763 E764	W718-E760 HydrophobicContact CB-CB 4.33Å; W718-E760 HydrophobicContact CG-CB 4.3Å; R738-E760 WeakPolarHBondContact CD-OE1 3.36Å; R738-E760 IonicContact CZ-OE1 3.25Å; R738-E760 IonicContact CZ-OE2 3.65Å; R738-E760 IonicContact NE-OE1 2.72Å; R738-E760 PolarHBondContact NE-OE1 3.42Å; R738-E760 IonicContact NE-OE2 3.66Å; R738-E760 PolarHBondContact NE-OE2 3.41Å; R738-E760 VanDerWaalsContact NE-OE2 3.17Å; R738-E760 IonicContact NH2-OE1 3.43Å; R738-E760 IonicContact NH2-OE2 2.7Å; R738-E760 PolarHBondContact NH2-OE2 2.76Å; Q756-E760 WeakPolarHBondContact CG-OE1 3.36Å; Q756-E760 PolarHBondContact NE2-OE1 2.66Å; Q756-E760 PolarHBondContact O-N 3.15Å; Q756-E760 VanDerWaalsContact O-N 3.08Å; L757-E760 PolarHBondContact O-N 2.89Å; E760-Q762 PolarHBondContact O-N 3.44Å; E760-V763 PolarHBondContact O-N 3.03Å; E760-E764 PolarHBondContact O-N 2.72Å
761	E	79.3	Confident	69.4	Low	61 Å²	61	103.3 Å²	103.3	29%	0.285	52%	0.515	S	S	.	.	H	α-helix	trans	-50.1	-48.4	172	-178.3	179.9	-125	0	0	112.6	W718 L757 K758 V763 E765	W718-E761 HydrophobicContact CD2-CB 4.25Å; W718-E761 HydrophobicContact CE3-CB 4.13Å; W718-E761 HydrophobicContact CE3-CG 4.37Å; W718-E761 HydrophobicContact CH2-CB 4.28Å; W718-E761 HydrophobicContact CH2-CG 3.87Å; W718-E761 HydrophobicContact CZ2-CB 4.4Å; W718-E761 HydrophobicContact CZ2-CG 4.35Å; W718-E761 HydrophobicContact CZ3-CB 4.14Å; W718-E761 HydrophobicContact CZ3-CG 3.87Å; L757-E761 WeakPolarHBondContact O-CB 3.48Å; L757-E761 PolarHBondContact O-N 3.3Å; K758-E761 WeakPolarHBondContact CG-OE2 3.33Å; K758-E761 IonicContact NZ-OE2 2.7Å; K758-E761 PolarHBondContact NZ-OE2 2.81Å; E761-V763 PolarHBondContact O-N 3.14Å; E761-E765 WeakPolarHBondContact O-CB 3.44Å; E761-E765 PolarHBondContact O-N 3.35Å
762	Q	67.9	Low	67.2	Low	109 Å²	109	106.3 Å²	106.3	51%	0.509	53%	0.529	S	S	.	.	H	α-helix	trans	-73	-22.3	179	-77.5	167.6	91.2	0	0	114	K758 V759 E760 S766	K758-Q762 PolarHBondContact O-NE2 2.84Å; V759-Q762 PolarHBondContact O-N 2.85Å; E760-Q762 PolarHBondContact O-N 3.44Å; Q762-S766 PolarHBondContact O-N 3.37Å; Q762-S766 PolarHBondContact O-OG 3.36Å
763	V	72.4	Confident	64.2	Low	88 Å²	88	111.3 Å²	111.3	53%	0.533	56%	0.556	S	S	.	*	H	α-helix	trans	-84.1	-25.8	178.5	169.8	0	0	0	0	111.9	V759 E760 E761 S766	V759-V763 HydrophobicContact CG1-CG2 4.46Å; V759-V763 VanDerWaalsContact O-CG2 3.31Å; V759-V763 WeakPolarHBondContact O-CG2 3.39Å; V759-V763 PolarHBondContact O-N 3.29Å; V759-V763 VanDerWaalsContact O-N 3.08Å; E760-V763 PolarHBondContact O-N 3.03Å; E761-V763 PolarHBondContact O-N 3.14Å; V763-S766 PolarHBondContact O-OG 3.15Å
764	E	61.8	Low	61.9	Low	98 Å²	98	117.1 Å²	117.1	46%	0.458	59%	0.592	S	S	.	*	H	α-helix	trans	-80.2	-41.9	166.3	-73.5	-160.1	122.2	0	0	112.7	H717 W718 E760 S766 K767	H717-E764 IonicContact CE1-OE2 3.35Å; H717-E764 PolarHBondContact CE1-OE2 2.64Å; H717-E764 VanDerWaalsContact CE1-OE2 3.25Å; H717-E764 IonicContact NE2-OE1 3.66Å; H717-E764 IonicContact NE2-OE2 3.58Å; H717-E764 PolarHBondContact NE2-OE2 2.81Å; W718-E764 PolarHBondContact NE1-OE2 3.37Å; E760-E764 PolarHBondContact O-N 2.72Å; E764-S766 PolarHBondContact O-N 2.8Å; E764-K767 PolarHBondContact O-N 3.03Å
765	E	57.5	Low	59.2	Low	168 Å²	168	123.1 Å²	123.1	79%	0.785	61%	0.612	S	S	*	*	H	α-helix	trans	-61.1	-20	179.8	-170.2	173.7	-140.7	0	0	112.9	E761	E761-E765 WeakPolarHBondContact O-CB 3.44Å; E761-E765 PolarHBondContact O-N 3.35Å
766	S	57	Low	56.8	Low	96 Å²	96	122.5 Å²	122.5	67%	0.671	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	13.9	174.1	48	0	0	0	0	114.4	Q762 V763 E764	Q762-S766 PolarHBondContact O-N 3.37Å; Q762-S766 PolarHBondContact O-OG 3.36Å; V763-S766 PolarHBondContact O-OG 3.15Å; E764-S766 PolarHBondContact O-N 2.8Å
767	K	57.8	Low	54.2	Low	176 Å²	176	124.3 Å²	124.3	77%	0.765	65%	0.646	S	S	*	*			trans	-144.4	38.2	-167.2	-146	175	-175.9	178.3	0	117.3	E764	E764-K767 PolarHBondContact O-N 3.03Å
768	E	37.7	Very low	52.2	Low	187 Å²	187	133 Å²	133	87%	0.874	69%	0.686	S	S	*	*			trans	-103.7	154.9	159.7	-81.2	-152.5	123.7	0	0	112.8
769	P	47.1	Very low	49.8	Very low	116 Å²	116	136.9 Å²	136.9	75%	0.753	71%	0.706	S	S	*	*			trans	-119.2	141.1	-157.2	37.8	-24	0	0	0	116.2
770	E	33	Very low	47.9	Very low	198 Å²	198	142.8 Å²	142.8	93%	0.925	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-85.2	162.5	158.8	-72	-154.5	125	0	0	112.3
771	K	32.9	Very low	45.7	Very low	204 Å²	204	147 Å²	147	89%	0.887	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-96.7	157.9	-168.8	-89.5	178.8	176.6	173.9	0	114
772	P	42	Very low	44.3	Very low	124 Å²	124	149.1 Å²	149.1	81%	0.805	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-90.7	154.4	-163.9	35.5	-37.1	0	0	0	114.7
773	E	26.6	Very low	43.2	Very low	194 Å²	194	150 Å²	150	91%	0.907	78%	0.783	S	S	*	*			trans	-140.7	175	150.1	-136.9	176.1	-146.9	0	0	110.6
774	V	35.8	Very low	41.9	Very low	123 Å²	123	151.1 Å²	151.1	75%	0.745	78%	0.778	S	S	*	*			trans	-111.7	128.7	-143.5	-163.9	0	0	0	0	114.7
775	K	30.2	Very low	41.8	Very low	190 Å²	190	149.7 Å²	149.7	83%	0.826	78%	0.776	S	S	*	*				167.3	129.3	124.4	-90.7	155.5	-171.1	168.6	0	115.7
776	V	38.4	Very low	41.6	Very low	145 Å²	145	149.7 Å²	149.7	88%	0.879	78%	0.776	S	S	*	*			trans	29.2	108.3	141	-168.9	0	0	0	0	118.9
777	A	30.5	Very low	41.5	Very low	94 Å²	94	151 Å²	151	78%	0.777	78%	0.776	S	S	*	*			trans	-149.4	162.6	146.1	0	0	0	0	0	109.3
778	E	43.9	Very low	41.8	Very low	197 Å²	197	146.6 Å²	146.6	92%	0.921	76%	0.76	S	S	*	*			trans	-81.7	134.1	167.1	-62.3	165.5	113.8	0	0	109.1
779	E	32.3	Very low	43.1	Very low	194 Å²	194	142.4 Å²	142.4	91%	0.907	74%	0.739	S	S	*	*			trans	-137.8	154.2	163.5	-75.2	-162.2	135.1	0	0	110.7
780	E	41.3	Very low	44.2	Very low	190 Å²	190	143.6 Å²	143.6	89%	0.888	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-78.3	156.2	-169.6	-60.6	173.4	100.9	0	0	113
781	E	34.7	Very low	46.1	Very low	135 Å²	135	138.6 Å²	138.6	63%	0.631	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-62.4	139.6	162.3	-87.6	-164.7	-176.9	0	0	109.7	R784	E781-R784 IonicContact OE1-NH2 3.85Å; E781-R784 PolarHBondContact OE1-NH2 3.09Å; E781-R784 IonicContact OE2-CZ 2.72Å; E781-R784 IonicContact OE2-NE 2.88Å; E781-R784 PolarHBondContact OE2-NE 2.82Å; E781-R784 IonicContact OE2-NH2 3.88Å; E781-R784 PolarHBondContact OE2-NH2 3.39Å
782	P	48.6	Very low	47.9	Very low	105 Å²	105	132.1 Å²	132.1	68%	0.682	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-62.9	154.2	172.8	28.5	-35.1	0	0	0	110.9	R784	P782-R784 PolarHBondContact O-N 3.03Å
783	P	45.7	Very low	49.3	Very low	128 Å²	128	132.8 Å²	132.8	83%	0.831	68%	0.682	S	S	*	*			trans	-66.9	104.4	-176.4	27.4	-34.6	0	0	0	110.7
784	R	46.1	Very low	51.6	Low	111 Å²	111	129.5 Å²	129.5	42%	0.419	67%	0.665	S	S	.	*			trans	-46.2	143.8	166.5	-58.5	-176.1	-170.4	-154.7	-3.8	109.3	E781 P782 D788 K789 D792	E781-R784 IonicContact OE1-NH2 3.85Å; E781-R784 PolarHBondContact OE1-NH2 3.09Å; E781-R784 IonicContact OE2-CZ 2.72Å; E781-R784 IonicContact OE2-NE 2.88Å; E781-R784 PolarHBondContact OE2-NE 2.82Å; E781-R784 IonicContact OE2-NH2 3.88Å; E781-R784 PolarHBondContact OE2-NH2 3.39Å; P782-R784 PolarHBondContact O-N 3.03Å; R784-D788 HydrophobicContact CB-CB 4.06Å; R784-K789 HydrophobicContact CB-CG 4.48Å; R784-K789 PolarHBondContact O-NZ 2.69Å; R784-D792 IonicContact CZ-OD2 3.17Å; R784-D792 IonicContact NH1-OD2 2.79Å; R784-D792 PolarHBondContact NH1-OD2 3.11Å
785	T	59.3	Low	53.5	Low	69 Å²	69	130.5 Å²	130.5	42%	0.423	66%	0.659	S	S	.	*			trans	-66.9	178	179	66.1	0	0	0	0	111.1	D788 K789	T785-D788 VanDerWaalsContact CB-OD2 3.31Å; T785-D788 WeakPolarHBondContact CB-OD2 3.37Å; T785-D788 WeakPolarHBondContact CG2-OD2 3.34Å; T785-D788 PolarHBondContact N-OD2 3.09Å; T785-D788 PolarHBondContact OG1-N 3.03Å; T785-D788 VanDerWaalsContact OG1-N 3.11Å; T785-D788 PolarHBondContact OG1-OD2 3.42Å; T785-K789 WeakPolarHBondContact O-CG 3.5Å; T785-K789 PolarHBondContact O-NZ 2.95Å
786	E	53.2	Low	55.8	Low	167 Å²	167	128.4 Å²	128.4	78%	0.78	65%	0.65	S	S	*	*	H	α-helix	trans	-76.3	-33.2	173.5	-62.8	-168.3	143.5	0	0	110.7	K789 E790	E786-K789 PolarHBondContact O-N 3.28Å; E786-E790 PolarHBondContact O-N 3.26Å
787	D	53.6	Low	57.4	Low	124 Å²	124	126 Å²	126	66%	0.663	63%	0.629	S	S	*	*	H	α-helix	trans	-64.1	-46.1	174.3	-51.6	-55.8	0	0	0	111.8	K789 E790 D791	D787-K789 PolarHBondContact O-N 2.94Å; D787-E790 PolarHBondContact O-N 2.91Å; D787-E790 VanDerWaalsContact O-N 3.14Å; D787-D791 PolarHBondContact O-N 3.38Å
788	D	65.1	Low	59.6	Low	83 Å²	83	127.2 Å²	127.2	44%	0.444	62%	0.619	S	S	.	*	H	α-helix	trans	-55.1	-35.6	174.8	-65.5	-52.2	0	0	0	112	R784 T785 D792	R784-D788 HydrophobicContact CB-CB 4.06Å; T785-D788 VanDerWaalsContact CB-OD2 3.31Å; T785-D788 WeakPolarHBondContact CB-OD2 3.37Å; T785-D788 WeakPolarHBondContact CG2-OD2 3.34Å; T785-D788 PolarHBondContact N-OD2 3.09Å; T785-D788 PolarHBondContact OG1-N 3.03Å; T785-D788 VanDerWaalsContact OG1-N 3.11Å; T785-D788 PolarHBondContact OG1-OD2 3.42Å; D788-D792 VanDerWaalsContact O-CB 3.32Å; D788-D792 WeakPolarHBondContact O-CB 3.23Å; D788-D792 PolarHBondContact O-N 3.06Å
789	K	65.6	Low	61.3	Low	99 Å²	99	121.2 Å²	121.2	43%	0.43	59%	0.59	S	S	.	*	H	α-helix	trans	-77.3	-38	180	-68.7	-179.8	-163.7	89.6	0	112.1	R784 T785 E786 D787 D792 E793	R784-K789 HydrophobicContact CB-CG 4.48Å; R784-K789 PolarHBondContact O-NZ 2.69Å; T785-K789 WeakPolarHBondContact O-CG 3.5Å; T785-K789 PolarHBondContact O-NZ 2.95Å; E786-K789 PolarHBondContact O-N 3.28Å; D787-K789 PolarHBondContact O-N 2.94Å; K789-D792 PolarHBondContact O-N 2.93Å; K789-E793 WeakPolarHBondContact O-CB 3.43Å; K789-E793 WeakPolarHBondContact O-CG 3.22Å; K789-E793 PolarHBondContact O-N 2.72Å
790	E	70.4	Confident	63.5	Low	142 Å²	142	116.6 Å²	116.6	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-66.1	-40.6	176.3	-169.4	169.5	161.1	0	0	110.7	E786 D787 E793 K794	E786-E790 PolarHBondContact O-N 3.26Å; D787-E790 PolarHBondContact O-N 2.91Å; D787-E790 VanDerWaalsContact O-N 3.14Å; E790-E793 PolarHBondContact O-N 2.99Å; E790-K794 WeakPolarHBondContact O-CB 3.34Å; E790-K794 PolarHBondContact O-N 2.9Å
791	D	71.6	Confident	65.2	Low	92 Å²	92	111 Å²	111	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-71.4	-37.1	173.4	-91.4	-27.9	0	0	0	113	D787 K794 K795	D787-D791 PolarHBondContact O-N 3.38Å; D791-K794 PolarHBondContact O-N 3.09Å; D791-K794 IonicContact OD1-NZ 3.08Å; D791-K794 PolarHBondContact OD1-NZ 3.12Å; D791-K795 WeakPolarHBondContact O-CB 3.33Å; D791-K795 PolarHBondContact O-N 3.32Å
792	D	70.6	Confident	67.2	Low	68 Å²	68	107.2 Å²	107.2	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-61.4	-42.2	170.5	-96.9	-22.6	0	0	0	111.7	R784 D788 K789 K796	R784-D792 IonicContact CZ-OD2 3.17Å; R784-D792 IonicContact NH1-OD2 2.79Å; R784-D792 PolarHBondContact NH1-OD2 3.11Å; D788-D792 VanDerWaalsContact O-CB 3.32Å; D788-D792 WeakPolarHBondContact O-CB 3.23Å; D788-D792 PolarHBondContact O-N 3.06Å; K789-D792 PolarHBondContact O-N 2.93Å; D792-K796 WeakPolarHBondContact O-CB 3.42Å; D792-K796 PolarHBondContact O-N 3.14Å
793	E	72.9	Confident	68.5	Low	138 Å²	138	105.2 Å²	105.2	65%	0.645	51%	0.507	S	S	*	.	H	α-helix	trans	-70.2	-40.2	177.1	-74.9	-156.5	151.1	0	0	112.6	K789 E790 K796 Q797	K789-E793 WeakPolarHBondContact O-CB 3.43Å; K789-E793 WeakPolarHBondContact O-CG 3.22Å; K789-E793 PolarHBondContact O-N 2.72Å; E790-E793 PolarHBondContact O-N 2.99Å; E793-K796 PolarHBondContact O-N 3.32Å; E793-Q797 WeakPolarHBondContact O-CB 3.49Å; E793-Q797 PolarHBondContact O-N 3.39Å
794	K	74.1	Confident	70.1	Confident	126 Å²	126	107.2 Å²	107.2	55%	0.548	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-46.8	175.1	174.9	175.9	145.4	-142.9	0	111.6	E790 D791 K796 Q797 E798	E790-K794 WeakPolarHBondContact O-CB 3.34Å; E790-K794 PolarHBondContact O-N 2.9Å; D791-K794 PolarHBondContact O-N 3.09Å; D791-K794 IonicContact OD1-NZ 3.08Å; D791-K794 PolarHBondContact OD1-NZ 3.12Å; K794-K796 VanDerWaalsContact C-N 3.3Å; K794-K796 PolarHBondContact O-N 2.93Å; K794-Q797 PolarHBondContact O-N 3.38Å; K794-E798 WeakPolarHBondContact O-CB 3.43Å; K794-E798 PolarHBondContact O-N 3.41Å
795	K	75.8	Confident	71.5	Confident	144 Å²	144	104.6 Å²	104.6	63%	0.626	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-35.4	174.3	-175.6	176.5	-176.2	175.5	0	112.4	D791 E799	D791-K795 WeakPolarHBondContact O-CB 3.33Å; D791-K795 PolarHBondContact O-N 3.32Å; K795-E799 VanDerWaalsContact O-CB 3.3Å; K795-E799 WeakPolarHBondContact O-CB 3.43Å; K795-E799 PolarHBondContact O-N 3.17Å
796	K	79.2	Confident	72.5	Confident	146 Å²	146	103.8 Å²	103.8	64%	0.635	48%	0.479	S	S	*	.	H	α-helix	trans	-71.3	-35.3	173.7	178.8	-178.1	175.8	-172.4	0	112.7	D792 E793 K794 L800	D792-K796 WeakPolarHBondContact O-CB 3.42Å; D792-K796 PolarHBondContact O-N 3.14Å; E793-K796 PolarHBondContact O-N 3.32Å; K794-K796 VanDerWaalsContact C-N 3.3Å; K794-K796 PolarHBondContact O-N 2.93Å; K796-L800 VanDerWaalsContact O-CB 3.27Å; K796-L800 WeakPolarHBondContact O-CB 3.26Å; K796-L800 PolarHBondContact O-N 2.88Å
797	Q	70.4	Confident	73.8	Confident	95 Å²	95	103.6 Å²	103.6	44%	0.444	47%	0.472	S	S	.	.	H	α-helix	trans	-69.1	-40	171.8	174.9	60.9	24.1	0	0	111.1	E793 K794 L800 E801	E793-Q797 WeakPolarHBondContact O-CB 3.49Å; E793-Q797 PolarHBondContact O-N 3.39Å; K794-Q797 PolarHBondContact O-N 3.38Å; Q797-L800 PolarHBondContact O-N 3.13Å; Q797-E801 PolarHBondContact NE2-OE1 3.18Å; Q797-E801 VanDerWaalsContact NE2-OE1 3.11Å; Q797-E801 PolarHBondContact O-N 3.11Å
798	E	78.3	Confident	75.1	Confident	119 Å²	119	99.7 Å²	99.7	56%	0.556	45%	0.447	S	S	*	.	H	α-helix	trans	-63.3	-46.9	173.8	-169.5	-168.5	130.6	0	0	111.5	K794 L800 E801 R802	K794-E798 WeakPolarHBondContact O-CB 3.43Å; K794-E798 PolarHBondContact O-N 3.41Å; E798-L800 VanDerWaalsContact C-N 3.35Å; E798-L800 PolarHBondContact O-N 3.2Å; E798-E801 CarbonylContact O-C 3.58Å; E798-E801 PolarHBondContact O-N 3.15Å; E798-R802 WeakPolarHBondContact O-CB 3.35Å; E798-R802 PolarHBondContact O-N 2.88Å
799	E	79.6	Confident	76	Confident	70 Å²	70	96.3 Å²	96.3	33%	0.327	43%	0.428	S	S	.	.	H	α-helix	trans	-59.4	-42.2	172.3	175.6	65.4	-137	0	0	111.8	K795 R802 Q803	K795-E799 VanDerWaalsContact O-CB 3.3Å; K795-E799 WeakPolarHBondContact O-CB 3.43Å; K795-E799 PolarHBondContact O-N 3.17Å; E799-R802 VanDerWaalsContact CD-NH2 3.35Å; E799-R802 PolarHBondContact O-N 3.46Å; E799-R802 IonicContact OE1-CZ 3.98Å; E799-R802 IonicContact OE1-NH1 3.34Å; E799-R802 IonicContact OE1-NH2 3.89Å; E799-R802 PolarHBondContact OE1-NH2 3.35Å; E799-R802 IonicContact OE2-CZ 3.98Å; E799-R802 VanDerWaalsContact OE2-CZ 3.32Å; E799-R802 IonicContact OE2-NH1 3.15Å; E799-R802 PolarHBondContact OE2-NH1 3.04Å; E799-R802 IonicContact OE2-NH2 2.81Å; E799-R802 PolarHBondContact OE2-NH2 3.22Å; E799-Q803 WeakPolarHBondContact O-CB 3.19Å; E799-Q803 WeakPolarHBondContact O-CG 3.48Å; E799-Q803 PolarHBondContact O-N 2.83Å; E799-Q803 PolarHBondContact OE1-NE2 3.19Å
800	L	78.2	Confident	76.8	Confident	98 Å²	98	96.8 Å²	96.8	51%	0.513	44%	0.435	S	S	.	.	H	α-helix	trans	-64.1	-40.8	175.6	-173.1	73.7	0	0	0	111.5	K796 Q797 E798 R804	K796-L800 VanDerWaalsContact O-CB 3.27Å; K796-L800 WeakPolarHBondContact O-CB 3.26Å; K796-L800 PolarHBondContact O-N 2.88Å; Q797-L800 PolarHBondContact O-N 3.13Å; E798-L800 VanDerWaalsContact C-N 3.35Å; E798-L800 PolarHBondContact O-N 3.2Å; L800-R804 VanDerWaalsContact O-CB 3.31Å; L800-R804 WeakPolarHBondContact O-CB 3.38Å; L800-R804 PolarHBondContact O-N 3.25Å
801	E	76.6	Confident	77.5	Confident	73 Å²	73	91 Å²	91	34%	0.341	41%	0.408	S	S	.	.	H	α-helix	trans	-67.7	-40.4	173.6	-78.8	-164.7	-162.1	0	0	112.3	Q797 E798 R804 R805	Q797-E801 PolarHBondContact NE2-OE1 3.18Å; Q797-E801 VanDerWaalsContact NE2-OE1 3.11Å; Q797-E801 PolarHBondContact O-N 3.11Å; E798-E801 CarbonylContact O-C 3.58Å; E798-E801 PolarHBondContact O-N 3.15Å; E801-R804 CarbonylContact O-C 3.58Å; E801-R804 WeakPolarHBondContact O-CA 3.44Å; E801-R804 WeakPolarHBondContact O-CB 3.21Å; E801-R804 PolarHBondContact O-N 2.86Å; E801-R805 WeakPolarHBondContact O-CG 3.37Å; E801-R805 PolarHBondContact O-N 3.37Å; E801-R805 IonicContact OE2-CZ 3.7Å; E801-R805 IonicContact OE2-NH2 2.63Å; E801-R805 PolarHBondContact OE2-NH2 2.96Å
802	R	77	Confident	78.2	Confident	55 Å²	55	89 Å²	89	21%	0.208	40%	0.4	C	S	.	.	H	α-helix	trans	-62.6	-47.7	176	-153.9	-168.9	72.5	-109.5	-20.1	110.8	L688 E798 E799 R804 R805 E806	L688-R802 HydrophobicContact CD1-CG 4.3Å; L688-R802 HydrophobicContact CD2-CG 3.45Å; L688-R802 VanDerWaalsContact CD2-CG 3.45Å; E798-R802 WeakPolarHBondContact O-CB 3.35Å; E798-R802 PolarHBondContact O-N 2.88Å; E799-R802 VanDerWaalsContact CD-NH2 3.35Å; E799-R802 PolarHBondContact O-N 3.46Å; E799-R802 IonicContact OE1-CZ 3.98Å; E799-R802 IonicContact OE1-NH1 3.34Å; E799-R802 IonicContact OE1-NH2 3.89Å; E799-R802 PolarHBondContact OE1-NH2 3.35Å; E799-R802 IonicContact OE2-CZ 3.98Å; E799-R802 VanDerWaalsContact OE2-CZ 3.32Å; E799-R802 IonicContact OE2-NH1 3.15Å; E799-R802 PolarHBondContact OE2-NH1 3.04Å; E799-R802 IonicContact OE2-NH2 2.81Å; E799-R802 PolarHBondContact OE2-NH2 3.22Å; R802-R804 PolarHBondContact O-N 2.95Å; R802-R805 CarbonylContact O-C 3.57Å; R802-R805 WeakPolarHBondContact O-CA 3.28Å; R802-R805 WeakPolarHBondContact O-CB 3.31Å; R802-R805 PolarHBondContact O-N 3.46Å; R802-E806 IonicContact CZ-OE1 3.35Å; R802-E806 IonicContact NE-OE1 3.04Å; R802-E806 PolarHBondContact NE-OE1 2.87Å; R802-E806 IonicContact NH2-OE1 2.75Å; R802-E806 PolarHBondContact NH2-OE1 2.96Å; R802-E806 VanDerWaalsContact NH2-OE1 3.09Å; R802-E806 WeakPolarHBondContact O-CB 3.4Å; R802-E806 VanDerWaalsContact O-CG 3.26Å; R802-E806 WeakPolarHBondContact O-CG 3.3Å; R802-E806 PolarHBondContact O-N 3.31Å
803	Q	75.6	Confident	78.8	Confident	63 Å²	63	92.6 Å²	92.6	29%	0.294	42%	0.42	S	S	.	.	H	α-helix	trans	-60.2	-31.1	171	-72.2	-178.2	28	0	0	112.9	E799 R807	E799-Q803 WeakPolarHBondContact O-CB 3.19Å; E799-Q803 WeakPolarHBondContact O-CG 3.48Å; E799-Q803 PolarHBondContact O-N 2.83Å; E799-Q803 PolarHBondContact OE1-NE2 3.19Å; Q803-R807 WeakPolarHBondContact O-CB 3.23Å; Q803-R807 WeakPolarHBondContact O-CG 3.3Å; Q803-R807 PolarHBondContact O-N 3.35Å; Q803-R807 PolarHBondContact O-NE 2.87Å
804	R	79.9	Confident	79.4	Confident	170 Å²	170	92.6 Å²	92.6	64%	0.642	42%	0.419	S	S	*	.	H	α-helix	trans	-73.3	-32.8	173.1	-158.9	-171	168.5	-173.5	-3.2	111.5	L800 E801 R802 R808	L800-R804 VanDerWaalsContact O-CB 3.31Å; L800-R804 WeakPolarHBondContact O-CB 3.38Å; L800-R804 PolarHBondContact O-N 3.25Å; E801-R804 CarbonylContact O-C 3.58Å; E801-R804 WeakPolarHBondContact O-CA 3.44Å; E801-R804 WeakPolarHBondContact O-CB 3.21Å; E801-R804 PolarHBondContact O-N 2.86Å; R802-R804 PolarHBondContact O-N 2.95Å; R804-R808 WeakPolarHBondContact O-CG 3.13Å; R804-R808 PolarHBondContact O-NH1 3.46Å
805	R	75.6	Confident	80.1	Confident	56 Å²	56	88.5 Å²	88.5	21%	0.211	41%	0.406	C	S	.	.	H	α-helix	trans	-68.4	-50.8	172	-71.2	-179.8	-175	103.5	26.9	110.1	E691 E801 R802 R807 R808	E691-R805 IonicContact OE1-CZ 3.88Å; E691-R805 IonicContact OE1-NE 3.99Å; E691-R805 IonicContact OE1-NH1 3.81Å; E691-R805 PolarHBondContact OE1-NH1 2.95Å; E691-R805 IonicContact OE2-NH1 3.2Å; E801-R805 WeakPolarHBondContact O-CG 3.37Å; E801-R805 PolarHBondContact O-N 3.37Å; E801-R805 IonicContact OE2-CZ 3.7Å; E801-R805 IonicContact OE2-NH2 2.63Å; E801-R805 PolarHBondContact OE2-NH2 2.96Å; R802-R805 CarbonylContact O-C 3.57Å; R802-R805 WeakPolarHBondContact O-CA 3.28Å; R802-R805 WeakPolarHBondContact O-CB 3.31Å; R802-R805 PolarHBondContact O-N 3.46Å; R805-R807 VanDerWaalsContact C-N 3.33Å; R805-R807 PolarHBondContact O-N 3.36Å; R805-R808 WeakPolarHBondContact O-CB 3.23Å; R805-R808 PolarHBondContact O-N 2.91Å
806	E	79.4	Confident	80.9	Confident	51 Å²	51	82.1 Å²	82.1	24%	0.238	38%	0.379	C	S	.	.	H	α-helix	trans	-50.3	-50.2	174.1	-68.1	162.1	-165.6	0	0	111.3	L684 L688 R802 R808 Y809 I810	L684-E806 HydrophobicContact CD1-CG 4.41Å; L684-E806 HydrophobicContact CD2-CB 4.23Å; L684-E806 HydrophobicContact CD2-CG 4.15Å; L688-E806 HydrophobicContact CD1-CG 4.14Å; R802-E806 IonicContact CZ-OE1 3.35Å; R802-E806 IonicContact NE-OE1 3.04Å; R802-E806 PolarHBondContact NE-OE1 2.87Å; R802-E806 IonicContact NH2-OE1 2.75Å; R802-E806 PolarHBondContact NH2-OE1 2.96Å; R802-E806 VanDerWaalsContact NH2-OE1 3.09Å; R802-E806 WeakPolarHBondContact O-CB 3.4Å; R802-E806 VanDerWaalsContact O-CG 3.26Å; R802-E806 WeakPolarHBondContact O-CG 3.3Å; R802-E806 PolarHBondContact O-N 3.31Å; E806-R808 PolarHBondContact O-N 3.44Å; E806-R808 VanDerWaalsContact O-N 3.12Å; E806-Y809 PolarHBondContact O-N 3.09Å; E806-I810 PolarHBondContact O-N 2.64Å
807	R	79.9	Confident	81.6	Confident	164 Å²	164	75.5 Å²	75.5	62%	0.619	35%	0.351	S	S	*	.	H	α-helix	trans	-61.6	-17.1	176.2	-73.1	175.6	-137.5	-156.8	3.9	115.3	Q803 R805 Y809	Q803-R807 WeakPolarHBondContact O-CB 3.23Å; Q803-R807 WeakPolarHBondContact O-CG 3.3Å; Q803-R807 PolarHBondContact O-N 3.35Å; Q803-R807 PolarHBondContact O-NE 2.87Å; R805-R807 VanDerWaalsContact C-N 3.33Å; R805-R807 PolarHBondContact O-N 3.36Å; R807-Y809 VanDerWaalsContact C-N 3.34Å
808	R	82.3	Confident	82.7	Confident	41 Å²	41	72 Å²	72	16%	0.155	33%	0.334	C	S	.	.	H	α-helix	trans	-80.6	-14.8	173.6	-69.2	-172	-77.6	-87.3	36.3	113.4	H510 E512 R804 R805 E806	H510-R808 HydrophobicContact CB-CB 4.35Å; H510-R808 HydrophobicContact CB-CG 4.2Å; H510-R808 VanDerWaalsContact ND1-CD 3.29Å; H510-R808 WeakPolarHBondContact ND1-CD 3.4Å; E512-R808 VanDerWaalsContact CD-NH2 3.28Å; E512-R808 IonicContact OE1-CZ 3.76Å; E512-R808 IonicContact OE1-NE 3.89Å; E512-R808 IonicContact OE1-NH2 2.66Å; E512-R808 PolarHBondContact OE1-NH2 3.2Å; E512-R808 VanDerWaalsContact OE1-NH2 3.09Å; E512-R808 IonicContact OE2-CZ 2.77Å; E512-R808 IonicContact OE2-NE 2.72Å; E512-R808 PolarHBondContact OE2-NE 3.36Å; E512-R808 IonicContact OE2-NH2 3.79Å; E512-R808 PolarHBondContact OE2-NH2 2.86Å; R804-R808 WeakPolarHBondContact O-CG 3.13Å; R804-R808 PolarHBondContact O-NH1 3.46Å; R805-R808 WeakPolarHBondContact O-CB 3.23Å; R805-R808 PolarHBondContact O-N 2.91Å; E806-R808 PolarHBondContact O-N 3.44Å; E806-R808 VanDerWaalsContact O-N 3.12Å
809	Y	83.5	Confident	83.5	Confident	12 Å²	12	66.3 Å²	66.3	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-109.9	-2.2	-178.7	-77.7	-104.1	0	0	0	113	E512 V513 L680 Q683 L684 E806 R807 L811	E512-Y809 PolarHBondContact O-OH 3.43Å; V513-Y809 HydrophobicContact CB-CE1 4.45Å; V513-Y809 HydrophobicContact CG1-CD1 4.19Å; V513-Y809 HydrophobicContact CG1-CE1 3.93Å; V513-Y809 HydrophobicContact CG2-CD2 4.06Å; V513-Y809 HydrophobicContact CG2-CE1 4.34Å; V513-Y809 HydrophobicContact CG2-CE2 3.82Å; V513-Y809 HydrophobicContact CG2-CG 4.41Å; L680-Y809 HydrophobicContact CB-CD1 4.41Å; L680-Y809 HydrophobicContact CD2-CD1 4Å; L680-Y809 HydrophobicContact CD2-CE1 4.37Å; L680-Y809 VanDerWaalsContact O-CD1 3.3Å; L680-Y809 WeakPolarHBondContact O-CD1 3.43Å; Q683-Y809 HydrophobicContact CB-CE1 4.15Å; L684-Y809 HydrophobicContact CB-CD1 3.94Å; L684-Y809 HydrophobicContact CB-CE1 4.47Å; L684-Y809 HydrophobicContact CB-CG 3.95Å; L684-Y809 HydrophobicContact CD1-CD2 3.89Å; L684-Y809 HydrophobicContact CD1-CE2 4.39Å; L684-Y809 HydrophobicContact CD1-CG 4.11Å; L684-Y809 HydrophobicContact CG-CG 4.46Å; E806-Y809 PolarHBondContact O-N 3.09Å; R807-Y809 VanDerWaalsContact C-N 3.34Å; Y809-L811 PolarHBondContact O-N 3.1Å
810	I	81.4	Confident	84.1	Confident	109 Å²	109	64.2 Å²	64.2	56%	0.559	30%	0.297	S	S	*	.			trans	-81.8	114.1	173.7	-65.1	172.5	0	0	0	109.3	E806	E806-I810 PolarHBondContact O-N 2.64Å
811	L	86.2	Confident	84.9	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.105	27%	0.274	C	S	.	.			trans	-82.1	157.1	171.5	-65.9	-172.9	0	0	0	112	L509 W673 L680 Y809 L818	L509-L811 HydrophobicContact CD2-CD2 4.04Å; W673-L811 HydrophobicContact CE3-CD1 4.33Å; W673-L811 HydrophobicContact CH2-CB 4.11Å; W673-L811 HydrophobicContact CH2-CD1 3.74Å; W673-L811 HydrophobicContact CH2-CD2 4.31Å; W673-L811 HydrophobicContact CH2-CG 4.29Å; W673-L811 HydrophobicContact CZ2-CB 3.74Å; W673-L811 HydrophobicContact CZ2-CD1 3.98Å; W673-L811 HydrophobicContact CZ2-CG 4.38Å; W673-L811 HydrophobicContact CZ3-CD1 3.92Å; L680-L811 HydrophobicContact CD1-CD1 3.56Å; L680-L811 HydrophobicContact CD1-CD2 3.98Å; L680-L811 HydrophobicContact CD1-CG 3.81Å; Y809-L811 PolarHBondContact O-N 3.1Å; L811-L818 HydrophobicContact CD1-CD1 4.26Å; L811-L818 HydrophobicContact CD1-CD2 4.05Å; L811-L818 HydrophobicContact CD2-CD2 3.55Å; L811-L818 HydrophobicContact CG-CD2 4.47Å
812	P	86.8	Confident	85.6	Confident	50 Å²	50	58.8 Å²	58.8	33%	0.325	27%	0.271	S	S	.	.			trans	-59.8	155.4	170.5	-24.2	33.8	0	0	0	114.6	W673 E814	W673-P812 HydrophobicContact CZ2-CB 4.49Å; W673-P812 WeakPolarHBondContact CZ2-O 3.42Å; W673-P812 PolarHBondContact NE1-O 2.63Å; P812-E814 PolarHBondContact O-N 3.28Å
813	D	83.3	Confident	86.2	Confident	145 Å²	145	58.7 Å²	58.7	78%	0.775	27%	0.271	S	S	*	.	S	Bend	trans	-67.9	-20.3	175	-63.3	-52.1	0	0	0	113.5	R670	R670-D813 PolarHBondContact NH1-O 3.18Å; R670-D813 PolarHBondContact NH2-O 2.88Å
814	E	85.1	Confident	86.8	Confident	137 Å²	137	59.5 Å²	59.5	64%	0.64	29%	0.288	S	S	*	.	S	Bend	trans	-98.4	137.1	175.3	-65.2	-172.8	162.7	0	0	111.1	W673 P812 T816	W673-E814 VanDerWaalsContact CZ2-O 3.3Å; W673-E814 WeakPolarHBondContact CZ2-O 3.45Å; P812-E814 PolarHBondContact O-N 3.28Å; E814-T816 PolarHBondContact O-N 3.26Å
815	P	89	Confident	87.3	Confident	40 Å²	40	51.9 Å²	51.9	26%	0.26	26%	0.262	S	S	.	.			trans	-59.2	128.3	175.2	-23.7	34.6	0	0	0	112.4	P668 W673	P668-P815 HydrophobicContact CG-CB 4.38Å; P668-P815 WeakPolarHBondContact O-CB 3.49Å; W673-P815 HydrophobicContact CB-CB 4.23Å; W673-P815 HydrophobicContact CB-CG 4.16Å; W673-P815 HydrophobicContact CD2-CB 4.19Å; W673-P815 HydrophobicContact CG-CB 4.04Å; W673-P815 HydrophobicContact CG-CG 4.05Å
816	T	92.7	Very high	87.8	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	26%	0.262	C	S	.	.			trans	-136.9	159.5	178.8	51	0	0	0	0	110.7	N505 H507 P668 W673 E814 L818	N505-T816 HydrophobicContact CB-CG2 3.78Å; N505-T816 WeakPolarHBondContact O-CB 3.33Å; H507-T816 WeakPolarHBondContact CB-OG1 3.25Å; P668-T816 WeakPolarHBondContact CD-O 3.19Å; W673-T816 WeakPolarHBondContact CH2-OG1 3.36Å; W673-T816 WeakPolarHBondContact CZ3-O 3.43Å; E814-T816 PolarHBondContact O-N 3.26Å; T816-L818 PolarHBondContact O-N 2.64Å
817	I	93.4	Very high	88	Confident	7 Å²	7	56 Å²	56	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.5	178.5	-55.9	179.4	0	0	0	108.3	C504 N505 F506 H507 I621 V663 C666 L667	C504-I817 VanDerWaalsContact SG-CD1 3.59Å; N505-I817 PolarHBondContact O-N 3.19Å; F506-I817 CarbonylContact C-O 3.55Å; F506-I817 WeakPolarHBondContact CA-O 3.45Å; F506-I817 HydrophobicContact CD1-CB 3.6Å; F506-I817 HydrophobicContact CD1-CD1 4.29Å; F506-I817 HydrophobicContact CD1-CG1 4.43Å; F506-I817 HydrophobicContact CD1-CG2 3.8Å; F506-I817 HydrophobicContact CE1-CB 3.8Å; F506-I817 HydrophobicContact CE1-CD1 3.62Å; F506-I817 HydrophobicContact CE1-CG1 4.24Å; F506-I817 HydrophobicContact CE1-CG2 3.83Å; F506-I817 HydrophobicContact CZ-CD1 4.05Å; H507-I817 PolarHBondContact N-O 3.34Å; I621-I817 HydrophobicContact CD1-CG2 4.22Å; I621-I817 HydrophobicContact CG1-CG2 4.13Å; I621-I817 HydrophobicContact CG2-CG2 4.2Å; V663-I817 HydrophobicContact CB-CD1 4.22Å; V663-I817 WeakPolarHBondContact O-CD1 3.45Å; C666-I817 HydrophobicContact CB-CD1 3.95Å; L667-I817 HydrophobicContact CD2-CD1 4.4Å; L667-I817 HydrophobicContact CD2-CG1 3.71Å; L667-I817 HydrophobicContact CG-CD1 4.34Å; L667-I817 HydrophobicContact CG-CG1 4.05Å
818	L	93.1	Very high	88.4	Confident	20 Å²	20	50.6 Å²	50.6	11%	0.105	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.4	176.4	-59	-176	0	0	0	110.4	H507 L509 W673 L676 L680 L811 T816 Y820	H507-L818 HydrophobicContact CB-CD2 4.25Å; L509-L818 HydrophobicContact CD1-CB 4.26Å; L509-L818 HydrophobicContact CD1-CD1 4.32Å; L509-L818 HydrophobicContact CD1-CD2 4.25Å; W673-L818 HydrophobicContact CH2-CD2 3.65Å; W673-L818 HydrophobicContact CH2-CG 4.47Å; W673-L818 HydrophobicContact CZ3-CD1 4.41Å; W673-L818 HydrophobicContact CZ3-CD2 3.57Å; W673-L818 HydrophobicContact CZ3-CG 3.89Å; L676-L818 HydrophobicContact CD1-CD1 4.22Å; L680-L818 HydrophobicContact CD1-CD1 4.33Å; L811-L818 HydrophobicContact CD1-CD1 4.26Å; L811-L818 HydrophobicContact CD1-CD2 4.05Å; L811-L818 HydrophobicContact CD2-CD2 3.55Å; L811-L818 HydrophobicContact CG-CD2 4.47Å; T816-L818 PolarHBondContact O-N 2.64Å; L818-Y820 HydrophobicContact CB-CD2 4.5Å; L818-Y820 HydrophobicContact CB-CE2 3.81Å; L818-Y820 HydrophobicContact CD1-CE2 4.39Å
819	V	94.8	Very high	88.7	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.4	176.8	-164.5	0	0	0	0	108.7	F506 H507 I508 L509 L575 T619 I621 P821 C832	F506-V819 HydrophobicContact CB-CG2 3.79Å; F506-V819 HydrophobicContact CD1-CG2 3.91Å; F506-V819 HydrophobicContact CG-CG2 4.26Å; H507-V819 PolarHBondContact O-N 3.27Å; I508-V819 HydrophobicContact CB-CB 4.44Å; I508-V819 HydrophobicContact CG1-CB 4.14Å; I508-V819 HydrophobicContact CG1-CG2 4.16Å; I508-V819 HydrophobicContact CG2-CB 4.48Å; L509-V819 PolarHBondContact N-O 3.34Å; L575-V819 HydrophobicContact CD1-CG2 4.12Å; L575-V819 HydrophobicContact CD2-CG1 3.97Å; L575-V819 HydrophobicContact CD2-CG2 3.84Å; T619-V819 HydrophobicContact CG2-CG1 4.46Å; I621-V819 HydrophobicContact CD1-CG1 4.39Å; I621-V819 HydrophobicContact CD1-CG2 4.18Å; V819-P821 HydrophobicContact CG1-CG 4.47Å; V819-P821 WeakPolarHBondContact O-CD 3.35Å; V819-C832 HydrophobicContact CG1-CB 4.29Å
820	Y	93.3	Very high	89.2	Confident	27 Å²	27	54.6 Å²	54.6	11%	0.106	30%	0.302	C	S	.	.			trans	-117.1	85.6	174.6	-63.8	-88.9	0	0	0	108.8	L509 V513 P515 P516 T619 L818 N822	L509-Y820 HydrophobicContact CB-CD1 4.36Å; L509-Y820 HydrophobicContact CB-CE1 4.32Å; L509-Y820 HydrophobicContact CD1-CD1 4.02Å; L509-Y820 HydrophobicContact CD1-CE1 3.3Å; L509-Y820 HydrophobicContact CD1-CE2 3.99Å; L509-Y820 VanDerWaalsContact CD1-OH 3.3Å; L509-Y820 WeakPolarHBondContact CD1-OH 3.29Å; L509-Y820 HydrophobicContact CG-CE1 4.43Å; V513-Y820 HydrophobicContact CG1-CE1 4.35Å; P515-Y820 HydrophobicContact CB-CD1 3.94Å; P515-Y820 HydrophobicContact CB-CE1 4.18Å; P515-Y820 HydrophobicContact CB-CG 4.18Å; P515-Y820 HydrophobicContact CG-CD1 3.68Å; P515-Y820 HydrophobicContact CG-CE1 4.31Å; P515-Y820 HydrophobicContact CG-CG 4.02Å; P516-Y820 WeakPolarHBondContact CD-OH 3.47Å; T619-Y820 CarbonylContact C-O 3.52Å; T619-Y820 WeakPolarHBondContact CA-O 3.08Å; T619-Y820 CarbonylContact O-C 3.59Å; T619-Y820 PolarHBondContact O-N 3.28Å; L818-Y820 HydrophobicContact CB-CD2 4.5Å; L818-Y820 HydrophobicContact CB-CE2 3.81Å; L818-Y820 HydrophobicContact CD1-CE2 4.39Å; Y820-N822 PolarHBondContact O-N 2.93Å
821	P	94.1	Very high	89.8	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.013	29%	0.292	C	S	.	.			trans	-56.6	132.1	179.3	-21.4	29.7	0	0	0	111.8	I508 V819 W823 F830 C832	I508-P821 HydrophobicContact CG2-CG 3.66Å; V819-P821 HydrophobicContact CG1-CG 4.47Å; V819-P821 WeakPolarHBondContact O-CD 3.35Å; P821-W823 VanDerWaalsContact C-N 3.35Å; P821-W823 HydrophobicContact CB-CD2 4.48Å; P821-W823 HydrophobicContact CB-CZ2 3.9Å; P821-W823 HydrophobicContact CG-CZ2 3.81Å; P821-W823 VanDerWaalsContact O-CZ3 3.23Å; P821-W823 WeakPolarHBondContact O-CZ3 3.49Å; P821-W823 PolarHBondContact O-N 3.49Å; P821-F830 HydrophobicContact CB-CD1 4.45Å; P821-F830 HydrophobicContact CB-CE1 4.39Å; P821-C832 HydrophobicContact CG-CB 3.98Å
822	N	91.9	Very high	90.3	Very high	55 Å²	55	52.1 Å²	52.1	29%	0.294	29%	0.29	S	S	.	.			trans	-79.3	83.7	177.6	-174.7	-15.1	0	0	0	110	A617 L618 Y820 A824 A825	A617-N822 WeakPolarHBondContact O-CB 3.49Å; A617-N822 PolarHBondContact O-ND2 3.36Å; L618-N822 WeakPolarHBondContact O-CB 3.3Å; L618-N822 PolarHBondContact O-N 3.43Å; Y820-N822 PolarHBondContact O-N 2.93Å; N822-A824 PolarHBondContact O-N 3.49Å; N822-A824 PolarHBondContact OD1-N 3.44Å; N822-A825 HydrophobicContact CB-CB 4.05Å; N822-A825 VanDerWaalsContact O-CB 3.27Å; N822-A825 WeakPolarHBondContact O-CB 3.38Å; N822-A825 PolarHBondContact O-N 2.88Å; N822-A825 PolarHBondContact OD1-N 2.84Å
823	W	88.8	Confident	90.7	Very high	52 Å²	52	51.6 Å²	51.6	20%	0.197	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-4.9	-178.4	-57.1	-72.6	0	0	0	115.4	L509 H510 K511 P821 G828 D831	L509-W823 VanDerWaalsContact O-CZ2 3.31Å; L509-W823 WeakPolarHBondContact O-CZ2 3.18Å; H510-W823 WeakPolarHBondContact O-CH2 3.38Å; K511-W823 VanDerWaalsContact CA-CH2 3.46Å; K511-W823 HydrophobicContact CB-CD2 3.79Å; K511-W823 HydrophobicContact CB-CE3 4.05Å; K511-W823 HydrophobicContact CB-CG 4.3Å; K511-W823 HydrophobicContact CB-CH2 4.41Å; K511-W823 HydrophobicContact CB-CZ2 4.13Å; K511-W823 HydrophobicContact CB-CZ3 4.37Å; K511-W823 HydrophobicContact CD-CB 4.1Å; K511-W823 HydrophobicContact CD-CD2 4.23Å; K511-W823 HydrophobicContact CD-CG 3.94Å; K511-W823 HydrophobicContact CG-CB 4.46Å; K511-W823 HydrophobicContact CG-CD2 3.75Å; K511-W823 HydrophobicContact CG-CE3 3.85Å; K511-W823 HydrophobicContact CG-CG 4.02Å; P821-W823 VanDerWaalsContact C-N 3.35Å; P821-W823 HydrophobicContact CB-CD2 4.48Å; P821-W823 HydrophobicContact CB-CZ2 3.9Å; P821-W823 HydrophobicContact CG-CZ2 3.81Å; P821-W823 VanDerWaalsContact O-CZ3 3.23Å; P821-W823 WeakPolarHBondContact O-CZ3 3.49Å; P821-W823 PolarHBondContact O-N 3.49Å; W823-G828 CarbonylContact O-C 3.52Å; W823-G828 WeakPolarHBondContact O-CA 3.4Å; W823-D831 PolarHBondContact NE1-OD1 3.28Å
824	A	89	Confident	91.3	Very high	80 Å²	80	46.9 Å²	46.9	66%	0.661	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-22.2	169.6	0	0	0	0	0	112.8	N822 G828	N822-A824 PolarHBondContact O-N 3.49Å; N822-A824 PolarHBondContact OD1-N 3.44Å; A824-G828 PolarHBondContact O-N 3.46Å
825	A	89.2	Confident	91.8	Very high	10 Å²	10	41.8 Å²	41.8	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	161.7	-179.7	0	0	0	0	0	112.8	L523 L618 N822 N827 G828 K829 F830	L523-A825 HydrophobicContact CD2-CB 4.11Å; L618-A825 HydrophobicContact CD2-CB 3.77Å; N822-A825 HydrophobicContact CB-CB 4.05Å; N822-A825 VanDerWaalsContact O-CB 3.27Å; N822-A825 WeakPolarHBondContact O-CB 3.38Å; N822-A825 PolarHBondContact O-N 2.88Å; N822-A825 PolarHBondContact OD1-N 2.84Å; A825-N827 VanDerWaalsContact C-N 3.3Å; A825-N827 PolarHBondContact O-N 2.84Å; A825-G828 PolarHBondContact O-N 2.92Å; A825-G828 VanDerWaalsContact O-N 3.07Å; A825-K829 PolarHBondContact O-N 3.11Å; A825-F830 HydrophobicContact CB-CB 3.99Å; A825-F830 HydrophobicContact CB-CG 4.41Å; A825-F830 PolarHBondContact O-N 3.41Å
826	K	86.1	Confident	92.2	Very high	48 Å²	48	40.7 Å²	40.7	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	45.3	51.9	179.4	-51	-60.7	-175.5	-175.4	0	112.5	K829 F830	K826-K829 PolarHBondContact O-N 2.76Å; K826-F830 HydrophobicContact CB-CB 4.28Å; K826-F830 HydrophobicContact CG-CB 4.32Å; K826-F830 HydrophobicContact CG-CD2 4.19Å
827	N	85.4	Confident	92.4	Very high	147 Å²	147	40.2 Å²	40.2	79%	0.786	23%	0.231	S	C	*	.	H	α-helix	trans	63.2	37.2	-179.9	-52	90.3	0	0	0	114.8	A825 K829	A825-N827 VanDerWaalsContact C-N 3.3Å; A825-N827 PolarHBondContact O-N 2.84Å; N827-K829 VanDerWaalsContact C-N 3.31Å; N827-K829 PolarHBondContact O-N 3.07Å
828	G	86.4	Confident	92.4	Very high	50 Å²	50	41.8 Å²	41.8	52%	0.515	24%	0.243	S	C	.	.	H	α-helix	trans	73.5	21	178.3	0	0	0	0	0	114.2	W823 A824 A825	W823-G828 CarbonylContact O-C 3.52Å; W823-G828 WeakPolarHBondContact O-CA 3.4Å; A824-G828 PolarHBondContact O-N 3.46Å; A825-G828 PolarHBondContact O-N 2.92Å; A825-G828 VanDerWaalsContact O-N 3.07Å
829	K	88.9	Confident	92.5	Very high	134 Å²	134	44.2 Å²	44.2	58%	0.583	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	3.2	-176	-65.1	-171.9	177.8	-173.9	0	113.8	G580 A825 K826 N827	G580-K829 PolarHBondContact N-O 2.94Å; A825-K829 PolarHBondContact O-N 3.11Å; K826-K829 PolarHBondContact O-N 2.76Å; N827-K829 VanDerWaalsContact C-N 3.31Å; N827-K829 PolarHBondContact O-N 3.07Å
830	F	93.8	Very high	92.5	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.8	177.1	-172.9	-96.6	0	0	0	111.4	M578 M585 L618 T619 P821 A825 K826 C832	M578-F830 WeakPolarHBondContact O-CA 3.43Å; M585-F830 HydrophobicContact SD-CD2 4.4Å; M585-F830 HydrophobicContact SD-CE2 4.35Å; L618-F830 HydrophobicContact CB-CE1 3.93Å; L618-F830 HydrophobicContact CB-CE2 4.48Å; L618-F830 HydrophobicContact CB-CZ 3.84Å; L618-F830 HydrophobicContact CD1-CE2 4.3Å; L618-F830 HydrophobicContact CD1-CZ 4.38Å; L618-F830 HydrophobicContact CD2-CD1 4.23Å; L618-F830 HydrophobicContact CD2-CD2 4.03Å; L618-F830 HydrophobicContact CD2-CE1 4.25Å; L618-F830 HydrophobicContact CD2-CE2 4.03Å; L618-F830 HydrophobicContact CD2-CG 4.13Å; L618-F830 HydrophobicContact CD2-CZ 4.15Å; L618-F830 HydrophobicContact CG-CZ 4.35Å; L618-F830 WeakPolarHBondContact O-CE1 3.37Å; T619-F830 HydrophobicContact CG2-CZ 4.46Å; P821-F830 HydrophobicContact CB-CD1 4.45Å; P821-F830 HydrophobicContact CB-CE1 4.39Å; A825-F830 HydrophobicContact CB-CB 3.99Å; A825-F830 HydrophobicContact CB-CG 4.41Å; A825-F830 PolarHBondContact O-N 3.41Å; K826-F830 HydrophobicContact CB-CB 4.28Å; K826-F830 HydrophobicContact CG-CB 4.32Å; K826-F830 HydrophobicContact CG-CD2 4.19Å; F830-C832 VanDerWaalsContact CE1-SG 3.56Å
831	D	94.8	Very high	92.6	Very high	66 Å²	66	45 Å²	45	35%	0.353	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-174.1	168.6	-155	1.8	0	0	0	109.1	M578 W823	M578-D831 HydrophobicContact CB-CB 4.29Å; M578-D831 PolarHBondContact N-O 2.87Å; M578-D831 PolarHBondContact O-N 2.98Å; W823-D831 PolarHBondContact NE1-OD1 3.28Å
832	C	95.8	Very high	92.5	Very high	10 Å²	10	50.1 Å²	50.1	7%	0.068	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	158	174.1	-66.5	0	0	0	0	112.5	I508 L575 V576 V819 P821 F830	I508-C832 HydrophobicContact CD1-CB 3.9Å; I508-C832 WeakPolarHBondContact CD1-O 3.31Å; I508-C832 HydrophobicContact CG2-CB 4.42Å; L575-C832 HydrophobicContact CD1-CB 4.16Å; V576-C832 WeakPolarHBondContact O-CA 3.18Å; V819-C832 HydrophobicContact CG1-CB 4.29Å; P821-C832 HydrophobicContact CG-CB 3.98Å; F830-C832 VanDerWaalsContact CE1-SG 3.56Å
833	S	95.9	Very high	92.4	Very high	40 Å²	40	50.4 Å²	50.4	28%	0.28	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.4	175.2	-173.1	0	0	0	0	111.6	L575 V576 M835	L575-S833 WeakPolarHBondContact CA-O 3.48Å; V576-S833 PolarHBondContact N-O 3.28Å; V576-S833 PolarHBondContact O-N 3.32Å; S833-M835 WeakPolarHBondContact OG-CG 3.46Å
834	V	96	Very high	92.4	Very high	46 Å²	46	52.1 Å²	52.1	28%	0.279	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	100.7	171.6	-176	0	0	0	0	108.7	F506 I508 A540 K573 F574 L575	F506-V834 HydrophobicContact CB-CG2 4.06Å; I508-V834 HydrophobicContact CD1-CG2 4.1Å; I508-V834 HydrophobicContact CG1-CG2 4.46Å; A540-V834 HydrophobicContact CB-CG1 4.22Å; K573-V834 HydrophobicContact CB-CG1 3.84Å; K573-V834 HydrophobicContact CD-CG1 3.9Å; K573-V834 HydrophobicContact CG-CG1 4.48Å; F574-V834 WeakPolarHBondContact O-CA 3.37Å; L575-V834 HydrophobicContact CD1-CG2 3.71Å
835	M	95.5	Very high	92.2	Very high	29 Å²	29	55.8 Å²	55.8	14%	0.143	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141	-172.7	-62.2	-179.3	69.2	0	0	110.7	K573 F574 V576 M578 A584 S833 V839 L840	K573-M835 CarbonylContact C-O 3.56Å; K573-M835 WeakPolarHBondContact CA-O 3.23Å; K573-M835 WeakPolarHBondContact CB-O 3.47Å; F574-M835 PolarHBondContact N-O 2.83Å; F574-M835 PolarHBondContact O-N 3.21Å; V576-M835 HydrophobicContact CG2-CG 4.02Å; V576-M835 HydrophobicContact CG2-SD 3.64Å; M578-M835 HydrophobicContact SD-SD 4.03Å; A584-M835 HydrophobicContact CB-SD 4.23Å; S833-M835 WeakPolarHBondContact OG-CG 3.46Å; M835-V839 HydrophobicContact CE-CG1 3.64Å; M835-L840 HydrophobicContact CB-CD2 3.81Å; M835-L840 HydrophobicContact CB-CG 4.16Å; M835-L840 HydrophobicContact CE-CD2 3.85Å; M835-L840 HydrophobicContact CG-CD2 4.47Å; M835-L840 HydrophobicContact SD-CD2 3.92Å
836	S	96.8	Very high	92	Very high	18 Å²	18	61.4 Å²	61.4	13%	0.126	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	151.9	175.6	61.9	0	0	0	0	111.8	R570 I572 S838 V839 L840	R570-S836 WeakPolarHBondContact O-CB 3.43Å; I572-S836 WeakPolarHBondContact O-CA 3.5Å; S836-S838 PolarHBondContact O-N 3.17Å; S836-S838 PolarHBondContact OG-OG 2.9Å; S836-V839 PolarHBondContact O-N 2.86Å; S836-V839 WeakPolarHBondContact OG-CG2 3.23Å; S836-L840 PolarHBondContact O-N 2.92Å; S836-L840 VanDerWaalsContact O-N 3.15Å
837	L	96.5	Very high	92.1	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-51.6	-40.5	175.6	177.9	63.7	0	0	0	111	A569 I572 F574 V839 L840 L841 A859 F862 L866	A569-L837 HydrophobicContact CB-CB 4.34Å; A569-L837 HydrophobicContact CB-CD2 4.15Å; A569-L837 HydrophobicContact CB-CG 4.34Å; A569-L837 WeakPolarHBondContact O-CB 3.44Å; A569-L837 PolarHBondContact O-N 3.28Å; I572-L837 HydrophobicContact CG2-CB 4.46Å; I572-L837 PolarHBondContact O-N 3.12Å; F574-L837 HydrophobicContact CE2-CB 4.41Å; F574-L837 HydrophobicContact CE2-CD1 4.29Å; L837-V839 PolarHBondContact O-N 2.97Å; L837-L840 PolarHBondContact O-N 3.49Å; L837-L841 HydrophobicContact CD1-CD1 4.22Å; L837-L841 HydrophobicContact CD1-CG 4.34Å; L837-L841 HydrophobicContact CG-CD1 3.98Å; L837-L841 VanDerWaalsContact O-CG 3.28Å; L837-L841 WeakPolarHBondContact O-CG 3.42Å; L837-L841 PolarHBondContact O-N 2.71Å; L837-L841 VanDerWaalsContact O-N 3.11Å; L837-A859 HydrophobicContact CD1-CB 4.02Å; L837-A859 WeakPolarHBondContact CD1-O 3.47Å; L837-F862 HydrophobicContact CD1-CD1 4.31Å; L837-F862 HydrophobicContact CD2-CD1 4.01Å; L837-L866 HydrophobicContact CD2-CD1 4Å
838	S	95.1	Very high	92.4	Very high	41 Å²	41	56.4 Å²	56.4	29%	0.287	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-18.8	176.1	69.5	0	0	0	0	115.7	A569 R570 S836	A569-S838 WeakPolarHBondContact O-CB 3.43Å; A569-S838 PolarHBondContact O-N 3.44Å; R570-S838 WeakPolarHBondContact CG-OG 3.18Å; S836-S838 PolarHBondContact O-N 3.17Å; S836-S838 PolarHBondContact OG-OG 2.9Å
839	V	95.2	Very high	92.7	Very high	70 Å²	70	57.4 Å²	57.4	42%	0.424	29%	0.293	S	S	.	.	H	α-helix	trans	-97.5	-30.7	176.7	177.5	0	0	0	0	110.5	M835 S836 L837 L841 D842	M835-V839 HydrophobicContact CE-CG1 3.64Å; S836-V839 PolarHBondContact O-N 2.86Å; S836-V839 WeakPolarHBondContact OG-CG2 3.23Å; L837-V839 PolarHBondContact O-N 2.97Å; V839-L841 PolarHBondContact O-N 2.78Å; V839-D842 PolarHBondContact O-N 3.21Å
840	L	94.9	Very high	92.9	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-72	-17.8	173.5	-59	-178.9	0	0	0	113.2	M537 F574 V576 M835 S836 L837 V855 A859	M537-L840 HydrophobicContact CE-CD1 4.09Å; F574-L840 HydrophobicContact CB-CD1 4.33Å; F574-L840 HydrophobicContact CD2-CD1 4Å; V576-L840 HydrophobicContact CG1-CD1 4.43Å; M835-L840 HydrophobicContact CB-CD2 3.81Å; M835-L840 HydrophobicContact CB-CG 4.16Å; M835-L840 HydrophobicContact CE-CD2 3.85Å; M835-L840 HydrophobicContact CG-CD2 4.47Å; M835-L840 HydrophobicContact SD-CD2 3.92Å; S836-L840 PolarHBondContact O-N 2.92Å; S836-L840 VanDerWaalsContact O-N 3.15Å; L837-L840 PolarHBondContact O-N 3.49Å; L840-V855 HydrophobicContact CD1-CG1 4.17Å; L840-V855 HydrophobicContact CD2-CG1 3.78Å; L840-V855 HydrophobicContact CG-CG1 4.39Å; L840-A859 HydrophobicContact CB-CB 3.65Å
841	L	94.1	Very high	92.8	Very high	37 Å²	37	54.5 Å²	54.5	19%	0.194	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.9	171.8	-66.8	169.8	0	0	0	113.7	L837 V839 A859 E860 N863	L837-L841 HydrophobicContact CD1-CD1 4.22Å; L837-L841 HydrophobicContact CD1-CG 4.34Å; L837-L841 HydrophobicContact CG-CD1 3.98Å; L837-L841 VanDerWaalsContact O-CG 3.28Å; L837-L841 WeakPolarHBondContact O-CG 3.42Å; L837-L841 PolarHBondContact O-N 2.71Å; L837-L841 VanDerWaalsContact O-N 3.11Å; V839-L841 PolarHBondContact O-N 2.78Å; L841-A859 HydrophobicContact CD2-CB 3.98Å; L841-A859 HydrophobicContact CG-CB 4.26Å; L841-E860 HydrophobicContact CD2-CB 4.47Å; L841-E860 HydrophobicContact CD2-CG 3.88Å; L841-E860 WeakPolarHBondContact CD2-OE2 3.41Å; L841-N863 HydrophobicContact CD1-CB 4.09Å; L841-N863 HydrophobicContact CD2-CB 4.24Å
842	D	92.4	Very high	92.8	Very high	108 Å²	108	51.5 Å²	51.5	58%	0.578	27%	0.266	S	S	*	.	S	Bend	trans	-95.3	96.9	-177.2	-168	18.4	0	0	0	110.5	V839 R844	V839-D842 PolarHBondContact O-N 3.21Å; D842-R844 PolarHBondContact O-N 2.88Å
843	Y	90	Very high	92.8	Very high	62 Å²	62	51.1 Å²	51.1	24%	0.243	26%	0.263	C	S	.	.			trans	-72.2	115.1	-172.9	-60.9	-63.1	0	0	0	112.9	L475 E860	L475-Y843 HydrophobicContact CB-CE1 4.1Å; L475-Y843 HydrophobicContact CD1-CD1 4.28Å; L475-Y843 HydrophobicContact CD1-CE1 3.49Å; L475-Y843 VanDerWaalsContact CD1-CE1 3.49Å; L475-Y843 HydrophobicContact CG-CE1 4.39Å; Y843-E860 VanDerWaalsContact OH-CD 3.3Å; Y843-E860 WeakPolarHBondContact OH-CG 3.08Å; Y843-E860 PolarHBondContact OH-OE1 3.34Å
844	R	87.7	Confident	92.8	Very high	88 Å²	88	49.2 Å²	49.2	33%	0.332	25%	0.25	S	C	.	.			trans	-102.6	157.4	176.5	-50.9	164.8	-62.6	160.5	8.9	111.2	D582 D842 E846 D847	D582-R844 PolarHBondContact O-NH1 3.23Å; D582-R844 PolarHBondContact O-NH2 3.34Å; D842-R844 PolarHBondContact O-N 2.88Å; R844-E846 WeakPolarHBondContact CB-OE2 3.43Å; R844-E846 PolarHBondContact O-N 2.82Å; R844-D847 WeakPolarHBondContact CB-OD2 3.35Å; R844-D847 IonicContact CZ-OD1 3.79Å; R844-D847 IonicContact CZ-OD2 3.57Å; R844-D847 VanDerWaalsContact CZ-OD2 3.24Å; R844-D847 IonicContact NE-OD2 3.23Å; R844-D847 PolarHBondContact NE-OD2 2.96Å; R844-D847 IonicContact NH2-OD1 3.6Å; R844-D847 PolarHBondContact NH2-OD1 2.84Å; R844-D847 IonicContact NH2-OD2 2.78Å; R844-D847 PolarHBondContact NH2-OD2 2.83Å; R844-D847 PolarHBondContact O-N 2.9Å
845	L	85.2	Confident	92.9	Very high	157 Å²	157	47.2 Å²	47.2	82%	0.822	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.2	-178.2	-63.4	174.8	0	0	0	112.5	N848	L845-N848 PolarHBondContact O-ND2 3.37Å
846	E	85.8	Confident	92.9	Very high	127 Å²	127	46.3 Å²	46.3	59%	0.593	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.3	177.4	-64.2	71.8	-160.2	0	0	113.1	R844 N848	R844-E846 WeakPolarHBondContact CB-OE2 3.43Å; R844-E846 PolarHBondContact O-N 2.82Å; E846-N848 PolarHBondContact O-N 3.06Å
847	D	88.1	Confident	92.9	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.102	23%	0.228	C	C	.	.			trans	-76.8	30.8	-176.6	-71.2	-56.2	0	0	0	113.9	R844 K849 S852	R844-D847 WeakPolarHBondContact CB-OD2 3.35Å; R844-D847 IonicContact CZ-OD1 3.79Å; R844-D847 IonicContact CZ-OD2 3.57Å; R844-D847 VanDerWaalsContact CZ-OD2 3.24Å; R844-D847 IonicContact NE-OD2 3.23Å; R844-D847 PolarHBondContact NE-OD2 2.96Å; R844-D847 IonicContact NH2-OD1 3.6Å; R844-D847 PolarHBondContact NH2-OD1 2.84Å; R844-D847 IonicContact NH2-OD2 2.78Å; R844-D847 PolarHBondContact NH2-OD2 2.83Å; R844-D847 PolarHBondContact O-N 2.9Å; D847-K849 PolarHBondContact O-N 3.05Å; D847-S852 PolarHBondContact OD1-OG 2.78Å; D847-S852 VanDerWaalsContact OD1-OG 3.04Å
848	N	90.6	Very high	92.9	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	23%	0.228	S	C	.	.			trans	-80	44.6	178.5	56.5	60.8	0	0	0	112.8	Y476 L845 E846	Y476-N848 HydrophobicContact CD2-CB 4.21Å; Y476-N848 VanDerWaalsContact CE1-C 3.43Å; Y476-N848 HydrophobicContact CE2-CB 4.38Å; Y476-N848 HydrophobicContact CG-CB 4.43Å; L845-N848 PolarHBondContact O-ND2 3.37Å; E846-N848 PolarHBondContact O-N 3.06Å
849	K	92.8	Very high	93	Very high	71 Å²	71	43.6 Å²	43.6	31%	0.309	22%	0.215	S	C	.	.	S	Bend	trans	-137.4	140.7	-167.5	-65.7	-76.1	173.3	-74.7	0	111.1	E583 D847 H851 S852 F853	E583-K849 HydrophobicContact CG-CG 4.34Å; E583-K849 WeakPolarHBondContact OE1-CD 3.27Å; E583-K849 WeakPolarHBondContact OE1-CE 3.44Å; E583-K849 VanDerWaalsContact OE1-CG 3.23Å; E583-K849 WeakPolarHBondContact OE1-CG 3.41Å; D847-K849 PolarHBondContact O-N 3.05Å; K849-H851 VanDerWaalsContact C-N 3.35Å; K849-H851 PolarHBondContact O-N 2.8Å; K849-S852 WeakPolarHBondContact O-CB 3.27Å; K849-S852 PolarHBondContact O-N 2.89Å; K849-S852 VanDerWaalsContact O-N 3.13Å; K849-F853 PolarHBondContact O-N 3.2Å
850	E	93.6	Very high	93	Very high	47 Å²	47	41.3 Å²	41.3	22%	0.22	20%	0.2	C	C	.	.	H	α-helix	trans	-52.2	-48.7	-178.8	-179	-172.8	113.4	0	0	113.1	P478 Y637 R639 F853 E854	P478-E850 HydrophobicContact CG-CB 4.31Å; P478-E850 HydrophobicContact CG-CG 4.41Å; Y637-E850 HydrophobicContact CE1-CG 3.98Å; R639-E850 IonicContact CZ-OE1 3.1Å; R639-E850 IonicContact CZ-OE2 2.76Å; R639-E850 IonicContact NH1-OE1 3.91Å; R639-E850 IonicContact NH1-OE2 3.34Å; R639-E850 PolarHBondContact NH1-OE2 2.82Å; R639-E850 IonicContact NH2-OE1 2.69Å; R639-E850 PolarHBondContact NH2-OE1 3.29Å; R639-E850 IonicContact NH2-OE2 3.14Å; R639-E850 PolarHBondContact NH2-OE2 2.88Å; R639-E850 VanDerWaalsContact NH2-OE2 3.08Å; E850-F853 WeakPolarHBondContact O-CB 3.4Å; E850-F853 PolarHBondContact O-N 3.4Å; E850-E854 WeakPolarHBondContact O-CG 3.31Å; E850-E854 PolarHBondContact O-N 3.3Å
851	H	92.7	Very high	93.1	Very high	29 Å²	29	41 Å²	41	13%	0.134	20%	0.198	C	C	.	.	H	α-helix	trans	-76	-22.6	-178.3	48.4	-89.7	0	0	0	113.5	R579 E583 A584 M585 K849 V855	R579-H851 PolarHBondContact NH1-NE2 3.31Å; E583-H851 IonicContact OE1-NE2 3.69Å; E583-H851 PolarHBondContact OE1-NE2 2.73Å; A584-H851 CarbonylContact O-C 3.56Å; M585-H851 HydrophobicContact CB-CB 3.75Å; K849-H851 VanDerWaalsContact C-N 3.35Å; K849-H851 PolarHBondContact O-N 2.8Å; H851-V855 WeakPolarHBondContact O-CG2 3.44Å; H851-V855 PolarHBondContact O-N 3.48Å
852	S	94.3	Very high	93.2	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-47	164.2	-66.1	0	0	0	0	110	D847 K849 E854 V855 S856	D847-S852 PolarHBondContact OD1-OG 2.78Å; D847-S852 VanDerWaalsContact OD1-OG 3.04Å; K849-S852 WeakPolarHBondContact O-CB 3.27Å; K849-S852 PolarHBondContact O-N 2.89Å; K849-S852 VanDerWaalsContact O-N 3.13Å; S852-E854 VanDerWaalsContact C-N 3.32Å; S852-E854 PolarHBondContact O-N 3.06Å; S852-V855 PolarHBondContact O-N 2.9Å; S852-V855 VanDerWaalsContact O-N 3.14Å; S852-S856 WeakPolarHBondContact O-CB 3.4Å; S852-S856 PolarHBondContact O-N 2.92Å; S852-S856 PolarHBondContact O-OG 2.8Å
853	F	95.8	Very high	93.4	Very high	2 Å²	2	35 Å²	35	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-41.3	175.9	160.5	-105.9	0	0	0	112.5	L468 L475 Y476 I477 P478 F481 I635 Y637 K849 E850 V855 S856 L857	L468-F853 HydrophobicContact CD1-CE2 4.13Å; L468-F853 HydrophobicContact CD1-CZ 4.04Å; L475-F853 HydrophobicContact CD1-CD2 4.08Å; L475-F853 HydrophobicContact CD2-CD2 3.98Å; L475-F853 HydrophobicContact CD2-CE2 3.89Å; L475-F853 HydrophobicContact CG-CD2 4.03Å; L475-F853 HydrophobicContact CG-CE2 4.38Å; Y476-F853 HydrophobicContact CD1-CB 4.34Å; Y476-F853 WeakPolarHBondContact O-CD2 3.3Å; I477-F853 HydrophobicContact CB-CE2 4.35Å; I477-F853 HydrophobicContact CG1-CD2 4.4Å; I477-F853 HydrophobicContact CG1-CE2 3.99Å; I477-F853 HydrophobicContact CG2-CE2 4.15Å; I477-F853 HydrophobicContact CG2-CZ 4.21Å; P478-F853 VanDerWaalsContact CD-CG 3.46Å; P478-F853 HydrophobicContact CG-CB 4.29Å; P478-F853 HydrophobicContact CG-CD1 3.72Å; P478-F853 HydrophobicContact CG-CE1 4.28Å; P478-F853 HydrophobicContact CG-CG 4.12Å; F481-F853 HydrophobicContact CB-CE1 4.5Å; F481-F853 AromaticContact CD2-CE1 3.92Å; F481-F853 HydrophobicContact CD2-CE1 3.92Å; F481-F853 AromaticContact CD2-CZ 3.89Å; F481-F853 HydrophobicContact CD2-CZ 3.89Å; F481-F853 HydrophobicContact CE2-CZ 4.19Å; F481-F853 HydrophobicContact CG-CE1 4.26Å; F481-F853 HydrophobicContact CG-CZ 4.1Å; I635-F853 HydrophobicContact CG2-CE1 3.95Å; Y637-F853 HydrophobicContact CE1-CE1 4.4Å; Y637-F853 WeakPolarHBondContact OH-CD1 3.42Å; K849-F853 PolarHBondContact O-N 3.2Å; E850-F853 WeakPolarHBondContact O-CB 3.4Å; E850-F853 PolarHBondContact O-N 3.4Å; F853-V855 PolarHBondContact O-N 2.9Å; F853-S856 PolarHBondContact O-N 2.77Å; F853-L857 HydrophobicContact CE1-CD2 4.49Å; F853-L857 HydrophobicContact CE2-CB 4.4Å; F853-L857 HydrophobicContact CE2-CD2 4.19Å; F853-L857 HydrophobicContact CZ-CD2 3.89Å; F853-L857 WeakPolarHBondContact O-CB 3.47Å; F853-L857 PolarHBondContact O-N 3.09Å
854	E	96.2	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-44.6	174.6	-67.5	175.8	148.9	0	0	112.9	K535 I635 Y637 V656 E850 S852 F858	K535-E854 WeakPolarHBondContact CD-OE2 3.26Å; K535-E854 IonicContact NZ-OE1 2.66Å; K535-E854 PolarHBondContact NZ-OE1 3.36Å; K535-E854 IonicContact NZ-OE2 2.66Å; K535-E854 PolarHBondContact NZ-OE2 3.17Å; I635-E854 HydrophobicContact CD1-CB 4.28Å; I635-E854 HydrophobicContact CD1-CG 4Å; Y637-E854 WeakPolarHBondContact OH-CG 3.34Å; V656-E854 WeakPolarHBondContact CG1-OE1 3.28Å; V656-E854 WeakPolarHBondContact CG2-OE1 3.22Å; E850-E854 WeakPolarHBondContact O-CG 3.31Å; E850-E854 PolarHBondContact O-N 3.3Å; S852-E854 VanDerWaalsContact C-N 3.32Å; S852-E854 PolarHBondContact O-N 3.06Å; E854-F858 WeakPolarHBondContact O-CB 3.46Å; E854-F858 PolarHBondContact O-N 2.96Å
855	V	96.6	Very high	94	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-69.8	-43.3	179.7	170.5	0	0	0	0	111.2	M537 V576 M585 A586 L840 H851 S852 F853 F858 A859	M537-V855 HydrophobicContact CE-CG1 3.99Å; M537-V855 HydrophobicContact SD-CG2 4.25Å; V576-V855 HydrophobicContact CG1-CG1 4.48Å; M585-V855 VanDerWaalsContact C-CG2 3.4Å; A586-V855 HydrophobicContact CB-CG2 4.14Å; L840-V855 HydrophobicContact CD1-CG1 4.17Å; L840-V855 HydrophobicContact CD2-CG1 3.78Å; L840-V855 HydrophobicContact CG-CG1 4.39Å; H851-V855 WeakPolarHBondContact O-CG2 3.44Å; H851-V855 PolarHBondContact O-N 3.48Å; S852-V855 PolarHBondContact O-N 2.9Å; S852-V855 VanDerWaalsContact O-N 3.14Å; F853-V855 PolarHBondContact O-N 2.9Å; V855-F858 PolarHBondContact O-N 2.75Å; V855-A859 WeakPolarHBondContact O-CB 3.49Å; V855-A859 PolarHBondContact O-N 2.61Å
856	S	96.1	Very high	94.5	Very high	11 Å²	11	20.6 Å²	20.6	8%	0.077	10%	0.1	C	C	.	.	H	α-helix	trans	-67.4	-40.9	177.4	-71.7	0	0	0	0	112.6	S852 F853 F858 A859 E860	S852-S856 WeakPolarHBondContact O-CB 3.4Å; S852-S856 PolarHBondContact O-N 2.92Å; S852-S856 PolarHBondContact O-OG 2.8Å; F853-S856 PolarHBondContact O-N 2.77Å; S856-F858 VanDerWaalsContact C-N 3.34Å; S856-A859 WeakPolarHBondContact O-CB 3.43Å; S856-A859 PolarHBondContact O-N 2.86Å; S856-A859 VanDerWaalsContact O-N 3.15Å; S856-E860 PolarHBondContact O-N 3.32Å
857	L	96.4	Very high	94.9	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-64.8	-39.7	174.5	-178	60.4	0	0	0	110.9	L468 Y472 A484 I635 F853 A859 L861	L468-L857 HydrophobicContact CD2-CD1 3.73Å; Y472-L857 HydrophobicContact CD2-CD1 4.5Å; Y472-L857 HydrophobicContact CE2-CD1 3.8Å; A484-L857 HydrophobicContact CB-CD2 4.4Å; I635-L857 HydrophobicContact CD1-CD2 3.94Å; I635-L857 HydrophobicContact CG1-CD2 4.12Å; F853-L857 HydrophobicContact CE1-CD2 4.49Å; F853-L857 HydrophobicContact CE2-CB 4.4Å; F853-L857 HydrophobicContact CE2-CD2 4.19Å; F853-L857 HydrophobicContact CZ-CD2 3.89Å; F853-L857 WeakPolarHBondContact O-CB 3.47Å; F853-L857 PolarHBondContact O-N 3.09Å; L857-A859 VanDerWaalsContact C-N 3.34Å; L857-L861 HydrophobicContact CD1-CD1 4.13Å; L857-L861 HydrophobicContact CD1-CG 4.25Å; L857-L861 HydrophobicContact CG-CD1 3.97Å; L857-L861 WeakPolarHBondContact O-CB 3.14Å; L857-L861 WeakPolarHBondContact O-CD1 3.44Å; L857-L861 WeakPolarHBondContact O-CG 3.42Å; L857-L861 PolarHBondContact O-N 2.98Å
858	F	97.6	Very high	95.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.7	-44.5	169.9	175.8	-86.2	0	0	0	111.9	M537 F574 F632 L658 E854 V855 S856 L861 F862	M537-F858 HydrophobicContact CB-CD1 4.02Å; M537-F858 HydrophobicContact CB-CD2 4.13Å; M537-F858 HydrophobicContact CB-CE1 3.62Å; M537-F858 HydrophobicContact CB-CE2 3.73Å; M537-F858 HydrophobicContact CB-CG 4.27Å; M537-F858 HydrophobicContact CB-CZ 3.48Å; M537-F858 VanDerWaalsContact CB-CZ 3.48Å; M537-F858 HydrophobicContact CE-CD1 3.54Å; M537-F858 HydrophobicContact CE-CE1 3.94Å; M537-F858 HydrophobicContact CE-CG 4.23Å; M537-F858 HydrophobicContact CG-CB 4.41Å; M537-F858 HydrophobicContact CG-CD1 3.73Å; M537-F858 HydrophobicContact CG-CD2 3.81Å; M537-F858 HydrophobicContact CG-CE1 3.9Å; M537-F858 HydrophobicContact CG-CE2 3.97Å; M537-F858 HydrophobicContact CG-CG 3.7Å; M537-F858 HydrophobicContact CG-CZ 4.02Å; M537-F858 HydrophobicContact SD-CD1 4.46Å; F574-F858 HydrophobicContact CD1-CE1 4.03Å; F574-F858 HydrophobicContact CD1-CZ 4.47Å; F574-F858 AromaticContact CE1-CE1 3.62Å; F574-F858 HydrophobicContact CE1-CE1 3.62Å; F574-F858 AromaticContact CE1-CZ 3.89Å; F574-F858 HydrophobicContact CE1-CZ 3.89Å; F574-F858 HydrophobicContact CE2-CE1 4.23Å; F574-F858 AromaticContact CZ-CE1 3.74Å; F574-F858 HydrophobicContact CZ-CE1 3.74Å; F574-F858 HydrophobicContact CZ-CZ 4.27Å; F632-F858 HydrophobicContact CB-CE2 4.35Å; F632-F858 AromaticContact CD1-CD2 3.44Å; F632-F858 HydrophobicContact CD1-CD2 3.44Å; F632-F858 VanDerWaalsContact CD1-CD2 3.44Å; F632-F858 AromaticContact CD1-CE2 3.42Å; F632-F858 HydrophobicContact CD1-CE2 3.42Å; F632-F858 VanDerWaalsContact CD1-CE2 3.42Å; F632-F858 HydrophobicContact CD1-CZ 4.49Å; F632-F858 HydrophobicContact CD2-CE2 4.3Å; F632-F858 AromaticContact CE1-CD2 3.73Å; F632-F858 HydrophobicContact CE1-CD2 3.73Å; F632-F858 AromaticContact CE1-CE2 3.71Å; F632-F858 HydrophobicContact CE1-CE2 3.71Å; F632-F858 HydrophobicContact CE1-CG 4.47Å; F632-F858 HydrophobicContact CE1-CZ 4.44Å; F632-F858 HydrophobicContact CG-CD2 4.19Å; F632-F858 AromaticContact CG-CE2 3.76Å; F632-F858 HydrophobicContact CG-CE2 3.76Å; F632-F858 HydrophobicContact CZ-CE2 4.3Å; L658-F858 HydrophobicContact CD1-CB 3.93Å; L658-F858 HydrophobicContact CD1-CD2 4.32Å; E854-F858 WeakPolarHBondContact O-CB 3.46Å; E854-F858 PolarHBondContact O-N 2.96Å; V855-F858 PolarHBondContact O-N 2.75Å; S856-F858 VanDerWaalsContact C-N 3.34Å; F858-L861 PolarHBondContact O-N 3.29Å; F858-F862 HydrophobicContact CE1-CB 4.2Å; F858-F862 HydrophobicContact CE1-CD2 4.28Å; F858-F862 HydrophobicContact CE1-CG 4.4Å; F858-F862 AromaticContact CZ-CD2 3.98Å; F858-F862 HydrophobicContact CZ-CD2 3.98Å; F858-F862 VanDerWaalsContact O-CB 3.32Å; F858-F862 WeakPolarHBondContact O-CB 3.47Å; F858-F862 PolarHBondContact O-N 2.74Å
859	A	97.3	Very high	95.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.1	-43.9	-179.5	0	0	0	0	0	111.9	L837 L840 L841 V855 S856 L857 F862 N863	L837-A859 HydrophobicContact CD1-CB 4.02Å; L837-A859 WeakPolarHBondContact CD1-O 3.47Å; L840-A859 HydrophobicContact CB-CB 3.65Å; L841-A859 HydrophobicContact CD2-CB 3.98Å; L841-A859 HydrophobicContact CG-CB 4.26Å; V855-A859 WeakPolarHBondContact O-CB 3.49Å; V855-A859 PolarHBondContact O-N 2.61Å; S856-A859 WeakPolarHBondContact O-CB 3.43Å; S856-A859 PolarHBondContact O-N 2.86Å; S856-A859 VanDerWaalsContact O-N 3.15Å; L857-A859 VanDerWaalsContact C-N 3.34Å; A859-F862 PolarHBondContact O-N 3.48Å; A859-N863 VanDerWaalsContact O-CB 3.22Å; A859-N863 WeakPolarHBondContact O-CB 3.35Å; A859-N863 PolarHBondContact O-N 3.35Å
860	E	96	Very high	95.5	Very high	23 Å²	23	8 Å²	8	11%	0.107	4%	0.039	C	C	.	.	H	α-helix	trans	-63.7	-45.1	174.2	-72	-75.8	-150.7	0	0	112.1	Y472 L841 Y843 S856 F862 N863 E864	Y472-E860 HydrophobicContact CD1-CB 4.16Å; Y472-E860 HydrophobicContact CD1-CG 3.77Å; Y472-E860 WeakPolarHBondContact CD1-OE1 3.27Å; Y472-E860 HydrophobicContact CE1-CB 3.6Å; Y472-E860 HydrophobicContact CE1-CG 3.75Å; Y472-E860 HydrophobicContact CE2-CB 4.49Å; Y472-E860 HydrophobicContact CG-CG 4.36Å; L841-E860 HydrophobicContact CD2-CB 4.47Å; L841-E860 HydrophobicContact CD2-CG 3.88Å; L841-E860 WeakPolarHBondContact CD2-OE2 3.41Å; Y843-E860 VanDerWaalsContact OH-CD 3.3Å; Y843-E860 WeakPolarHBondContact OH-CG 3.08Å; Y843-E860 PolarHBondContact OH-OE1 3.34Å; S856-E860 PolarHBondContact O-N 3.32Å; E860-F862 VanDerWaalsContact C-N 3.32Å; E860-F862 PolarHBondContact O-N 2.92Å; E860-N863 CarbonylContact O-C 3.59Å; E860-N863 WeakPolarHBondContact O-CB 3.37Å; E860-N863 PolarHBondContact O-N 2.86Å; E860-N863 PolarHBondContact OE2-ND2 3.06Å; E860-E864 WeakPolarHBondContact O-CB 3.35Å; E860-E864 WeakPolarHBondContact O-CG 3.17Å; E860-E864 PolarHBondContact O-N 2.76Å
861	L	96.1	Very high	95.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66.3	-33.9	179	-67	170.7	0	0	0	112.6	F486 F632 A633 L857 F858 M865	F486-L861 HydrophobicContact CD1-CD1 3.62Å; F486-L861 HydrophobicContact CD1-CD2 3.76Å; F486-L861 HydrophobicContact CD1-CG 4.36Å; F486-L861 HydrophobicContact CD2-CD2 3.65Å; F486-L861 HydrophobicContact CE1-CD1 3.55Å; F486-L861 HydrophobicContact CE1-CD2 3.63Å; F486-L861 HydrophobicContact CE1-CG 4.19Å; F486-L861 HydrophobicContact CE2-CD2 3.5Å; F486-L861 HydrophobicContact CG-CD1 4.36Å; F486-L861 HydrophobicContact CG-CD2 3.79Å; F486-L861 HydrophobicContact CZ-CD1 4.23Å; F486-L861 HydrophobicContact CZ-CD2 3.5Å; F486-L861 VanDerWaalsContact CZ-CD2 3.5Å; F486-L861 HydrophobicContact CZ-CG 4.4Å; F632-L861 HydrophobicContact CE1-CB 3.74Å; F632-L861 HydrophobicContact CZ-CB 4.35Å; A633-L861 HydrophobicContact CB-CD1 3.99Å; L857-L861 HydrophobicContact CD1-CD1 4.13Å; L857-L861 HydrophobicContact CD1-CG 4.25Å; L857-L861 HydrophobicContact CG-CD1 3.97Å; L857-L861 WeakPolarHBondContact O-CB 3.14Å; L857-L861 WeakPolarHBondContact O-CD1 3.44Å; L857-L861 WeakPolarHBondContact O-CG 3.42Å; L857-L861 PolarHBondContact O-N 2.98Å; F858-L861 PolarHBondContact O-N 3.29Å; L861-M865 WeakPolarHBondContact O-CB 3.21Å; L861-M865 PolarHBondContact O-N 3.14Å
862	F	96.9	Very high	95.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-70.2	-39.5	172.3	-164.8	-87.3	0	0	0	111.6	F498 L539 I572 F574 F632 L660 L837 F858 A859 E860 M865 L866	F498-F862 HydrophobicContact CE1-CZ 4.35Å; L539-F862 HydrophobicContact CD1-CZ 4.26Å; I572-F862 HydrophobicContact CG2-CE1 4.03Å; F574-F862 HydrophobicContact CE1-CD2 4.5Å; F574-F862 HydrophobicContact CE1-CE2 4.33Å; F574-F862 HydrophobicContact CE1-CZ 4.5Å; F574-F862 HydrophobicContact CE2-CD1 4.28Å; F574-F862 HydrophobicContact CE2-CE1 4.4Å; F574-F862 AromaticContact CZ-CD1 3.82Å; F574-F862 HydrophobicContact CZ-CD1 3.82Å; F574-F862 AromaticContact CZ-CD2 3.96Å; F574-F862 HydrophobicContact CZ-CD2 3.96Å; F574-F862 AromaticContact CZ-CE1 3.77Å; F574-F862 HydrophobicContact CZ-CE1 3.77Å; F574-F862 AromaticContact CZ-CE2 3.91Å; F574-F862 HydrophobicContact CZ-CE2 3.91Å; F574-F862 AromaticContact CZ-CG 3.92Å; F574-F862 HydrophobicContact CZ-CG 3.92Å; F574-F862 AromaticContact CZ-CZ 3.82Å; F574-F862 HydrophobicContact CZ-CZ 3.82Å; F632-F862 HydrophobicContact CE1-CB 4.49Å; F632-F862 HydrophobicContact CE2-CD2 4.09Å; F632-F862 HydrophobicContact CZ-CB 4.02Å; F632-F862 AromaticContact CZ-CD2 3.98Å; F632-F862 HydrophobicContact CZ-CD2 3.98Å; F632-F862 HydrophobicContact CZ-CG 4.48Å; L660-F862 HydrophobicContact CD2-CD2 4.35Å; L660-F862 HydrophobicContact CD2-CE2 3.86Å; L837-F862 HydrophobicContact CD1-CD1 4.31Å; L837-F862 HydrophobicContact CD2-CD1 4.01Å; F858-F862 HydrophobicContact CE1-CB 4.2Å; F858-F862 HydrophobicContact CE1-CD2 4.28Å; F858-F862 HydrophobicContact CE1-CG 4.4Å; F858-F862 AromaticContact CZ-CD2 3.98Å; F858-F862 HydrophobicContact CZ-CD2 3.98Å; F858-F862 VanDerWaalsContact O-CB 3.32Å; F858-F862 WeakPolarHBondContact O-CB 3.47Å; F858-F862 PolarHBondContact O-N 2.74Å; A859-F862 PolarHBondContact O-N 3.48Å; E860-F862 VanDerWaalsContact C-N 3.32Å; E860-F862 PolarHBondContact O-N 2.92Å; F862-M865 HydrophobicContact CD2-CE 3.65Å; F862-M865 HydrophobicContact CE2-CE 3.46Å; F862-M865 VanDerWaalsContact CE2-CE 3.46Å; F862-M865 HydrophobicContact CG-CE 4.27Å; F862-M865 HydrophobicContact CZ-CE 3.93Å; F862-M865 PolarHBondContact O-N 3.22Å; F862-L866 HydrophobicContact CD1-CD1 4.06Å; F862-L866 HydrophobicContact CD1-CG 4.16Å; F862-L866 HydrophobicContact CE1-CD1 3.79Å; F862-L866 HydrophobicContact CE1-CD2 4.23Å; F862-L866 HydrophobicContact CE1-CG 3.99Å; F862-L866 WeakPolarHBondContact O-CG 3.39Å; F862-L866 PolarHBondContact O-N 2.85Å
863	N	95.8	Very high	95.4	Very high	20 Å²	20	7.4 Å²	7.4	11%	0.107	3%	0.034	C	C	.	.	H	α-helix	trans	-62	-43.5	172.1	179.2	28.7	0	0	0	111.8	L841 A859 E860 L866 Q867 Y1024	L841-N863 HydrophobicContact CD1-CB 4.09Å; L841-N863 HydrophobicContact CD2-CB 4.24Å; A859-N863 VanDerWaalsContact O-CB 3.22Å; A859-N863 WeakPolarHBondContact O-CB 3.35Å; A859-N863 PolarHBondContact O-N 3.35Å; E860-N863 CarbonylContact O-C 3.59Å; E860-N863 WeakPolarHBondContact O-CB 3.37Å; E860-N863 PolarHBondContact O-N 2.86Å; E860-N863 PolarHBondContact OE2-ND2 3.06Å; N863-L866 PolarHBondContact O-N 2.89Å; N863-Q867 VanDerWaalsContact CG-NE2 3.3Å; N863-Q867 PolarHBondContact ND2-NE2 3.38Å; N863-Q867 VanDerWaalsContact O-CG 3.3Å; N863-Q867 WeakPolarHBondContact O-CG 3.47Å; N863-Q867 PolarHBondContact O-N 2.62Å; N863-Q867 PolarHBondContact OD1-NE2 3.36Å; N863-Y1024 PolarHBondContact OD1-OH 3.06Å
864	E	95.2	Very high	95.3	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-60.6	-45.7	173.8	-77.2	-174.3	-152.8	0	0	112.1	F456 L458 R471 Y472 W488 E860 L866 Q867 R868	F456-E864 HydrophobicContact CE2-CG 4.42Å; F456-E864 WeakPolarHBondContact CE2-OE1 3.3Å; F456-E864 VanDerWaalsContact CZ-OE1 3.22Å; F456-E864 WeakPolarHBondContact CZ-OE1 3.32Å; L458-E864 HydrophobicContact CD2-CB 3.93Å; L458-E864 HydrophobicContact CD2-CG 3.64Å; R471-E864 IonicContact NH1-OE1 3.94Å; R471-E864 IonicContact NH1-OE2 2.71Å; R471-E864 PolarHBondContact NH1-OE2 3.3Å; Y472-E864 WeakPolarHBondContact CE1-OE1 3.35Å; Y472-E864 PolarHBondContact OH-OE1 3Å; W488-E864 HydrophobicContact CH2-CB 4.37Å; W488-E864 HydrophobicContact CZ2-CB 4.1Å; E860-E864 WeakPolarHBondContact O-CB 3.35Å; E860-E864 WeakPolarHBondContact O-CG 3.17Å; E860-E864 PolarHBondContact O-N 2.76Å; E864-L866 VanDerWaalsContact C-N 3.34Å; E864-L866 PolarHBondContact O-N 2.8Å; E864-Q867 PolarHBondContact O-N 3.24Å; E864-R868 VanDerWaalsContact O-CB 3.31Å; E864-R868 WeakPolarHBondContact O-CB 3.37Å; E864-R868 PolarHBondContact O-N 2.98Å
865	M	95.2	Very high	95.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-57.2	-46.1	174.6	-176.4	-174.1	69.5	0	0	111.8	W488 F492 F498 F632 L861 F862 R868 D869	W488-M865 HydrophobicContact CD2-CB 4.22Å; W488-M865 HydrophobicContact CE3-CB 3.62Å; W488-M865 HydrophobicContact CE3-CG 3.67Å; W488-M865 HydrophobicContact CE3-SD 4.31Å; W488-M865 HydrophobicContact CH2-CB 4.11Å; W488-M865 VanDerWaalsContact CZ3-CA 3.48Å; W488-M865 HydrophobicContact CZ3-CB 3.55Å; W488-M865 HydrophobicContact CZ3-CG 3.78Å; F492-M865 HydrophobicContact CB-SD 4.22Å; F492-M865 HydrophobicContact CD2-SD 3.35Å; F492-M865 WeakPolarHBondContact CD2-SD 3.21Å; F492-M865 HydrophobicContact CE2-SD 3.81Å; F492-M865 HydrophobicContact CG-SD 3.85Å; F498-M865 HydrophobicContact CB-CE 3.77Å; F498-M865 HydrophobicContact CB-SD 4.13Å; F498-M865 HydrophobicContact CD1-CE 4.34Å; F498-M865 HydrophobicContact CD2-CE 3.81Å; F498-M865 HydrophobicContact CD2-SD 4.42Å; F498-M865 HydrophobicContact CG-CE 3.68Å; F498-M865 HydrophobicContact CG-SD 4.48Å; F632-M865 HydrophobicContact CE2-CE 4.34Å; F632-M865 HydrophobicContact CE2-SD 3.97Å; L861-M865 WeakPolarHBondContact O-CB 3.21Å; L861-M865 PolarHBondContact O-N 3.14Å; F862-M865 HydrophobicContact CD2-CE 3.65Å; F862-M865 HydrophobicContact CE2-CE 3.46Å; F862-M865 VanDerWaalsContact CE2-CE 3.46Å; F862-M865 HydrophobicContact CG-CE 4.27Å; F862-M865 HydrophobicContact CZ-CE 3.93Å; F862-M865 PolarHBondContact O-N 3.22Å; M865-R868 PolarHBondContact O-N 2.94Å; M865-D869 WeakPolarHBondContact O-CB 3.31Å; M865-D869 VanDerWaalsContact O-CG 3.3Å; M865-D869 PolarHBondContact O-N 3.25Å
866	L	95.2	Very high	94.7	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.016	5%	0.046	C	C	.	.	H	α-helix	trans	-65.1	-45.2	177	-67.9	-172.7	0	0	0	112.5	F498 F500 I572 L837 F862 N863 E864 R868 D869 F870 Y1024	F498-L866 HydrophobicContact CD1-CD2 4.47Å; F500-L866 HydrophobicContact CE2-CD2 4.05Å; F500-L866 HydrophobicContact CZ-CD1 4.29Å; F500-L866 HydrophobicContact CZ-CD2 3.59Å; I572-L866 HydrophobicContact CD1-CD1 3.64Å; L837-L866 HydrophobicContact CD2-CD1 4Å; F862-L866 HydrophobicContact CD1-CD1 4.06Å; F862-L866 HydrophobicContact CD1-CG 4.16Å; F862-L866 HydrophobicContact CE1-CD1 3.79Å; F862-L866 HydrophobicContact CE1-CD2 4.23Å; F862-L866 HydrophobicContact CE1-CG 3.99Å; F862-L866 WeakPolarHBondContact O-CG 3.39Å; F862-L866 PolarHBondContact O-N 2.85Å; N863-L866 PolarHBondContact O-N 2.89Å; E864-L866 VanDerWaalsContact C-N 3.34Å; E864-L866 PolarHBondContact O-N 2.8Å; L866-R868 VanDerWaalsContact C-N 3.33Å; L866-R868 PolarHBondContact O-N 3.05Å; L866-D869 PolarHBondContact O-N 3.11Å; L866-F870 HydrophobicContact CB-CD2 4.08Å; L866-F870 HydrophobicContact CB-CE2 3.98Å; L866-F870 HydrophobicContact CD1-CE2 4.46Å; L866-F870 HydrophobicContact CD2-CE2 4.31Å; L866-F870 HydrophobicContact CG-CE2 4.48Å; L866-F870 WeakPolarHBondContact O-CB 3.38Å; L866-F870 WeakPolarHBondContact O-CD2 3.44Å; L866-F870 WeakPolarHBondContact O-CG 3.21Å; L866-F870 PolarHBondContact O-N 2.76Å; L866-Y1024 HydrophobicContact CB-CE1 4.49Å; L866-Y1024 HydrophobicContact CB-CE2 4.19Å; L866-Y1024 HydrophobicContact CD1-CE2 3.86Å
867	Q	95.6	Very high	94.4	Very high	9 Å²	9	10.4 Å²	10.4	4%	0.042	5%	0.047	C	C	.	.	H	α-helix	trans	-59.9	-44	177	-73	176.7	48.1	0	0	111.6	F453 S454 L458 N863 E864 G871 Y1024 F1025	F453-Q867 VanDerWaalsContact CA-OE1 3.27Å; S454-Q867 PolarHBondContact OG-NE2 3.07Å; S454-Q867 PolarHBondContact OG-OE1 2.82Å; L458-Q867 HydrophobicContact CD1-CB 3.99Å; N863-Q867 VanDerWaalsContact CG-NE2 3.3Å; N863-Q867 PolarHBondContact ND2-NE2 3.38Å; N863-Q867 VanDerWaalsContact O-CG 3.3Å; N863-Q867 WeakPolarHBondContact O-CG 3.47Å; N863-Q867 PolarHBondContact O-N 2.62Å; N863-Q867 PolarHBondContact OD1-NE2 3.36Å; E864-Q867 PolarHBondContact O-N 3.24Å; Q867-G871 PolarHBondContact O-N 2.66Å; Q867-Y1024 HydrophobicContact CG-CD1 4.24Å; Q867-Y1024 HydrophobicContact CG-CE1 3.68Å; Q867-F1025 HydrophobicContact CB-CE1 4.3Å; Q867-F1025 HydrophobicContact CB-CZ 4.43Å; Q867-F1025 HydrophobicContact CG-CE1 4.2Å
868	R	94.3	Very high	94	Very high	6 Å²	6	10.4 Å²	10.4	2%	0.023	5%	0.047	C	C	.	.	H	α-helix	trans	-60	-46.6	175.9	-172.1	-158	68.1	177.2	-2.2	111	L458 F492 L494 E864 M865 L866 Y872	L458-R868 HydrophobicContact CB-CB 4.09Å; L458-R868 HydrophobicContact CB-CG 4.24Å; L458-R868 HydrophobicContact CD1-CB 3.92Å; F492-R868 PolarHBondContact O-NH1 3.44Å; F492-R868 PolarHBondContact O-NH2 2.72Å; L494-R868 HydrophobicContact CD2-CG 3.81Å; E864-R868 VanDerWaalsContact O-CB 3.31Å; E864-R868 WeakPolarHBondContact O-CB 3.37Å; E864-R868 PolarHBondContact O-N 2.98Å; M865-R868 PolarHBondContact O-N 2.94Å; L866-R868 VanDerWaalsContact C-N 3.33Å; L866-R868 PolarHBondContact O-N 3.05Å; R868-Y872 WeakPolarHBondContact O-CB 3.44Å; R868-Y872 PolarHBondContact O-N 3.34Å
869	D	93.8	Very high	93.5	Very high	5 Å²	5	11.7 Å²	11.7	3%	0.027	6%	0.057	C	C	.	.	H	α-helix	trans	-74.1	-38.1	-175.7	-71.7	1	0	0	0	112.6	P497 F498 M865 L866 R873	P497-D869 VanDerWaalsContact CA-OD2 3.29Å; P497-D869 WeakPolarHBondContact CA-OD2 3.22Å; P497-D869 HydrophobicContact CB-CB 3.95Å; P497-D869 VanDerWaalsContact CB-CG 3.42Å; P497-D869 WeakPolarHBondContact CB-OD2 3.5Å; F498-D869 PolarHBondContact N-OD2 2.92Å; M865-D869 WeakPolarHBondContact O-CB 3.31Å; M865-D869 VanDerWaalsContact O-CG 3.3Å; M865-D869 PolarHBondContact O-N 3.25Å; L866-D869 PolarHBondContact O-N 3.11Å; D869-R873 WeakPolarHBondContact O-CB 3.35Å; D869-R873 VanDerWaalsContact O-CD 3.28Å; D869-R873 WeakPolarHBondContact O-CD 3.17Å; D869-R873 WeakPolarHBondContact O-CG 3.45Å; D869-R873 PolarHBondContact O-N 3.5Å
870	F	94.8	Very high	92.8	Very high	4 Å²	4	13 Å²	13	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-68.9	-43.7	172.6	-70.3	-50.1	0	0	0	112.1	F500 L866 Y872 R873 I874 M1020 A1021 Y1024 F1025	F500-F870 HydrophobicContact CE2-CZ 4.11Å; L866-F870 HydrophobicContact CB-CD2 4.08Å; L866-F870 HydrophobicContact CB-CE2 3.98Å; L866-F870 HydrophobicContact CD1-CE2 4.46Å; L866-F870 HydrophobicContact CD2-CE2 4.31Å; L866-F870 HydrophobicContact CG-CE2 4.48Å; L866-F870 WeakPolarHBondContact O-CB 3.38Å; L866-F870 WeakPolarHBondContact O-CD2 3.44Å; L866-F870 WeakPolarHBondContact O-CG 3.21Å; L866-F870 PolarHBondContact O-N 2.76Å; F870-Y872 VanDerWaalsContact C-N 3.32Å; F870-Y872 PolarHBondContact O-N 3.15Å; F870-R873 WeakPolarHBondContact O-CB 3.39Å; F870-R873 PolarHBondContact O-N 3.14Å; F870-I874 WeakPolarHBondContact O-CG1 3.27Å; F870-I874 PolarHBondContact O-N 3.24Å; F870-M1020 HydrophobicContact CE1-CE 3.92Å; F870-M1020 HydrophobicContact CE1-CG 4.18Å; F870-M1020 HydrophobicContact CZ-CE 4.1Å; F870-M1020 HydrophobicContact CZ-CG 4.29Å; F870-A1021 HydrophobicContact CB-CB 3.91Å; F870-A1021 HydrophobicContact CD1-CB 3.71Å; F870-A1021 HydrophobicContact CG-CB 4.2Å; F870-Y1024 AromaticContact CD2-CD1 3.98Å; F870-Y1024 HydrophobicContact CD2-CD1 3.98Å; F870-Y1024 AromaticContact CD2-CD2 3.54Å; F870-Y1024 HydrophobicContact CD2-CD2 3.54Å; F870-Y1024 HydrophobicContact CD2-CE2 4.14Å; F870-Y1024 AromaticContact CD2-CG 3.45Å; F870-Y1024 HydrophobicContact CD2-CG 3.45Å; F870-Y1024 VanDerWaalsContact CD2-CG 3.45Å; F870-Y1024 AromaticContact CE2-CD2 3.29Å; F870-Y1024 HydrophobicContact CE2-CD2 3.29Å; F870-Y1024 AromaticContact CE2-CE2 3.78Å; F870-Y1024 HydrophobicContact CE2-CE2 3.78Å; F870-Y1024 AromaticContact CE2-CG 3.75Å; F870-Y1024 HydrophobicContact CE2-CG 3.75Å; F870-Y1024 HydrophobicContact CG-CG 4.37Å; F870-Y1024 HydrophobicContact CZ-CD2 4.3Å; F870-F1025 HydrophobicContact CB-CE2 4.09Å; F870-F1025 HydrophobicContact CB-CZ 4.49Å
871	G	94.6	Very high	92	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.7	-38.7	173.3	0	0	0	0	0	112.4	Q867 I874 Y875	Q867-G871 PolarHBondContact O-N 2.66Å; G871-I874 WeakPolarHBondContact O-CB 3.2Å; G871-I874 PolarHBondContact O-N 3.11Å; G871-Y875 PolarHBondContact O-N 3.28Å
872	Y	93.1	Very high	90.7	Very high	15 Å²	15	19.7 Å²	19.7	6%	0.059	11%	0.109	C	C	.	.	H	α-helix	trans	-68.6	-36.1	174.2	-176.9	-108.4	0	0	0	113.2	L494 R868 F870 I874 Y875 K876 L1047 L1092	L494-Y872 HydrophobicContact CB-CD1 4.34Å; L494-Y872 HydrophobicContact CB-CD2 4.47Å; L494-Y872 HydrophobicContact CB-CE1 4.21Å; L494-Y872 HydrophobicContact CB-CE2 4.35Å; L494-Y872 HydrophobicContact CB-CG 4.47Å; L494-Y872 HydrophobicContact CD1-CD2 4.29Å; L494-Y872 HydrophobicContact CD1-CE2 4.43Å; L494-Y872 HydrophobicContact CD2-CD1 4.38Å; L494-Y872 HydrophobicContact CD2-CD2 4.21Å; L494-Y872 HydrophobicContact CD2-CG 3.94Å; L494-Y872 WeakPolarHBondContact O-CE1 3.32Å; R868-Y872 WeakPolarHBondContact O-CB 3.44Å; R868-Y872 PolarHBondContact O-N 3.34Å; F870-Y872 VanDerWaalsContact C-N 3.32Å; F870-Y872 PolarHBondContact O-N 3.15Å; Y872-I874 VanDerWaalsContact C-N 3.33Å; Y872-I874 PolarHBondContact O-N 3Å; Y872-Y875 AromaticContact CD2-CD1 3.83Å; Y872-Y875 HydrophobicContact CD2-CD1 3.83Å; Y872-Y875 AromaticContact CE2-CD1 3.73Å; Y872-Y875 HydrophobicContact CE2-CD1 3.73Å; Y872-Y875 HydrophobicContact CE2-CE1 4.14Å; Y872-Y875 WeakPolarHBondContact O-CB 3.07Å; Y872-Y875 PolarHBondContact O-N 3.4Å; Y872-K876 WeakPolarHBondContact O-CB 3.37Å; Y872-K876 PolarHBondContact O-N 3.06Å; Y872-L1047 HydrophobicContact CD2-CD1 4.3Å; Y872-L1047 HydrophobicContact CD2-CD2 4.4Å; Y872-L1047 HydrophobicContact CE2-CD2 4.28Å; Y872-L1092 WeakPolarHBondContact CE2-O 3.33Å; Y872-L1092 PolarHBondContact OH-O 3.01Å
873	R	91.9	Very high	89	Confident	52 Å²	52	23.9 Å²	23.9	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-41.6	170.1	-73.4	155.9	173.1	-114.6	0.9	111.5	D869 F870 A877 D1017 A1021	D869-R873 WeakPolarHBondContact O-CB 3.35Å; D869-R873 VanDerWaalsContact O-CD 3.28Å; D869-R873 WeakPolarHBondContact O-CD 3.17Å; D869-R873 WeakPolarHBondContact O-CG 3.45Å; D869-R873 PolarHBondContact O-N 3.5Å; F870-R873 WeakPolarHBondContact O-CB 3.39Å; F870-R873 PolarHBondContact O-N 3.14Å; R873-A877 PolarHBondContact O-N 3.01Å; R873-A877 VanDerWaalsContact O-N 3.1Å; R873-D1017 IonicContact CZ-OD1 3.06Å; R873-D1017 IonicContact NH1-OD1 3.61Å; R873-D1017 PolarHBondContact NH1-OD1 2.94Å; R873-D1017 IonicContact NH2-OD1 3.3Å; R873-A1021 HydrophobicContact CB-CB 4.15Å
874	I	93	Very high	87.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-49.2	172.9	-65.4	167.1	0	0	0	110.3	F870 G871 Y872 K876 A877 L878 L1018 A1021 F1022 F1025 L1038	F870-I874 WeakPolarHBondContact O-CG1 3.27Å; F870-I874 PolarHBondContact O-N 3.24Å; G871-I874 WeakPolarHBondContact O-CB 3.2Å; G871-I874 PolarHBondContact O-N 3.11Å; Y872-I874 VanDerWaalsContact C-N 3.33Å; Y872-I874 PolarHBondContact O-N 3Å; I874-K876 PolarHBondContact O-N 2.87Å; I874-A877 WeakPolarHBondContact O-CB 3.46Å; I874-A877 PolarHBondContact O-N 2.82Å; I874-A877 VanDerWaalsContact O-N 3.17Å; I874-L878 HydrophobicContact CG2-CD1 4.11Å; I874-L878 HydrophobicContact CG2-CG 4.2Å; I874-L878 WeakPolarHBondContact O-CG 3.47Å; I874-L878 PolarHBondContact O-N 2.77Å; I874-L1018 HydrophobicContact CG1-CD1 4.15Å; I874-A1021 HydrophobicContact CD1-CB 4.36Å; I874-A1021 HydrophobicContact CG1-CB 3.99Å; I874-F1022 HydrophobicContact CB-CZ 4.46Å; I874-F1022 HydrophobicContact CD1-CD1 3.74Å; I874-F1022 HydrophobicContact CD1-CE1 3.92Å; I874-F1022 HydrophobicContact CD1-CG 4.08Å; I874-F1022 HydrophobicContact CD1-CZ 4.42Å; I874-F1022 HydrophobicContact CG1-CD1 4.18Å; I874-F1022 HydrophobicContact CG1-CD2 4.24Å; I874-F1022 HydrophobicContact CG1-CE1 4.06Å; I874-F1022 HydrophobicContact CG1-CE2 4.14Å; I874-F1022 HydrophobicContact CG1-CG 4.27Å; I874-F1022 HydrophobicContact CG1-CZ 4.04Å; I874-F1022 HydrophobicContact CG2-CE1 3.84Å; I874-F1022 HydrophobicContact CG2-CE2 4.48Å; I874-F1022 HydrophobicContact CG2-CZ 3.71Å; I874-F1025 HydrophobicContact CD1-CD2 3.87Å; I874-F1025 HydrophobicContact CD1-CE2 3.86Å; I874-L1038 HydrophobicContact CG2-CD1 3.98Å
875	Y	91.5	Very high	85	Confident	12 Å²	12	33.1 Å²	33.1	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-52.3	-51.4	175.9	169.6	-105.4	0	0	0	112.3	G871 Y872 A877 L878 A879 L1042 L1047 L1049 L1057 N1091	G871-Y875 PolarHBondContact O-N 3.28Å; Y872-Y875 AromaticContact CD2-CD1 3.83Å; Y872-Y875 HydrophobicContact CD2-CD1 3.83Å; Y872-Y875 AromaticContact CE2-CD1 3.73Å; Y872-Y875 HydrophobicContact CE2-CD1 3.73Å; Y872-Y875 HydrophobicContact CE2-CE1 4.14Å; Y872-Y875 WeakPolarHBondContact O-CB 3.07Å; Y872-Y875 PolarHBondContact O-N 3.4Å; Y875-A877 VanDerWaalsContact C-N 3.32Å; Y875-A877 PolarHBondContact O-N 2.87Å; Y875-L878 PolarHBondContact O-N 2.87Å; Y875-A879 WeakPolarHBondContact O-CB 3.38Å; Y875-A879 PolarHBondContact O-N 3.3Å; Y875-L1042 HydrophobicContact CD2-CD2 4.16Å; Y875-L1042 HydrophobicContact CG-CD2 4.41Å; Y875-L1047 HydrophobicContact CD1-CD1 3.68Å; Y875-L1047 HydrophobicContact CD2-CD1 3.98Å; Y875-L1047 HydrophobicContact CE1-CD1 3.87Å; Y875-L1047 HydrophobicContact CE2-CD1 4.17Å; Y875-L1047 HydrophobicContact CG-CD1 3.73Å; Y875-L1049 HydrophobicContact CD2-CD1 3.95Å; Y875-L1049 HydrophobicContact CE2-CD1 3.53Å; Y875-L1057 HydrophobicContact CD2-CD1 4.06Å; Y875-L1057 HydrophobicContact CE2-CD1 3.73Å; Y875-N1091 PolarHBondContact OH-O 2.73Å; Y875-N1091 VanDerWaalsContact OH-O 3.11Å
876	K	89.2	Confident	83.1	Confident	57 Å²	57	38.9 Å²	38.9	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-43	178.7	-178.3	174.2	170.9	174.2	0	111.6	Y872 I874 S880 E1086 I1089	Y872-K876 WeakPolarHBondContact O-CB 3.37Å; Y872-K876 PolarHBondContact O-N 3.06Å; I874-K876 PolarHBondContact O-N 2.87Å; K876-S880 WeakPolarHBondContact O-CB 3.05Å; K876-S880 PolarHBondContact O-N 3.16Å; K876-E1086 VanDerWaalsContact CE-CD 3.48Å; K876-E1086 WeakPolarHBondContact CE-OE1 3.3Å; K876-E1086 WeakPolarHBondContact CE-OE2 3.34Å; K876-E1086 IonicContact NZ-OE1 3.6Å; K876-E1086 PolarHBondContact NZ-OE1 3.47Å; K876-E1086 IonicContact NZ-OE2 3.75Å; K876-E1086 PolarHBondContact NZ-OE2 2.86Å; K876-I1089 HydrophobicContact CG-CD1 3.76Å
877	A	89.2	Confident	81.3	Confident	10 Å²	10	46.8 Å²	46.8	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-45.8	175.4	0	0	0	0	0	112.1	R873 I874 Y875 S880 L1018	R873-A877 PolarHBondContact O-N 3.01Å; R873-A877 VanDerWaalsContact O-N 3.1Å; I874-A877 WeakPolarHBondContact O-CB 3.46Å; I874-A877 PolarHBondContact O-N 2.82Å; I874-A877 VanDerWaalsContact O-N 3.17Å; Y875-A877 VanDerWaalsContact C-N 3.32Å; Y875-A877 PolarHBondContact O-N 2.87Å; A877-S880 PolarHBondContact O-N 3.39Å; A877-S880 PolarHBondContact O-OG 3.22Å; A877-L1018 HydrophobicContact CB-CD1 3.64Å; A877-L1018 HydrophobicContact CB-CD2 3.65Å; A877-L1018 HydrophobicContact CB-CG 4.3Å
878	L	88.4	Confident	79.2	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-68.5	-36.5	179.7	-62.1	-169.1	0	0	0	113	I874 Y875 L881 L1038 L1058 P1061 L1072	I874-L878 HydrophobicContact CG2-CD1 4.11Å; I874-L878 HydrophobicContact CG2-CG 4.2Å; I874-L878 WeakPolarHBondContact O-CG 3.47Å; I874-L878 PolarHBondContact O-N 2.77Å; Y875-L878 PolarHBondContact O-N 2.87Å; L878-L881 HydrophobicContact CD2-CD1 4.12Å; L878-L881 WeakPolarHBondContact O-CB 3.3Å; L878-L881 PolarHBondContact O-N 2.91Å; L878-L1038 HydrophobicContact CD1-CD2 4.3Å; L878-L1058 HydrophobicContact CD1-CD2 3.67Å; L878-P1061 HydrophobicContact CD1-CG 4.29Å; L878-P1061 HydrophobicContact CD2-CB 3.95Å; L878-P1061 HydrophobicContact CD2-CG 3.74Å; L878-L1072 HydrophobicContact CD2-CD1 4.09Å
879	A	85.9	Confident	77.3	Confident	26 Å²	26	57.1 Å²	57.1	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-37.3	174.2	0	0	0	0	0	112.2	Y875 L881 L1057 I1089	Y875-A879 WeakPolarHBondContact O-CB 3.38Å; Y875-A879 PolarHBondContact O-N 3.3Å; A879-L881 PolarHBondContact O-N 2.76Å; A879-L1057 HydrophobicContact CB-CD2 4.17Å; A879-I1089 HydrophobicContact CB-CG2 4.22Å
880	S	82.6	Confident	75.8	Confident	29 Å²	29	63.5 Å²	63.5	20%	0.203	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-16.1	178.7	77.6	0	0	0	0	114.9	K876 A877 L1084	K876-S880 WeakPolarHBondContact O-CB 3.05Å; K876-S880 PolarHBondContact O-N 3.16Å; A877-S880 PolarHBondContact O-N 3.39Å; A877-S880 PolarHBondContact O-OG 3.22Å; S880-L1084 WeakPolarHBondContact OG-CD2 3.11Å
881	L	80.3	Confident	74.4	Confident	51 Å²	51	69.5 Å²	69.5	27%	0.267	35%	0.345	S	S	.	.	S	Bend	trans	-64.7	126.2	178.5	-64.2	176.5	0	0	0	109.6	L878 A879 K1060	L878-L881 HydrophobicContact CD2-CD1 4.12Å; L878-L881 WeakPolarHBondContact O-CB 3.3Å; L878-L881 PolarHBondContact O-N 2.91Å; A879-L881 PolarHBondContact O-N 2.76Å; L881-K1060 HydrophobicContact CB-CD 4.06Å; L881-K1060 HydrophobicContact CD1-CB 4.39Å; L881-K1060 PolarHBondContact O-NZ 2.75Å
882	P	69.4	Low	73.2	Confident	112 Å²	112	74.8 Å²	74.8	73%	0.727	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-57.9	154.2	179.7	22.6	-33	0	0	0	111.9	R884 K1060	P882-R884 PolarHBondContact O-N 3.42Å; P882-K1060 WeakPolarHBondContact O-CD 3.37Å; P882-K1060 VanDerWaalsContact O-CE 3.31Å; P882-K1060 WeakPolarHBondContact O-CE 3.41Å; P882-K1060 PolarHBondContact O-NZ 2.97Å
883	A	60.1	Low	72	Confident	88 Å²	88	80.9 Å²	80.9	73%	0.727	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-60.9	136.3	177.3	0	0	0	0	0	110.6	D885	A883-D885 PolarHBondContact O-N 3.46Å
884	R	55.3	Low	71.1	Confident	118 Å²	118	87.6 Å²	87.6	45%	0.445	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-70.5	117.6	166.7	-82.7	-168.3	-173.5	171.6	12.1	107.5	P882 E886 E889 K1060	P882-R884 PolarHBondContact O-N 3.42Å; R884-E886 PolarHBondContact O-N 3.47Å; R884-E886 VanDerWaalsContact O-N 3.15Å; R884-E889 WeakPolarHBondContact CD-OE2 3.49Å; R884-E889 IonicContact CZ-OE1 3.23Å; R884-E889 IonicContact NH1-OE1 2.72Å; R884-E889 PolarHBondContact NH1-OE1 2.91Å; R884-K1060 HydrophobicContact CG-CG 4.27Å; R884-K1060 PolarHBondContact NH2-O 3.32Å
885	D	52.4	Low	70.1	Confident	97 Å²	97	91.4 Å²	91.4	52%	0.519	45%	0.445	S	S	.	.			trans	-68.2	106.5	170.6	-179.3	-1	0	0	0	108.5	A883 K887 K888 E889	A883-D885 PolarHBondContact O-N 3.46Å; D885-K887 PolarHBondContact O-N 2.81Å; D885-K887 PolarHBondContact OD1-N 3.04Å; D885-K888 HydrophobicContact CB-CB 4.47Å; D885-K888 WeakPolarHBondContact O-CB 3.23Å; D885-K888 PolarHBondContact O-N 2.92Å; D885-E889 PolarHBondContact O-N 3.47Å
886	E	54.9	Low	69.1	Low	121 Å²	121	93.5 Å²	93.5	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-53.1	-29.9	-174.1	-67.4	-169.5	-169.7	0	0	113.2	R884 K888 E889 K890	R884-E886 PolarHBondContact O-N 3.47Å; R884-E886 VanDerWaalsContact O-N 3.15Å; E886-K888 PolarHBondContact O-N 3.2Å; E886-E889 PolarHBondContact O-N 3.02Å; E886-K890 WeakPolarHBondContact O-CB 3.34Å; E886-K890 WeakPolarHBondContact O-CG 3.42Å; E886-K890 PolarHBondContact O-N 2.83Å; E886-K890 IonicContact OE2-NZ 2.72Å; E886-K890 PolarHBondContact OE2-NZ 3.42Å
887	K	56.7	Low	68.5	Low	169 Å²	169	95.3 Å²	95.3	74%	0.735	48%	0.478	S	S	*	.	H	α-helix	trans	-62.2	-36.2	178	-65.3	172.9	-179.4	171.7	0	111.2	D885 K891	D885-K887 PolarHBondContact O-N 2.81Å; D885-K887 PolarHBondContact OD1-N 3.04Å; K887-K891 WeakPolarHBondContact O-CB 3.44Å; K887-K891 PolarHBondContact O-N 3.43Å
888	K	52.8	Low	68	Low	147 Å²	147	101.6 Å²	101.6	64%	0.639	50%	0.503	S	S	*	.	H	α-helix	trans	-76.9	-32.8	-179.9	-157.9	172.1	-172.9	175.5	0	111.9	D885 E886 L892	D885-K888 HydrophobicContact CB-CB 4.47Å; D885-K888 WeakPolarHBondContact O-CB 3.23Å; D885-K888 PolarHBondContact O-N 2.92Å; E886-K888 PolarHBondContact O-N 3.2Å; K888-L892 WeakPolarHBondContact O-CB 3.1Å; K888-L892 WeakPolarHBondContact O-CG 3.2Å; K888-L892 PolarHBondContact O-N 3.27Å
889	E	53.6	Low	67.5	Low	85 Å²	85	108.4 Å²	108.4	40%	0.397	53%	0.533	S	S	.	.	H	α-helix	trans	-75.7	-44.5	175.9	-173.8	148.3	-131	0	0	112.3	R884 D885 E886 K891 L892 K893	R884-E889 WeakPolarHBondContact CD-OE2 3.49Å; R884-E889 IonicContact CZ-OE1 3.23Å; R884-E889 IonicContact NH1-OE1 2.72Å; R884-E889 PolarHBondContact NH1-OE1 2.91Å; D885-E889 PolarHBondContact O-N 3.47Å; E886-E889 PolarHBondContact O-N 3.02Å; E889-K891 PolarHBondContact O-N 3.32Å; E889-L892 PolarHBondContact O-N 2.77Å; E889-K893 WeakPolarHBondContact O-CB 3.13Å; E889-K893 PolarHBondContact O-N 3.14Å
890	K	61.8	Low	67	Low	138 Å²	138	110.5 Å²	110.5	60%	0.6	54%	0.541	S	S	*	.	H	α-helix	trans	-58.1	-35	169	-75.8	163.2	176.8	156.5	0	111.6	E886 R894	E886-K890 WeakPolarHBondContact O-CB 3.34Å; E886-K890 WeakPolarHBondContact O-CG 3.42Å; E886-K890 PolarHBondContact O-N 2.83Å; E886-K890 IonicContact OE2-NZ 2.72Å; E886-K890 PolarHBondContact OE2-NZ 3.42Å; K890-R894 VanDerWaalsContact O-CB 3.27Å; K890-R894 WeakPolarHBondContact O-CB 3.39Å; K890-R894 PolarHBondContact O-N 3.44Å
891	K	66.8	Low	66.6	Low	130 Å²	130	111.3 Å²	111.3	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-68.7	-53.4	171.7	-175.8	173.9	179.4	-179.1	0	112.4	K887 E889 K893 R894 D895	K887-K891 WeakPolarHBondContact O-CB 3.44Å; K887-K891 PolarHBondContact O-N 3.43Å; E889-K891 PolarHBondContact O-N 3.32Å; K891-K893 VanDerWaalsContact C-N 3.3Å; K891-K893 PolarHBondContact O-N 3.35Å; K891-R894 CarbonylContact O-C 3.58Å; K891-R894 PolarHBondContact O-N 3.38Å; K891-R894 VanDerWaalsContact O-N 3.1Å; K891-D895 WeakPolarHBondContact CE-OD2 3.34Å; K891-D895 WeakPolarHBondContact CG-OD2 3.36Å; K891-D895 WeakPolarHBondContact O-CB 3.31Å; K891-D895 VanDerWaalsContact O-CG 3.29Å; K891-D895 PolarHBondContact O-N 2.91Å
892	L	68.5	Low	66.5	Low	112 Å²	112	113.4 Å²	113.4	59%	0.586	56%	0.557	S	S	*	*	H	α-helix	trans	-59.4	-37.9	-179.1	-80.8	165.7	0	0	0	113.1	K888 E889 A896	K888-L892 WeakPolarHBondContact O-CB 3.1Å; K888-L892 WeakPolarHBondContact O-CG 3.2Å; K888-L892 PolarHBondContact O-N 3.27Å; E889-L892 PolarHBondContact O-N 2.77Å; L892-A896 WeakPolarHBondContact O-CB 3.19Å; L892-A896 PolarHBondContact O-N 3.32Å
893	K	68.8	Low	66.9	Low	142 Å²	142	115.1 Å²	115.1	62%	0.617	55%	0.553	S	S	*	*	H	α-helix	trans	-64.1	-48.7	173.1	-174	172	179.1	178.8	0	111	E889 K891 D895 A896 D897	E889-K893 WeakPolarHBondContact O-CB 3.13Å; E889-K893 PolarHBondContact O-N 3.14Å; K891-K893 VanDerWaalsContact C-N 3.3Å; K891-K893 PolarHBondContact O-N 3.35Å; K893-D895 VanDerWaalsContact C-N 3.32Å; K893-D895 PolarHBondContact O-N 2.89Å; K893-A896 WeakPolarHBondContact O-CB 3.42Å; K893-A896 PolarHBondContact O-N 2.86Å; K893-A896 VanDerWaalsContact O-N 3.1Å; K893-D897 WeakPolarHBondContact O-CB 3.32Å; K893-D897 PolarHBondContact O-N 2.96Å
894	R	72.1	Confident	67.7	Low	193 Å²	193	118.9 Å²	118.9	73%	0.728	55%	0.548	S	S	*	.	H	α-helix	trans	-62.6	-34.7	177.7	-166.5	176.3	-168.5	171.9	3.6	113.4	K890 K891 K898	K890-R894 VanDerWaalsContact O-CB 3.27Å; K890-R894 WeakPolarHBondContact O-CB 3.39Å; K890-R894 PolarHBondContact O-N 3.44Å; K891-R894 CarbonylContact O-C 3.58Å; K891-R894 PolarHBondContact O-N 3.38Å; K891-R894 VanDerWaalsContact O-N 3.1Å; R894-K898 VanDerWaalsContact O-CB 3.23Å; R894-K898 WeakPolarHBondContact O-CB 3.34Å; R894-K898 PolarHBondContact O-N 2.99Å
895	D	70.9	Confident	68.4	Low	80 Å²	80	119.3 Å²	119.3	43%	0.428	56%	0.555	S	S	.	*	H	α-helix	trans	-71.1	-34.1	174.8	-68.5	-19.4	0	0	0	111.2	K891 K893 K899	K891-D895 WeakPolarHBondContact CE-OD2 3.34Å; K891-D895 WeakPolarHBondContact CG-OD2 3.36Å; K891-D895 WeakPolarHBondContact O-CB 3.31Å; K891-D895 VanDerWaalsContact O-CG 3.29Å; K891-D895 PolarHBondContact O-N 2.91Å; K893-D895 VanDerWaalsContact C-N 3.32Å; K893-D895 PolarHBondContact O-N 2.89Å; D895-K899 WeakPolarHBondContact O-CB 3.3Å; D895-K899 PolarHBondContact O-N 3.38Å; D895-K899 VanDerWaalsContact O-N 3.14Å
896	A	72.4	Confident	69.5	Low	57 Å²	57	119.4 Å²	119.4	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-73.1	-46.3	173.6	0	0	0	0	0	112.4	L892 K893 K898 K899 D900	L892-A896 WeakPolarHBondContact O-CB 3.19Å; L892-A896 PolarHBondContact O-N 3.32Å; K893-A896 WeakPolarHBondContact O-CB 3.42Å; K893-A896 PolarHBondContact O-N 2.86Å; K893-A896 VanDerWaalsContact O-N 3.1Å; A896-K898 VanDerWaalsContact C-N 3.3Å; A896-K898 PolarHBondContact O-N 3.18Å; A896-K899 PolarHBondContact O-N 3.28Å; A896-K899 VanDerWaalsContact O-N 3.09Å; A896-D900 PolarHBondContact O-N 2.95Å
897	D	76.2	Confident	70.4	Confident	94 Å²	94	119.3 Å²	119.3	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-59	-43	175.8	-62.3	-25.7	0	0	0	110.3	K893 K899 D900 A901	K893-D897 WeakPolarHBondContact O-CB 3.32Å; K893-D897 PolarHBondContact O-N 2.96Å; D897-K899 VanDerWaalsContact C-N 3.35Å; D897-K899 PolarHBondContact O-N 3.3Å; D897-D900 PolarHBondContact O-N 3.19Å; D897-A901 PolarHBondContact O-N 3.47Å
898	K	79.1	Confident	71	Confident	142 Å²	142	117.4 Å²	117.4	62%	0.617	54%	0.544	S	S	*	.	H	α-helix	trans	-61.2	-41.5	173.6	-174.3	-178.5	179	-169.2	0	112	R894 A896 A901 E902	R894-K898 VanDerWaalsContact O-CB 3.23Å; R894-K898 WeakPolarHBondContact O-CB 3.34Å; R894-K898 PolarHBondContact O-N 2.99Å; A896-K898 VanDerWaalsContact C-N 3.3Å; A896-K898 PolarHBondContact O-N 3.18Å; K898-A901 PolarHBondContact O-N 2.8Å; K898-E902 WeakPolarHBondContact O-CB 3.24Å; K898-E902 PolarHBondContact O-N 2.9Å
899	K	77.8	Confident	71.4	Confident	145 Å²	145	116.7 Å²	116.7	63%	0.63	54%	0.543	S	S	*	.	H	α-helix	trans	-72	-28.8	-178.4	-169.8	166.1	-172.4	166.8	0	113.3	D895 A896 D897 K903	D895-K899 WeakPolarHBondContact O-CB 3.3Å; D895-K899 PolarHBondContact O-N 3.38Å; D895-K899 VanDerWaalsContact O-N 3.14Å; A896-K899 PolarHBondContact O-N 3.28Å; A896-K899 VanDerWaalsContact O-N 3.09Å; D897-K899 VanDerWaalsContact C-N 3.35Å; D897-K899 PolarHBondContact O-N 3.3Å; K899-K903 WeakPolarHBondContact O-CB 3.37Å; K899-K903 PolarHBondContact O-N 2.89Å; K899-K903 VanDerWaalsContact O-N 3.15Å
900	D	75	Confident	71.8	Confident	71 Å²	71	119.5 Å²	119.5	38%	0.38	55%	0.554	S	S	.	*	H	α-helix	trans	-77.1	-31.6	171.9	-156.4	68.4	0	0	0	111.8	A896 D897 R904	A896-D900 PolarHBondContact O-N 2.95Å; D897-D900 PolarHBondContact O-N 3.19Å; D900-R904 WeakPolarHBondContact O-CD 3.16Å; D900-R904 WeakPolarHBondContact O-CG 3.37Å; D900-R904 PolarHBondContact O-N 2.93Å; D900-R904 VanDerWaalsContact O-N 3.16Å; D900-R904 IonicContact OD2-CZ 3.26Å; D900-R904 IonicContact OD2-NE 3.85Å; D900-R904 PolarHBondContact OD2-NE 3.13Å; D900-R904 IonicContact OD2-NH2 2.64Å; D900-R904 PolarHBondContact OD2-NH2 2.82Å
901	A	74.3	Confident	71.4	Confident	45 Å²	45	118.1 Å²	118.1	37%	0.372	55%	0.55	S	S	.	*	H	α-helix	trans	-64.7	-51.1	169.1	0	0	0	0	0	112.2	D897 K898 K903 R904 E905	D897-A901 PolarHBondContact O-N 3.47Å; K898-A901 PolarHBondContact O-N 2.8Å; A901-K903 PolarHBondContact O-N 3.28Å; A901-R904 WeakPolarHBondContact O-CA 3.09Å; A901-R904 WeakPolarHBondContact O-CB 3.3Å; A901-R904 PolarHBondContact O-N 2.92Å; A901-E905 PolarHBondContact O-N 2.91Å
902	E	77	Confident	70.7	Confident	95 Å²	95	118.7 Å²	118.7	44%	0.444	56%	0.555	S	S	.	*	H	α-helix	trans	-54.1	-39.4	175.3	-177.3	176.6	-122	0	0	111.5	K898 R904 E905 I906	K898-E902 WeakPolarHBondContact O-CB 3.24Å; K898-E902 PolarHBondContact O-N 2.9Å; E902-R904 VanDerWaalsContact C-N 3.35Å; E902-R904 PolarHBondContact O-N 3.13Å; E902-E905 PolarHBondContact O-N 2.99Å; E902-I906 HydrophobicContact CG-CD1 4.22Å; E902-I906 WeakPolarHBondContact O-CB 3.46Å; E902-I906 WeakPolarHBondContact O-CD1 3.41Å; E902-I906 VanDerWaalsContact O-CG1 3.26Å; E902-I906 WeakPolarHBondContact O-CG1 3.45Å; E902-I906 PolarHBondContact O-N 3.44Å
903	K	77.9	Confident	69.5	Low	149 Å²	149	121.4 Å²	121.4	65%	0.648	56%	0.564	S	S	*	*	H	α-helix	trans	-71.1	-24	175.2	-166.7	-173.9	174.3	-158.9	0	113.9	K899 A901 K907	K899-K903 WeakPolarHBondContact O-CB 3.37Å; K899-K903 PolarHBondContact O-N 2.89Å; K899-K903 VanDerWaalsContact O-N 3.15Å; A901-K903 PolarHBondContact O-N 3.28Å; K903-K907 PolarHBondContact O-N 3.45Å
904	R	76.4	Confident	68.4	Low	166 Å²	166	121 Å²	121	63%	0.626	57%	0.567	S	S	*	*	H	α-helix	trans	-82.7	-35.6	174.2	-68.8	163.9	-166.8	-137.9	6.7	111.7	D900 A901 E902 K907 K908	D900-R904 WeakPolarHBondContact O-CD 3.16Å; D900-R904 WeakPolarHBondContact O-CG 3.37Å; D900-R904 PolarHBondContact O-N 2.93Å; D900-R904 VanDerWaalsContact O-N 3.16Å; D900-R904 IonicContact OD2-CZ 3.26Å; D900-R904 IonicContact OD2-NE 3.85Å; D900-R904 PolarHBondContact OD2-NE 3.13Å; D900-R904 IonicContact OD2-NH2 2.64Å; D900-R904 PolarHBondContact OD2-NH2 2.82Å; A901-R904 WeakPolarHBondContact O-CA 3.09Å; A901-R904 WeakPolarHBondContact O-CB 3.3Å; A901-R904 PolarHBondContact O-N 2.92Å; E902-R904 VanDerWaalsContact C-N 3.35Å; E902-R904 PolarHBondContact O-N 3.13Å; R904-K907 PolarHBondContact O-N 3.26Å; R904-K908 PolarHBondContact O-N 2.81Å
905	E	71.6	Confident	66.9	Low	127 Å²	127	120.6 Å²	120.6	59%	0.593	57%	0.574	S	S	*	*	H	α-helix	trans	-63.8	-50	172.5	-70.5	174.5	154.7	0	0	110.4	A901 E902 K907 K908 E909	A901-E905 PolarHBondContact O-N 2.91Å; E902-E905 PolarHBondContact O-N 2.99Å; E905-K907 PolarHBondContact O-N 3.1Å; E905-K907 VanDerWaalsContact O-N 3.11Å; E905-K908 WeakPolarHBondContact O-CA 3.49Å; E905-K908 WeakPolarHBondContact O-CB 3.31Å; E905-K908 PolarHBondContact O-N 2.69Å; E905-E909 PolarHBondContact O-N 2.92Å
906	I	75.6	Confident	65.3	Low	99 Å²	99	125.8 Å²	125.8	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-59.2	-26	173.9	-67.3	165.2	0	0	0	112.6	E902 K910	E902-I906 HydrophobicContact CG-CD1 4.22Å; E902-I906 WeakPolarHBondContact O-CB 3.46Å; E902-I906 WeakPolarHBondContact O-CD1 3.41Å; E902-I906 VanDerWaalsContact O-CG1 3.26Å; E902-I906 WeakPolarHBondContact O-CG1 3.45Å; E902-I906 PolarHBondContact O-N 3.44Å; I906-K910 WeakPolarHBondContact O-CB 3.24Å
907	K	73.3	Confident	64.2	Low	119 Å²	119	128.3 Å²	128.3	52%	0.517	61%	0.607	S	S	.	*	H	α-helix	trans	-75.6	-40.5	173.2	-172.9	175.8	177.5	-70.4	0	111.6	K903 R904 E905 K910 E911	K903-K907 PolarHBondContact O-N 3.45Å; R904-K907 PolarHBondContact O-N 3.26Å; E905-K907 PolarHBondContact O-N 3.1Å; E905-K907 VanDerWaalsContact O-N 3.11Å; K907-K910 PolarHBondContact O-N 3.5Å; K907-E911 WeakPolarHBondContact CE-OE1 3.35Å; K907-E911 IonicContact NZ-OE1 3.93Å; K907-E911 PolarHBondContact NZ-OE1 3.08Å; K907-E911 IonicContact NZ-OE2 3.77Å; K907-E911 PolarHBondContact NZ-OE2 3.12Å; K907-E911 WeakPolarHBondContact O-CG 3.38Å; K907-E911 PolarHBondContact O-N 3.27Å; K907-E911 VanDerWaalsContact O-N 3.14Å
908	K	69.4	Low	62.1	Low	129 Å²	129	131 Å²	131	56%	0.561	63%	0.627	S	S	*	*	H	α-helix	trans	-66.1	-49.9	176.3	-83.5	-170.9	152.7	-132.4	0	112.9	R904 E905 K910 E911 E912	R904-K908 PolarHBondContact O-N 2.81Å; E905-K908 WeakPolarHBondContact O-CA 3.49Å; E905-K908 WeakPolarHBondContact O-CB 3.31Å; E905-K908 PolarHBondContact O-N 2.69Å; K908-K910 PolarHBondContact O-N 2.85Å; K908-K910 VanDerWaalsContact O-N 3.14Å; K908-E911 CarbonylContact O-C 3.59Å; K908-E911 WeakPolarHBondContact O-CA 3.41Å; K908-E911 PolarHBondContact O-N 3.35Å; K908-E912 PolarHBondContact O-N 2.88Å
909	E	60.9	Low	60	Low	132 Å²	132	128.1 Å²	128.1	62%	0.617	63%	0.63	S	S	*	*	H	α-helix	trans	-54.6	-37	178.1	-67.8	176.7	149	0	0	110.9	E905 E912 E913	E905-E909 PolarHBondContact O-N 2.92Å; E909-E912 PolarHBondContact O-N 3.36Å; E909-E913 PolarHBondContact O-N 2.89Å; E909-E913 VanDerWaalsContact O-N 3.07Å
910	K	61.8	Low	57.9	Low	144 Å²	144	130 Å²	130	63%	0.626	64%	0.638	S	S	*	*	H	α-helix	trans	-81.9	-9.8	178.2	-161.6	169	-175.4	-179.9	0	115.1	I906 K907 K908 I914	I906-K910 WeakPolarHBondContact O-CB 3.24Å; K907-K910 PolarHBondContact O-N 3.5Å; K908-K910 PolarHBondContact O-N 2.85Å; K908-K910 VanDerWaalsContact O-N 3.14Å; K910-I914 WeakPolarHBondContact O-CD1 3.42Å
911	E	53.3	Low	55.7	Low	110 Å²	110	136.3 Å²	136.3	51%	0.514	66%	0.656	S	S	.	*	H	α-helix	trans	-93	-29.9	168.6	-74.1	173.3	150.5	0	0	110.5	K907 K908	K907-E911 WeakPolarHBondContact CE-OE1 3.35Å; K907-E911 IonicContact NZ-OE1 3.93Å; K907-E911 PolarHBondContact NZ-OE1 3.08Å; K907-E911 IonicContact NZ-OE2 3.77Å; K907-E911 PolarHBondContact NZ-OE2 3.12Å; K907-E911 WeakPolarHBondContact O-CG 3.38Å; K907-E911 PolarHBondContact O-N 3.27Å; K907-E911 VanDerWaalsContact O-N 3.14Å; K908-E911 CarbonylContact O-C 3.59Å; K908-E911 WeakPolarHBondContact O-CA 3.41Å; K908-E911 PolarHBondContact O-N 3.35Å
912	E	51.9	Low	53.6	Low	142 Å²	142	141.3 Å²	141.3	66%	0.664	68%	0.677	S	S	*	*	H	α-helix	trans	-79.2	-22.7	176.2	-68.9	171.1	-163	0	0	113.2	K908 E909 I914	K908-E912 PolarHBondContact O-N 2.88Å; E909-E912 PolarHBondContact O-N 3.36Å; E912-I914 VanDerWaalsContact C-N 3.26Å; E912-I914 PolarHBondContact O-N 2.89Å
913	E	44.2	Very low	51.3	Low	168 Å²	168	144.5 Å²	144.5	79%	0.785	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-0.8	176.4	-158.2	179.6	-159.9	0	0	114.3	E909	E909-E913 PolarHBondContact O-N 2.89Å; E909-E913 VanDerWaalsContact O-N 3.07Å
914	I	46	Very low	49	Very low	133 Å²	133	143 Å²	143	68%	0.682	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-17.3	-169.3	-67	-179.8	0	0	0	114.3	K910 E912	K910-I914 WeakPolarHBondContact O-CD1 3.42Å; E912-I914 VanDerWaalsContact C-N 3.26Å; E912-I914 PolarHBondContact O-N 2.89Å
915	E	40.4	Very low	47	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	70%	0.699	S	S	*	*			trans	-107.5	93.1	179.5	-67.6	-161.7	135.8	0	0	113.3
916	E	37.2	Very low	45.2	Very low	189 Å²	189	145.7 Å²	145.7	88%	0.883	71%	0.713	S	S	*	*			trans	-97.6	150.5	155.1	-99.8	-142.7	134.3	0	0	111.7
917	P	49.2	Very low	43.1	Very low	110 Å²	110	147.1 Å²	147.1	71%	0.714	72%	0.717	S	S	*	*			trans	-101.3	153.9	-152	37.6	-36.4	0	0	0	115.7
918	V	32.8	Very low	41.1	Very low	151 Å²	151	146.6 Å²	146.6	92%	0.915	72%	0.717	S	S	*	*			trans	-121.5	118.6	160.4	-177.4	0	0	0	0	110
919	A	34.2	Very low	39.2	Very low	82 Å²	82	146.4 Å²	146.4	68%	0.678	72%	0.716	S	S	*	*			trans	-85.1	156.4	-165.4	0	0	0	0	0	115.2
920	K	33.4	Very low	37.7	Very low	184 Å²	184	149.1 Å²	149.1	80%	0.8	72%	0.72	S	S	*	*				-168.2	134.6	116.9	-104.4	152	-169.3	161.3	0	116.5
921	R	29.1	Very low	36.1	Very low	204 Å²	204	150.6 Å²	150.6	77%	0.77	73%	0.727	S	S	*	*			trans	80.5	109.8	146	-68.1	167.6	174.6	172.1	-3.5	120.1
922	N	29.5	Very low	35	Very low	149 Å²	149	154.7 Å²	154.7	80%	0.797	74%	0.739	S	S	*	*				77.1	139	127.5	-61.3	15.1	0	0	0	117.7
923	K	29.6	Very low	34	Very low	163 Å²	163	155 Å²	155	71%	0.709	75%	0.745	S	S	*	*			cis	-172.1	136	-2.1	163.7	-176.3	174.9	-175	0	110.6
924	D	29.8	Very low	33.2	Very low	118 Å²	118	154.7 Å²	154.7	63%	0.631	75%	0.749	S	S	*	*			trans	57.4	156	163.7	-48.3	-8.6	0	0	0	117.3
925	D	33	Very low	32.8	Very low	159 Å²	159	156.7 Å²	156.7	85%	0.85	75%	0.753	S	S	*	*			cis	-151.8	180	19.4	-95.8	-51.8	0	0	0	113
926	E	33.9	Very low	32.1	Very low	189 Å²	189	154.2 Å²	154.2	88%	0.883	75%	0.751	S	S	*	*			trans	-129	171.1	177.8	-61	-174.4	87.5	0	0	113
927	E	32.6	Very low	31.9	Very low	129 Å²	129	151.7 Å²	151.7	60%	0.603	74%	0.742	S	S	*	*			cis	-126.7	-140.1	-0.6	-149	-151	118.3	0	0	109.2	K929	E927-K929 WeakPolarHBondContact OE1-CD 3.35Å; E927-K929 WeakPolarHBondContact OE1-CE 3.33Å; E927-K929 PolarHBondContact OE1-N 3.31Å; E927-K929 IonicContact OE1-NZ 2.99Å; E927-K929 PolarHBondContact OE1-NZ 2.84Å; E927-K929 IonicContact OE2-NZ 2.73Å; E927-K929 PolarHBondContact OE2-NZ 3.5Å
928	E	31.1	Very low	31.2	Very low	109 Å²	109	155.7 Å²	155.7	51%	0.509	75%	0.748	S	S	.	*			cis	-136	170.4	6.9	-128.6	-95.3	161.4	0	0	111.5	R930	E928-R930 VanDerWaalsContact CD-NH2 3.26Å; E928-R930 IonicContact OE1-CZ 2.81Å; E928-R930 IonicContact OE1-NH2 3.82Å; E928-R930 PolarHBondContact OE1-NH2 2.71Å; E928-R930 IonicContact OE2-CZ 3.41Å; E928-R930 IonicContact OE2-NE 2.95Å; E928-R930 PolarHBondContact OE2-NE 2.95Å; E928-R930 IonicContact OE2-NH2 3.37Å; E928-R930 PolarHBondContact OE2-NH2 3.47Å
929	K	29.7	Very low	31	Very low	124 Å²	124	154.6 Å²	154.6	54%	0.539	73%	0.731	S	S	.	*			trans	-60.8	-174.3	174.5	-49.1	97.5	179.4	142.7	0	116	E927	E927-K929 WeakPolarHBondContact OE1-CD 3.35Å; E927-K929 WeakPolarHBondContact OE1-CE 3.33Å; E927-K929 PolarHBondContact OE1-N 3.31Å; E927-K929 IonicContact OE1-NZ 2.99Å; E927-K929 PolarHBondContact OE1-NZ 2.84Å; E927-K929 IonicContact OE2-NZ 2.73Å; E927-K929 PolarHBondContact OE2-NZ 3.5Å
930	R	28.7	Very low	30.7	Very low	189 Å²	189	157.7 Å²	157.7	71%	0.713	73%	0.731	S	S	*	*				110.6	89	129.3	-96.2	176.2	-91.8	-142.7	-2.2	120.6	E928	E928-R930 VanDerWaalsContact CD-NH2 3.26Å; E928-R930 IonicContact OE1-CZ 2.81Å; E928-R930 IonicContact OE1-NH2 3.82Å; E928-R930 PolarHBondContact OE1-NH2 2.71Å; E928-R930 IonicContact OE2-CZ 3.41Å; E928-R930 IonicContact OE2-NE 2.95Å; E928-R930 PolarHBondContact OE2-NE 2.95Å; E928-R930 IonicContact OE2-NH2 3.37Å; E928-R930 PolarHBondContact OE2-NH2 3.47Å
931	K	27.7	Very low	30.4	Very low	175 Å²	175	155.3 Å²	155.3	76%	0.761	72%	0.723	S	S	*	*				61.2	139.5	105.5	-156.3	-178.2	-173.1	178.9	0	121.9
932	Y	30.1	Very low	30.3	Very low	197 Å²	197	150.1 Å²	150.1	77%	0.773	72%	0.718	S	S	*	*			trans	97.7	138.5	158.1	-94.8	-63.2	0	0	0	120.8
933	D	32.8	Very low	30.3	Very low	148 Å²	148	154 Å²	154	79%	0.791	72%	0.722	S	S	*	*			trans	-76.2	155.4	171	-52	-99.1	0	0	0	114.1
934	D	27.1	Very low	30.4	Very low	161 Å²	161	153 Å²	153	86%	0.861	72%	0.724	S	S	*	*				-160	174	119.8	-158	6.9	0	0	0	111.9
935	K	36.9	Very low	30.5	Very low	175 Å²	175	156.4 Å²	156.4	76%	0.761	74%	0.736	S	S	*	*			trans	-123	126.5	-176.8	-62.1	170.7	-179.5	169.9	0	113.8
936	T	26.5	Very low	30.4	Very low	134 Å²	134	155.8 Å²	155.8	82%	0.822	73%	0.732	S	S	*	*			trans	-165.5	125.6	142	29.1	0	0	0	0	107.8
937	I	32.6	Very low	30.2	Very low	136 Å²	136	155.9 Å²	155.9	70%	0.697	73%	0.733	S	S	*	*			cis	88	120.2	47.9	-68.7	176.4	0	0	0	113.4
938	K	33.3	Very low	29.9	Very low	194 Å²	194	156.9 Å²	156.9	84%	0.843	74%	0.743	S	S	*	*			trans	76.1	151.7	170.4	-72.9	168.6	-176	178.3	0	116.5
939	K	30	Very low	29.9	Very low	127 Å²	127	160.9 Å²	160.9	55%	0.552	76%	0.761	S	S	*	*			cis	-150.3	171.7	8.4	-142.8	-167.2	155.6	-115.3	0	113.2	E941	K939-E941 WeakPolarHBondContact CE-OE1 3.48Å; K939-E941 WeakPolarHBondContact CG-OE1 3.33Å; K939-E941 IonicContact NZ-OE1 3.44Å; K939-E941 PolarHBondContact NZ-OE1 3.06Å; K939-E941 IonicContact NZ-OE2 2.78Å; K939-E941 PolarHBondContact NZ-OE2 2.97Å
940	E	27.5	Very low	29.7	Very low	148 Å²	148	162.2 Å²	162.2	69%	0.692	77%	0.774	S	S	*	*			trans	77.6	143	156.2	-71.5	165.7	-165.5	0	0	120.1
941	E	26.3	Very low	29.7	Very low	134 Å²	134	162.1 Å²	162.1	63%	0.626	78%	0.782	S	S	*	*			cis	149.6	141.6	-27	-89.3	143.1	-119.5	0	0	107.4	K939	K939-E941 WeakPolarHBondContact CE-OE1 3.48Å; K939-E941 WeakPolarHBondContact CG-OE1 3.33Å; K939-E941 IonicContact NZ-OE1 3.44Å; K939-E941 PolarHBondContact NZ-OE1 3.06Å; K939-E941 IonicContact NZ-OE2 2.78Å; K939-E941 PolarHBondContact NZ-OE2 2.97Å
942	S	28.2	Very low	29.8	Very low	95 Å²	95	156.9 Å²	156.9	66%	0.664	78%	0.778	S	S	*	*			cis	-172.4	-173.1	-5.1	54.2	0	0	0	0	109.8
943	R	28.6	Very low	29.8	Very low	231 Å²	231	153.2 Å²	153.2	87%	0.872	78%	0.781	S	S	*	*			trans	92.9	158.7	153.1	-88.8	178.3	169	144.9	-4.7	122.8
944	D	32.6	Very low	29.5	Very low	141 Å²	141	153.2 Å²	153.2	75%	0.754	79%	0.786	S	S	*	*			trans	-111.5	162.5	-167.6	-29	-109.2	0	0	0	111.5
945	E	31.4	Very low	29.7	Very low	189 Å²	189	149.7 Å²	149.7	88%	0.883	78%	0.78	S	S	*	*				175.2	175.6	122.8	-95.1	171.1	-167.2	0	0	112.3
946	D	30.8	Very low	29.2	Very low	146 Å²	146	149.4 Å²	149.4	78%	0.781	79%	0.787	S	S	*	*			trans	-74.4	166.4	-160.7	-55.8	-71.8	0	0	0	117.5
947	E	29.2	Very low	29.3	Very low	191 Å²	191	147.6 Å²	147.6	89%	0.893	79%	0.785	S	S	*	*				-166.9	168.7	124.9	-109.5	169.4	-173.2	0	0	113.6
948	N	27.8	Very low	29.3	Very low	151 Å²	151	150.4 Å²	150.4	81%	0.807	80%	0.795	S	S	*	*			trans	-131.1	177.1	175.1	-87.8	-92.8	0	0	0	109.5
949	E	29.6	Very low	29.1	Very low	193 Å²	193	149.9 Å²	149.9	90%	0.902	80%	0.796	S	S	*	*			trans	91.9	147.7	-173.1	-61.5	178.9	-169	0	0	113.4
950	D	26.9	Very low	29	Very low	151 Å²	151	154.2 Å²	154.2	81%	0.807	81%	0.81	S	S	*	*			cis	-164.6	-160	-25.7	-169.2	0.8	0	0	0	105.7
951	E	28.5	Very low	29.3	Very low	187 Å²	187	153.7 Å²	153.7	87%	0.874	81%	0.812	S	S	*	*			trans	73.4	153.5	177.6	-67.2	-159.9	177.1	0	0	116.7
952	G	28.2	Very low	30.6	Very low	66 Å²	66	151.6 Å²	151.6	68%	0.68	81%	0.81	S	S	*	*			cis	176.6	107.8	-3.4	0	0	0	0	0	112.4
953	S	30.2	Very low	30.7	Very low	119 Å²	119	154.4 Å²	154.4	83%	0.832	82%	0.817	S	S	*	*			trans	-39.8	139.1	-178.6	55.7	0	0	0	0	117.8
954	T	27.9	Very low	30.8	Very low	148 Å²	148	151.8 Å²	151.8	91%	0.908	82%	0.815	S	S	*	*			trans	-129.6	146.8	142.7	53.7	0	0	0	0	109.6
955	A	29.8	Very low	30.8	Very low	88 Å²	88	149.5 Å²	149.5	73%	0.727	82%	0.815	S	S	*	*			trans	-145.6	145.1	-176.5	0	0	0	0	0	110.6
956	N	26.9	Very low	30.7	Very low	169 Å²	169	149.1 Å²	149.1	90%	0.904	81%	0.814	S	S	*	*			trans	-175.2	173.6	145.8	-112.9	-62.8	0	0	0	113.3
957	A	30	Very low	30.8	Very low	95 Å²	95	149.7 Å²	149.7	79%	0.785	82%	0.816	S	S	*	*			trans	76.8	119.9	171.2	0	0	0	0	0	116.6
958	E	31.3	Very low	31	Very low	196 Å²	196	145.2 Å²	145.2	92%	0.916	81%	0.812	S	S	*	*			trans	-89.2	177.2	175.1	-59.1	167	115.5	0	0	111.2
959	E	29.1	Very low	31.3	Very low	183 Å²	183	146.6 Å²	146.6	86%	0.855	81%	0.814	S	S	*	*			trans	106.9	133	150.6	-157.6	164.6	-153	0	0	119.1
960	Y	28.4	Very low	31.6	Very low	218 Å²	218	144.6 Å²	144.6	86%	0.855	81%	0.809	S	S	*	*			trans	86.4	129.6	166.1	-127.3	-96.4	0	0	0	121.6
961	D	34.4	Very low	32	Very low	137 Å²	137	145.7 Å²	145.7	73%	0.733	82%	0.815	S	S	*	*			trans	-172.3	150.5	-177.2	178.1	70.9	0	0	0	107.2
962	P	52.8	Low	32.4	Very low	90 Å²	90	144 Å²	144	58%	0.584	81%	0.812	S	S	*	*			cis	-122.9	-171.9	-34.1	33.7	-16.8	0	0	0	113.5
963	L	30.7	Very low	32.8	Very low	154 Å²	154	149.1 Å²	149.1	81%	0.806	82%	0.824	S	S	*	*			trans	89.2	138.5	158.3	-75.9	166.2	0	0	0	121.8
964	E	30.3	Very low	33.2	Very low	176 Å²	176	150.8 Å²	150.8	82%	0.822	82%	0.823	S	S	*	*			trans	68.7	137.4	156.8	-69.9	-179.1	-178.2	0	0	121.7
965	A	32.1	Very low	33.6	Very low	93 Å²	93	150.6 Å²	150.6	77%	0.769	82%	0.817	S	S	*	*			trans	74.2	137.8	149.6	0	0	0	0	0	119.1
966	E	29.7	Very low	34.1	Very low	181 Å²	181	152.9 Å²	152.9	85%	0.846	82%	0.817	S	S	*	*			cis	-142.4	-167.6	-11.9	-58	-161	130.1	0	0	110.6
967	D	33.2	Very low	34.7	Very low	157 Å²	157	150.2 Å²	150.2	84%	0.84	80%	0.803	S	S	*	*			trans	-48.4	156.1	-179.7	-53	-55.7	0	0	0	117.5
968	A	34.1	Very low	35	Very low	97 Å²	97	152.7 Å²	152.7	80%	0.802	80%	0.796	S	S	*	*			trans	-144.5	120.5	154.8	0	0	0	0	0	110.4
969	E	33.9	Very low	35.2	Very low	181 Å²	181	148.9 Å²	148.9	85%	0.846	78%	0.782	S	S	*	*			trans	4.5	128.5	157.1	-67.1	150.8	-169.6	0	0	118.1
970	D	34.9	Very low	35.6	Very low	151 Å²	151	147.5 Å²	147.5	81%	0.807	78%	0.78	S	S	*	*				62.3	111.8	65.8	-75.9	-14.8	0	0	0	113.5
971	D	34.8	Very low	35.7	Very low	174 Å²	174	146.5 Å²	146.5	93%	0.93	78%	0.783	S	S	*	*			trans	-143.2	99.4	160.7	-105.6	-27	0	0	0	106
972	D	38	Very low	35.9	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	79%	0.786	S	S	*	*			trans	-94.3	129.5	169.2	-86.8	-39.7	0	0	0	108.5
973	D	35.8	Very low	35	Very low	173 Å²	173	148.1 Å²	148.1	93%	0.925	80%	0.796	S	S	*	*			trans	-114.8	74.8	163.6	-93.8	-33.4	0	0	0	108.4
974	D	40.1	Very low	35.1	Very low	154 Å²	154	147.4 Å²	147.4	82%	0.824	79%	0.793	S	S	*	*			trans	-86.4	129.2	152.9	-108.9	-19.8	0	0	0	106.6
975	D	36	Very low	35.1	Very low	144 Å²	144	144.7 Å²	144.7	77%	0.77	78%	0.784	S	S	*	*			trans	-154.5	99	162.3	-138	9.3	0	0	0	109.4
976	D	38.9	Very low	35	Very low	137 Å²	137	149.4 Å²	149.4	73%	0.733	78%	0.782	S	S	*	*				46.1	156.1	126.9	-69.2	1.5	0	0	0	120.3
977	D	39.2	Very low	35.2	Very low	112 Å²	112	148.1 Å²	148.1	60%	0.599	78%	0.781	S	S	*	*			cis	-166.3	170.9	32.5	-159.5	-2.2	0	0	0	113.6
978	K	37.1	Very low	35.7	Very low	147 Å²	147	151.7 Å²	151.7	64%	0.639	78%	0.782	S	S	*	*			trans	100.1	98.4	150.8	-62.7	-159.7	155.5	53.8	0	122.8
979	D	36.3	Very low	35.6	Very low	117 Å²	117	158.2 Å²	158.2	63%	0.626	79%	0.786	S	S	*	*				83.8	101	112.2	-57.1	-14.2	0	0	0	120.5
980	D	35.9	Very low	35.6	Very low	153 Å²	153	154.5 Å²	154.5	82%	0.818	77%	0.772	S	S	*	*				40.8	122.5	117.9	-70.4	-1.9	0	0	0	121.5
981	E	31.8	Very low	35.5	Very low	197 Å²	197	157 Å²	157	92%	0.921	77%	0.77	S	S	*	*				-158.3	138.5	99.1	-110.3	-173.4	-179.6	0	0	111.2
982	D	37.7	Very low	35.5	Very low	150 Å²	150	160 Å²	160	80%	0.802	77%	0.769	S	S	*	*			trans	-104.9	123.4	178.8	-176.3	21.9	0	0	0	110.8
983	S	35.3	Very low	35.3	Very low	111 Å²	111	160.6 Å²	160.6	78%	0.776	77%	0.772	S	S	*	*			trans	-149.6	141.4	178.4	-167.5	0	0	0	0	112.5
984	N	31.2	Very low	35.3	Very low	139 Å²	139	158 Å²	158	74%	0.743	76%	0.758	S	S	*	*			trans	-101	165.3	-164.1	-78.3	-105.4	0	0	0	113.4
985	D	30.3	Very low	35.5	Very low	119 Å²	119	160.8 Å²	160.8	64%	0.636	76%	0.757	S	S	*	*			trans	98.5	152.6	136.3	-146.5	4	0	0	0	119.7
986	R	29.9	Very low	35.5	Very low	193 Å²	193	166 Å²	166	73%	0.728	77%	0.766	S	S	*	*			trans	69.9	100.8	161.4	-84.9	159.9	-117.7	-167.7	2.8	121.5
987	D	35.2	Very low	35.2	Very low	153 Å²	153	165.2 Å²	165.2	82%	0.818	77%	0.771	S	S	*	*				82.3	139.6	116	-90.5	-42.7	0	0	0	122.4
988	R	44.2	Very low	34.9	Very low	233 Å²	233	165.6 Å²	165.6	88%	0.879	78%	0.782	S	S	*	*			trans	-74.3	129	170.7	-58.4	158.6	169.6	164.7	-6.2	109.7
989	R	31	Very low	34.7	Very low	233 Å²	233	167.7 Å²	167.7	88%	0.879	79%	0.791	S	S	*	*				-173.9	140.5	126.8	-104.2	161.5	-165.6	176.5	5.9	115.8
990	D	33	Very low	34.6	Very low	104 Å²	104	169.2 Å²	169.2	56%	0.556	80%	0.8	S	S	*	*			trans	54.2	111.3	144.3	-77.6	-58.5	0	0	0	122.4
991	R	34	Very low	34.5	Very low	203 Å²	203	173.9 Å²	173.9	77%	0.766	81%	0.806	S	S	*	*				83.3	124.5	127.6	-64.6	166.7	-155.8	-171.8	10.8	120.8
992	R	35.3	Very low	34.7	Very low	237 Å²	237	170 Å²	170	89%	0.894	80%	0.8	S	S	*	*			trans	63	126.8	153.9	-64.2	177.6	178.4	174.4	-1.9	113.7
993	D	33.5	Very low	34.9	Very low	164 Å²	164	168 Å²	168	88%	0.877	80%	0.798	S	S	*	*				-124.7	167.9	53.8	-135.8	-21	0	0	0	116.5
994	D	35.7	Very low	35.1	Very low	117 Å²	117	172 Å²	172	63%	0.626	80%	0.802	S	S	*	*			trans	-123.6	151.6	-169	-165.7	2.3	0	0	0	110.9
995	R	43.1	Very low	35.5	Very low	213 Å²	213	173.6 Å²	173.6	80%	0.804	81%	0.81	S	S	*	*			trans	65.1	96.2	172.5	-48.2	150.9	-177.7	-139.5	-4.9	117.6
996	R	37	Very low	36.3	Very low	255 Å²	255	176.9 Å²	176.9	96%	0.962	82%	0.819	S	S	*	*	S	Bend		179.1	55.5	129.3	-98.9	165	-179.3	-170.2	1.2	114.9
997	S	33.3	Very low	37	Very low	119 Å²	119	176.6 Å²	176.6	83%	0.832	83%	0.826	S	S	*	*			trans	-158.3	87.3	161.4	-165.1	0	0	0	0	112.5
998	S	32.9	Very low	38.1	Very low	121 Å²	121	179.1 Å²	179.1	85%	0.846	83%	0.829	S	S	*	*			trans	-157.4	49.2	-178.4	52.2	0	0	0	0	113.6
999	K	33.2	Very low	39.4	Very low	190 Å²	190	172.4 Å²	172.4	83%	0.826	81%	0.806	S	S	*	*	S	Bend	trans	-139.4	-17.9	176.5	-152.2	66.7	-179.3	-178.9	0	117.7
1000	D	33.3	Very low	41.5	Very low	150 Å²	150	166 Å²	166	80%	0.802	79%	0.787	S	S	*	*	S	Bend	trans	-133.7	42.9	-170.9	-88.4	-61.7	0	0	0	115.9
1001	R	34.5	Very low	43.9	Very low	251 Å²	251	165.2 Å²	165.2	95%	0.947	78%	0.78	S	S	*	*	S	Bend	trans	-141.3	39.7	173.3	-73.5	-163.9	174.2	-170.7	-0.8	115
1002	S	36.1	Very low	46.4	Very low	114 Å²	114	157.3 Å²	157.3	80%	0.797	76%	0.755	S	S	*	*	S	Bend	trans	-133.4	36.2	-176.4	68.2	0	0	0	0	114.9
1003	S	41.1	Very low	49	Very low	110 Å²	110	146.2 Å²	146.2	77%	0.769	71%	0.713	S	S	*	*	S	Bend	trans	-148.5	25.8	-172.5	58.7	0	0	0	0	116.2
1004	K	40.4	Very low	51.4	Low	194 Å²	194	141.9 Å²	141.9	84%	0.843	69%	0.688	S	S	*	*			trans	-147.4	9.6	173.6	-129	170	-172.6	173.4	0	120.2	K1006	K1004-K1006 VanDerWaalsContact C-N 3.33Å; K1004-K1006 PolarHBondContact O-N 2.91Å; K1004-K1006 VanDerWaalsContact O-N 3.12Å
1005	D	39.6	Very low	53.9	Low	172 Å²	172	138.2 Å²	138.2	92%	0.92	67%	0.668	S	S	*	*			trans	-75.1	95.2	150.6	-91.2	-49.3	0	0	0	108.1
1006	K	46.4	Very low	56.2	Low	189 Å²	189	131.1 Å²	131.1	82%	0.822	64%	0.641	S	S	*	*			trans	-79.6	116.2	160.4	-76.6	-168.5	173.9	-169.5	0	107.2	K1004 K1008	K1004-K1006 VanDerWaalsContact C-N 3.33Å; K1004-K1006 PolarHBondContact O-N 2.91Å; K1004-K1006 VanDerWaalsContact O-N 3.12Å; K1006-K1008 PolarHBondContact O-N 3.49Å
1007	E	44.9	Very low	58.8	Low	186 Å²	186	122.1 Å²	122.1	87%	0.869	61%	0.612	S	S	*	*			trans	-47.4	137.8	160.8	-67.5	-178.6	108.5	0	0	109.2	K1009	E1007-K1009 VanDerWaalsContact C-N 3.26Å; E1007-K1009 PolarHBondContact O-N 2.9Å
1008	K	57.4	Low	61.6	Low	206 Å²	206	116.9 Å²	116.9	90%	0.896	58%	0.575	S	S	*	*			trans	-69.1	91.5	173.1	-71.7	179.2	-179	173	0	107.5	K1006 Q1010	K1006-K1008 PolarHBondContact O-N 3.49Å; K1008-Q1010 PolarHBondContact O-N 2.81Å
1009	K	71.3	Confident	64.5	Low	92 Å²	92	111.1 Å²	111.1	40%	0.4	54%	0.535	S	S	.	.			trans	-43.2	116.8	178.5	-171	176.4	-170.1	-176.1	0	108.7	E1007 M1011 D1078 E1079	E1007-K1009 VanDerWaalsContact C-N 3.26Å; E1007-K1009 PolarHBondContact O-N 2.9Å; K1009-M1011 PolarHBondContact O-N 3.4Å; K1009-M1011 VanDerWaalsContact O-N 3.09Å; K1009-D1078 WeakPolarHBondContact CE-OD2 3.26Å; K1009-D1078 IonicContact NZ-OD2 3.85Å; K1009-E1079 IonicContact NZ-OE1 2.71Å; K1009-E1079 PolarHBondContact NZ-OE1 2.89Å
1010	Q	75.6	Confident	67.4	Low	100 Å²	100	102.1 Å²	102.1	47%	0.467	50%	0.496	S	S	.	.			trans	-60.2	119.4	-173.7	-174.2	174	18.2	0	0	108.1	K1008 K1077	K1008-Q1010 PolarHBondContact O-N 2.81Å; Q1010-K1077 HydrophobicContact CB-CB 4.38Å; Q1010-K1077 HydrophobicContact CB-CD 4.3Å; Q1010-K1077 WeakPolarHBondContact O-CB 3.14Å; Q1010-K1077 PolarHBondContact O-N 3.21Å
1011	M	83.7	Confident	70.3	Confident	86 Å²	86	95 Å²	95	42%	0.424	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	141.3	175.3	-65.6	-63.2	-62.3	0	0	108.8	A555 K1009 D1074 R1075	A555-M1011 CarbonylContact C-O 2.97Å; A555-M1011 HydrophobicContact CB-CB 3.85Å; A555-M1011 WeakPolarHBondContact CB-O 3.36Å; K1009-M1011 PolarHBondContact O-N 3.4Å; K1009-M1011 VanDerWaalsContact O-N 3.09Å; M1011-D1074 HydrophobicContact CE-CB 3.85Å; M1011-R1075 CarbonylContact C-O 3.58Å; M1011-R1075 WeakPolarHBondContact CA-O 3.31Å
1012	V	86.3	Confident	73.2	Confident	38 Å²	38	83 Å²	83	23%	0.23	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.4	177.9	-179.2	0	0	0	0	107.7	Q1014 D1074 R1075 K1077	V1012-Q1014 PolarHBondContact O-N 2.9Å; V1012-D1074 WeakPolarHBondContact O-CA 3.41Å; V1012-R1075 PolarHBondContact N-O 2.9Å; V1012-R1075 PolarHBondContact O-N 2.82Å; V1012-K1077 HydrophobicContact CG2-CB 4.11Å; V1012-K1077 HydrophobicContact CG2-CG 4.15Å
1013	T	89.8	Confident	75.9	Confident	3 Å²	3	77.7 Å²	77.7	2%	0.018	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	98	175.9	-66.6	0	0	0	0	109.1	L554 A555 E556 R1016 L1019 D1074	L554-T1013 HydrophobicContact CD2-CG2 3.98Å; A555-T1013 PolarHBondContact N-OG1 2.9Å; A555-T1013 VanDerWaalsContact N-OG1 3.08Å; E556-T1013 PolarHBondContact OE2-N 2.85Å; T1013-R1016 HydrophobicContact CG2-CG 3.97Å; T1013-L1019 HydrophobicContact CG2-CB 4.22Å; T1013-L1019 HydrophobicContact CG2-CD2 3.58Å; T1013-D1074 WeakPolarHBondContact CB-OD1 3.33Å; T1013-D1074 WeakPolarHBondContact CG2-OD1 3.37Å; T1013-D1074 PolarHBondContact OG1-OD1 2.73Å
1014	Q	84.8	Confident	78.4	Confident	74 Å²	74	72.8 Å²	72.8	35%	0.346	34%	0.339	S	S	.	.	S	Bend	trans	-74.7	-33.8	-178.9	-71.8	-173.2	-8	0	0	112.9	V1012 T1073 R1075 E1079	V1012-Q1014 PolarHBondContact O-N 2.9Å; Q1014-T1073 PolarHBondContact N-O 2.82Å; Q1014-R1075 HydrophobicContact CG-CB 4.08Å; Q1014-R1075 HydrophobicContact CG-CG 4.33Å; Q1014-E1079 PolarHBondContact NE2-O 2.85Å
1015	N	87.9	Confident	81	Confident	39 Å²	39	63.6 Å²	63.6	21%	0.209	30%	0.3	C	S	.	.			trans	-115.8	84.1	180	-165.4	-25.1	0	0	0	111.1	L1018 L1019 T1073	N1015-L1018 HydrophobicContact CB-CB 4.14Å; N1015-L1018 WeakPolarHBondContact OD1-CB 3.27Å; N1015-L1018 PolarHBondContact OD1-N 2.83Å; N1015-L1019 PolarHBondContact O-N 3.42Å; N1015-L1019 VanDerWaalsContact O-N 3.09Å; N1015-T1073 PolarHBondContact N-O 2.94Å
1016	R	91.6	Very high	83.6	Confident	64 Å²	64	55.4 Å²	55.4	24%	0.242	26%	0.256	C	S	.	.	H	α-helix	trans	-67.1	-42.2	-178.9	-61.8	176.8	175.8	176.7	-10.1	112	E545 Y548 L554 E556 T1013 L1018 L1019 M1020	E545-R1016 IonicContact OE1-CZ 2.68Å; E545-R1016 IonicContact OE1-NH1 2.67Å; E545-R1016 PolarHBondContact OE1-NH1 3.27Å; E545-R1016 IonicContact OE1-NH2 2.7Å; E545-R1016 IonicContact OE2-CZ 3.84Å; E545-R1016 IonicContact OE2-NH1 2.6Å; E545-R1016 PolarHBondContact OE2-NH1 2.77Å; Y548-R1016 HydrophobicContact CD1-CB 3.96Å; Y548-R1016 HydrophobicContact CD2-CB 3.8Å; Y548-R1016 HydrophobicContact CD2-CG 4.34Å; Y548-R1016 HydrophobicContact CE1-CB 3.89Å; Y548-R1016 HydrophobicContact CE2-CB 3.7Å; Y548-R1016 HydrophobicContact CG-CB 3.94Å; L554-R1016 HydrophobicContact CD2-CG 4.2Å; E556-R1016 IonicContact OE1-CZ 3.18Å; E556-R1016 IonicContact OE1-NE 3.49Å; E556-R1016 IonicContact OE1-NH2 2.86Å; E556-R1016 PolarHBondContact OE1-NH2 2.93Å; T1013-R1016 HydrophobicContact CG2-CG 3.97Å; R1016-L1018 PolarHBondContact O-N 3.1Å; R1016-L1019 PolarHBondContact O-N 3.12Å; R1016-M1020 PolarHBondContact O-N 3.21Å
1017	D	90.9	Very high	85.5	Confident	66 Å²	66	49.7 Å²	49.7	35%	0.353	23%	0.232	S	C	.	.	H	α-helix	trans	-57	-43.4	174.8	-81.5	-79.4	0	0	0	113.4	Y548 R873 A1021	Y548-D1017 PolarHBondContact OH-OD1 3.33Å; Y548-D1017 VanDerWaalsContact OH-OD1 3.1Å; Y548-D1017 PolarHBondContact OH-OD2 3.27Å; Y548-D1017 VanDerWaalsContact OH-OD2 3.08Å; R873-D1017 IonicContact CZ-OD1 3.06Å; R873-D1017 IonicContact NH1-OD1 3.61Å; R873-D1017 PolarHBondContact NH1-OD1 2.94Å; R873-D1017 IonicContact NH2-OD1 3.3Å; D1017-A1021 PolarHBondContact O-N 3.1Å; D1017-A1021 VanDerWaalsContact O-N 3.13Å
1018	L	92.8	Very high	87.4	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-72.9	-36.2	177.4	-177.7	61.7	0	0	0	111.6	I874 A877 N1015 R1016 A1021 F1022 L1072 T1073	I874-L1018 HydrophobicContact CG1-CD1 4.15Å; A877-L1018 HydrophobicContact CB-CD1 3.64Å; A877-L1018 HydrophobicContact CB-CD2 3.65Å; A877-L1018 HydrophobicContact CB-CG 4.3Å; N1015-L1018 HydrophobicContact CB-CB 4.14Å; N1015-L1018 WeakPolarHBondContact OD1-CB 3.27Å; N1015-L1018 PolarHBondContact OD1-N 2.83Å; R1016-L1018 PolarHBondContact O-N 3.1Å; L1018-A1021 WeakPolarHBondContact O-CB 3.46Å; L1018-A1021 PolarHBondContact O-N 2.86Å; L1018-F1022 HydrophobicContact CD1-CD2 3.97Å; L1018-F1022 HydrophobicContact CD1-CE2 3.62Å; L1018-F1022 HydrophobicContact CD2-CE2 4.28Å; L1018-F1022 HydrophobicContact CG-CD2 3.97Å; L1018-F1022 HydrophobicContact CG-CE2 3.78Å; L1018-F1022 VanDerWaalsContact O-CD2 3.28Å; L1018-F1022 WeakPolarHBondContact O-CD2 3.22Å; L1018-F1022 PolarHBondContact O-N 3.46Å; L1018-F1022 VanDerWaalsContact O-N 3.09Å; L1018-L1072 HydrophobicContact CD2-CB 4.45Å; L1018-T1073 HydrophobicContact CB-CG2 4.34Å; L1018-T1073 HydrophobicContact CD2-CG2 4.37Å; L1018-T1073 HydrophobicContact CG-CG2 4.17Å
1019	L	93.8	Very high	88.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-45.4	174.5	-177.8	57.4	0	0	0	111.2	C552 L554 T1013 N1015 R1016 A1021 F1022 V1023 Y1069 T1073	C552-L1019 HydrophobicContact CB-CD2 3.78Å; C552-L1019 HydrophobicContact CB-CG 3.96Å; L554-L1019 HydrophobicContact CD2-CD2 4.1Å; T1013-L1019 HydrophobicContact CG2-CB 4.22Å; T1013-L1019 HydrophobicContact CG2-CD2 3.58Å; N1015-L1019 PolarHBondContact O-N 3.42Å; N1015-L1019 VanDerWaalsContact O-N 3.09Å; R1016-L1019 PolarHBondContact O-N 3.12Å; L1019-A1021 VanDerWaalsContact C-N 3.28Å; L1019-A1021 PolarHBondContact O-N 2.87Å; L1019-F1022 PolarHBondContact O-N 3.21Å; L1019-V1023 HydrophobicContact CD1-CG2 4.1Å; L1019-V1023 HydrophobicContact CG-CG2 4.37Å; L1019-V1023 WeakPolarHBondContact O-CB 3.35Å; L1019-V1023 VanDerWaalsContact O-CG2 3.28Å; L1019-V1023 WeakPolarHBondContact O-CG2 3.41Å; L1019-V1023 PolarHBondContact O-N 3.41Å; L1019-Y1069 HydrophobicContact CD1-CD2 3.82Å; L1019-Y1069 HydrophobicContact CD1-CE2 3.55Å; L1019-T1073 HydrophobicContact CB-CG2 3.72Å; L1019-T1073 HydrophobicContact CD1-CG2 4.16Å
1020	M	92.6	Very high	89.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-39.1	175.4	-168	162.6	68.1	0	0	111.8	F500 L544 L547 Y548 C552 P568 F870 R1016 V1023 Y1024	F500-M1020 HydrophobicContact CD2-CE 4.41Å; L544-M1020 HydrophobicContact CD1-CE 4.33Å; L547-M1020 HydrophobicContact CD2-CE 4.13Å; L547-M1020 HydrophobicContact CD2-SD 3.71Å; L547-M1020 HydrophobicContact CG-SD 3.93Å; Y548-M1020 HydrophobicContact CD1-CB 4.4Å; Y548-M1020 HydrophobicContact CD1-CE 4.48Å; Y548-M1020 HydrophobicContact CD1-SD 3.99Å; Y548-M1020 HydrophobicContact CE1-CB 4.21Å; Y548-M1020 HydrophobicContact CE1-CE 3.8Å; Y548-M1020 HydrophobicContact CE1-SD 3.9Å; C552-M1020 WeakPolarHBondContact SG-CA 3.18Å; C552-M1020 VanDerWaalsContact SG-CB 3.56Å; P568-M1020 HydrophobicContact CG-CG 4.3Å; F870-M1020 HydrophobicContact CE1-CE 3.92Å; F870-M1020 HydrophobicContact CE1-CG 4.18Å; F870-M1020 HydrophobicContact CZ-CE 4.1Å; F870-M1020 HydrophobicContact CZ-CG 4.29Å; R1016-M1020 PolarHBondContact O-N 3.21Å; M1020-V1023 PolarHBondContact O-N 3.22Å; M1020-Y1024 PolarHBondContact O-N 3.45Å
1021	A	94.7	Very high	90.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-44.4	176.5	0	0	0	0	0	113.1	F870 R873 I874 D1017 L1018 L1019 F1025	F870-A1021 HydrophobicContact CB-CB 3.91Å; F870-A1021 HydrophobicContact CD1-CB 3.71Å; F870-A1021 HydrophobicContact CG-CB 4.2Å; R873-A1021 HydrophobicContact CB-CB 4.15Å; I874-A1021 HydrophobicContact CD1-CB 4.36Å; I874-A1021 HydrophobicContact CG1-CB 3.99Å; D1017-A1021 PolarHBondContact O-N 3.1Å; D1017-A1021 VanDerWaalsContact O-N 3.13Å; L1018-A1021 WeakPolarHBondContact O-CB 3.46Å; L1018-A1021 PolarHBondContact O-N 2.86Å; L1019-A1021 VanDerWaalsContact C-N 3.28Å; L1019-A1021 PolarHBondContact O-N 2.87Å; A1021-F1025 VanDerWaalsContact O-CD2 3.23Å; A1021-F1025 WeakPolarHBondContact O-CD2 3.29Å
1022	F	94.8	Very high	90.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.5	-38.8	174.8	-80	-72	0	0	0	112.6	I874 L1018 L1019 Y1024 F1025 D1026 L1033 Y1069 L1072	I874-F1022 HydrophobicContact CB-CZ 4.46Å; I874-F1022 HydrophobicContact CD1-CD1 3.74Å; I874-F1022 HydrophobicContact CD1-CE1 3.92Å; I874-F1022 HydrophobicContact CD1-CG 4.08Å; I874-F1022 HydrophobicContact CD1-CZ 4.42Å; I874-F1022 HydrophobicContact CG1-CD1 4.18Å; I874-F1022 HydrophobicContact CG1-CD2 4.24Å; I874-F1022 HydrophobicContact CG1-CE1 4.06Å; I874-F1022 HydrophobicContact CG1-CE2 4.14Å; I874-F1022 HydrophobicContact CG1-CG 4.27Å; I874-F1022 HydrophobicContact CG1-CZ 4.04Å; I874-F1022 HydrophobicContact CG2-CE1 3.84Å; I874-F1022 HydrophobicContact CG2-CE2 4.48Å; I874-F1022 HydrophobicContact CG2-CZ 3.71Å; L1018-F1022 HydrophobicContact CD1-CD2 3.97Å; L1018-F1022 HydrophobicContact CD1-CE2 3.62Å; L1018-F1022 HydrophobicContact CD2-CE2 4.28Å; L1018-F1022 HydrophobicContact CG-CD2 3.97Å; L1018-F1022 HydrophobicContact CG-CE2 3.78Å; L1018-F1022 VanDerWaalsContact O-CD2 3.28Å; L1018-F1022 WeakPolarHBondContact O-CD2 3.22Å; L1018-F1022 PolarHBondContact O-N 3.46Å; L1018-F1022 VanDerWaalsContact O-N 3.09Å; L1019-F1022 PolarHBondContact O-N 3.21Å; F1022-Y1024 VanDerWaalsContact C-N 3.28Å; F1022-Y1024 PolarHBondContact O-N 2.91Å; F1022-F1025 PolarHBondContact O-N 3.37Å; F1022-F1025 VanDerWaalsContact O-N 3.15Å; F1022-D1026 PolarHBondContact O-N 2.88Å; F1022-D1026 VanDerWaalsContact O-N 3.08Å; F1022-L1033 HydrophobicContact CD1-CD1 3.71Å; F1022-L1033 HydrophobicContact CD1-CG 4.29Å; F1022-L1033 HydrophobicContact CE1-CD1 4.16Å; F1022-Y1069 HydrophobicContact CB-CD1 3.84Å; F1022-Y1069 HydrophobicContact CB-CD2 3.57Å; F1022-Y1069 HydrophobicContact CB-CE1 4.16Å; F1022-Y1069 HydrophobicContact CB-CE2 3.91Å; F1022-Y1069 HydrophobicContact CB-CG 3.53Å; F1022-Y1069 AromaticContact CD1-CD1 4Å; F1022-Y1069 HydrophobicContact CD1-CD1 4Å; F1022-Y1069 AromaticContact CD1-CG 3.89Å; F1022-Y1069 HydrophobicContact CD1-CG 3.89Å; F1022-Y1069 VanDerWaalsContact CD2-CB 3.44Å; F1022-Y1069 HydrophobicContact CD2-CD2 4.26Å; F1022-Y1069 HydrophobicContact CD2-CG 4.01Å; F1022-Y1069 HydrophobicContact CG-CD1 4.03Å; F1022-Y1069 AromaticContact CG-CD2 3.98Å; F1022-Y1069 HydrophobicContact CG-CD2 3.98Å; F1022-Y1069 AromaticContact CG-CG 3.56Å; F1022-Y1069 HydrophobicContact CG-CG 3.56Å; F1022-L1072 HydrophobicContact CE2-CD1 4.09Å; F1022-L1072 HydrophobicContact CZ-CD1 3.95Å
1023	V	93.2	Very high	91	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-25.4	178.6	164.6	0	0	0	0	112.9	L1019 M1020 F1025 H1029 Y1069	L1019-V1023 HydrophobicContact CD1-CG2 4.1Å; L1019-V1023 HydrophobicContact CG-CG2 4.37Å; L1019-V1023 WeakPolarHBondContact O-CB 3.35Å; L1019-V1023 VanDerWaalsContact O-CG2 3.28Å; L1019-V1023 WeakPolarHBondContact O-CG2 3.41Å; L1019-V1023 PolarHBondContact O-N 3.41Å; M1020-V1023 PolarHBondContact O-N 3.22Å; V1023-F1025 PolarHBondContact O-N 2.77Å; V1023-H1029 VanDerWaalsContact CG1-CE1 3.5Å; V1023-H1029 WeakPolarHBondContact CG1-CE1 3.36Å; V1023-Y1069 HydrophobicContact CG2-CE2 4.27Å
1024	Y	94.6	Very high	91.2	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.027	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23	172.6	-161	-85.4	0	0	0	113	H567 P568 N863 L866 Q867 F870 M1020 F1022	H567-Y1024 PolarHBondContact NE2-O 2.83Å; P568-Y1024 HydrophobicContact CB-CD2 3.93Å; P568-Y1024 HydrophobicContact CB-CE2 4.28Å; P568-Y1024 HydrophobicContact CG-CD2 4.11Å; N863-Y1024 PolarHBondContact OD1-OH 3.06Å; L866-Y1024 HydrophobicContact CB-CE1 4.49Å; L866-Y1024 HydrophobicContact CB-CE2 4.19Å; L866-Y1024 HydrophobicContact CD1-CE2 3.86Å; Q867-Y1024 HydrophobicContact CG-CD1 4.24Å; Q867-Y1024 HydrophobicContact CG-CE1 3.68Å; F870-Y1024 AromaticContact CD2-CD1 3.98Å; F870-Y1024 HydrophobicContact CD2-CD1 3.98Å; F870-Y1024 AromaticContact CD2-CD2 3.54Å; F870-Y1024 HydrophobicContact CD2-CD2 3.54Å; F870-Y1024 HydrophobicContact CD2-CE2 4.14Å; F870-Y1024 AromaticContact CD2-CG 3.45Å; F870-Y1024 HydrophobicContact CD2-CG 3.45Å; F870-Y1024 VanDerWaalsContact CD2-CG 3.45Å; F870-Y1024 AromaticContact CE2-CD2 3.29Å; F870-Y1024 HydrophobicContact CE2-CD2 3.29Å; F870-Y1024 AromaticContact CE2-CE2 3.78Å; F870-Y1024 HydrophobicContact CE2-CE2 3.78Å; F870-Y1024 AromaticContact CE2-CG 3.75Å; F870-Y1024 HydrophobicContact CE2-CG 3.75Å; F870-Y1024 HydrophobicContact CG-CG 4.37Å; F870-Y1024 HydrophobicContact CZ-CD2 4.3Å; M1020-Y1024 PolarHBondContact O-N 3.45Å; F1022-Y1024 VanDerWaalsContact C-N 3.28Å; F1022-Y1024 PolarHBondContact O-N 2.91Å
1025	F	95.3	Very high	91.6	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-39.8	178.3	-62.7	-69.2	0	0	0	112.7	V451 F453 Q867 F870 I874 A1021 F1022 V1023 Q1027 L1033 I1041	V451-F1025 WeakPolarHBondContact CA-O 3.29Å; V451-F1025 HydrophobicContact CG1-CB 4.34Å; F453-F1025 HydrophobicContact CB-CD1 4.03Å; F453-F1025 HydrophobicContact CB-CE1 3.92Å; Q867-F1025 HydrophobicContact CB-CE1 4.3Å; Q867-F1025 HydrophobicContact CB-CZ 4.43Å; Q867-F1025 HydrophobicContact CG-CE1 4.2Å; F870-F1025 HydrophobicContact CB-CE2 4.09Å; F870-F1025 HydrophobicContact CB-CZ 4.49Å; I874-F1025 HydrophobicContact CD1-CD2 3.87Å; I874-F1025 HydrophobicContact CD1-CE2 3.86Å; A1021-F1025 VanDerWaalsContact O-CD2 3.23Å; A1021-F1025 WeakPolarHBondContact O-CD2 3.29Å; F1022-F1025 PolarHBondContact O-N 3.37Å; F1022-F1025 VanDerWaalsContact O-N 3.15Å; V1023-F1025 PolarHBondContact O-N 2.77Å; F1025-Q1027 VanDerWaalsContact C-N 3.33Å; F1025-Q1027 PolarHBondContact O-N 3.23Å; F1025-L1033 HydrophobicContact CB-CD1 4.26Å; F1025-L1033 HydrophobicContact CB-CD2 4.26Å; F1025-I1041 HydrophobicContact CB-CD1 4.04Å; F1025-I1041 HydrophobicContact CD1-CD1 3.67Å; F1025-I1041 HydrophobicContact CD1-CG1 4.12Å; F1025-I1041 HydrophobicContact CD2-CD1 4.17Å; F1025-I1041 HydrophobicContact CE1-CD1 4.11Å; F1025-I1041 HydrophobicContact CE1-CG1 4.11Å; F1025-I1041 HydrophobicContact CE1-CG2 4.18Å; F1025-I1041 HydrophobicContact CE2-CG2 4.02Å; F1025-I1041 HydrophobicContact CG-CD1 3.69Å; F1025-I1041 HydrophobicContact CZ-CG2 3.79Å
1026	D	93	Very high	91.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-78.5	76.4	177.6	-175.9	3.8	0	0	0	111.7	F1022 S1028 H1029 C1030 G1031 L1033 Y1069	F1022-D1026 PolarHBondContact O-N 2.88Å; F1022-D1026 VanDerWaalsContact O-N 3.08Å; D1026-S1028 PolarHBondContact O-N 2.81Å; D1026-S1028 WeakPolarHBondContact OD1-CA 3.49Å; D1026-S1028 PolarHBondContact OD1-N 2.93Å; D1026-S1028 PolarHBondContact OD1-OG 3.27Å; D1026-H1029 PolarHBondContact O-CD2 3.38Å; D1026-H1029 VanDerWaalsContact O-CD2 3.29Å; D1026-H1029 PolarHBondContact O-N 3.09Å; D1026-H1029 WeakPolarHBondContact OD1-CA 3.36Å; D1026-H1029 PolarHBondContact OD1-N 3.02Å; D1026-H1029 WeakPolarHBondContact OD2-CA 3.3Å; D1026-C1030 VanDerWaalsContact CG-N 3.34Å; D1026-C1030 PolarHBondContact OD1-N 2.77Å; D1026-C1030 VanDerWaalsContact OD1-N 3.13Å; D1026-C1030 PolarHBondContact OD1-SG 3.12Å; D1026-C1030 VanDerWaalsContact OD1-SG 3.39Å; D1026-C1030 PolarHBondContact OD2-N 3.38Å; D1026-C1030 PolarHBondContact OD2-SG 2.66Å; D1026-C1030 VanDerWaalsContact OD2-SG 3.39Å; D1026-G1031 PolarHBondContact OD2-N 2.76Å; D1026-L1033 HydrophobicContact CB-CD2 3.98Å; D1026-Y1069 HydrophobicContact CB-CE1 4.11Å; D1026-Y1069 PolarHBondContact OD2-OH 2.78Å; D1026-Y1069 VanDerWaalsContact OD2-OH 3.05Å
1027	Q	87.5	Confident	92.1	Very high	68 Å²	68	27.5 Å²	27.5	32%	0.318	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.3	174.4	-66.7	-172.9	-14.8	0	0	113.4	T450 Q452 F1025 H1029	T450-Q1027 HydrophobicContact CG2-CB 4.34Å; T450-Q1027 PolarHBondContact O-N 3.37Å; T450-Q1027 VanDerWaalsContact O-N 3.14Å; Q452-Q1027 VanDerWaalsContact CD-NE2 3.33Å; F1025-Q1027 VanDerWaalsContact C-N 3.33Å; F1025-Q1027 PolarHBondContact O-N 3.23Å; Q1027-H1029 VanDerWaalsContact C-N 3.34Å; Q1027-H1029 PolarHBondContact O-CD2 2.69Å
1028	S	84.9	Confident	92.2	Very high	11 Å²	11	24.4 Å²	24.4	8%	0.077	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.8	171.7	46.4	0	0	0	0	114.4	P447 R448 Y449 T450 D1026 C1030	P447-S1028 WeakPolarHBondContact CB-O 3.32Å; R448-S1028 WeakPolarHBondContact O-CB 3.5Å; Y449-S1028 WeakPolarHBondContact CA-OG 3.48Å; T450-S1028 PolarHBondContact N-OG 2.83Å; T450-S1028 PolarHBondContact O-N 3.25Å; T450-S1028 PolarHBondContact O-OG 2.98Å; D1026-S1028 PolarHBondContact O-N 2.81Å; D1026-S1028 WeakPolarHBondContact OD1-CA 3.49Å; D1026-S1028 PolarHBondContact OD1-N 2.93Å; D1026-S1028 PolarHBondContact OD1-OG 3.27Å; S1028-C1030 PolarHBondContact O-N 3Å; S1028-C1030 VanDerWaalsContact O-N 3.13Å
1029	H	85.1	Confident	92.3	Very high	42 Å²	42	24.7 Å²	24.7	19%	0.194	12%	0.116	C	C	.	.			trans	46.2	35.8	-171.6	-62.8	-116.6	0	0	0	112.7	F565 V1023 D1026 Q1027 G1031	F565-H1029 AromaticContact CD2-CD2 3.84Å; F565-H1029 AromaticContact CD2-CE1 3.34Å; F565-H1029 WeakPolarHBondContact CD2-CE1 3.29Å; F565-H1029 AromaticContact CD2-CG 3.81Å; F565-H1029 AromaticContact CD2-ND1 3.5Å; F565-H1029 WeakPolarHBondContact CD2-ND1 3.33Å; F565-H1029 AromaticContact CD2-NE2 3.54Å; F565-H1029 HydrophobicContact CE1-CB 4.48Å; F565-H1029 HydrophobicContact CE2-CB 4.03Å; F565-H1029 AromaticContact CE2-CD2 3.23Å; F565-H1029 WeakPolarHBondContact CE2-CD2 3.45Å; F565-H1029 AromaticContact CE2-CE1 3.6Å; F565-H1029 AromaticContact CE2-CG 3.39Å; F565-H1029 AromaticContact CE2-ND1 3.61Å; F565-H1029 AromaticContact CE2-NE2 3.37Å; F565-H1029 WeakPolarHBondContact CE2-NE2 3.43Å; F565-H1029 HydrophobicContact CZ-CB 3.92Å; F565-H1029 AromaticContact CZ-CD2 3.94Å; F565-H1029 AromaticContact CZ-CG 3.82Å; V1023-H1029 VanDerWaalsContact CG1-CE1 3.5Å; V1023-H1029 WeakPolarHBondContact CG1-CE1 3.36Å; D1026-H1029 PolarHBondContact O-CD2 3.38Å; D1026-H1029 VanDerWaalsContact O-CD2 3.29Å; D1026-H1029 PolarHBondContact O-N 3.09Å; D1026-H1029 WeakPolarHBondContact OD1-CA 3.36Å; D1026-H1029 PolarHBondContact OD1-N 3.02Å; D1026-H1029 WeakPolarHBondContact OD2-CA 3.3Å; Q1027-H1029 VanDerWaalsContact C-N 3.34Å; Q1027-H1029 PolarHBondContact O-CD2 2.69Å; H1029-G1031 VanDerWaalsContact C-N 3.28Å; H1029-G1031 PolarHBondContact O-N 2.9Å
1030	C	87.3	Confident	92.3	Very high	35 Å²	35	27.4 Å²	27.4	24%	0.236	13%	0.131	C	C	.	.			trans	-76.4	-12	-177.1	68.8	0	0	0	0	113.6	D1026 S1028 Y1032	D1026-C1030 VanDerWaalsContact CG-N 3.34Å; D1026-C1030 PolarHBondContact OD1-N 2.77Å; D1026-C1030 VanDerWaalsContact OD1-N 3.13Å; D1026-C1030 PolarHBondContact OD1-SG 3.12Å; D1026-C1030 VanDerWaalsContact OD1-SG 3.39Å; D1026-C1030 PolarHBondContact OD2-N 3.38Å; D1026-C1030 PolarHBondContact OD2-SG 2.66Å; D1026-C1030 VanDerWaalsContact OD2-SG 3.39Å; S1028-C1030 PolarHBondContact O-N 3Å; S1028-C1030 VanDerWaalsContact O-N 3.13Å; C1030-Y1032 HydrophobicContact CB-CD1 4.17Å; C1030-Y1032 HydrophobicContact CB-CE1 3.75Å; C1030-Y1032 VanDerWaalsContact SG-CD1 3.58Å; C1030-Y1032 WeakPolarHBondContact SG-CE1 3.34Å; C1030-Y1032 PolarHBondContact SG-O 3.28Å
1031	G	89	Confident	92.5	Very high	14 Å²	14	27.4 Å²	27.4	14%	0.144	13%	0.131	C	C	.	.	S	Bend	trans	89.1	12.8	172.4	0	0	0	0	0	114.8	D1026 H1029	D1026-G1031 PolarHBondContact OD2-N 2.76Å; H1029-G1031 VanDerWaalsContact C-N 3.28Å; H1029-G1031 PolarHBondContact O-N 2.9Å
1032	Y	92.3	Very high	92.4	Very high	61 Å²	61	27.5 Å²	27.5	24%	0.239	13%	0.131	C	C	.	.			trans	-150.6	155.8	175.3	65.2	-84	0	0	0	111.7	Y449 C1030 L1034 C1067 Y1068 Y1069	Y449-Y1032 HydrophobicContact CD2-CD2 4.23Å; Y449-Y1032 AromaticContact CD2-CE2 3.57Å; Y449-Y1032 HydrophobicContact CD2-CE2 3.57Å; Y449-Y1032 AromaticContact CD2-CZ 3.9Å; Y449-Y1032 HydrophobicContact CE2-CD2 4.18Å; Y449-Y1032 AromaticContact CE2-CE2 3.92Å; Y449-Y1032 HydrophobicContact CE2-CE2 3.92Å; Y449-Y1032 HydrophobicContact CG-CE2 4.42Å; C1030-Y1032 HydrophobicContact CB-CD1 4.17Å; C1030-Y1032 HydrophobicContact CB-CE1 3.75Å; C1030-Y1032 VanDerWaalsContact SG-CD1 3.58Å; C1030-Y1032 WeakPolarHBondContact SG-CE1 3.34Å; C1030-Y1032 PolarHBondContact SG-O 3.28Å; Y1032-L1034 HydrophobicContact CD2-CD2 4.46Å; Y1032-L1034 HydrophobicContact CE2-CD2 4.16Å; Y1032-C1067 VanDerWaalsContact CA-O 3.22Å; Y1032-C1067 WeakPolarHBondContact CA-O 3.39Å; Y1032-Y1068 HydrophobicContact CD1-CE1 4.18Å; Y1032-Y1068 HydrophobicContact CG-CD1 4.43Å; Y1032-Y1068 HydrophobicContact CG-CE1 4.22Å; Y1032-Y1069 VanDerWaalsContact N-CE1 3.29Å
1033	L	94.6	Very high	92.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.3	164.5	-63.9	-178.6	0	0	0	109.4	V451 F1022 F1025 D1026 L1038 I1041 C1067	V451-L1033 HydrophobicContact CG2-CD2 3.61Å; F1022-L1033 HydrophobicContact CD1-CD1 3.71Å; F1022-L1033 HydrophobicContact CD1-CG 4.29Å; F1022-L1033 HydrophobicContact CE1-CD1 4.16Å; F1025-L1033 HydrophobicContact CB-CD1 4.26Å; F1025-L1033 HydrophobicContact CB-CD2 4.26Å; D1026-L1033 HydrophobicContact CB-CD2 3.98Å; L1033-L1038 HydrophobicContact CD1-CD1 4.47Å; L1033-I1041 HydrophobicContact CD1-CD1 4.43Å; L1033-C1067 PolarHBondContact N-O 3.47Å; L1033-C1067 PolarHBondContact O-N 2.77Å
1034	L	94.3	Very high	92.4	Very high	57 Å²	57	32.3 Å²	32.3	30%	0.298	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	150.4	172.6	-65.3	176.6	0	0	0	111.3	Y449 Y1032 R1036 D1037 L1038 E1065	Y449-L1034 HydrophobicContact CD1-CD1 4.01Å; Y449-L1034 HydrophobicContact CD1-CG 4.48Å; Y449-L1034 HydrophobicContact CE1-CB 4.49Å; Y449-L1034 HydrophobicContact CE1-CD1 3.55Å; Y449-L1034 HydrophobicContact CE1-CG 3.85Å; Y449-L1034 HydrophobicContact CE2-CG 4.02Å; Y449-L1034 PolarHBondContact OH-N 3.09Å; Y1032-L1034 HydrophobicContact CD2-CD2 4.46Å; Y1032-L1034 HydrophobicContact CE2-CD2 4.16Å; L1034-R1036 VanDerWaalsContact C-N 3.34Å; L1034-R1036 PolarHBondContact O-N 3Å; L1034-D1037 PolarHBondContact O-N 2.82Å; L1034-L1038 WeakPolarHBondContact O-CB 3.28Å; L1034-L1038 PolarHBondContact O-N 2.86Å; L1034-E1065 CarbonylContact C-O 3.59Å; L1034-E1065 WeakPolarHBondContact CA-O 3.39Å
1035	E	93.8	Very high	92.2	Very high	30 Å²	30	32 Å²	32	14%	0.14	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-42.2	-177.8	-172.9	175.5	164.4	0	0	112.3	L1038 E1039 K1055 L1058 V1062 E1065	E1035-L1038 PolarHBondContact O-N 3.49Å; E1035-E1039 PolarHBondContact O-N 2.84Å; E1035-K1055 WeakPolarHBondContact OE1-CD 3.5Å; E1035-K1055 IonicContact OE1-NZ 3.89Å; E1035-K1055 PolarHBondContact OE1-NZ 2.93Å; E1035-L1058 HydrophobicContact CG-CB 4.44Å; E1035-L1058 HydrophobicContact CG-CD1 3.81Å; E1035-V1062 HydrophobicContact CB-CG1 4.12Å; E1035-V1062 HydrophobicContact CB-CG2 4.26Å; E1035-V1062 HydrophobicContact CG-CG1 4.36Å; E1035-V1062 HydrophobicContact CG-CG2 4.13Å; E1035-V1062 WeakPolarHBondContact OE2-CG1 3.18Å; E1035-E1065 PolarHBondContact N-O 3.08Å
1036	R	93.7	Very high	91.9	Very high	162 Å²	162	32 Å²	32	61%	0.611	15%	0.15	S	C	*	.	H	α-helix	trans	-60.2	-50.8	177.1	-176.1	-162.1	68	-162.9	-3.9	111.8	L1034 L1038 E1039 D1040	L1034-R1036 VanDerWaalsContact C-N 3.34Å; L1034-R1036 PolarHBondContact O-N 3Å; R1036-L1038 PolarHBondContact O-N 2.86Å; R1036-E1039 WeakPolarHBondContact O-CB 3.34Å; R1036-E1039 PolarHBondContact O-N 3.24Å; R1036-E1039 VanDerWaalsContact O-N 3.09Å; R1036-D1040 PolarHBondContact O-N 3.09Å
1037	D	95.1	Very high	91.7	Very high	11 Å²	11	32 Å²	32	6%	0.059	15%	0.151	C	C	.	.	H	α-helix	trans	-69.5	-28.1	-175.3	-52.5	-32.9	0	0	0	110.6	Y449 F453 L1034 I1041	Y449-D1037 VanDerWaalsContact CE1-OD2 3.24Å; Y449-D1037 WeakPolarHBondContact CE1-OD2 3.3Å; Y449-D1037 PolarHBondContact OH-OD2 2.89Å; F453-D1037 HydrophobicContact CE1-CB 4.34Å; L1034-D1037 PolarHBondContact O-N 2.82Å; D1037-I1041 WeakPolarHBondContact O-CB 3.26Å; D1037-I1041 WeakPolarHBondContact O-CD1 3.43Å; D1037-I1041 WeakPolarHBondContact O-CG1 3.43Å; D1037-I1041 PolarHBondContact O-N 3.24Å
1038	L	94.3	Very high	91.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-75.7	-29.9	171.1	-174.9	58.3	0	0	0	113.4	I874 L878 L1033 L1034 E1035 R1036 L1042 L1058 C1067	I874-L1038 HydrophobicContact CG2-CD1 3.98Å; L878-L1038 HydrophobicContact CD1-CD2 4.3Å; L1033-L1038 HydrophobicContact CD1-CD1 4.47Å; L1034-L1038 WeakPolarHBondContact O-CB 3.28Å; L1034-L1038 PolarHBondContact O-N 2.86Å; E1035-L1038 PolarHBondContact O-N 3.49Å; R1036-L1038 PolarHBondContact O-N 2.86Å; L1038-L1042 WeakPolarHBondContact O-CB 3.36Å; L1038-L1042 WeakPolarHBondContact O-CD1 3.31Å; L1038-L1042 WeakPolarHBondContact O-CG 3.43Å; L1038-L1042 PolarHBondContact O-N 2.84Å; L1038-L1058 HydrophobicContact CD2-CD2 3.67Å; L1038-L1058 HydrophobicContact CG-CD1 4.39Å; L1038-L1058 HydrophobicContact CG-CD2 3.85Å; L1038-C1067 HydrophobicContact CD2-CB 3.85Å
1039	E	94	Very high	91.8	Very high	16 Å²	16	33 Å²	33	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-49.6	164.9	-75.8	-175.7	-113.9	0	0	110.2	E1035 R1036 I1041 L1042 Y1043 I1054 K1055 L1058	E1035-E1039 PolarHBondContact O-N 2.84Å; R1036-E1039 WeakPolarHBondContact O-CB 3.34Å; R1036-E1039 PolarHBondContact O-N 3.24Å; R1036-E1039 VanDerWaalsContact O-N 3.09Å; E1039-I1041 PolarHBondContact O-N 2.78Å; E1039-L1042 PolarHBondContact O-N 2.91Å; E1039-Y1043 HydrophobicContact CB-CD2 4.48Å; E1039-Y1043 HydrophobicContact CB-CE2 3.99Å; E1039-Y1043 WeakPolarHBondContact O-CD2 3.45Å; E1039-Y1043 PolarHBondContact O-N 3.15Å; E1039-I1054 HydrophobicContact CB-CG2 4.34Å; E1039-I1054 HydrophobicContact CG-CG2 3.85Å; E1039-K1055 WeakPolarHBondContact OE1-CE 3.2Å; E1039-K1055 IonicContact OE1-NZ 2.61Å; E1039-K1055 PolarHBondContact OE1-NZ 3.37Å; E1039-L1058 HydrophobicContact CG-CD1 3.6Å
1040	D	94.9	Very high	92.1	Very high	57 Å²	57	33.6 Å²	33.6	31%	0.305	16%	0.163	S	C	.	.	H	α-helix	trans	-60.2	-45.5	-178.8	-70	-17.1	0	0	0	112	F453 R1036 L1042 Y1043 T1044	F453-D1040 HydrophobicContact CE2-CB 3.66Å; F453-D1040 HydrophobicContact CZ-CB 3.46Å; F453-D1040 VanDerWaalsContact CZ-CB 3.46Å; R1036-D1040 PolarHBondContact O-N 3.09Å; D1040-L1042 PolarHBondContact O-N 3.46Å; D1040-Y1043 PolarHBondContact O-N 3.12Å; D1040-T1044 WeakPolarHBondContact O-CG2 3.31Å; D1040-T1044 PolarHBondContact O-N 2.84Å
1041	I	95.4	Very high	92.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-30.2	173.3	-71.5	161.9	0	0	0	112.4	V451 F453 F1025 L1033 D1037 E1039 T1044 L1045	V451-I1041 HydrophobicContact CG1-CD1 4.43Å; F453-I1041 HydrophobicContact CB-CG1 4.31Å; F453-I1041 HydrophobicContact CD1-CD1 3.93Å; F453-I1041 HydrophobicContact CD1-CG1 3.61Å; F453-I1041 HydrophobicContact CD2-CG1 4.03Å; F453-I1041 HydrophobicContact CE1-CD1 4.22Å; F453-I1041 HydrophobicContact CE1-CG1 3.89Å; F453-I1041 HydrophobicContact CE2-CG1 4.27Å; F453-I1041 HydrophobicContact CG-CD1 4.44Å; F453-I1041 HydrophobicContact CG-CG1 3.71Å; F453-I1041 HydrophobicContact CZ-CG1 4.22Å; F1025-I1041 HydrophobicContact CB-CD1 4.04Å; F1025-I1041 HydrophobicContact CD1-CD1 3.67Å; F1025-I1041 HydrophobicContact CD1-CG1 4.12Å; F1025-I1041 HydrophobicContact CD2-CD1 4.17Å; F1025-I1041 HydrophobicContact CE1-CD1 4.11Å; F1025-I1041 HydrophobicContact CE1-CG1 4.11Å; F1025-I1041 HydrophobicContact CE1-CG2 4.18Å; F1025-I1041 HydrophobicContact CE2-CG2 4.02Å; F1025-I1041 HydrophobicContact CG-CD1 3.69Å; F1025-I1041 HydrophobicContact CZ-CG2 3.79Å; L1033-I1041 HydrophobicContact CD1-CD1 4.43Å; D1037-I1041 WeakPolarHBondContact O-CB 3.26Å; D1037-I1041 WeakPolarHBondContact O-CD1 3.43Å; D1037-I1041 WeakPolarHBondContact O-CG1 3.43Å; D1037-I1041 PolarHBondContact O-N 3.24Å; E1039-I1041 PolarHBondContact O-N 2.78Å; I1041-T1044 PolarHBondContact O-OG1 3.44Å; I1041-T1044 VanDerWaalsContact O-OG1 3.06Å; I1041-L1045 WeakPolarHBondContact O-CG 3.44Å
1042	L	93.6	Very high	92.2	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-82.4	-25.3	178.1	-72.1	172.1	0	0	0	113.1	Y875 L1038 E1039 D1040 L1045 I1054 L1058	Y875-L1042 HydrophobicContact CD2-CD2 4.16Å; Y875-L1042 HydrophobicContact CG-CD2 4.41Å; L1038-L1042 WeakPolarHBondContact O-CB 3.36Å; L1038-L1042 WeakPolarHBondContact O-CD1 3.31Å; L1038-L1042 WeakPolarHBondContact O-CG 3.43Å; L1038-L1042 PolarHBondContact O-N 2.84Å; E1039-L1042 PolarHBondContact O-N 2.91Å; D1040-L1042 PolarHBondContact O-N 3.46Å; L1042-L1045 HydrophobicContact CD2-CD1 3.9Å; L1042-I1054 HydrophobicContact CB-CD1 4.01Å; L1042-I1054 HydrophobicContact CB-CG2 4.38Å; L1042-I1054 HydrophobicContact CD1-CG2 3.87Å; L1042-L1058 HydrophobicContact CD1-CD2 3.97Å
1043	Y	93.7	Very high	92	Very high	90 Å²	90	43.2 Å²	43.2	35%	0.353	21%	0.208	S	C	.	.	H	α-helix	trans	-71.9	-30.6	173.8	-71.9	-62.1	0	0	0	113	E1039 D1040 L1045 R1051 I1054	E1039-Y1043 HydrophobicContact CB-CD2 4.48Å; E1039-Y1043 HydrophobicContact CB-CE2 3.99Å; E1039-Y1043 WeakPolarHBondContact O-CD2 3.45Å; E1039-Y1043 PolarHBondContact O-N 3.15Å; D1040-Y1043 PolarHBondContact O-N 3.12Å; Y1043-L1045 VanDerWaalsContact C-N 3.29Å; Y1043-L1045 PolarHBondContact O-N 3.16Å; Y1043-R1051 WeakPolarHBondContact OH-CA 3.33Å; Y1043-R1051 WeakPolarHBondContact OH-CB 3.07Å; Y1043-R1051 WeakPolarHBondContact OH-CG 3.14Å; Y1043-I1054 HydrophobicContact CD1-CD1 3.61Å; Y1043-I1054 HydrophobicContact CD2-CD1 4.36Å; Y1043-I1054 HydrophobicContact CE1-CD1 3.41Å; Y1043-I1054 VanDerWaalsContact CE1-CD1 3.41Å; Y1043-I1054 HydrophobicContact CE2-CD1 4.18Å; Y1043-I1054 HydrophobicContact CG-CD1 4.08Å
1044	T	94.1	Very high	91.8	Very high	12 Å²	12	43.2 Å²	43.2	7%	0.074	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.2	-174.8	60.5	0	0	0	0	114	S454 F456 L458 D1040 I1041 G1046	S454-T1044 WeakPolarHBondContact O-CG2 3.37Å; F456-T1044 WeakPolarHBondContact O-CB 3.41Å; F456-T1044 WeakPolarHBondContact O-CG2 3.49Å; L458-T1044 WeakPolarHBondContact CB-O 3.47Å; L458-T1044 PolarHBondContact N-O 3.45Å; D1040-T1044 WeakPolarHBondContact O-CG2 3.31Å; D1040-T1044 PolarHBondContact O-N 2.84Å; I1041-T1044 PolarHBondContact O-OG1 3.44Å; I1041-T1044 VanDerWaalsContact O-OG1 3.06Å; T1044-G1046 VanDerWaalsContact C-N 3.29Å; T1044-G1046 PolarHBondContact O-N 2.93Å
1045	L	91.4	Very high	91.6	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-0.3	-171.2	-53.7	-177.4	0	0	0	116.2	I1041 L1042 Y1043 L1047	I1041-L1045 WeakPolarHBondContact O-CG 3.44Å; L1042-L1045 HydrophobicContact CD2-CD1 3.9Å; Y1043-L1045 VanDerWaalsContact C-N 3.29Å; Y1043-L1045 PolarHBondContact O-N 3.16Å; L1045-L1047 HydrophobicContact CB-CD1 4.05Å; L1045-L1047 HydrophobicContact CB-CG 3.92Å; L1045-L1047 HydrophobicContact CD1-CD1 3.91Å; L1045-L1047 PolarHBondContact O-N 3.42Å
1046	G	87.6	Confident	91.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	23%	0.234	C	C	.	.	S	Bend	trans	66.2	16.9	-174.3	0	0	0	0	0	114.6	T1044 H1048	T1044-G1046 VanDerWaalsContact C-N 3.29Å; T1044-G1046 PolarHBondContact O-N 2.93Å; G1046-H1048 VanDerWaalsContact C-N 3.35Å; G1046-H1048 PolarHBondContact O-CD2 2.88Å
1047	L	88.4	Confident	91	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.211	C	C	.	.			trans	-83.3	-10.4	177.3	-66.1	175.9	0	0	0	113.3	L494 Y872 Y875 L1045 L1049 N1095	L494-L1047 HydrophobicContact CD1-CD2 3.81Å; Y872-L1047 HydrophobicContact CD2-CD1 4.3Å; Y872-L1047 HydrophobicContact CD2-CD2 4.4Å; Y872-L1047 HydrophobicContact CE2-CD2 4.28Å; Y875-L1047 HydrophobicContact CD1-CD1 3.68Å; Y875-L1047 HydrophobicContact CD2-CD1 3.98Å; Y875-L1047 HydrophobicContact CE1-CD1 3.87Å; Y875-L1047 HydrophobicContact CE2-CD1 4.17Å; Y875-L1047 HydrophobicContact CG-CD1 3.73Å; L1045-L1047 HydrophobicContact CB-CD1 4.05Å; L1045-L1047 HydrophobicContact CB-CG 3.92Å; L1045-L1047 HydrophobicContact CD1-CD1 3.91Å; L1045-L1047 PolarHBondContact O-N 3.42Å; L1047-L1049 HydrophobicContact CB-CD1 4.23Å; L1047-L1049 HydrophobicContact CB-CD2 4.38Å; L1047-L1049 HydrophobicContact CB-CG 3.84Å; L1047-L1049 HydrophobicContact CD1-CD1 4.16Å; L1047-L1049 PolarHBondContact O-N 2.71Å; L1047-L1049 VanDerWaalsContact O-N 3.08Å; L1047-N1095 PolarHBondContact O-N 3.43Å
1048	H	87	Confident	90.6	Very high	87 Å²	87	42.7 Å²	42.7	40%	0.403	21%	0.208	S	C	.	.			trans	49.1	32.8	-179.3	-54.6	-80.2	0	0	0	115.1	D459 G1046 N1095 L1099	D459-H1048 IonicContact OD2-NE2 2.66Å; G1046-H1048 VanDerWaalsContact C-N 3.35Å; G1046-H1048 PolarHBondContact O-CD2 2.88Å; H1048-N1095 HydrophobicContact CB-CB 4.25Å; H1048-N1095 WeakPolarHBondContact O-CB 3.49Å; H1048-N1095 PolarHBondContact O-ND2 2.9Å; H1048-L1099 HydrophobicContact CB-CD1 4.09Å; H1048-L1099 VanDerWaalsContact CD2-CD1 3.41Å; H1048-L1099 WeakPolarHBondContact CD2-CD1 3.24Å
1049	L	89	Confident	90.1	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.068	24%	0.235	C	C	.	.			trans	-65.6	135.7	179.6	-58.8	174.7	0	0	0	110.7	Y875 L1047 Q1053 I1054 L1057	Y875-L1049 HydrophobicContact CD2-CD1 3.95Å; Y875-L1049 HydrophobicContact CE2-CD1 3.53Å; L1047-L1049 HydrophobicContact CB-CD1 4.23Å; L1047-L1049 HydrophobicContact CB-CD2 4.38Å; L1047-L1049 HydrophobicContact CB-CG 3.84Å; L1047-L1049 HydrophobicContact CD1-CD1 4.16Å; L1047-L1049 PolarHBondContact O-N 2.71Å; L1047-L1049 VanDerWaalsContact O-N 3.08Å; L1049-Q1053 HydrophobicContact CB-CB 4.48Å; L1049-I1054 HydrophobicContact CB-CD1 4.07Å; L1049-I1054 HydrophobicContact CB-CG1 3.71Å; L1049-I1054 HydrophobicContact CD1-CG1 4.16Å; L1049-L1057 HydrophobicContact CD1-CD1 4.42Å
1050	S	89.9	Confident	89.1	Confident	54 Å²	54	49.1 Å²	49.1	38%	0.378	24%	0.241	S	C	.	.			trans	-69.9	152.6	171.7	66.6	0	0	0	0	111.2	A1052 Q1053 I1054	S1050-A1052 PolarHBondContact O-N 2.86Å; S1050-A1052 VanDerWaalsContact O-N 3.09Å; S1050-Q1053 WeakPolarHBondContact O-CA 3.25Å; S1050-Q1053 WeakPolarHBondContact O-CB 3.47Å; S1050-Q1053 PolarHBondContact O-N 3.42Å; S1050-Q1053 WeakPolarHBondContact OG-CG 3.04Å; S1050-Q1053 PolarHBondContact OG-N 2.79Å; S1050-Q1053 PolarHBondContact OG-OE1 3.47Å; S1050-I1054 PolarHBondContact O-N 2.83Å
1051	R	90.2	Very high	88.4	Confident	172 Å²	172	47.2 Å²	47.2	65%	0.649	23%	0.232	S	C	*	.	H	α-helix	trans	-51.1	-35.7	175.1	-171.8	171.3	-169.4	-161.1	2.4	113.1	Y1043 I1054 K1055	Y1043-R1051 WeakPolarHBondContact OH-CA 3.33Å; Y1043-R1051 WeakPolarHBondContact OH-CB 3.07Å; Y1043-R1051 WeakPolarHBondContact OH-CG 3.14Å; R1051-I1054 PolarHBondContact O-N 3.4Å; R1051-K1055 WeakPolarHBondContact O-CB 3.33Å; R1051-K1055 WeakPolarHBondContact O-CG 3.33Å; R1051-K1055 PolarHBondContact O-N 3.37Å
1052	A	88.9	Confident	87.9	Confident	74 Å²	74	48 Å²	48	61%	0.612	24%	0.236	S	C	*	.	H	α-helix	trans	-68.2	-39.4	175.8	0	0	0	0	0	113	S1050 K1056	S1050-A1052 PolarHBondContact O-N 2.86Å; S1050-A1052 VanDerWaalsContact O-N 3.09Å; A1052-K1056 VanDerWaalsContact O-CB 3.29Å; A1052-K1056 WeakPolarHBondContact O-CB 3.5Å; A1052-K1056 PolarHBondContact O-N 3.4Å
1053	Q	88.9	Confident	87.3	Confident	65 Å²	65	51.4 Å²	51.4	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-65.4	-43.2	173.6	-73.7	161.9	-67.2	0	0	111.2	L1049 S1050 K1056 L1057 N1095	L1049-Q1053 HydrophobicContact CB-CB 4.48Å; S1050-Q1053 WeakPolarHBondContact O-CA 3.25Å; S1050-Q1053 WeakPolarHBondContact O-CB 3.47Å; S1050-Q1053 PolarHBondContact O-N 3.42Å; S1050-Q1053 WeakPolarHBondContact OG-CG 3.04Å; S1050-Q1053 PolarHBondContact OG-N 2.79Å; S1050-Q1053 PolarHBondContact OG-OE1 3.47Å; Q1053-K1056 PolarHBondContact O-N 2.78Å; Q1053-L1057 WeakPolarHBondContact O-CG 3.43Å; Q1053-L1057 PolarHBondContact O-N 3Å; Q1053-N1095 PolarHBondContact NE2-OD1 3.4Å; Q1053-N1095 PolarHBondContact OE1-ND2 2.89Å
1054	I	90.3	Very high	86.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-51.3	178.4	-60.1	-176.2	0	0	0	110.8	E1039 L1042 Y1043 L1049 S1050 R1051 K1056 L1057 L1058	E1039-I1054 HydrophobicContact CB-CG2 4.34Å; E1039-I1054 HydrophobicContact CG-CG2 3.85Å; L1042-I1054 HydrophobicContact CB-CD1 4.01Å; L1042-I1054 HydrophobicContact CB-CG2 4.38Å; L1042-I1054 HydrophobicContact CD1-CG2 3.87Å; Y1043-I1054 HydrophobicContact CD1-CD1 3.61Å; Y1043-I1054 HydrophobicContact CD2-CD1 4.36Å; Y1043-I1054 HydrophobicContact CE1-CD1 3.41Å; Y1043-I1054 VanDerWaalsContact CE1-CD1 3.41Å; Y1043-I1054 HydrophobicContact CE2-CD1 4.18Å; Y1043-I1054 HydrophobicContact CG-CD1 4.08Å; L1049-I1054 HydrophobicContact CB-CD1 4.07Å; L1049-I1054 HydrophobicContact CB-CG1 3.71Å; L1049-I1054 HydrophobicContact CD1-CG1 4.16Å; S1050-I1054 PolarHBondContact O-N 2.83Å; R1051-I1054 PolarHBondContact O-N 3.4Å; I1054-K1056 VanDerWaalsContact C-N 3.26Å; I1054-K1056 PolarHBondContact O-N 3.22Å; I1054-L1057 WeakPolarHBondContact O-CA 3.43Å; I1054-L1057 WeakPolarHBondContact O-CB 3.17Å; I1054-L1057 PolarHBondContact O-N 3.46Å; I1054-L1058 HydrophobicContact CG2-CD1 4.04Å; I1054-L1058 HydrophobicContact CG2-CG 4.16Å; I1054-L1058 WeakPolarHBondContact O-CG 3.4Å; I1054-L1058 PolarHBondContact O-N 2.79Å
1055	K	89.8	Confident	86.4	Confident	63 Å²	63	64.5 Å²	64.5	27%	0.274	31%	0.31	S	S	.	.	H	α-helix	trans	-55.1	-40	175	-73.7	-59	-158.8	-173.4	0	112.6	E1035 E1039 R1051 L1057 L1058 N1059	E1035-K1055 WeakPolarHBondContact OE1-CD 3.5Å; E1035-K1055 IonicContact OE1-NZ 3.89Å; E1035-K1055 PolarHBondContact OE1-NZ 2.93Å; E1039-K1055 WeakPolarHBondContact OE1-CE 3.2Å; E1039-K1055 IonicContact OE1-NZ 2.61Å; E1039-K1055 PolarHBondContact OE1-NZ 3.37Å; R1051-K1055 WeakPolarHBondContact O-CB 3.33Å; R1051-K1055 WeakPolarHBondContact O-CG 3.33Å; R1051-K1055 PolarHBondContact O-N 3.37Å; K1055-L1057 VanDerWaalsContact C-N 3.26Å; K1055-L1057 PolarHBondContact O-N 2.9Å; K1055-L1058 PolarHBondContact O-N 2.92Å; K1055-N1059 PolarHBondContact O-N 3.5Å; K1055-N1059 PolarHBondContact O-ND2 2.76Å; K1055-N1059 PolarHBondContact O-OD1 2.78Å
1056	K	87.5	Confident	86.4	Confident	161 Å²	161	65 Å²	65	70%	0.7	32%	0.315	S	S	*	.	H	α-helix	trans	-61.7	-30.2	175.7	-173.4	179.5	179	-175.4	0	113.4	A1052 Q1053 I1054	A1052-K1056 VanDerWaalsContact O-CB 3.29Å; A1052-K1056 WeakPolarHBondContact O-CB 3.5Å; A1052-K1056 PolarHBondContact O-N 3.4Å; Q1053-K1056 PolarHBondContact O-N 2.78Å; I1054-K1056 VanDerWaalsContact C-N 3.26Å; I1054-K1056 PolarHBondContact O-N 3.22Å
1057	L	86.8	Confident	86.6	Confident	26 Å²	26	65 Å²	65	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-75.9	-44.6	172.8	-65.8	163.5	0	0	0	111.4	Y875 A879 L1049 Q1053 I1054 K1055 P1061	Y875-L1057 HydrophobicContact CD2-CD1 4.06Å; Y875-L1057 HydrophobicContact CE2-CD1 3.73Å; A879-L1057 HydrophobicContact CB-CD2 4.17Å; L1049-L1057 HydrophobicContact CD1-CD1 4.42Å; Q1053-L1057 WeakPolarHBondContact O-CG 3.43Å; Q1053-L1057 PolarHBondContact O-N 3Å; I1054-L1057 WeakPolarHBondContact O-CA 3.43Å; I1054-L1057 WeakPolarHBondContact O-CB 3.17Å; I1054-L1057 PolarHBondContact O-N 3.46Å; K1055-L1057 VanDerWaalsContact C-N 3.26Å; K1055-L1057 PolarHBondContact O-N 2.9Å; L1057-P1061 VanDerWaalsContact O-CD 3.29Å; L1057-P1061 WeakPolarHBondContact O-CD 3.27Å
1058	L	87.9	Confident	86.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-73.8	-25.8	-174.3	-59.1	-167.1	0	0	0	114.4	L878 E1035 L1038 E1039 L1042 I1054 K1055 K1060 P1061 V1062	L878-L1058 HydrophobicContact CD1-CD2 3.67Å; E1035-L1058 HydrophobicContact CG-CB 4.44Å; E1035-L1058 HydrophobicContact CG-CD1 3.81Å; L1038-L1058 HydrophobicContact CD2-CD2 3.67Å; L1038-L1058 HydrophobicContact CG-CD1 4.39Å; L1038-L1058 HydrophobicContact CG-CD2 3.85Å; E1039-L1058 HydrophobicContact CG-CD1 3.6Å; L1042-L1058 HydrophobicContact CD1-CD2 3.97Å; I1054-L1058 HydrophobicContact CG2-CD1 4.04Å; I1054-L1058 HydrophobicContact CG2-CG 4.16Å; I1054-L1058 WeakPolarHBondContact O-CG 3.4Å; I1054-L1058 PolarHBondContact O-N 2.79Å; K1055-L1058 PolarHBondContact O-N 2.92Å; L1058-K1060 PolarHBondContact O-N 3.4Å; L1058-P1061 WeakPolarHBondContact O-CD 3.26Å; L1058-V1062 HydrophobicContact CB-CG2 4.01Å; L1058-V1062 VanDerWaalsContact O-CB 3.31Å; L1058-V1062 WeakPolarHBondContact O-CB 3.18Å; L1058-V1062 WeakPolarHBondContact O-CG2 3.45Å; L1058-V1062 PolarHBondContact O-N 3.07Å
1059	N	82.6	Confident	86.9	Confident	106 Å²	106	65.3 Å²	65.3	57%	0.567	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-14.6	178.6	-78.9	-10.2	0	0	0	116.1	K1055	K1055-N1059 PolarHBondContact O-N 3.5Å; K1055-N1059 PolarHBondContact O-ND2 2.76Å; K1055-N1059 PolarHBondContact O-OD1 2.78Å
1060	K	74.3	Confident	87	Confident	45 Å²	45	67.5 Å²	67.5	20%	0.196	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-50.5	180	-46.8	174.2	-159.2	158.3	0	114.7	L881 P882 R884 L1058	L881-K1060 HydrophobicContact CB-CD 4.06Å; L881-K1060 HydrophobicContact CD1-CB 4.39Å; L881-K1060 PolarHBondContact O-NZ 2.75Å; P882-K1060 WeakPolarHBondContact O-CD 3.37Å; P882-K1060 VanDerWaalsContact O-CE 3.31Å; P882-K1060 WeakPolarHBondContact O-CE 3.41Å; P882-K1060 PolarHBondContact O-NZ 2.97Å; R884-K1060 HydrophobicContact CG-CG 4.27Å; R884-K1060 PolarHBondContact NH2-O 3.32Å; L1058-K1060 PolarHBondContact O-N 3.4Å
1061	P	79.9	Confident	86.8	Confident	17 Å²	17	71 Å²	71	11%	0.11	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-28.8	179.5	32.1	-41.3	0	0	0	113.5	L878 L1057 L1058 L1072	L878-P1061 HydrophobicContact CD1-CG 4.29Å; L878-P1061 HydrophobicContact CD2-CB 3.95Å; L878-P1061 HydrophobicContact CD2-CG 3.74Å; L1057-P1061 VanDerWaalsContact O-CD 3.29Å; L1057-P1061 WeakPolarHBondContact O-CD 3.27Å; L1058-P1061 WeakPolarHBondContact O-CD 3.26Å; P1061-L1072 HydrophobicContact CB-CD1 4.2Å; P1061-L1072 HydrophobicContact CB-CD2 4.47Å
1062	V	84.4	Confident	86.6	Confident	16 Å²	16	64.9 Å²	64.9	10%	0.097	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	135	-178.1	179.6	0	0	0	0	110.2	E1035 L1058 C1067	E1035-V1062 HydrophobicContact CB-CG1 4.12Å; E1035-V1062 HydrophobicContact CB-CG2 4.26Å; E1035-V1062 HydrophobicContact CG-CG1 4.36Å; E1035-V1062 HydrophobicContact CG-CG2 4.13Å; E1035-V1062 WeakPolarHBondContact OE2-CG1 3.18Å; L1058-V1062 HydrophobicContact CB-CG2 4.01Å; L1058-V1062 VanDerWaalsContact O-CB 3.31Å; L1058-V1062 WeakPolarHBondContact O-CB 3.18Å; L1058-V1062 WeakPolarHBondContact O-CG2 3.45Å; L1058-V1062 PolarHBondContact O-N 3.07Å; V1062-C1067 HydrophobicContact CG2-CB 4.14Å
1063	V	80.7	Confident	86.6	Confident	75 Å²	75	61.4 Å²	61.4	46%	0.455	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	115.8	172.5	179.5	0	0	0	0	107.8	S1066	V1063-S1066 PolarHBondContact N-O 2.78Å; V1063-S1066 PolarHBondContact O-N 2.77Å
1064	R	81	Confident	86.7	Confident	235 Å²	235	59.1 Å²	59.1	89%	0.887	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	59.8	-172.7	-57.1	177.2	179.3	-177.8	-3.1	111.4	S1066	R1064-S1066 PolarHBondContact O-N 3.39Å; R1064-S1066 PolarHBondContact O-OG 3.25Å
1065	E	87.3	Confident	86.3	Confident	141 Å²	141	62.6 Å²	62.6	66%	0.659	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	6.7	177.5	-57.7	172.3	-174.6	0	0	115	L1034 E1035	L1034-E1065 CarbonylContact C-O 3.59Å; L1034-E1065 WeakPolarHBondContact CA-O 3.39Å; E1035-E1065 PolarHBondContact N-O 3.08Å
1066	S	91.4	Very high	86	Confident	14 Å²	14	59.7 Å²	59.7	10%	0.098	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.2	-179.8	-60.2	0	0	0	0	112.6	V1063 R1064 Y1068	V1063-S1066 PolarHBondContact N-O 2.78Å; V1063-S1066 PolarHBondContact O-N 2.77Å; R1064-S1066 PolarHBondContact O-N 3.39Å; R1064-S1066 PolarHBondContact O-OG 3.25Å; S1066-Y1068 PolarHBondContact O-N 3.48Å
1067	C	91.6	Very high	85.2	Confident	1 Å²	1	58 Å²	58	1%	0.007	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	94.3	170.5	177.8	0	0	0	0	110.3	Y1032 L1033 L1038 V1062 Y1069	Y1032-C1067 VanDerWaalsContact CA-O 3.22Å; Y1032-C1067 WeakPolarHBondContact CA-O 3.39Å; L1033-C1067 PolarHBondContact N-O 3.47Å; L1033-C1067 PolarHBondContact O-N 2.77Å; L1038-C1067 HydrophobicContact CD2-CB 3.85Å; V1062-C1067 HydrophobicContact CG2-CB 4.14Å; C1067-Y1069 VanDerWaalsContact C-N 3.34Å; C1067-Y1069 PolarHBondContact O-N 3.04Å
1068	Y	91.1	Very high	84.3	Confident	91 Å²	91	62.9 Å²	62.9	36%	0.357	29%	0.289	S	S	.	.			trans	-74.4	79.9	177.4	-67.3	-81.7	0	0	0	111.8	Y1032 S1066 R1070 K1071	Y1032-Y1068 HydrophobicContact CD1-CE1 4.18Å; Y1032-Y1068 HydrophobicContact CG-CD1 4.43Å; Y1032-Y1068 HydrophobicContact CG-CE1 4.22Å; S1066-Y1068 PolarHBondContact O-N 3.48Å; Y1068-R1070 PolarHBondContact O-N 3.41Å; Y1068-R1070 VanDerWaalsContact O-N 3.11Å; Y1068-K1071 WeakPolarHBondContact O-CB 3.49Å; Y1068-K1071 PolarHBondContact O-N 3.25Å
1069	Y	92	Very high	83.3	Confident	3 Å²	3	66.7 Å²	66.7	1%	0.012	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.2	-167.8	61.5	-101.2	0	0	0	115.1	L1019 F1022 V1023 D1026 Y1032 C1067 K1071 L1072 T1073	L1019-Y1069 HydrophobicContact CD1-CD2 3.82Å; L1019-Y1069 HydrophobicContact CD1-CE2 3.55Å; F1022-Y1069 HydrophobicContact CB-CD1 3.84Å; F1022-Y1069 HydrophobicContact CB-CD2 3.57Å; F1022-Y1069 HydrophobicContact CB-CE1 4.16Å; F1022-Y1069 HydrophobicContact CB-CE2 3.91Å; F1022-Y1069 HydrophobicContact CB-CG 3.53Å; F1022-Y1069 AromaticContact CD1-CD1 4Å; F1022-Y1069 HydrophobicContact CD1-CD1 4Å; F1022-Y1069 AromaticContact CD1-CG 3.89Å; F1022-Y1069 HydrophobicContact CD1-CG 3.89Å; F1022-Y1069 VanDerWaalsContact CD2-CB 3.44Å; F1022-Y1069 HydrophobicContact CD2-CD2 4.26Å; F1022-Y1069 HydrophobicContact CD2-CG 4.01Å; F1022-Y1069 HydrophobicContact CG-CD1 4.03Å; F1022-Y1069 AromaticContact CG-CD2 3.98Å; F1022-Y1069 HydrophobicContact CG-CD2 3.98Å; F1022-Y1069 AromaticContact CG-CG 3.56Å; F1022-Y1069 HydrophobicContact CG-CG 3.56Å; V1023-Y1069 HydrophobicContact CG2-CE2 4.27Å; D1026-Y1069 HydrophobicContact CB-CE1 4.11Å; D1026-Y1069 PolarHBondContact OD2-OH 2.78Å; D1026-Y1069 VanDerWaalsContact OD2-OH 3.05Å; Y1032-Y1069 VanDerWaalsContact N-CE1 3.29Å; C1067-Y1069 VanDerWaalsContact C-N 3.34Å; C1067-Y1069 PolarHBondContact O-N 3.04Å; Y1069-K1071 PolarHBondContact O-N 2.96Å; Y1069-K1071 VanDerWaalsContact O-N 3.14Å; Y1069-L1072 WeakPolarHBondContact O-CA 3.18Å; Y1069-L1072 VanDerWaalsContact O-CB 3.29Å; Y1069-L1072 WeakPolarHBondContact O-CB 3.24Å; Y1069-L1072 PolarHBondContact O-N 3.45Å; Y1069-T1073 PolarHBondContact O-N 3.12Å
1070	R	89.8	Confident	81.9	Confident	59 Å²	59	66.2 Å²	66.2	22%	0.223	32%	0.317	C	S	.	.	H	α-helix	trans	-55.9	-28.5	171.7	-72.6	-75.3	-177.4	164	0.3	113.5	C552 A553 Y1068 L1072 T1073 D1074	C552-R1070 PolarHBondContact O-NH2 2.6Å; A553-R1070 PolarHBondContact O-NH1 3.34Å; A553-R1070 VanDerWaalsContact O-NH1 3.09Å; A553-R1070 PolarHBondContact O-NH2 2.88Å; Y1068-R1070 PolarHBondContact O-N 3.41Å; Y1068-R1070 VanDerWaalsContact O-N 3.11Å; R1070-L1072 PolarHBondContact O-N 2.99Å; R1070-T1073 PolarHBondContact O-OG1 2.78Å; R1070-D1074 WeakPolarHBondContact CD-OD2 3.42Å; R1070-D1074 IonicContact CZ-OD2 3.74Å; R1070-D1074 IonicContact NE-OD2 2.75Å; R1070-D1074 IonicContact NH1-OD1 2.8Å; R1070-D1074 IonicContact NH1-OD2 3.98Å; R1070-D1074 PolarHBondContact NH1-OD2 3.46Å; R1070-D1074 VanDerWaalsContact NH1-OD2 3.15Å; R1070-D1074 WeakPolarHBondContact O-CB 3.36Å; R1070-D1074 PolarHBondContact O-N 2.78Å
1071	K	87.4	Confident	81	Confident	128 Å²	128	67.8 Å²	67.8	56%	0.557	34%	0.338	S	S	*	.	H	α-helix	trans	-73.6	-13.3	173.9	-58.2	174.9	-171.8	158.7	0	113	Y1068 Y1069 R1075	Y1068-K1071 WeakPolarHBondContact O-CB 3.49Å; Y1068-K1071 PolarHBondContact O-N 3.25Å; Y1069-K1071 PolarHBondContact O-N 2.96Å; Y1069-K1071 VanDerWaalsContact O-N 3.14Å; K1071-R1075 PolarHBondContact O-NH1 3.33Å
1072	L	85.9	Confident	79.8	Confident	42 Å²	42	70.7 Å²	70.7	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-94.6	-34	175.3	-52.9	177.9	0	0	0	111.5	L878 L1018 F1022 P1061 Y1069 R1070	L878-L1072 HydrophobicContact CD2-CD1 4.09Å; L1018-L1072 HydrophobicContact CD2-CB 4.45Å; F1022-L1072 HydrophobicContact CE2-CD1 4.09Å; F1022-L1072 HydrophobicContact CZ-CD1 3.95Å; P1061-L1072 HydrophobicContact CB-CD1 4.2Å; P1061-L1072 HydrophobicContact CB-CD2 4.47Å; Y1069-L1072 WeakPolarHBondContact O-CA 3.18Å; Y1069-L1072 VanDerWaalsContact O-CB 3.29Å; Y1069-L1072 WeakPolarHBondContact O-CB 3.24Å; Y1069-L1072 PolarHBondContact O-N 3.45Å; R1070-L1072 PolarHBondContact O-N 2.99Å
1073	T	88.9	Confident	78.1	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.012	39%	0.389	C	S	.	.	H	α-helix	trans	-92.7	-35	-173.2	61.6	0	0	0	0	114.5	Q1014 N1015 L1018 L1019 Y1069 R1070	Q1014-T1073 PolarHBondContact N-O 2.82Å; N1015-T1073 PolarHBondContact N-O 2.94Å; L1018-T1073 HydrophobicContact CB-CG2 4.34Å; L1018-T1073 HydrophobicContact CD2-CG2 4.37Å; L1018-T1073 HydrophobicContact CG-CG2 4.17Å; L1019-T1073 HydrophobicContact CB-CG2 3.72Å; L1019-T1073 HydrophobicContact CD1-CG2 4.16Å; Y1069-T1073 PolarHBondContact O-N 3.12Å; R1070-T1073 PolarHBondContact O-OG1 2.78Å
1074	D	89.6	Confident	76.7	Confident	16 Å²	16	74.9 Å²	74.9	9%	0.086	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.5	-168.4	-54.1	-8.9	0	0	0	110.6	A555 M1011 V1012 T1013 R1070	A555-D1074 HydrophobicContact CB-CB 4.47Å; M1011-D1074 HydrophobicContact CE-CB 3.85Å; V1012-D1074 WeakPolarHBondContact O-CA 3.41Å; T1013-D1074 WeakPolarHBondContact CB-OD1 3.33Å; T1013-D1074 WeakPolarHBondContact CG2-OD1 3.37Å; T1013-D1074 PolarHBondContact OG1-OD1 2.73Å; R1070-D1074 WeakPolarHBondContact CD-OD2 3.42Å; R1070-D1074 IonicContact CZ-OD2 3.74Å; R1070-D1074 IonicContact NE-OD2 2.75Å; R1070-D1074 IonicContact NH1-OD1 2.8Å; R1070-D1074 IonicContact NH1-OD2 3.98Å; R1070-D1074 PolarHBondContact NH1-OD2 3.46Å; R1070-D1074 VanDerWaalsContact NH1-OD2 3.15Å; R1070-D1074 WeakPolarHBondContact O-CB 3.36Å; R1070-D1074 PolarHBondContact O-N 2.78Å
1075	R	83.5	Confident	75.2	Confident	74 Å²	74	67.9 Å²	67.9	28%	0.279	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.1	-179.4	-70.5	-69	175.1	-88.9	-0.7	111.2	M1011 V1012 Q1014 K1071 E1079	M1011-R1075 CarbonylContact C-O 3.58Å; M1011-R1075 WeakPolarHBondContact CA-O 3.31Å; V1012-R1075 PolarHBondContact N-O 2.9Å; V1012-R1075 PolarHBondContact O-N 2.82Å; Q1014-R1075 HydrophobicContact CG-CB 4.08Å; Q1014-R1075 HydrophobicContact CG-CG 4.33Å; K1071-R1075 PolarHBondContact O-NH1 3.33Å; R1075-E1079 HydrophobicContact CB-CB 4.37Å; R1075-E1079 WeakPolarHBondContact CD-OE2 3.42Å
1076	G	81.5	Confident	73.5	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142.3	167.3	0	0	0	0	0	110.7	D1078 E1079	G1076-D1078 PolarHBondContact O-N 2.9Å; G1076-E1079 PolarHBondContact N-OE2 3.4Å; G1076-E1079 WeakPolarHBondContact O-CB 3.38Å; G1076-E1079 PolarHBondContact O-N 3.48Å
1077	K	71.6	Confident	71.4	Confident	126 Å²	126	70 Å²	70	55%	0.548	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-35.6	-176.9	-166.3	176.1	-167.9	172.4	0	115	Q1010 V1012	Q1010-K1077 HydrophobicContact CB-CB 4.38Å; Q1010-K1077 HydrophobicContact CB-CD 4.3Å; Q1010-K1077 WeakPolarHBondContact O-CB 3.14Å; Q1010-K1077 PolarHBondContact O-N 3.21Å; V1012-K1077 HydrophobicContact CG2-CB 4.11Å; V1012-K1077 HydrophobicContact CG2-CG 4.15Å
1078	D	67.1	Low	69.4	Low	128 Å²	128	77.2 Å²	77.2	68%	0.684	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	8.3	-176	-22.7	-82.4	0	0	0	113.5	K1009 G1076	K1009-D1078 WeakPolarHBondContact CE-OD2 3.26Å; K1009-D1078 IonicContact NZ-OD2 3.85Å; G1076-D1078 PolarHBondContact O-N 2.9Å
1079	E	67.3	Low	68.1	Low	81 Å²	81	73.7 Å²	73.7	38%	0.379	42%	0.416	S	S	.	.	S	Bend	trans	-88	118.8	171.2	-81.4	145.6	-143.5	0	0	110.4	K1009 Q1014 R1075 G1076 A1081	K1009-E1079 IonicContact NZ-OE1 2.71Å; K1009-E1079 PolarHBondContact NZ-OE1 2.89Å; Q1014-E1079 PolarHBondContact NE2-O 2.85Å; R1075-E1079 HydrophobicContact CB-CB 4.37Å; R1075-E1079 WeakPolarHBondContact CD-OE2 3.42Å; G1076-E1079 PolarHBondContact N-OE2 3.4Å; G1076-E1079 WeakPolarHBondContact O-CB 3.38Å; G1076-E1079 PolarHBondContact O-N 3.48Å; E1079-A1081 PolarHBondContact O-N 3.06Å
1080	A	53.5	Low	66.3	Low	96 Å²	96	82.3 Å²	82.3	79%	0.793	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-52.6	136.4	174.6	0	0	0	0	0	111.3	A1082	A1080-A1082 PolarHBondContact O-N 3.32Å
1081	A	55.7	Low	65.1	Low	77 Å²	77	83.5 Å²	83.5	64%	0.636	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-59.2	126.5	-178.9	0	0	0	0	0	110.7	E1079 S1083	E1079-A1081 PolarHBondContact O-N 3.06Å; A1081-S1083 PolarHBondContact O-N 2.96Å; A1081-S1083 VanDerWaalsContact O-N 3.13Å
1082	A	55.7	Low	64.2	Low	78 Å²	78	80 Å²	80	65%	0.645	46%	0.455	S	S	*	.			trans	-70.8	108.3	175.3	0	0	0	0	0	109	A1080 L1084	A1080-A1082 PolarHBondContact O-N 3.32Å; A1082-L1084 PolarHBondContact O-N 3.29Å
1083	S	46.6	Very low	63.6	Low	89 Å²	89	81.1 Å²	81.1	62%	0.622	46%	0.463	S	S	*	.			trans	-61.6	121.8	176.7	57.7	0	0	0	0	109.8	A1081 N1085	A1081-S1083 PolarHBondContact O-N 2.96Å; A1081-S1083 VanDerWaalsContact O-N 3.13Å; S1083-N1085 VanDerWaalsContact C-N 3.29Å; S1083-N1085 WeakPolarHBondContact CB-OD1 3.21Å; S1083-N1085 PolarHBondContact O-N 2.78Å; S1083-N1085 PolarHBondContact O-OD1 2.85Å; S1083-N1085 PolarHBondContact OG-OD1 3.46Å
1084	L	52.6	Low	63.2	Low	90 Å²	90	81.1 Å²	81.1	47%	0.471	46%	0.464	S	S	.	.			trans	-70.3	91.6	169.4	-68.1	174.8	0	0	0	107.5	S880 A1082 E1086	S880-L1084 WeakPolarHBondContact OG-CD2 3.11Å; A1082-L1084 PolarHBondContact O-N 3.29Å; L1084-E1086 PolarHBondContact O-N 2.75Å
1085	N	48.7	Very low	62.9	Low	89 Å²	89	81.6 Å²	81.6	48%	0.476	47%	0.466	S	S	.	.			trans	-70.7	78.3	-177.9	-72.1	-0.9	0	0	0	110.5	S1083 A1087 H1088	S1083-N1085 VanDerWaalsContact C-N 3.29Å; S1083-N1085 WeakPolarHBondContact CB-OD1 3.21Å; S1083-N1085 PolarHBondContact O-N 2.78Å; S1083-N1085 PolarHBondContact O-OD1 2.85Å; S1083-N1085 PolarHBondContact OG-OD1 3.46Å; N1085-A1087 PolarHBondContact O-N 2.76Å; N1085-A1087 VanDerWaalsContact O-N 3.09Å; N1085-H1088 PolarHBondContact O-N 2.75Å
1086	E	51.3	Low	62.6	Low	96 Å²	96	83.3 Å²	83.3	45%	0.449	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-54.4	-30.3	-176.6	-175.9	148.8	-166.7	0	0	113.2	K876 L1084 H1088 I1089	K876-E1086 VanDerWaalsContact CE-CD 3.48Å; K876-E1086 WeakPolarHBondContact CE-OE1 3.3Å; K876-E1086 WeakPolarHBondContact CE-OE2 3.34Å; K876-E1086 IonicContact NZ-OE1 3.6Å; K876-E1086 PolarHBondContact NZ-OE1 3.47Å; K876-E1086 IonicContact NZ-OE2 3.75Å; K876-E1086 PolarHBondContact NZ-OE2 2.86Å; L1084-E1086 PolarHBondContact O-N 2.75Å; E1086-H1088 PolarHBondContact O-N 2.72Å; E1086-I1089 PolarHBondContact O-N 2.74Å; E1086-I1089 VanDerWaalsContact O-N 3.1Å
1087	A	47.7	Very low	62.1	Low	103 Å²	103	87.1 Å²	87.1	85%	0.851	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-62.2	-3.2	173.2	0	0	0	0	0	115.7	N1085	N1085-A1087 PolarHBondContact O-N 2.76Å; N1085-A1087 VanDerWaalsContact O-N 3.09Å
1088	H	50.1	Low	62.4	Low	152 Å²	152	87.7 Å²	87.7	70%	0.704	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-103.1	1.3	173.6	-79.8	54.2	0	0	0	114	N1085 E1086 E1090	N1085-H1088 PolarHBondContact O-N 2.75Å; E1086-H1088 PolarHBondContact O-N 2.72Å; H1088-E1090 PolarHBondContact O-N 2.72Å
1089	I	62.9	Low	62.7	Low	17 Å²	17	85.6 Å²	85.6	9%	0.087	50%	0.501	C	S	.	.			trans	-92.3	83.5	-178.5	-51.4	-179.5	0	0	0	110	K876 A879 E1086 N1091 L1092	K876-I1089 HydrophobicContact CG-CD1 3.76Å; A879-I1089 HydrophobicContact CB-CG2 4.22Å; E1086-I1089 PolarHBondContact O-N 2.74Å; E1086-I1089 VanDerWaalsContact O-N 3.1Å; I1089-N1091 PolarHBondContact O-N 3.37Å; I1089-L1092 HydrophobicContact CB-CD2 4.08Å; I1089-L1092 HydrophobicContact CB-CG 4.14Å; I1089-L1092 HydrophobicContact CD1-CD2 4.28Å; I1089-L1092 HydrophobicContact CG2-CD2 3.78Å; I1089-L1092 HydrophobicContact CG2-CG 3.87Å
1090	E	55.1	Low	62.3	Low	184 Å²	184	87.6 Å²	87.6	86%	0.86	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.5	-175.7	-63.2	178.3	149.1	0	0	115.1	H1088	H1088-E1090 PolarHBondContact O-N 2.72Å
1091	N	64.1	Low	62	Low	84 Å²	84	88 Å²	88	45%	0.449	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	58.6	-174.7	-72.9	-84.5	0	0	0	112.5	Y875 I1089 T1093 G1094	Y875-N1091 PolarHBondContact OH-O 2.73Å; Y875-N1091 VanDerWaalsContact OH-O 3.11Å; I1089-N1091 PolarHBondContact O-N 3.37Å; N1091-T1093 PolarHBondContact O-N 2.71Å; N1091-G1094 PolarHBondContact O-N 3.44Å
1092	L	69.1	Low	61.5	Low	55 Å²	55	90 Å²	90	29%	0.288	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-37.7	178.1	-78.1	160.7	0	0	0	113.5	Y872 I1089 G1094	Y872-L1092 WeakPolarHBondContact CE2-O 3.33Å; Y872-L1092 PolarHBondContact OH-O 3.01Å; I1089-L1092 HydrophobicContact CB-CD2 4.08Å; I1089-L1092 HydrophobicContact CB-CG 4.14Å; I1089-L1092 HydrophobicContact CD1-CD2 4.28Å; I1089-L1092 HydrophobicContact CG2-CD2 3.78Å; I1089-L1092 HydrophobicContact CG2-CG 3.87Å; L1092-G1094 VanDerWaalsContact C-N 3.33Å; L1092-G1094 PolarHBondContact O-N 3.06Å
1093	T	73.3	Confident	60.6	Low	65 Å²	65	95.7 Å²	95.7	40%	0.399	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	9.9	178.2	52	0	0	0	0	114.4	N1091 R1096	N1091-T1093 PolarHBondContact O-N 2.71Å; T1093-R1096 WeakPolarHBondContact O-CB 3.31Å; T1093-R1096 PolarHBondContact O-N 3.49Å
1094	G	80.8	Confident	59.9	Low	2 Å²	2	96.1 Å²	96.1	2%	0.021	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	57.6	-146.1	-173.8	0	0	0	0	0	112.7	N1091 L1092 R1096	N1091-G1094 PolarHBondContact O-N 3.44Å; L1092-G1094 VanDerWaalsContact C-N 3.33Å; L1092-G1094 PolarHBondContact O-N 3.06Å; G1094-R1096 VanDerWaalsContact C-N 3.28Å; G1094-R1096 PolarHBondContact O-N 3.46Å
1095	N	83.4	Confident	58.8	Low	26 Å²	26	100.8 Å²	100.8	14%	0.139	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-81.6	-1.1	179.7	-63.6	-19.1	0	0	0	113.3	L1047 H1048 Q1053 A1097 L1098	L1047-N1095 PolarHBondContact O-N 3.43Å; H1048-N1095 HydrophobicContact CB-CB 4.25Å; H1048-N1095 WeakPolarHBondContact O-CB 3.49Å; H1048-N1095 PolarHBondContact O-ND2 2.9Å; Q1053-N1095 PolarHBondContact NE2-OD1 3.4Å; Q1053-N1095 PolarHBondContact OE1-ND2 2.89Å; N1095-A1097 PolarHBondContact O-N 2.76Å; N1095-A1097 VanDerWaalsContact O-N 3.16Å; N1095-L1098 HydrophobicContact CB-CD1 4.4Å; N1095-L1098 WeakPolarHBondContact O-CB 3.44Å; N1095-L1098 PolarHBondContact O-N 2.88Å
1096	R	76.1	Confident	58	Low	110 Å²	110	100.5 Å²	100.5	42%	0.415	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-58.5	-31.4	-174.2	-174.2	172.5	171.7	135.6	-6.5	113.3	D459 T1093 G1094 L1098 L1099	D459-R1096 IonicContact OD2-CZ 2.78Å; D459-R1096 IonicContact OD2-NH1 2.63Å; D459-R1096 PolarHBondContact OD2-NH1 2.76Å; T1093-R1096 WeakPolarHBondContact O-CB 3.31Å; T1093-R1096 PolarHBondContact O-N 3.49Å; G1094-R1096 VanDerWaalsContact C-N 3.28Å; G1094-R1096 PolarHBondContact O-N 3.46Å; R1096-L1098 PolarHBondContact O-N 3.29Å; R1096-L1099 PolarHBondContact O-N 3.09Å
1097	A	70.8	Confident	57.1	Low	81 Å²	81	101.6 Å²	101.6	67%	0.669	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-70.3	-12.3	175.3	0	0	0	0	0	114.3	N1095	N1095-A1097 PolarHBondContact O-N 2.76Å; N1095-A1097 VanDerWaalsContact O-N 3.16Å
1098	L	77.4	Confident	56.3	Low	138 Å²	138	102.1 Å²	102.1	72%	0.723	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-95.6	-4.3	178.6	-53.1	176.8	0	0	0	112.7	N1095 R1096	N1095-L1098 HydrophobicContact CB-CD1 4.4Å; N1095-L1098 WeakPolarHBondContact O-CB 3.44Å; N1095-L1098 PolarHBondContact O-N 2.88Å; R1096-L1098 PolarHBondContact O-N 3.29Å
1099	L	73.6	Confident	55.5	Low	85 Å²	85	103.6 Å²	103.6	45%	0.445	60%	0.596	S	S	.	*	S	Bend	trans	-92.9	148.3	-179.8	-62.2	-175.6	0	0	0	111.6	H1048 R1096 S1101	H1048-L1099 HydrophobicContact CB-CD1 4.09Å; H1048-L1099 VanDerWaalsContact CD2-CD1 3.41Å; H1048-L1099 WeakPolarHBondContact CD2-CD1 3.24Å; R1096-L1099 PolarHBondContact O-N 3.09Å; L1099-S1101 PolarHBondContact O-N 2.75Å; L1099-S1101 VanDerWaalsContact O-N 3.1Å
1100	P	60.4	Low	54.1	Low	122 Å²	122	107.2 Å²	107.2	79%	0.792	63%	0.628	S	S	*	*			trans	-60.8	114.6	171.6	-20.7	32.8	0	0	0	110.7	P1102	P1100-P1102 WeakPolarHBondContact O-CD 3.5Å
1101	S	46.3	Very low	53.1	Low	104 Å²	104	104.4 Å²	104.4	73%	0.727	63%	0.629	S	S	*	*			trans	-65.4	123.2	174.8	-179.5	0	0	0	0	110.2	L1099 K1103	L1099-S1101 PolarHBondContact O-N 2.75Å; L1099-S1101 VanDerWaalsContact O-N 3.1Å; S1101-K1103 PolarHBondContact O-N 2.75Å
1102	P	45.2	Very low	51.7	Low	121 Å²	121	109.3 Å²	109.3	79%	0.786	65%	0.649	S	S	*	*			trans	-71.6	100.4	177.3	29.1	-33.1	0	0	0	109.5	P1100 A1104	P1100-P1102 WeakPolarHBondContact O-CD 3.5Å; P1102-A1104 PolarHBondContact O-N 3.46Å; P1102-A1104 VanDerWaalsContact O-N 3.14Å
1103	K	35.9	Very low	50.3	Low	196 Å²	196	111.8 Å²	111.8	85%	0.852	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-60.5	116.9	165.2	-66.9	-176.1	-179.9	-178.9	0	107.8	S1101 H1105	S1101-K1103 PolarHBondContact O-N 2.75Å; K1103-H1105 PolarHBondContact O-N 2.77Å
1104	A	31.9	Very low	49	Very low	99 Å²	99	111.9 Å²	111.9	82%	0.818	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-53.9	133.4	178.9	0	0	0	0	0	110.5	P1102 A1106	P1102-A1104 PolarHBondContact O-N 3.46Å; P1102-A1104 VanDerWaalsContact O-N 3.14Å; A1104-A1106 PolarHBondContact O-N 2.71Å
1105	H	30.7	Very low	47.8	Very low	187 Å²	187	116.3 Å²	116.3	87%	0.866	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-68.2	118.4	-172.9	-102.1	-85.2	0	0	0	111.7	K1103	K1103-H1105 PolarHBondContact O-N 2.77Å
1106	A	30.8	Very low	46.6	Very low	84 Å²	84	119.8 Å²	119.8	69%	0.694	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-68.8	158.5	155.8	0	0	0	0	0	110.2	A1104 S1108	A1104-A1106 PolarHBondContact O-N 2.71Å; A1106-S1108 PolarHBondContact O-N 2.87Å
1107	S	33.7	Very low	46	Very low	118 Å²	118	119.2 Å²	119.2	83%	0.825	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-51.5	132.8	-177	43.5	0	0	0	0	113.6
1108	S	30.7	Very low	45.7	Very low	114 Å²	114	120 Å²	120	80%	0.797	73%	0.726	S	S	*	*			trans	-103.7	90.9	172.4	-178.3	0	0	0	0	109.9	A1106	A1106-S1108 PolarHBondContact O-N 2.87Å
1109	E	32	Very low	44.9	Very low	183 Å²	183	121.1 Å²	121.1	86%	0.855	72%	0.722	S	S	*	*			trans	-72.8	146.1	162.6	-68.6	-171.5	134.9	0	0	110.3
1110	A	34.8	Very low	44.2	Very low	94 Å²	94	124 Å²	124	78%	0.777	74%	0.738	S	S	*	*			trans	-88.2	151.5	175.4	0	0	0	0	0	111.1
1111	S	33.1	Very low	44.3	Very low	124 Å²	124	121.6 Å²	121.6	87%	0.867	74%	0.735	S	S	*	*			trans	-150.7	133.5	164.9	-73.3	0	0	0	0	108.7
1112	E	36.4	Very low	44.9	Very low	188 Å²	188	119.3 Å²	119.3	88%	0.879	72%	0.723	S	S	*	*			trans	-84.8	141.1	-170.6	-66.4	-173.2	108	0	0	113.3
1113	S	37.8	Very low	46	Very low	107 Å²	107	120.5 Å²	120.5	75%	0.748	72%	0.72	S	S	*	*			trans	29.8	121.8	149.8	58.2	0	0	0	0	120.4
1114	G	47.9	Very low	47.6	Very low	66 Å²	66	113.6 Å²	113.6	68%	0.68	69%	0.694	S	S	*	*			trans	-162	-20	165.9	0	0	0	0	0	118.7
1115	N	54.5	Low	49.7	Very low	96 Å²	96	111.6 Å²	111.6	51%	0.513	67%	0.669	S	S	.	*			trans	-142.9	40.1	-169.8	-83.7	-56.7	0	0	0	115.2	D1125 V1126	N1115-D1125 WeakPolarHBondContact O-CA 3.49Å; N1115-V1126 PolarHBondContact O-N 2.78Å
1116	L	58.2	Low	51.8	Low	98 Å²	98	105 Å²	105	51%	0.513	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.8	125.8	172.3	-87.5	69.8	0	0	0	111.3	M1123 V1124 D1125	L1116-M1123 HydrophobicContact CD2-CB 4.29Å; L1116-M1123 HydrophobicContact CD2-SD 4.09Å; L1116-V1124 WeakPolarHBondContact CA-O 2.87Å; L1116-D1125 HydrophobicContact CD1-CB 3.74Å; L1116-D1125 HydrophobicContact CG-CB 4.25Å
1117	I	64.5	Low	54.1	Low	99 Å²	99	102.3 Å²	102.3	51%	0.508	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.1	137.5	173.7	-55.5	-175.1	0	0	0	108.5	V1124 V1126	I1117-V1124 PolarHBondContact N-O 3.34Å; I1117-V1124 PolarHBondContact O-N 3.18Å; I1117-V1126 HydrophobicContact CB-CG2 4.32Å; I1117-V1126 HydrophobicContact CD1-CG2 4Å; I1117-V1126 HydrophobicContact CG1-CG2 4.17Å
1118	V	62.7	Low	56.1	Low	96 Å²	96	98.5 Å²	98.5	58%	0.582	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.7	116.9	174.1	178.9	0	0	0	0	109.7	A1122 M1123	V1118-A1122 CarbonylContact C-O 3.47Å; V1118-A1122 WeakPolarHBondContact CA-O 3.23Å; V1118-M1123 HydrophobicContact CG2-CG 3.8Å
1119	Y	61.4	Low	58.3	Low	162 Å²	162	98.2 Å²	98.2	64%	0.635	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.7	125	173.7	-173.6	-103.5	0	0	0	109.7	G1121 A1122	Y1119-G1121 PolarHBondContact O-N 2.85Å; Y1119-G1121 VanDerWaalsContact O-N 3.07Å; Y1119-A1122 PolarHBondContact N-O 2.83Å; Y1119-A1122 PolarHBondContact O-N 2.74Å
1120	N	59	Low	60.6	Low	145 Å²	145	95 Å²	95	78%	0.775	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.6	33.5	-176.3	-63.9	-8.8	0	0	0	114.6
1121	G	63.2	Low	62.9	Low	72 Å²	72	95.5 Å²	95.5	74%	0.742	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.4	-8.5	-179.7	0	0	0	0	0	115.6	Y1119	Y1119-G1121 PolarHBondContact O-N 2.85Å; Y1119-G1121 VanDerWaalsContact O-N 3.07Å
1122	A	58.8	Low	65.2	Low	57 Å²	57	95.9 Å²	95.9	47%	0.471	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138	173.2	0	0	0	0	0	111.1	V1118 Y1119	V1118-A1122 CarbonylContact C-O 3.47Å; V1118-A1122 WeakPolarHBondContact CA-O 3.23Å; Y1119-A1122 PolarHBondContact N-O 2.83Å; Y1119-A1122 PolarHBondContact O-N 2.74Å
1123	M	67.9	Low	67.5	Low	145 Å²	145	91.1 Å²	91.1	71%	0.714	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.4	169	-75.3	-172.1	-66.8	0	0	110.2	L1116 V1118	L1116-M1123 HydrophobicContact CD2-CB 4.29Å; L1116-M1123 HydrophobicContact CD2-SD 4.09Å; V1118-M1123 HydrophobicContact CG2-CG 3.8Å
1124	V	68.8	Low	69.9	Low	51 Å²	51	92.4 Å²	92.4	31%	0.309	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.6	179.7	-177.9	0	0	0	0	109.1	L1116 I1117 V1126	L1116-V1124 WeakPolarHBondContact CA-O 2.87Å; I1117-V1124 PolarHBondContact N-O 3.34Å; I1117-V1124 PolarHBondContact O-N 3.18Å; V1124-V1126 PolarHBondContact O-N 3.41Å
1125	D	76.3	Confident	71.8	Confident	57 Å²	57	95.2 Å²	95.2	31%	0.305	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	102.5	170.6	-174.4	-17.5	0	0	0	110	N1115 L1116 G1127 S1128 M1129	N1115-D1125 WeakPolarHBondContact O-CA 3.49Å; L1116-D1125 HydrophobicContact CD1-CB 3.74Å; L1116-D1125 HydrophobicContact CG-CB 4.25Å; D1125-G1127 VanDerWaalsContact C-N 3.32Å; D1125-G1127 WeakPolarHBondContact OD1-CA 3.5Å; D1125-G1127 PolarHBondContact OD1-N 2.76Å; D1125-S1128 VanDerWaalsContact CG-CB 3.41Å; D1125-S1128 PolarHBondContact OD1-N 3.45Å; D1125-S1128 WeakPolarHBondContact OD2-CB 3.12Å; D1125-M1129 WeakPolarHBondContact O-CB 3.33Å; D1125-M1129 PolarHBondContact O-N 3.35Å
1126	V	76.4	Confident	73.1	Confident	49 Å²	49	94.2 Å²	94.2	30%	0.297	51%	0.51	S	S	.	.	H	α-helix	trans	-71.4	-30.6	-178.7	-177.2	0	0	0	0	111.1	N1115 I1117 V1124 M1129 M1130	N1115-V1126 PolarHBondContact O-N 2.78Å; I1117-V1126 HydrophobicContact CB-CG2 4.32Å; I1117-V1126 HydrophobicContact CD1-CG2 4Å; I1117-V1126 HydrophobicContact CG1-CG2 4.17Å; V1124-V1126 PolarHBondContact O-N 3.41Å; V1126-M1129 PolarHBondContact O-N 2.78Å; V1126-M1130 HydrophobicContact CG1-CG 4.35Å; V1126-M1130 WeakPolarHBondContact O-CB 3.32Å; V1126-M1130 VanDerWaalsContact O-CG 3.31Å; V1126-M1130 WeakPolarHBondContact O-CG 2.96Å; V1126-M1130 PolarHBondContact O-N 2.77Å
1127	G	77.3	Confident	74.5	Confident	28 Å²	28	94.6 Å²	94.6	29%	0.289	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-46.4	175.5	0	0	0	0	0	111.6	D1125 M1129 M1130 Q1131	D1125-G1127 VanDerWaalsContact C-N 3.32Å; D1125-G1127 WeakPolarHBondContact OD1-CA 3.5Å; D1125-G1127 PolarHBondContact OD1-N 2.76Å; G1127-M1129 VanDerWaalsContact C-N 3.3Å; G1127-M1129 PolarHBondContact O-N 3.33Å; G1127-M1130 PolarHBondContact O-N 3.21Å; G1127-Q1131 WeakPolarHBondContact O-CB 3.16Å; G1127-Q1131 PolarHBondContact O-N 3.31Å
1128	S	76.3	Confident	75.8	Confident	38 Å²	38	96 Å²	96	27%	0.266	51%	0.512	S	S	.	.	H	α-helix	trans	-61	-39.5	173.4	-166.4	0	0	0	0	111.8	D1125 K1132	D1125-S1128 VanDerWaalsContact CG-CB 3.41Å; D1125-S1128 PolarHBondContact OD1-N 3.45Å; D1125-S1128 WeakPolarHBondContact OD2-CB 3.12Å; S1128-K1132 WeakPolarHBondContact O-CB 3.47Å; S1128-K1132 WeakPolarHBondContact O-CD 3.36Å; S1128-K1132 WeakPolarHBondContact O-CG 3.24Å; S1128-K1132 PolarHBondContact O-N 2.76Å; S1128-K1132 WeakPolarHBondContact OG-CE 3.18Å; S1128-K1132 PolarHBondContact OG-NZ 2.85Å
1129	M	76.7	Confident	77	Confident	108 Å²	108	93.5 Å²	93.5	53%	0.532	50%	0.502	S	S	.	.	H	α-helix	trans	-67.9	-45.1	178.5	-169.8	170.2	68.5	0	0	112.5	D1125 V1126 G1127 K1132 L1133	D1125-M1129 WeakPolarHBondContact O-CB 3.33Å; D1125-M1129 PolarHBondContact O-N 3.35Å; V1126-M1129 PolarHBondContact O-N 2.78Å; G1127-M1129 VanDerWaalsContact C-N 3.3Å; G1127-M1129 PolarHBondContact O-N 3.33Å; M1129-K1132 PolarHBondContact O-N 2.93Å; M1129-L1133 PolarHBondContact O-N 2.78Å
1130	M	80.7	Confident	78.2	Confident	116 Å²	116	92.9 Å²	92.9	57%	0.571	50%	0.498	S	S	*	.	H	α-helix	trans	-62	-45.7	175.6	-74.3	-64.6	-64.5	0	0	111.8	V1126 G1127 K1132 L1133 E1134	V1126-M1130 HydrophobicContact CG1-CG 4.35Å; V1126-M1130 WeakPolarHBondContact O-CB 3.32Å; V1126-M1130 VanDerWaalsContact O-CG 3.31Å; V1126-M1130 WeakPolarHBondContact O-CG 2.96Å; V1126-M1130 PolarHBondContact O-N 2.77Å; G1127-M1130 PolarHBondContact O-N 3.21Å; M1130-K1132 VanDerWaalsContact C-N 3.29Å; M1130-K1132 PolarHBondContact O-N 2.77Å; M1130-L1133 WeakPolarHBondContact O-CB 3.22Å; M1130-L1133 PolarHBondContact O-N 3.46Å; M1130-L1133 VanDerWaalsContact O-N 3.13Å; M1130-E1134 PolarHBondContact O-N 3.08Å
1131	Q	82.9	Confident	79.6	Confident	103 Å²	103	91.4 Å²	91.4	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-67.5	-29.9	178.7	-159.1	-163.7	71.3	0	0	112.3	G1127 K1135	G1127-Q1131 WeakPolarHBondContact O-CB 3.16Å; G1127-Q1131 PolarHBondContact O-N 3.31Å; Q1131-K1135 HydrophobicContact CG-CD 4.36Å; Q1131-K1135 VanDerWaalsContact O-CB 3.3Å; Q1131-K1135 WeakPolarHBondContact O-CB 3.15Å; Q1131-K1135 WeakPolarHBondContact O-CD 3.42Å; Q1131-K1135 WeakPolarHBondContact O-CG 3.44Å; Q1131-K1135 PolarHBondContact O-N 3.46Å; Q1131-K1135 VanDerWaalsContact O-N 3.09Å
1132	K	82.6	Confident	80.9	Confident	132 Å²	132	92 Å²	92	57%	0.574	47%	0.47	S	S	*	.	H	α-helix	trans	-69.1	-38.5	170.8	-78	163.7	-178.9	150.7	0	111.9	S1128 M1129 M1130 S1136	S1128-K1132 WeakPolarHBondContact O-CB 3.47Å; S1128-K1132 WeakPolarHBondContact O-CD 3.36Å; S1128-K1132 WeakPolarHBondContact O-CG 3.24Å; S1128-K1132 PolarHBondContact O-N 2.76Å; S1128-K1132 WeakPolarHBondContact OG-CE 3.18Å; S1128-K1132 PolarHBondContact OG-NZ 2.85Å; M1129-K1132 PolarHBondContact O-N 2.93Å; M1130-K1132 VanDerWaalsContact C-N 3.29Å; M1130-K1132 PolarHBondContact O-N 2.77Å; K1132-S1136 VanDerWaalsContact O-CB 3.25Å; K1132-S1136 WeakPolarHBondContact O-CB 3.1Å; K1132-S1136 PolarHBondContact O-N 3.11Å
1133	L	83.8	Confident	82.1	Confident	88 Å²	88	94.7 Å²	94.7	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-64	-51.8	175.3	-178.7	61.9	0	0	0	110.9	M1129 M1130 K1135 S1136 E1137	M1129-L1133 PolarHBondContact O-N 2.78Å; M1130-L1133 WeakPolarHBondContact O-CB 3.22Å; M1130-L1133 PolarHBondContact O-N 3.46Å; M1130-L1133 VanDerWaalsContact O-N 3.13Å; L1133-K1135 PolarHBondContact O-N 2.81Å; L1133-S1136 CarbonylContact O-C 3.56Å; L1133-S1136 WeakPolarHBondContact O-CA 3.39Å; L1133-S1136 WeakPolarHBondContact O-CB 3.43Å; L1133-S1136 PolarHBondContact O-N 2.77Å; L1133-E1137 HydrophobicContact CD1-CG 4.26Å; L1133-E1137 HydrophobicContact CG-CG 4.49Å; L1133-E1137 PolarHBondContact O-N 3.37Å
1134	E	88.6	Confident	83.2	Confident	134 Å²	134	92 Å²	92	63%	0.626	46%	0.461	S	S	*	.	H	α-helix	trans	-57.6	-44.5	177.7	-176.6	-176.8	-156.9	0	0	112.1	M1130 S1136 E1137 K1138	M1130-E1134 PolarHBondContact O-N 3.08Å; E1134-S1136 VanDerWaalsContact C-N 3.28Å; E1134-S1136 PolarHBondContact O-N 3.28Å; E1134-E1137 PolarHBondContact O-N 3.09Å; E1134-K1138 WeakPolarHBondContact O-CB 3.31Å; E1134-K1138 PolarHBondContact O-N 2.8Å
1135	K	88.2	Confident	84.3	Confident	126 Å²	126	95.7 Å²	95.7	55%	0.548	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-33.3	172.9	-75.2	169.9	175.9	172.8	0	112.6	Q1131 L1133 A1139	Q1131-K1135 HydrophobicContact CG-CD 4.36Å; Q1131-K1135 VanDerWaalsContact O-CB 3.3Å; Q1131-K1135 WeakPolarHBondContact O-CB 3.15Å; Q1131-K1135 WeakPolarHBondContact O-CD 3.42Å; Q1131-K1135 WeakPolarHBondContact O-CG 3.44Å; Q1131-K1135 PolarHBondContact O-N 3.46Å; Q1131-K1135 VanDerWaalsContact O-N 3.09Å; L1133-K1135 PolarHBondContact O-N 2.81Å; K1135-A1139 VanDerWaalsContact O-CB 3.23Å; K1135-A1139 WeakPolarHBondContact O-CB 3.15Å; K1135-A1139 PolarHBondContact O-N 3.5Å; K1135-A1139 VanDerWaalsContact O-N 3.1Å
1136	S	80.8	Confident	85	Confident	74 Å²	74	98.8 Å²	98.8	52%	0.517	49%	0.486	S	S	.	.	H	α-helix	trans	-75.9	-36.3	177.1	-171.9	0	0	0	0	112.6	K1132 L1133 E1134 R1140	K1132-S1136 VanDerWaalsContact O-CB 3.25Å; K1132-S1136 WeakPolarHBondContact O-CB 3.1Å; K1132-S1136 PolarHBondContact O-N 3.11Å; L1133-S1136 CarbonylContact O-C 3.56Å; L1133-S1136 WeakPolarHBondContact O-CA 3.39Å; L1133-S1136 WeakPolarHBondContact O-CB 3.43Å; L1133-S1136 PolarHBondContact O-N 2.77Å; E1134-S1136 VanDerWaalsContact C-N 3.28Å; E1134-S1136 PolarHBondContact O-N 3.28Å; S1136-R1140 PolarHBondContact O-N 3.4Å
1137	E	88.3	Confident	85.7	Confident	106 Å²	106	101 Å²	101	50%	0.495	50%	0.495	S	S	.	.	H	α-helix	trans	-69.3	-47.5	176.5	-71.9	-177.6	137.3	0	0	110.5	L1133 E1134 A1139 R1140 E1141	L1133-E1137 HydrophobicContact CD1-CG 4.26Å; L1133-E1137 HydrophobicContact CG-CG 4.49Å; L1133-E1137 PolarHBondContact O-N 3.37Å; E1134-E1137 PolarHBondContact O-N 3.09Å; E1137-A1139 VanDerWaalsContact C-N 3.31Å; E1137-A1139 PolarHBondContact O-N 2.82Å; E1137-R1140 CarbonylContact O-C 3.53Å; E1137-R1140 WeakPolarHBondContact O-CA 3.47Å; E1137-R1140 VanDerWaalsContact O-CB 3.24Å; E1137-R1140 WeakPolarHBondContact O-CB 3.38Å; E1137-R1140 PolarHBondContact O-N 3.39Å; E1137-E1141 PolarHBondContact O-N 3.27Å
1138	K	90.8	Very high	86.3	Confident	129 Å²	129	105 Å²	105	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-59.4	-40.8	172.7	-175.5	173.6	179.8	176.1	0	112.4	E1134 R1140 E1141 E1142	E1134-K1138 WeakPolarHBondContact O-CB 3.31Å; E1134-K1138 PolarHBondContact O-N 2.8Å; K1138-R1140 VanDerWaalsContact C-N 3.25Å; K1138-R1140 PolarHBondContact O-N 2.81Å; K1138-E1141 PolarHBondContact O-N 2.92Å; K1138-E1142 PolarHBondContact O-N 2.92Å
1139	A	87.9	Confident	87	Confident	44 Å²	44	107.9 Å²	107.9	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-30.2	173.7	0	0	0	0	0	112.5	K1135 E1137 I1143	K1135-A1139 VanDerWaalsContact O-CB 3.23Å; K1135-A1139 WeakPolarHBondContact O-CB 3.15Å; K1135-A1139 PolarHBondContact O-N 3.5Å; K1135-A1139 VanDerWaalsContact O-N 3.1Å; E1137-A1139 VanDerWaalsContact C-N 3.31Å; E1137-A1139 PolarHBondContact O-N 2.82Å; A1139-I1143 WeakPolarHBondContact O-CD1 3.27Å; A1139-I1143 VanDerWaalsContact O-CG1 3.23Å; A1139-I1143 WeakPolarHBondContact O-CG1 3.18Å; A1139-I1143 PolarHBondContact O-N 3.48Å
1140	R	86.7	Confident	87.5	Confident	149 Å²	149	108.5 Å²	108.5	56%	0.562	53%	0.526	S	S	*	.	H	α-helix	trans	-69.2	-47.6	172.6	-155.3	-161.4	88.5	-156.7	5.3	111.1	S1136 E1137 K1138 E1142 I1143 E1144	S1136-R1140 PolarHBondContact O-N 3.4Å; E1137-R1140 CarbonylContact O-C 3.53Å; E1137-R1140 WeakPolarHBondContact O-CA 3.47Å; E1137-R1140 VanDerWaalsContact O-CB 3.24Å; E1137-R1140 WeakPolarHBondContact O-CB 3.38Å; E1137-R1140 PolarHBondContact O-N 3.39Å; K1138-R1140 VanDerWaalsContact C-N 3.25Å; K1138-R1140 PolarHBondContact O-N 2.81Å; R1140-E1142 VanDerWaalsContact C-N 3.32Å; R1140-E1142 PolarHBondContact O-N 2.8Å; R1140-I1143 CarbonylContact O-C 3.55Å; R1140-I1143 PolarHBondContact O-N 2.77Å; R1140-E1144 IonicContact CZ-OE2 2.75Å; R1140-E1144 IonicContact NE-OE2 3.3Å; R1140-E1144 PolarHBondContact NE-OE2 2.96Å; R1140-E1144 VanDerWaalsContact NE-OE2 3.09Å; R1140-E1144 IonicContact NH2-OE1 2.72Å; R1140-E1144 IonicContact NH2-OE2 3.33Å; R1140-E1144 PolarHBondContact NH2-OE2 2.87Å; R1140-E1144 WeakPolarHBondContact O-CB 3.16Å; R1140-E1144 PolarHBondContact O-N 3.28Å
1141	E	88.7	Confident	87.7	Confident	113 Å²	113	106.7 Å²	106.7	53%	0.528	52%	0.519	S	S	.	.	H	α-helix	trans	-58	-42.8	176.4	-67.8	-179.8	160.2	0	0	111.8	E1137 K1138 I1143 E1144 Q1145	E1137-E1141 PolarHBondContact O-N 3.27Å; K1138-E1141 PolarHBondContact O-N 2.92Å; E1141-I1143 VanDerWaalsContact C-N 3.31Å; E1141-I1143 PolarHBondContact O-N 3.32Å; E1141-E1144 PolarHBondContact O-N 2.85Å; E1141-Q1145 WeakPolarHBondContact O-CG 3.37Å; E1141-Q1145 PolarHBondContact O-N 3.02Å
1142	E	89.8	Confident	88.2	Confident	85 Å²	85	104.7 Å²	104.7	40%	0.397	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-33.4	174.9	-78.4	-172.3	-146.7	0	0	113.3	K1138 R1140 K1146	K1138-E1142 PolarHBondContact O-N 2.92Å; R1140-E1142 VanDerWaalsContact C-N 3.32Å; R1140-E1142 PolarHBondContact O-N 2.8Å; E1142-K1146 WeakPolarHBondContact O-CB 3.31Å; E1142-K1146 WeakPolarHBondContact O-CD 3.46Å; E1142-K1146 WeakPolarHBondContact O-CG 3.39Å; E1142-K1146 PolarHBondContact O-N 3.4Å; E1142-K1146 IonicContact OE2-NZ 3.09Å; E1142-K1146 PolarHBondContact OE2-NZ 3.46Å
1143	I	85.4	Confident	88.7	Confident	114 Å²	114	104.1 Å²	104.1	59%	0.585	52%	0.518	S	S	*	.	H	α-helix	trans	-74.1	-39.8	174.4	-71.6	166.1	0	0	0	110.4	A1139 R1140 E1141 K1146 L1147	A1139-I1143 WeakPolarHBondContact O-CD1 3.27Å; A1139-I1143 VanDerWaalsContact O-CG1 3.23Å; A1139-I1143 WeakPolarHBondContact O-CG1 3.18Å; A1139-I1143 PolarHBondContact O-N 3.48Å; R1140-I1143 CarbonylContact O-C 3.55Å; R1140-I1143 PolarHBondContact O-N 2.77Å; E1141-I1143 VanDerWaalsContact C-N 3.31Å; E1141-I1143 PolarHBondContact O-N 3.32Å; I1143-K1146 PolarHBondContact O-N 3.09Å; I1143-L1147 WeakPolarHBondContact O-CB 3.38Å; I1143-L1147 PolarHBondContact O-N 3.01Å
1144	E	89.9	Confident	88.9	Confident	88 Å²	88	104.7 Å²	104.7	41%	0.411	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-43.6	179.2	-156.3	165.6	149.3	0	0	110.8	R1140 E1141 L1147 I1148	R1140-E1144 IonicContact CZ-OE2 2.75Å; R1140-E1144 IonicContact NE-OE2 3.3Å; R1140-E1144 PolarHBondContact NE-OE2 2.96Å; R1140-E1144 VanDerWaalsContact NE-OE2 3.09Å; R1140-E1144 IonicContact NH2-OE1 2.72Å; R1140-E1144 IonicContact NH2-OE2 3.33Å; R1140-E1144 PolarHBondContact NH2-OE2 2.87Å; R1140-E1144 WeakPolarHBondContact O-CB 3.16Å; R1140-E1144 PolarHBondContact O-N 3.28Å; E1141-E1144 PolarHBondContact O-N 2.85Å; E1144-L1147 PolarHBondContact O-N 3.37Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.19Å; E1144-I1148 PolarHBondContact O-N 3.24Å
1145	Q	91.9	Very high	89.2	Confident	128 Å²	128	103.8 Å²	103.8	60%	0.598	52%	0.515	S	S	*	.	H	α-helix	trans	-65.2	-39.3	172.2	-70.1	178.5	17.3	0	0	113.1	E1141 T1149	E1141-Q1145 WeakPolarHBondContact O-CG 3.37Å; E1141-Q1145 PolarHBondContact O-N 3.02Å; Q1145-T1149 WeakPolarHBondContact O-CB 3.17Å; Q1145-T1149 PolarHBondContact O-N 3.35Å; Q1145-T1149 PolarHBondContact O-OG1 2.9Å
1146	K	92	Very high	89.3	Confident	123 Å²	123	104 Å²	104	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-65.9	-38.6	175.6	-75.6	163.7	-167.5	148.6	0	111.5	E1142 I1143 T1149 Q1150	E1142-K1146 WeakPolarHBondContact O-CB 3.31Å; E1142-K1146 WeakPolarHBondContact O-CD 3.46Å; E1142-K1146 WeakPolarHBondContact O-CG 3.39Å; E1142-K1146 PolarHBondContact O-N 3.4Å; E1142-K1146 IonicContact OE2-NZ 3.09Å; E1142-K1146 PolarHBondContact OE2-NZ 3.46Å; I1143-K1146 PolarHBondContact O-N 3.09Å; K1146-T1149 PolarHBondContact O-N 2.83Å; K1146-Q1150 WeakPolarHBondContact O-CB 3.2Å; K1146-Q1150 PolarHBondContact O-N 3.16Å
1147	L	89.9	Confident	89.5	Confident	95 Å²	95	104.4 Å²	104.4	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-50.3	175.1	-177.5	63	0	0	0	111.2	I1143 E1144 T1149 Q1150 D1151	I1143-L1147 WeakPolarHBondContact O-CB 3.38Å; I1143-L1147 PolarHBondContact O-N 3.01Å; E1144-L1147 PolarHBondContact O-N 3.37Å; L1147-T1149 VanDerWaalsContact C-N 3.27Å; L1147-T1149 PolarHBondContact O-N 3.45Å; L1147-Q1150 PolarHBondContact O-N 3.31Å; L1147-D1151 PolarHBondContact O-N 3.12Å
1148	I	91.4	Very high	89.7	Confident	112 Å²	112	102.1 Å²	102.1	57%	0.574	51%	0.513	S	S	*	.	H	α-helix	trans	-56.9	-41.4	176.4	-67.1	163.1	0	0	0	111.4	E1144 A1152	E1144-I1148 WeakPolarHBondContact O-CG1 3.19Å; E1144-I1148 PolarHBondContact O-N 3.24Å; I1148-A1152 WeakPolarHBondContact O-CB 3.19Å; I1148-A1152 PolarHBondContact O-N 2.91Å; I1148-A1152 VanDerWaalsContact O-N 3.1Å
1149	T	90.1	Very high	89.8	Confident	98 Å²	98	101.1 Å²	101.1	60%	0.601	51%	0.509	S	S	*	.	H	α-helix	trans	-67.5	-37.6	177.4	-53.1	0	0	0	0	111.8	Q1145 K1146 L1147 K1153	Q1145-T1149 WeakPolarHBondContact O-CB 3.17Å; Q1145-T1149 PolarHBondContact O-N 3.35Å; Q1145-T1149 PolarHBondContact O-OG1 2.9Å; K1146-T1149 PolarHBondContact O-N 2.83Å; L1147-T1149 VanDerWaalsContact C-N 3.27Å; L1147-T1149 PolarHBondContact O-N 3.45Å; T1149-K1153 PolarHBondContact O-N 3.5Å; T1149-K1153 VanDerWaalsContact O-N 3.13Å
1150	Q	86.5	Confident	90	Very high	121 Å²	121	103.5 Å²	103.5	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-71.4	-40.7	178.3	-177.5	171.6	-18	0	0	112	K1146 L1147 K1153 M1154	K1146-Q1150 WeakPolarHBondContact O-CB 3.2Å; K1146-Q1150 PolarHBondContact O-N 3.16Å; L1147-Q1150 PolarHBondContact O-N 3.31Å; Q1150-K1153 PolarHBondContact O-N 3.25Å; Q1150-M1154 WeakPolarHBondContact O-CG 3.35Å; Q1150-M1154 PolarHBondContact O-N 2.85Å
1151	D	86.4	Confident	90.2	Very high	79 Å²	79	103.4 Å²	103.4	42%	0.422	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-43.4	176.2	-73.1	-28.4	0	0	0	111.4	L1147 K1153 M1154 E1155	L1147-D1151 PolarHBondContact O-N 3.12Å; D1151-K1153 VanDerWaalsContact C-N 3.29Å; D1151-K1153 PolarHBondContact O-N 3.28Å; D1151-M1154 PolarHBondContact O-N 2.91Å; D1151-M1154 VanDerWaalsContact O-N 3.13Å; D1151-M1154 VanDerWaalsContact OD1-CE 3.26Å; D1151-M1154 WeakPolarHBondContact OD1-CE 3.24Å; D1151-E1155 PolarHBondContact O-N 3.01Å
1152	A	92.7	Very high	90.3	Very high	60 Å²	60	100.4 Å²	100.4	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-58.5	-41.5	173.4	0	0	0	0	0	111.9	I1148 E1155 E1156	I1148-A1152 WeakPolarHBondContact O-CB 3.19Å; I1148-A1152 PolarHBondContact O-N 2.91Å; I1148-A1152 VanDerWaalsContact O-N 3.1Å; A1152-E1155 PolarHBondContact O-N 3.33Å; A1152-E1156 PolarHBondContact O-N 2.66Å
1153	K	92.2	Very high	90.4	Very high	121 Å²	121	102.8 Å²	102.8	53%	0.526	52%	0.524	S	S	.	.	H	α-helix	trans	-66.1	-40.8	173.8	-176.4	176.8	175.6	-177.6	0	112.3	T1149 Q1150 D1151 E1155 E1156 D1157	T1149-K1153 PolarHBondContact O-N 3.5Å; T1149-K1153 VanDerWaalsContact O-N 3.13Å; Q1150-K1153 PolarHBondContact O-N 3.25Å; D1151-K1153 VanDerWaalsContact C-N 3.29Å; D1151-K1153 PolarHBondContact O-N 3.28Å; K1153-E1155 PolarHBondContact O-N 3.42Å; K1153-E1156 PolarHBondContact O-N 2.99Å; K1153-E1156 VanDerWaalsContact O-N 3.08Å; K1153-D1157 VanDerWaalsContact CE-OD2 3.3Å; K1153-D1157 WeakPolarHBondContact CE-OD2 3.17Å; K1153-D1157 PolarHBondContact O-N 3.12Å
1154	M	89.5	Confident	90.6	Very high	99 Å²	99	102 Å²	102	49%	0.488	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-31.9	176.2	-72.7	-159.6	-59.4	0	0	112.2	Q1150 D1151 A1158	Q1150-M1154 WeakPolarHBondContact O-CG 3.35Å; Q1150-M1154 PolarHBondContact O-N 2.85Å; D1151-M1154 PolarHBondContact O-N 2.91Å; D1151-M1154 VanDerWaalsContact O-N 3.13Å; D1151-M1154 VanDerWaalsContact OD1-CE 3.26Å; D1151-M1154 WeakPolarHBondContact OD1-CE 3.24Å; M1154-A1158 WeakPolarHBondContact O-CB 3.5Å; M1154-A1158 PolarHBondContact O-N 2.87Å
1155	E	92.9	Very high	90.7	Very high	115 Å²	115	102.6 Å²	102.6	54%	0.537	52%	0.524	S	S	.	.	H	α-helix	trans	-68.5	-35.4	173	-152.4	-159.4	134.5	0	0	112.3	D1151 A1152 K1153 K1159	D1151-E1155 PolarHBondContact O-N 3.01Å; A1152-E1155 PolarHBondContact O-N 3.33Å; K1153-E1155 PolarHBondContact O-N 3.42Å; E1155-K1159 VanDerWaalsContact CD-NZ 3.31Å; E1155-K1159 WeakPolarHBondContact O-CD 3.49Å; E1155-K1159 VanDerWaalsContact O-CG 3.26Å; E1155-K1159 WeakPolarHBondContact O-CG 3.44Å; E1155-K1159 PolarHBondContact O-N 2.72Å; E1155-K1159 WeakPolarHBondContact OE1-CE 3.41Å; E1155-K1159 IonicContact OE1-NZ 3.9Å; E1155-K1159 PolarHBondContact OE1-NZ 2.66Å
1156	E	91.5	Very high	90.8	Very high	132 Å²	132	102.1 Å²	102.1	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-70.5	-48.6	173.7	-172.5	170.8	-152.3	0	0	112.1	A1152 K1153 A1158 K1159 L1160	A1152-E1156 PolarHBondContact O-N 2.66Å; K1153-E1156 PolarHBondContact O-N 2.99Å; K1153-E1156 VanDerWaalsContact O-N 3.08Å; E1156-A1158 PolarHBondContact O-N 3.46Å; E1156-K1159 WeakPolarHBondContact O-CB 3.36Å; E1156-K1159 PolarHBondContact O-N 2.85Å; E1156-K1159 VanDerWaalsContact O-N 3.08Å; E1156-L1160 PolarHBondContact O-N 3.29Å
1157	D	85.7	Confident	90.7	Very high	82 Å²	82	98.4 Å²	98.4	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-58.9	-35.7	175.1	-74.8	-28.8	0	0	0	111.1	K1153 K1161	K1153-D1157 VanDerWaalsContact CE-OD2 3.3Å; K1153-D1157 WeakPolarHBondContact CE-OD2 3.17Å; K1153-D1157 PolarHBondContact O-N 3.12Å; D1157-K1161 VanDerWaalsContact O-CB 3.28Å; D1157-K1161 WeakPolarHBondContact O-CB 3.49Å; D1157-K1161 PolarHBondContact O-N 2.84Å
1158	A	92.1	Very high	90.6	Very high	57 Å²	57	98.6 Å²	98.6	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-67.2	-40.4	174.1	0	0	0	0	0	113	M1154 E1156 K1161 A1162	M1154-A1158 WeakPolarHBondContact O-CB 3.5Å; M1154-A1158 PolarHBondContact O-N 2.87Å; E1156-A1158 PolarHBondContact O-N 3.46Å; A1158-K1161 PolarHBondContact O-N 3.27Å; A1158-A1162 PolarHBondContact O-N 3.32Å
1159	K	93.3	Very high	90.7	Very high	109 Å²	109	98.8 Å²	98.8	47%	0.474	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-43.7	174.4	-70.2	158.8	-169.3	163.2	0	111.1	E1155 E1156 A1162 Q1163	E1155-K1159 VanDerWaalsContact CD-NZ 3.31Å; E1155-K1159 WeakPolarHBondContact O-CD 3.49Å; E1155-K1159 VanDerWaalsContact O-CG 3.26Å; E1155-K1159 WeakPolarHBondContact O-CG 3.44Å; E1155-K1159 PolarHBondContact O-N 2.72Å; E1155-K1159 WeakPolarHBondContact OE1-CE 3.41Å; E1155-K1159 IonicContact OE1-NZ 3.9Å; E1155-K1159 PolarHBondContact OE1-NZ 2.66Å; E1156-K1159 WeakPolarHBondContact O-CB 3.36Å; E1156-K1159 PolarHBondContact O-N 2.85Å; E1156-K1159 VanDerWaalsContact O-N 3.08Å; K1159-A1162 PolarHBondContact O-N 3.17Å; K1159-Q1163 WeakPolarHBondContact O-CG 3.49Å; K1159-Q1163 PolarHBondContact O-N 3.32Å
1160	L	92.3	Very high	90.8	Very high	94 Å²	94	97.1 Å²	97.1	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-41.9	177.2	-169.8	151.2	0	0	0	111.2	E1156 A1162 Q1163 L1164	E1156-L1160 PolarHBondContact O-N 3.29Å; L1160-A1162 VanDerWaalsContact C-N 3.35Å; L1160-A1162 PolarHBondContact O-N 2.88Å; L1160-Q1163 PolarHBondContact O-N 3.42Å; L1160-L1164 HydrophobicContact CD2-CD1 3.64Å; L1160-L1164 HydrophobicContact CD2-CG 4.12Å; L1160-L1164 WeakPolarHBondContact O-CG 3.31Å; L1160-L1164 PolarHBondContact O-N 3.25Å
1161	K	89.4	Confident	91	Very high	146 Å²	146	96.1 Å²	96.1	64%	0.635	51%	0.505	S	S	*	.	H	α-helix	trans	-59.2	-42.5	173	-176.4	179.7	177.9	-177.3	0	112.4	D1157 A1158 L1164 E1165	D1157-K1161 VanDerWaalsContact O-CB 3.28Å; D1157-K1161 WeakPolarHBondContact O-CB 3.49Å; D1157-K1161 PolarHBondContact O-N 2.84Å; A1158-K1161 PolarHBondContact O-N 3.27Å; K1161-L1164 PolarHBondContact O-N 2.98Å; K1161-E1165 PolarHBondContact O-N 3.32Å
1162	A	91.5	Very high	91.2	Very high	50 Å²	50	95.9 Å²	95.9	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-64.5	-38.4	176.6	0	0	0	0	0	112.4	A1158 K1159 L1160 E1165 L1166	A1158-A1162 PolarHBondContact O-N 3.32Å; K1159-A1162 PolarHBondContact O-N 3.17Å; L1160-A1162 VanDerWaalsContact C-N 3.35Å; L1160-A1162 PolarHBondContact O-N 2.88Å; A1162-E1165 PolarHBondContact O-N 2.96Å; A1162-L1166 WeakPolarHBondContact O-CG 3.49Å; A1162-L1166 PolarHBondContact O-N 2.89Å; A1162-L1166 VanDerWaalsContact O-N 3.1Å
1163	Q	91.8	Very high	91.3	Very high	135 Å²	135	98.7 Å²	98.7	63%	0.631	51%	0.511	S	S	*	.	H	α-helix	trans	-64	-43.9	173.2	-68.8	175.9	14.7	0	0	112	K1159 L1160 E1165 L1166 A1167	K1159-Q1163 WeakPolarHBondContact O-CG 3.49Å; K1159-Q1163 PolarHBondContact O-N 3.32Å; L1160-Q1163 PolarHBondContact O-N 3.42Å; Q1163-E1165 VanDerWaalsContact C-N 3.33Å; Q1163-E1165 PolarHBondContact O-N 3.19Å; Q1163-L1166 PolarHBondContact O-N 3.19Å; Q1163-A1167 PolarHBondContact O-N 2.83Å
1164	L	89.4	Confident	91.4	Very high	98 Å²	98	97.3 Å²	97.3	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-35.7	175.2	-70.5	177.6	0	0	0	112.7	L1160 K1161 A1167 N1168	L1160-L1164 HydrophobicContact CD2-CD1 3.64Å; L1160-L1164 HydrophobicContact CD2-CG 4.12Å; L1160-L1164 WeakPolarHBondContact O-CG 3.31Å; L1160-L1164 PolarHBondContact O-N 3.25Å; K1161-L1164 PolarHBondContact O-N 2.98Å; L1164-A1167 PolarHBondContact O-N 3.08Å; L1164-N1168 WeakPolarHBondContact O-CB 3.49Å; L1164-N1168 PolarHBondContact O-N 2.99Å; L1164-N1168 PolarHBondContact O-ND2 3.48Å
1165	E	92.4	Very high	91.4	Very high	101 Å²	101	98.2 Å²	98.2	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-37.3	175.6	-161.5	-171.8	130.3	0	0	111.9	K1161 A1162 Q1163 K1169	K1161-E1165 PolarHBondContact O-N 3.32Å; A1162-E1165 PolarHBondContact O-N 2.96Å; Q1163-E1165 VanDerWaalsContact C-N 3.33Å; Q1163-E1165 PolarHBondContact O-N 3.19Å; E1165-K1169 WeakPolarHBondContact O-CD 3.26Å; E1165-K1169 VanDerWaalsContact O-CG 3.3Å; E1165-K1169 WeakPolarHBondContact O-CG 3.47Å; E1165-K1169 PolarHBondContact O-N 3.1Å; E1165-K1169 WeakPolarHBondContact OE1-CE 3.37Å; E1165-K1169 IonicContact OE1-NZ 2.71Å; E1165-K1169 PolarHBondContact OE1-NZ 3.47Å
1166	L	92.9	Very high	91.5	Very high	118 Å²	118	99.2 Å²	99.2	62%	0.618	52%	0.517	S	S	*	.	H	α-helix	trans	-68.3	-43	173	-69.6	169.5	0	0	0	112	A1162 Q1163 K1169 S1170	A1162-L1166 WeakPolarHBondContact O-CG 3.49Å; A1162-L1166 PolarHBondContact O-N 2.89Å; A1162-L1166 VanDerWaalsContact O-N 3.1Å; Q1163-L1166 PolarHBondContact O-N 3.19Å; L1166-K1169 PolarHBondContact O-N 3.35Å; L1166-S1170 PolarHBondContact O-N 3.27Å; L1166-S1170 VanDerWaalsContact O-N 3.12Å
1167	A	90.8	Very high	91.6	Very high	44 Å²	44	97.9 Å²	97.9	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-60.8	-46.2	175.9	0	0	0	0	0	111.8	Q1163 L1164 K1169 S1170 L1171	Q1163-A1167 PolarHBondContact O-N 2.83Å; L1164-A1167 PolarHBondContact O-N 3.08Å; A1167-K1169 VanDerWaalsContact C-N 3.28Å; A1167-K1169 PolarHBondContact O-N 3.23Å; A1167-S1170 WeakPolarHBondContact O-CB 3.42Å; A1167-S1170 PolarHBondContact O-N 3Å; A1167-S1170 VanDerWaalsContact O-N 3.12Å; A1167-L1171 PolarHBondContact O-N 2.78Å
1168	N	87.1	Confident	91.9	Very high	100 Å²	100	98.7 Å²	98.7	54%	0.535	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-33.6	175.7	-81.3	-29.1	0	0	0	112.9	L1164 S1172	L1164-N1168 WeakPolarHBondContact O-CB 3.49Å; L1164-N1168 PolarHBondContact O-N 2.99Å; L1164-N1168 PolarHBondContact O-ND2 3.48Å; N1168-S1172 VanDerWaalsContact O-CB 3.31Å; N1168-S1172 WeakPolarHBondContact O-CB 3.48Å; N1168-S1172 PolarHBondContact O-N 2.79Å; N1168-S1172 PolarHBondContact O-OG 2.86Å
1169	K	93.6	Very high	92	Very high	116 Å²	116	100 Å²	100	50%	0.504	52%	0.52	S	S	.	.	H	α-helix	trans	-69.1	-35.7	173.9	-73.4	166.4	-172.9	168.8	0	112.8	E1165 L1166 A1167 K1173	E1165-K1169 WeakPolarHBondContact O-CD 3.26Å; E1165-K1169 VanDerWaalsContact O-CG 3.3Å; E1165-K1169 WeakPolarHBondContact O-CG 3.47Å; E1165-K1169 PolarHBondContact O-N 3.1Å; E1165-K1169 WeakPolarHBondContact OE1-CE 3.37Å; E1165-K1169 IonicContact OE1-NZ 2.71Å; E1165-K1169 PolarHBondContact OE1-NZ 3.47Å; L1166-K1169 PolarHBondContact O-N 3.35Å; A1167-K1169 VanDerWaalsContact C-N 3.28Å; A1167-K1169 PolarHBondContact O-N 3.23Å; K1169-K1173 PolarHBondContact O-N 2.86Å
1170	S	92.4	Very high	92.1	Very high	63 Å²	63	97 Å²	97	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-53.8	171	-161.9	0	0	0	0	110.7	L1166 A1167 S1172 K1173 E1174	L1166-S1170 PolarHBondContact O-N 3.27Å; L1166-S1170 VanDerWaalsContact O-N 3.12Å; A1167-S1170 WeakPolarHBondContact O-CB 3.42Å; A1167-S1170 PolarHBondContact O-N 3Å; A1167-S1170 VanDerWaalsContact O-N 3.12Å; S1170-S1172 VanDerWaalsContact C-N 3.28Å; S1170-S1172 PolarHBondContact O-N 2.86Å; S1170-K1173 WeakPolarHBondContact O-CA 3.43Å; S1170-K1173 WeakPolarHBondContact O-CB 3.12Å; S1170-K1173 PolarHBondContact O-N 2.97Å; S1170-E1174 WeakPolarHBondContact CB-OE1 3.3Å; S1170-E1174 PolarHBondContact O-N 3.14Å; S1170-E1174 PolarHBondContact OG-OE1 3.45Å
1171	L	91.2	Very high	92.1	Very high	100 Å²	100	94.8 Å²	94.8	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-58.6	-36.3	-179.2	-72.5	163.7	0	0	0	113	A1167 L1175	A1167-L1171 PolarHBondContact O-N 2.78Å; L1171-L1175 WeakPolarHBondContact O-CB 3.4Å; L1171-L1175 PolarHBondContact O-N 3.2Å
1172	S	91.3	Very high	92.3	Very high	74 Å²	74	92.4 Å²	92.4	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-38.2	175.2	-60.1	0	0	0	0	112.4	N1168 S1170 L1175 E1176	N1168-S1172 VanDerWaalsContact O-CB 3.31Å; N1168-S1172 WeakPolarHBondContact O-CB 3.48Å; N1168-S1172 PolarHBondContact O-N 2.79Å; N1168-S1172 PolarHBondContact O-OG 2.86Å; S1170-S1172 VanDerWaalsContact C-N 3.28Å; S1170-S1172 PolarHBondContact O-N 2.86Å; S1172-L1175 WeakPolarHBondContact O-CB 3.32Å; S1172-L1175 PolarHBondContact O-N 3.22Å; S1172-E1176 PolarHBondContact O-N 3.23Å
1173	K	94.2	Very high	92.3	Very high	118 Å²	118	92.7 Å²	92.7	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-72.9	-39.9	177.3	-179.1	175.3	173.7	-68.7	0	111.6	K1169 S1170 L1175 E1176 E1177	K1169-K1173 PolarHBondContact O-N 2.86Å; S1170-K1173 WeakPolarHBondContact O-CA 3.43Å; S1170-K1173 WeakPolarHBondContact O-CB 3.12Å; S1170-K1173 PolarHBondContact O-N 2.97Å; K1173-L1175 VanDerWaalsContact C-N 3.31Å; K1173-L1175 PolarHBondContact O-N 3.41Å; K1173-E1176 PolarHBondContact O-N 3.13Å; K1173-E1177 WeakPolarHBondContact CE-OE1 3.09Å; K1173-E1177 IonicContact NZ-OE1 3.93Å; K1173-E1177 PolarHBondContact NZ-OE1 3.02Å; K1173-E1177 WeakPolarHBondContact O-CG 3.48Å; K1173-E1177 PolarHBondContact O-N 3.02Å
1174	E	94.2	Very high	92.4	Very high	92 Å²	92	94.2 Å²	94.2	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-40.2	172.1	-69.8	161.8	-125.6	0	0	111.1	S1170 E1177 V1178	S1170-E1174 WeakPolarHBondContact CB-OE1 3.3Å; S1170-E1174 PolarHBondContact O-N 3.14Å; S1170-E1174 PolarHBondContact OG-OE1 3.45Å; E1174-E1177 PolarHBondContact O-N 3.17Å; E1174-V1178 WeakPolarHBondContact O-CB 3.29Å; E1174-V1178 VanDerWaalsContact O-CG2 3.31Å; E1174-V1178 WeakPolarHBondContact O-CG2 3.32Å; E1174-V1178 PolarHBondContact O-N 3.23Å
1175	L	89.9	Confident	92.5	Very high	119 Å²	119	93.6 Å²	93.6	62%	0.623	50%	0.502	S	S	*	.	H	α-helix	trans	-61.8	-45.4	173.8	-166.7	80.3	0	0	0	111.9	L1171 S1172 K1173 E1177 V1178 T1179	L1171-L1175 WeakPolarHBondContact O-CB 3.4Å; L1171-L1175 PolarHBondContact O-N 3.2Å; S1172-L1175 WeakPolarHBondContact O-CB 3.32Å; S1172-L1175 PolarHBondContact O-N 3.22Å; K1173-L1175 VanDerWaalsContact C-N 3.31Å; K1173-L1175 PolarHBondContact O-N 3.41Å; L1175-E1177 PolarHBondContact O-N 2.75Å; L1175-V1178 PolarHBondContact O-N 2.63Å; L1175-T1179 WeakPolarHBondContact O-CB 3.41Å; L1175-T1179 PolarHBondContact O-N 3.2Å; L1175-T1179 PolarHBondContact O-OG1 2.62Å
1176	E	93.6	Very high	92.5	Very high	135 Å²	135	93.7 Å²	93.7	63%	0.631	50%	0.502	S	S	*	.	H	α-helix	trans	-62.8	-40	177.3	-174.2	175.4	-162.2	0	0	112.2	S1172 K1173 S1180	S1172-E1176 PolarHBondContact O-N 3.23Å; K1173-E1176 PolarHBondContact O-N 3.13Å; E1176-S1180 VanDerWaalsContact O-CB 3.29Å; E1176-S1180 WeakPolarHBondContact O-CB 3.41Å; E1176-S1180 PolarHBondContact O-N 2.79Å; E1176-S1180 PolarHBondContact O-OG 3.39Å
1177	E	94.5	Very high	92.6	Very high	105 Å²	105	93.5 Å²	93.5	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-42.5	175.1	-74.6	177.5	-167.2	0	0	112.2	K1173 E1174 L1175 S1180 A1181	K1173-E1177 WeakPolarHBondContact CE-OE1 3.09Å; K1173-E1177 IonicContact NZ-OE1 3.93Å; K1173-E1177 PolarHBondContact NZ-OE1 3.02Å; K1173-E1177 WeakPolarHBondContact O-CG 3.48Å; K1173-E1177 PolarHBondContact O-N 3.02Å; E1174-E1177 PolarHBondContact O-N 3.17Å; L1175-E1177 PolarHBondContact O-N 2.75Å; E1177-S1180 PolarHBondContact O-N 2.75Å; E1177-A1181 WeakPolarHBondContact O-CB 3.5Å; E1177-A1181 PolarHBondContact O-N 3.04Å
1178	V	92.9	Very high	92.7	Very high	99 Å²	99	95.6 Å²	95.6	60%	0.6	51%	0.507	S	S	*	.	H	α-helix	trans	-67.2	-42.3	175.4	170	0	0	0	0	111.7	E1174 L1175 S1180 A1181 L1182	E1174-V1178 WeakPolarHBondContact O-CB 3.29Å; E1174-V1178 VanDerWaalsContact O-CG2 3.31Å; E1174-V1178 WeakPolarHBondContact O-CG2 3.32Å; E1174-V1178 PolarHBondContact O-N 3.23Å; L1175-V1178 PolarHBondContact O-N 2.63Å; V1178-S1180 VanDerWaalsContact C-N 3.32Å; V1178-S1180 PolarHBondContact O-N 3.11Å; V1178-A1181 PolarHBondContact O-N 2.91Å; V1178-L1182 WeakPolarHBondContact O-CB 3.12Å; V1178-L1182 PolarHBondContact O-N 3.44Å
1179	T	94.1	Very high	92.8	Very high	83 Å²	83	95.2 Å²	95.2	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-40.7	174.1	-61.2	0	0	0	0	111.4	L1175 A1181 L1182 S1183	L1175-T1179 WeakPolarHBondContact O-CB 3.41Å; L1175-T1179 PolarHBondContact O-N 3.2Å; L1175-T1179 PolarHBondContact O-OG1 2.62Å; T1179-A1181 VanDerWaalsContact C-N 3.35Å; T1179-A1181 PolarHBondContact O-N 3.02Å; T1179-L1182 PolarHBondContact O-N 3.34Å; T1179-S1183 WeakPolarHBondContact O-CB 3.42Å; T1179-S1183 PolarHBondContact O-N 2.61Å
1180	S	94.3	Very high	92.9	Very high	47 Å²	47	96.1 Å²	96.1	33%	0.329	50%	0.504	S	S	.	.	H	α-helix	trans	-64.6	-36.8	174.7	-62.7	0	0	0	0	112.7	E1176 E1177 V1178 R1184	E1176-S1180 VanDerWaalsContact O-CB 3.29Å; E1176-S1180 WeakPolarHBondContact O-CB 3.41Å; E1176-S1180 PolarHBondContact O-N 2.79Å; E1176-S1180 PolarHBondContact O-OG 3.39Å; E1177-S1180 PolarHBondContact O-N 2.75Å; V1178-S1180 VanDerWaalsContact C-N 3.32Å; V1178-S1180 PolarHBondContact O-N 3.11Å; S1180-R1184 WeakPolarHBondContact O-CD 3.45Å; S1180-R1184 VanDerWaalsContact O-CG 3.3Å; S1180-R1184 WeakPolarHBondContact O-CG 3.35Å; S1180-R1184 PolarHBondContact O-N 2.92Å
1181	A	92.8	Very high	92.9	Very high	48 Å²	48	95 Å²	95	40%	0.397	50%	0.498	S	S	.	.	H	α-helix	trans	-68.2	-46.3	174.3	0	0	0	0	0	111.6	E1177 V1178 T1179 S1183 R1184 T1185	E1177-A1181 WeakPolarHBondContact O-CB 3.5Å; E1177-A1181 PolarHBondContact O-N 3.04Å; V1178-A1181 PolarHBondContact O-N 2.91Å; T1179-A1181 VanDerWaalsContact C-N 3.35Å; T1179-A1181 PolarHBondContact O-N 3.02Å; A1181-S1183 PolarHBondContact O-N 3.49Å; A1181-R1184 PolarHBondContact O-N 3.14Å; A1181-T1185 PolarHBondContact O-N 3.19Å; A1181-T1185 VanDerWaalsContact O-N 3.08Å
1182	L	92.4	Very high	93	Very high	96 Å²	96	94.1 Å²	94.1	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-56.5	-51.1	177.5	179.6	61.8	0	0	0	111.1	V1178 T1179 R1184 T1185 E1186	V1178-L1182 WeakPolarHBondContact O-CB 3.12Å; V1178-L1182 PolarHBondContact O-N 3.44Å; T1179-L1182 PolarHBondContact O-N 3.34Å; L1182-R1184 VanDerWaalsContact C-N 3.32Å; L1182-R1184 PolarHBondContact O-N 3.22Å; L1182-T1185 CarbonylContact O-C 3.57Å; L1182-T1185 WeakPolarHBondContact O-CA 3.31Å; L1182-T1185 PolarHBondContact O-N 2.96Å; L1182-T1185 PolarHBondContact O-OG1 3.12Å; L1182-E1186 HydrophobicContact CD1-CG 4.41Å; L1182-E1186 PolarHBondContact O-N 2.94Å
1183	S	93.4	Very high	93	Very high	55 Å²	55	96.7 Å²	96.7	39%	0.385	50%	0.499	S	S	.	.	H	α-helix	trans	-54	-44.5	178.3	174.5	0	0	0	0	112.7	T1179 A1181 T1185 E1186 E1187	T1179-S1183 WeakPolarHBondContact O-CB 3.42Å; T1179-S1183 PolarHBondContact O-N 2.61Å; A1181-S1183 PolarHBondContact O-N 3.49Å; S1183-T1185 VanDerWaalsContact C-N 3.33Å; S1183-T1185 PolarHBondContact O-N 3.15Å; S1183-E1186 PolarHBondContact O-N 3.4Å; S1183-E1187 WeakPolarHBondContact O-CG 3.42Å; S1183-E1187 PolarHBondContact O-N 3.28Å
1184	R	93.8	Very high	93	Very high	167 Å²	167	96.3 Å²	96.3	63%	0.63	50%	0.499	S	S	*	.	H	α-helix	trans	-63.7	-36.5	175.7	-66.8	167	-170.8	163.7	6.1	112.5	S1180 A1181 L1182 T1188	S1180-R1184 WeakPolarHBondContact O-CD 3.45Å; S1180-R1184 VanDerWaalsContact O-CG 3.3Å; S1180-R1184 WeakPolarHBondContact O-CG 3.35Å; S1180-R1184 PolarHBondContact O-N 2.92Å; A1181-R1184 PolarHBondContact O-N 3.14Å; L1182-R1184 VanDerWaalsContact C-N 3.32Å; L1182-R1184 PolarHBondContact O-N 3.22Å; R1184-T1188 WeakPolarHBondContact O-CB 3.31Å; R1184-T1188 PolarHBondContact O-N 3.42Å; R1184-T1188 PolarHBondContact O-OG1 3Å
1185	T	90.2	Very high	92.9	Very high	85 Å²	85	97.9 Å²	97.9	52%	0.521	50%	0.504	S	S	.	.	H	α-helix	trans	-70.9	-34.6	175	62	0	0	0	0	112.6	A1181 L1182 S1183 T1188 L1189	A1181-T1185 PolarHBondContact O-N 3.19Å; A1181-T1185 VanDerWaalsContact O-N 3.08Å; L1182-T1185 CarbonylContact O-C 3.57Å; L1182-T1185 WeakPolarHBondContact O-CA 3.31Å; L1182-T1185 PolarHBondContact O-N 2.96Å; L1182-T1185 PolarHBondContact O-OG1 3.12Å; S1183-T1185 VanDerWaalsContact C-N 3.33Å; S1183-T1185 PolarHBondContact O-N 3.15Å; T1185-T1188 PolarHBondContact O-N 2.84Å; T1185-L1189 VanDerWaalsContact O-CB 3.32Å; T1185-L1189 WeakPolarHBondContact O-CB 3.28Å; T1185-L1189 PolarHBondContact O-N 3.2Å
1186	E	92.7	Very high	93.1	Very high	104 Å²	104	96.7 Å²	96.7	49%	0.486	49%	0.494	S	S	.	.	H	α-helix	trans	-67.6	-41.7	174.4	-68.8	-171.8	148.8	0	0	112.3	L1182 S1183 L1189 R1190	L1182-E1186 HydrophobicContact CD1-CG 4.41Å; L1182-E1186 PolarHBondContact O-N 2.94Å; S1183-E1186 PolarHBondContact O-N 3.4Å; E1186-L1189 PolarHBondContact O-N 2.78Å; E1186-R1190 WeakPolarHBondContact O-CB 3.1Å; E1186-R1190 PolarHBondContact O-N 2.98Å
1187	E	94.3	Very high	93	Very high	113 Å²	113	94.5 Å²	94.5	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-43.3	172.7	-71.7	-176.8	157.3	0	0	111.5	S1183 L1189 R1190 A1191	S1183-E1187 WeakPolarHBondContact O-CG 3.42Å; S1183-E1187 PolarHBondContact O-N 3.28Å; E1187-L1189 PolarHBondContact O-N 2.89Å; E1187-R1190 WeakPolarHBondContact O-CB 3.45Å; E1187-R1190 PolarHBondContact O-N 3.22Å; E1187-A1191 PolarHBondContact O-N 3.28Å
1188	T	93	Very high	92.9	Very high	89 Å²	89	93.7 Å²	93.7	55%	0.546	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-44.9	175.3	-57	0	0	0	0	111	R1184 T1185 R1190 A1191 V1192	R1184-T1188 WeakPolarHBondContact O-CB 3.31Å; R1184-T1188 PolarHBondContact O-N 3.42Å; R1184-T1188 PolarHBondContact O-OG1 3Å; T1185-T1188 PolarHBondContact O-N 2.84Å; T1188-R1190 VanDerWaalsContact C-N 3.34Å; T1188-R1190 PolarHBondContact O-N 2.81Å; T1188-A1191 PolarHBondContact O-N 2.66Å; T1188-V1192 WeakPolarHBondContact O-CG2 3.15Å; T1188-V1192 PolarHBondContact O-N 2.95Å
1189	L	91.1	Very high	92.8	Very high	92 Å²	92	95.8 Å²	95.8	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-37.2	176.6	-179.1	62.5	0	0	0	112.1	T1185 E1186 E1187 V1192 K1193	T1185-L1189 VanDerWaalsContact O-CB 3.32Å; T1185-L1189 WeakPolarHBondContact O-CB 3.28Å; T1185-L1189 PolarHBondContact O-N 3.2Å; E1186-L1189 PolarHBondContact O-N 2.78Å; E1187-L1189 PolarHBondContact O-N 2.89Å; L1189-V1192 PolarHBondContact O-N 3.17Å; L1189-K1193 HydrophobicContact CG-CD 4.36Å; L1189-K1193 WeakPolarHBondContact O-CG 3.5Å; L1189-K1193 PolarHBondContact O-N 2.83Å
1190	R	94.2	Very high	92.7	Very high	135 Å²	135	97.9 Å²	97.9	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-50	174.4	-170.2	-176.4	-62.4	130.3	6.2	110.9	E1186 E1187 T1188 V1192 K1193 E1194	E1186-R1190 WeakPolarHBondContact O-CB 3.1Å; E1186-R1190 PolarHBondContact O-N 2.98Å; E1187-R1190 WeakPolarHBondContact O-CB 3.45Å; E1187-R1190 PolarHBondContact O-N 3.22Å; T1188-R1190 VanDerWaalsContact C-N 3.34Å; T1188-R1190 PolarHBondContact O-N 2.81Å; R1190-V1192 VanDerWaalsContact C-N 3.28Å; R1190-V1192 PolarHBondContact O-N 2.79Å; R1190-K1193 WeakPolarHBondContact O-CB 3.35Å; R1190-K1193 PolarHBondContact O-N 2.94Å; R1190-K1193 VanDerWaalsContact O-N 3.09Å; R1190-E1194 WeakPolarHBondContact CG-OE1 3.4Å; R1190-E1194 WeakPolarHBondContact O-CG 3.43Å; R1190-E1194 PolarHBondContact O-N 3.31Å
1191	A	93.2	Very high	92.5	Very high	38 Å²	38	101.5 Å²	101.5	31%	0.314	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-31.5	177.3	0	0	0	0	0	113.2	E1187 T1188 K1195	E1187-A1191 PolarHBondContact O-N 3.28Å; T1188-A1191 PolarHBondContact O-N 2.66Å; A1191-K1195 VanDerWaalsContact O-CG 3.27Å; A1191-K1195 WeakPolarHBondContact O-CG 3.38Å; A1191-K1195 PolarHBondContact O-N 2.78Å; A1191-K1195 VanDerWaalsContact O-N 3.17Å
1192	V	92.8	Very high	92.5	Very high	82 Å²	82	104.3 Å²	104.3	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-71.2	-40.8	172.2	169.6	0	0	0	0	111.6	T1188 L1189 R1190 K1195 K1196	T1188-V1192 WeakPolarHBondContact O-CG2 3.15Å; T1188-V1192 PolarHBondContact O-N 2.95Å; L1189-V1192 PolarHBondContact O-N 3.17Å; R1190-V1192 VanDerWaalsContact C-N 3.28Å; R1190-V1192 PolarHBondContact O-N 2.79Å; V1192-K1195 PolarHBondContact O-N 3.38Å; V1192-K1196 PolarHBondContact O-N 3.18Å
1193	K	92.2	Very high	92.3	Very high	128 Å²	128	105 Å²	105	56%	0.557	51%	0.511	S	S	*	.	H	α-helix	trans	-63.6	-43.3	175.1	-75.6	172.1	178.7	177.6	0	112.1	L1189 R1190 K1195 K1196 T1197	L1189-K1193 HydrophobicContact CG-CD 4.36Å; L1189-K1193 WeakPolarHBondContact O-CG 3.5Å; L1189-K1193 PolarHBondContact O-N 2.83Å; R1190-K1193 WeakPolarHBondContact O-CB 3.35Å; R1190-K1193 PolarHBondContact O-N 2.94Å; R1190-K1193 VanDerWaalsContact O-N 3.09Å; K1193-K1195 PolarHBondContact O-N 2.96Å; K1193-K1196 PolarHBondContact O-N 3.32Å; K1193-K1196 VanDerWaalsContact O-N 3.16Å; K1193-T1197 PolarHBondContact O-N 3.32Å; K1193-T1197 PolarHBondContact O-OG1 2.75Å
1194	E	93.3	Very high	92.2	Very high	110 Å²	110	105.1 Å²	105.1	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-59.5	-44.3	174.9	-72.6	166.5	-169.8	0	0	111.5	R1190 T1197 V1198	R1190-E1194 WeakPolarHBondContact CG-OE1 3.4Å; R1190-E1194 WeakPolarHBondContact O-CG 3.43Å; R1190-E1194 PolarHBondContact O-N 3.31Å; E1194-T1197 WeakPolarHBondContact CA-OG1 3.38Å; E1194-T1197 PolarHBondContact O-N 3.25Å; E1194-T1197 PolarHBondContact O-OG1 2.75Å; E1194-V1198 WeakPolarHBondContact O-CG2 3.34Å; E1194-V1198 PolarHBondContact O-N 2.79Å
1195	K	92.4	Very high	92	Very high	125 Å²	125	101.3 Å²	101.3	54%	0.543	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-44.2	172.1	-72.3	169.7	-174.5	176.8	0	112.2	A1191 V1192 K1193 T1197 V1198 Y1199	A1191-K1195 VanDerWaalsContact O-CG 3.27Å; A1191-K1195 WeakPolarHBondContact O-CG 3.38Å; A1191-K1195 PolarHBondContact O-N 2.78Å; A1191-K1195 VanDerWaalsContact O-N 3.17Å; V1192-K1195 PolarHBondContact O-N 3.38Å; K1193-K1195 PolarHBondContact O-N 2.96Å; K1195-T1197 VanDerWaalsContact C-N 3.31Å; K1195-T1197 PolarHBondContact O-N 3.47Å; K1195-V1198 PolarHBondContact O-N 3.37Å; K1195-Y1199 HydrophobicContact CB-CD2 4.45Å; K1195-Y1199 HydrophobicContact CB-CE2 4.08Å; K1195-Y1199 WeakPolarHBondContact O-CD2 3.36Å; K1195-Y1199 PolarHBondContact O-N 3.22Å
1196	K	93	Very high	92	Very high	94 Å²	94	100.2 Å²	100.2	41%	0.409	50%	0.5	S	S	.	.	H	α-helix	trans	-59.4	-40.3	176	-172.5	156.6	-173.6	156.5	0	111.1	V1192 K1193 Y1199 Y1200 D1247	V1192-K1196 PolarHBondContact O-N 3.18Å; K1193-K1196 PolarHBondContact O-N 3.32Å; K1193-K1196 VanDerWaalsContact O-N 3.16Å; K1196-Y1199 PolarHBondContact O-N 2.79Å; K1196-Y1200 HydrophobicContact CD-CE2 4.16Å; K1196-Y1200 WeakPolarHBondContact CE-OH 3.47Å; K1196-Y1200 HydrophobicContact CG-CD2 3.97Å; K1196-Y1200 HydrophobicContact CG-CE2 3.62Å; K1196-Y1200 WeakPolarHBondContact O-CD2 3.42Å; K1196-Y1200 PolarHBondContact O-N 3.43Å; K1196-Y1200 VanDerWaalsContact O-N 3.08Å; K1196-D1247 IonicContact NZ-OD2 3.71Å; K1196-D1247 PolarHBondContact NZ-OD2 3.35Å
1197	T	91.8	Very high	91.8	Very high	90 Å²	90	97.9 Å²	97.9	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-65.7	-43.4	173.9	47.8	0	0	0	0	113.5	K1193 E1194 K1195 Y1199 Y1200 E1201	K1193-T1197 PolarHBondContact O-N 3.32Å; K1193-T1197 PolarHBondContact O-OG1 2.75Å; E1194-T1197 WeakPolarHBondContact CA-OG1 3.38Å; E1194-T1197 PolarHBondContact O-N 3.25Å; E1194-T1197 PolarHBondContact O-OG1 2.75Å; K1195-T1197 VanDerWaalsContact C-N 3.31Å; K1195-T1197 PolarHBondContact O-N 3.47Å; T1197-Y1199 VanDerWaalsContact C-N 3.32Å; T1197-Y1199 PolarHBondContact O-N 2.72Å; T1197-Y1200 PolarHBondContact O-N 3.25Å; T1197-E1201 PolarHBondContact O-N 3.45Å
1198	V	92.5	Very high	91.5	Very high	87 Å²	87	96.6 Å²	96.6	53%	0.527	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-37.3	177	171.4	0	0	0	0	111.6	E1194 K1195 E1201 L1202	E1194-V1198 WeakPolarHBondContact O-CG2 3.34Å; E1194-V1198 PolarHBondContact O-N 2.79Å; K1195-V1198 PolarHBondContact O-N 3.37Å; V1198-E1201 PolarHBondContact O-N 2.98Å; V1198-L1202 WeakPolarHBondContact O-CB 3.42Å; V1198-L1202 PolarHBondContact O-N 3.13Å
1199	Y	91.4	Very high	91.4	Very high	144 Å²	144	95.8 Å²	95.8	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-66.8	-41.3	174.7	-67.6	-49.7	0	0	0	112.5	K1195 K1196 T1197 L1202 M1203	K1195-Y1199 HydrophobicContact CB-CD2 4.45Å; K1195-Y1199 HydrophobicContact CB-CE2 4.08Å; K1195-Y1199 WeakPolarHBondContact O-CD2 3.36Å; K1195-Y1199 PolarHBondContact O-N 3.22Å; K1196-Y1199 PolarHBondContact O-N 2.79Å; T1197-Y1199 VanDerWaalsContact C-N 3.32Å; T1197-Y1199 PolarHBondContact O-N 2.72Å; Y1199-L1202 PolarHBondContact O-N 3.47Å; Y1199-M1203 WeakPolarHBondContact O-CB 3.26Å; Y1199-M1203 VanDerWaalsContact O-CG 3.3Å; Y1199-M1203 WeakPolarHBondContact O-CG 3.45Å; Y1199-M1203 PolarHBondContact O-N 3.06Å
1200	Y	91.4	Very high	91.3	Very high	127 Å²	127	97 Å²	97	50%	0.498	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-41	173.3	-80.6	-61.4	0	0	0	112.7	K1196 T1197 M1203 S1204	K1196-Y1200 HydrophobicContact CD-CE2 4.16Å; K1196-Y1200 WeakPolarHBondContact CE-OH 3.47Å; K1196-Y1200 HydrophobicContact CG-CD2 3.97Å; K1196-Y1200 HydrophobicContact CG-CE2 3.62Å; K1196-Y1200 WeakPolarHBondContact O-CD2 3.42Å; K1196-Y1200 PolarHBondContact O-N 3.43Å; K1196-Y1200 VanDerWaalsContact O-N 3.08Å; T1197-Y1200 PolarHBondContact O-N 3.25Å; Y1200-M1203 HydrophobicContact CD1-CE 3.65Å; Y1200-M1203 HydrophobicContact CE1-CE 4.02Å; Y1200-M1203 HydrophobicContact CG-CE 4.31Å; Y1200-M1203 PolarHBondContact O-N 3.04Å; Y1200-S1204 VanDerWaalsContact O-CB 3.24Å; Y1200-S1204 WeakPolarHBondContact O-CB 3.28Å; Y1200-S1204 PolarHBondContact O-N 3.43Å
1201	E	91.2	Very high	91	Very high	122 Å²	122	95.2 Å²	95.2	57%	0.57	50%	0.498	S	S	*	.	H	α-helix	trans	-63.7	-44.1	176.5	-175.2	175.5	-176.1	0	0	111.3	T1197 V1198 S1204 N1205	T1197-E1201 PolarHBondContact O-N 3.45Å; V1198-E1201 PolarHBondContact O-N 2.98Å; E1201-S1204 PolarHBondContact O-N 3.49Å; E1201-N1205 WeakPolarHBondContact O-CB 3.23Å; E1201-N1205 VanDerWaalsContact O-CG 3.24Å; E1201-N1205 PolarHBondContact O-N 2.99Å; E1201-N1205 PolarHBondContact O-ND2 2.7Å
1202	L	91.2	Very high	90.7	Very high	107 Å²	107	98.2 Å²	98.2	56%	0.56	51%	0.513	S	S	*	.	H	α-helix	trans	-62.3	-46	175.7	-175.2	64.1	0	0	0	111.9	V1198 Y1199 S1204 N1205 S1206	V1198-L1202 WeakPolarHBondContact O-CB 3.42Å; V1198-L1202 PolarHBondContact O-N 3.13Å; Y1199-L1202 PolarHBondContact O-N 3.47Å; L1202-S1204 PolarHBondContact O-N 3.37Å; L1202-N1205 PolarHBondContact O-N 2.96Å; L1202-S1206 WeakPolarHBondContact O-CB 3.43Å; L1202-S1206 PolarHBondContact O-N 3.35Å; L1202-S1206 PolarHBondContact O-OG 3.3Å
1203	M	89.4	Confident	90.4	Very high	111 Å²	111	98.1 Å²	98.1	55%	0.547	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-42.3	176	-73.8	-172.2	-64.4	0	0	112	Y1199 Y1200 S1206 A1207	Y1199-M1203 WeakPolarHBondContact O-CB 3.26Å; Y1199-M1203 VanDerWaalsContact O-CG 3.3Å; Y1199-M1203 WeakPolarHBondContact O-CG 3.45Å; Y1199-M1203 PolarHBondContact O-N 3.06Å; Y1200-M1203 HydrophobicContact CD1-CE 3.65Å; Y1200-M1203 HydrophobicContact CE1-CE 4.02Å; Y1200-M1203 HydrophobicContact CG-CE 4.31Å; Y1200-M1203 PolarHBondContact O-N 3.04Å; M1203-S1206 PolarHBondContact O-N 3.06Å; M1203-A1207 VanDerWaalsContact O-CB 3.29Å; M1203-A1207 WeakPolarHBondContact O-CB 3.42Å; M1203-A1207 PolarHBondContact O-N 2.9Å
1204	S	90.4	Very high	90.1	Very high	58 Å²	58	95.6 Å²	95.6	41%	0.406	51%	0.508	S	S	.	.	H	α-helix	trans	-61.4	-48.3	175.3	-176.6	0	0	0	0	111.2	Y1200 E1201 L1202 S1206 A1207 N1208	Y1200-S1204 VanDerWaalsContact O-CB 3.24Å; Y1200-S1204 WeakPolarHBondContact O-CB 3.28Å; Y1200-S1204 PolarHBondContact O-N 3.43Å; E1201-S1204 PolarHBondContact O-N 3.49Å; L1202-S1204 PolarHBondContact O-N 3.37Å; S1204-S1206 PolarHBondContact O-N 2.95Å; S1204-A1207 PolarHBondContact O-N 3.09Å; S1204-N1208 WeakPolarHBondContact O-CB 3.28Å; S1204-N1208 PolarHBondContact O-N 3.17Å; S1204-N1208 PolarHBondContact O-ND2 3.15Å; S1204-N1208 PolarHBondContact OG-ND2 3.14Å
1205	N	91.3	Very high	89.6	Confident	87 Å²	87	94.3 Å²	94.3	47%	0.465	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-39.6	178.9	-72.7	-25.4	0	0	0	112.3	E1201 L1202 S1209	E1201-N1205 WeakPolarHBondContact O-CB 3.23Å; E1201-N1205 VanDerWaalsContact O-CG 3.24Å; E1201-N1205 PolarHBondContact O-N 2.99Å; E1201-N1205 PolarHBondContact O-ND2 2.7Å; L1202-N1205 PolarHBondContact O-N 2.96Å; N1205-S1209 WeakPolarHBondContact O-CB 3.42Å; N1205-S1209 PolarHBondContact O-N 2.91Å
1206	S	88.9	Confident	89.2	Confident	61 Å²	61	90.1 Å²	90.1	43%	0.427	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-41.7	172	-67.5	0	0	0	0	112.6	L1202 M1203 S1204 S1209 L1210	L1202-S1206 WeakPolarHBondContact O-CB 3.43Å; L1202-S1206 PolarHBondContact O-N 3.35Å; L1202-S1206 PolarHBondContact O-OG 3.3Å; M1203-S1206 PolarHBondContact O-N 3.06Å; S1204-S1206 PolarHBondContact O-N 2.95Å; S1206-S1209 PolarHBondContact O-N 3.24Å; S1206-L1210 WeakPolarHBondContact O-CB 3.49Å; S1206-L1210 VanDerWaalsContact O-CG 3.31Å; S1206-L1210 WeakPolarHBondContact O-CG 3.31Å; S1206-L1210 PolarHBondContact O-N 3.28Å
1207	A	88.3	Confident	88.6	Confident	55 Å²	55	91 Å²	91	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-43.2	176.7	0	0	0	0	0	112.1	M1203 S1204 L1210 M1211	M1203-A1207 VanDerWaalsContact O-CB 3.29Å; M1203-A1207 WeakPolarHBondContact O-CB 3.42Å; M1203-A1207 PolarHBondContact O-N 2.9Å; S1204-A1207 PolarHBondContact O-N 3.09Å; A1207-L1210 PolarHBondContact O-N 3.08Å; A1207-M1211 VanDerWaalsContact O-CB 3.31Å; A1207-M1211 WeakPolarHBondContact O-CB 3.43Å; A1207-M1211 PolarHBondContact O-N 2.92Å
1208	N	89.6	Confident	87.8	Confident	87 Å²	87	89.4 Å²	89.4	47%	0.465	49%	0.493	S	S	.	.	H	α-helix	trans	-65.9	-38.4	175.9	-69	-32.1	0	0	0	111.9	S1204 T1212	S1204-N1208 WeakPolarHBondContact O-CB 3.28Å; S1204-N1208 PolarHBondContact O-N 3.17Å; S1204-N1208 PolarHBondContact O-ND2 3.15Å; S1204-N1208 PolarHBondContact OG-ND2 3.14Å; N1208-T1212 WeakPolarHBondContact O-CB 3.4Å; N1208-T1212 PolarHBondContact O-N 3.32Å; N1208-T1212 PolarHBondContact O-OG1 3.47Å
1209	S	90.3	Very high	87.1	Confident	71 Å²	71	88.9 Å²	88.9	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-49.2	174	-179.3	0	0	0	0	111.3	N1205 S1206 M1211 T1212 T1213	N1205-S1209 WeakPolarHBondContact O-CB 3.42Å; N1205-S1209 PolarHBondContact O-N 2.91Å; S1206-S1209 PolarHBondContact O-N 3.24Å; S1209-M1211 PolarHBondContact O-N 3.22Å; S1209-T1212 WeakPolarHBondContact O-CB 3.39Å; S1209-T1212 PolarHBondContact O-N 3.23Å; S1209-T1212 VanDerWaalsContact O-N 3.16Å; S1209-T1213 PolarHBondContact O-N 3.07Å; S1209-T1213 PolarHBondContact O-OG1 3.08Å; S1209-T1213 VanDerWaalsContact O-OG1 3.12Å
1210	L	88.6	Confident	86.3	Confident	117 Å²	117	86 Å²	86	61%	0.613	49%	0.485	S	S	*	.	H	α-helix	trans	-58.5	-45.3	174.7	-76.9	166.6	0	0	0	111.9	S1206 A1207 T1212 T1213 V1214	S1206-L1210 WeakPolarHBondContact O-CB 3.49Å; S1206-L1210 VanDerWaalsContact O-CG 3.31Å; S1206-L1210 WeakPolarHBondContact O-CG 3.31Å; S1206-L1210 PolarHBondContact O-N 3.28Å; A1207-L1210 PolarHBondContact O-N 3.08Å; L1210-T1212 VanDerWaalsContact C-N 3.3Å; L1210-T1212 PolarHBondContact O-N 3.08Å; L1210-T1213 PolarHBondContact O-N 3.26Å; L1210-V1214 WeakPolarHBondContact O-CB 3.3Å; L1210-V1214 WeakPolarHBondContact O-CG2 3.41Å; L1210-V1214 PolarHBondContact O-N 2.76Å
1211	M	87.1	Confident	85.2	Confident	99 Å²	99	85.3 Å²	85.3	49%	0.488	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-35.7	177.4	-175.6	163.6	-76.9	0	0	111.8	A1207 S1209 V1214 N1215	A1207-M1211 VanDerWaalsContact O-CB 3.31Å; A1207-M1211 WeakPolarHBondContact O-CB 3.43Å; A1207-M1211 PolarHBondContact O-N 2.92Å; S1209-M1211 PolarHBondContact O-N 3.22Å; M1211-V1214 PolarHBondContact O-N 3.48Å; M1211-N1215 VanDerWaalsContact O-CB 3.31Å; M1211-N1215 WeakPolarHBondContact O-CB 3.44Å; M1211-N1215 PolarHBondContact O-N 2.73Å; M1211-N1215 PolarHBondContact O-ND2 2.92Å
1212	T	87.6	Confident	84	Confident	100 Å²	100	85.6 Å²	85.6	61%	0.613	49%	0.489	S	S	*	.	H	α-helix	trans	-67.7	-40.4	173.8	-58.1	0	0	0	0	111.4	N1208 S1209 L1210 G1216	N1208-T1212 WeakPolarHBondContact O-CB 3.4Å; N1208-T1212 PolarHBondContact O-N 3.32Å; N1208-T1212 PolarHBondContact O-OG1 3.47Å; S1209-T1212 WeakPolarHBondContact O-CB 3.39Å; S1209-T1212 PolarHBondContact O-N 3.23Å; S1209-T1212 VanDerWaalsContact O-N 3.16Å; L1210-T1212 VanDerWaalsContact C-N 3.3Å; L1210-T1212 PolarHBondContact O-N 3.08Å; T1212-G1216 PolarHBondContact O-N 3.31Å
1213	T	87.4	Confident	82.5	Confident	80 Å²	80	88.4 Å²	88.4	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-65	-43.2	173.4	-54.4	0	0	0	0	111.7	S1209 L1210 G1216 L1217	S1209-T1213 PolarHBondContact O-N 3.07Å; S1209-T1213 PolarHBondContact O-OG1 3.08Å; S1209-T1213 VanDerWaalsContact O-OG1 3.12Å; L1210-T1213 PolarHBondContact O-N 3.26Å; T1213-G1216 PolarHBondContact O-N 3.48Å; T1213-L1217 HydrophobicContact CG2-CD1 4.27Å; T1213-L1217 WeakPolarHBondContact O-CG 2.91Å; T1213-L1217 PolarHBondContact O-N 3.26Å
1214	V	84.8	Confident	80.8	Confident	76 Å²	76	90 Å²	90	46%	0.461	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-44.7	175.8	168.8	0	0	0	0	111.1	L1210 M1211 G1216 L1217 L1218	L1210-V1214 WeakPolarHBondContact O-CB 3.3Å; L1210-V1214 WeakPolarHBondContact O-CG2 3.41Å; L1210-V1214 PolarHBondContact O-N 2.76Å; M1211-V1214 PolarHBondContact O-N 3.48Å; V1214-G1216 PolarHBondContact O-N 3.37Å; V1214-L1217 PolarHBondContact O-N 3.07Å; V1214-L1218 HydrophobicContact CG1-CD1 3.98Å; V1214-L1218 HydrophobicContact CG1-CG 4.45Å; V1214-L1218 WeakPolarHBondContact O-CB 3.43Å; V1214-L1218 VanDerWaalsContact O-CG 3.31Å; V1214-L1218 WeakPolarHBondContact O-CG 3.4Å; V1214-L1218 PolarHBondContact O-N 3.47Å
1215	N	83.9	Confident	78.7	Confident	82 Å²	82	95 Å²	95	44%	0.439	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-40.5	175.7	-70.9	-12.6	0	0	0	111.7	M1211 L1217 L1218 D1219	M1211-N1215 VanDerWaalsContact O-CB 3.31Å; M1211-N1215 WeakPolarHBondContact O-CB 3.44Å; M1211-N1215 PolarHBondContact O-N 2.73Å; M1211-N1215 PolarHBondContact O-ND2 2.92Å; N1215-L1217 PolarHBondContact O-N 3.23Å; N1215-L1218 PolarHBondContact O-N 3.06Å; N1215-D1219 WeakPolarHBondContact O-CB 3.28Å; N1215-D1219 PolarHBondContact O-N 3.34Å
1216	G	83.9	Confident	76.3	Confident	38 Å²	38	94 Å²	94	39%	0.392	54%	0.535	S	S	.	.	H	α-helix	trans	-62	-40.5	173.4	0	0	0	0	0	113.2	T1212 T1213 V1214 D1219 V1220	T1212-G1216 PolarHBondContact O-N 3.31Å; T1213-G1216 PolarHBondContact O-N 3.48Å; V1214-G1216 PolarHBondContact O-N 3.37Å; G1216-D1219 PolarHBondContact O-N 2.92Å; G1216-V1220 WeakPolarHBondContact O-CG2 3.15Å; G1216-V1220 PolarHBondContact O-N 3.04Å
1217	L	80.3	Confident	73.9	Confident	112 Å²	112	94.8 Å²	94.8	59%	0.586	55%	0.552	S	S	*	*	H	α-helix	trans	-66.7	-40.5	173.7	-72.1	168.7	0	0	0	111.9	T1213 V1214 N1215 D1219 V1220 L1221	T1213-L1217 HydrophobicContact CG2-CD1 4.27Å; T1213-L1217 WeakPolarHBondContact O-CG 2.91Å; T1213-L1217 PolarHBondContact O-N 3.26Å; V1214-L1217 PolarHBondContact O-N 3.07Å; N1215-L1217 PolarHBondContact O-N 3.23Å; L1217-D1219 VanDerWaalsContact C-N 3.35Å; L1217-V1220 PolarHBondContact O-N 3.1Å; L1217-L1221 WeakPolarHBondContact O-CB 3.49Å; L1217-L1221 PolarHBondContact O-N 2.96Å
1218	L	75.1	Confident	71.8	Confident	57 Å²	57	99.3 Å²	99.3	30%	0.298	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-38.5	174.1	-72.8	168.5	0	0	0	111.9	V1214 N1215 L1221 K1222 I1238	V1214-L1218 HydrophobicContact CG1-CD1 3.98Å; V1214-L1218 HydrophobicContact CG1-CG 4.45Å; V1214-L1218 WeakPolarHBondContact O-CB 3.43Å; V1214-L1218 VanDerWaalsContact O-CG 3.31Å; V1214-L1218 WeakPolarHBondContact O-CG 3.4Å; V1214-L1218 PolarHBondContact O-N 3.47Å; N1215-L1218 PolarHBondContact O-N 3.06Å; L1218-L1221 WeakPolarHBondContact O-CB 3.37Å; L1218-L1221 PolarHBondContact O-N 3.27Å; L1218-K1222 VanDerWaalsContact O-CG 3.32Å; L1218-K1222 WeakPolarHBondContact O-CG 3.26Å; L1218-K1222 PolarHBondContact O-N 3.3Å; L1218-I1238 HydrophobicContact CD1-CD1 4.3Å
1219	D	76.1	Confident	69.4	Low	75 Å²	75	100.3 Å²	100.3	40%	0.401	58%	0.582	S	S	.	*	H	α-helix	trans	-75.1	-24.8	177.3	-77.3	-8.1	0	0	0	113.2	N1215 G1216 L1217 K1222 K1223	N1215-D1219 WeakPolarHBondContact O-CB 3.28Å; N1215-D1219 PolarHBondContact O-N 3.34Å; G1216-D1219 PolarHBondContact O-N 2.92Å; L1217-D1219 VanDerWaalsContact C-N 3.35Å; D1219-K1222 WeakPolarHBondContact OD1-CD 3.44Å; D1219-K1222 WeakPolarHBondContact OD1-CE 3.36Å; D1219-K1222 IonicContact OD1-NZ 2.66Å; D1219-K1222 PolarHBondContact OD1-NZ 3.45Å; D1219-K1223 VanDerWaalsContact O-CG 3.29Å; D1219-K1223 WeakPolarHBondContact O-CG 3.45Å; D1219-K1223 PolarHBondContact O-N 2.76Å
1220	V	76.3	Confident	67	Low	85 Å²	85	100.9 Å²	100.9	52%	0.515	60%	0.599	S	S	.	*	H	α-helix	trans	-68.4	-45.5	163.8	170.3	0	0	0	0	110.1	G1216 L1217 K1222 K1223 D1224	G1216-V1220 WeakPolarHBondContact O-CG2 3.15Å; G1216-V1220 PolarHBondContact O-N 3.04Å; L1217-V1220 PolarHBondContact O-N 3.1Å; V1220-K1222 VanDerWaalsContact C-N 3.28Å; V1220-K1222 PolarHBondContact O-N 3.09Å; V1220-K1223 PolarHBondContact O-N 2.87Å; V1220-D1224 PolarHBondContact O-N 3.25Å; V1220-D1224 VanDerWaalsContact O-N 3.1Å
1221	L	67.4	Low	64.7	Low	112 Å²	112	105 Å²	105	59%	0.586	62%	0.615	S	S	*	*	H	α-helix	trans	-59.7	-37.1	177.8	-141.6	78.3	0	0	0	112.7	L1217 L1218	L1217-L1221 WeakPolarHBondContact O-CB 3.49Å; L1217-L1221 PolarHBondContact O-N 2.96Å; L1218-L1221 WeakPolarHBondContact O-CB 3.37Å; L1218-L1221 PolarHBondContact O-N 3.27Å
1222	K	65.8	Low	62.3	Low	128 Å²	128	109.7 Å²	109.7	56%	0.557	63%	0.633	S	S	*	*	H	α-helix	trans	-68.7	-34.6	172.1	-69.4	170.1	-161.1	161.7	0	112.7	L1218 D1219 V1220 Q1225 G1226	L1218-K1222 VanDerWaalsContact O-CG 3.32Å; L1218-K1222 WeakPolarHBondContact O-CG 3.26Å; L1218-K1222 PolarHBondContact O-N 3.3Å; D1219-K1222 WeakPolarHBondContact OD1-CD 3.44Å; D1219-K1222 WeakPolarHBondContact OD1-CE 3.36Å; D1219-K1222 IonicContact OD1-NZ 2.66Å; D1219-K1222 PolarHBondContact OD1-NZ 3.45Å; V1220-K1222 VanDerWaalsContact C-N 3.28Å; V1220-K1222 PolarHBondContact O-N 3.09Å; K1222-Q1225 CarbonylContact O-C 3.56Å; K1222-Q1225 PolarHBondContact O-N 2.62Å; K1222-G1226 PolarHBondContact O-N 2.7Å
1223	K	60.2	Low	59.8	Low	165 Å²	165	109.9 Å²	109.9	72%	0.717	65%	0.645	S	S	*	*	H	α-helix	trans	-71.5	-35.9	-179.3	-82.1	172.1	179.6	172.2	0	112.8	D1219 V1220 Q1225 G1226	D1219-K1223 VanDerWaalsContact O-CG 3.29Å; D1219-K1223 WeakPolarHBondContact O-CG 3.45Å; D1219-K1223 PolarHBondContact O-N 2.76Å; V1220-K1223 PolarHBondContact O-N 2.87Å; K1223-Q1225 PolarHBondContact O-N 2.93Å; K1223-G1226 PolarHBondContact O-N 2.94Å; K1223-G1226 VanDerWaalsContact O-N 3.13Å
1224	D	52.7	Low	57.2	Low	144 Å²	144	110.2 Å²	110.2	77%	0.77	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-8.9	171.5	-82.7	-10.8	0	0	0	113.4	V1220	V1220-D1224 PolarHBondContact O-N 3.25Å; V1220-D1224 VanDerWaalsContact O-N 3.1Å
1225	Q	47.7	Very low	54.8	Low	163 Å²	163	111.4 Å²	111.4	76%	0.762	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	14.6	171.6	-61.3	-169.6	17	0	0	113.4	K1222 K1223	K1222-Q1225 CarbonylContact O-C 3.56Å; K1222-Q1225 PolarHBondContact O-N 2.62Å; K1223-Q1225 PolarHBondContact O-N 2.93Å
1226	G	40	Very low	52.4	Low	68 Å²	68	114.8 Å²	114.8	70%	0.701	69%	0.685	S	S	*	*			trans	-99.3	21.9	-178.3	0	0	0	0	0	115.6	K1222 K1223	K1222-G1226 PolarHBondContact O-N 2.7Å; K1223-G1226 PolarHBondContact O-N 2.94Å; K1223-G1226 VanDerWaalsContact O-N 3.13Å
1227	G	40	Very low	50	Low	76 Å²	76	118.3 Å²	118.3	78%	0.784	70%	0.704	S	S	*	*	S	Bend	trans	-112.8	-28.5	-160.8	0	0	0	0	0	118.3
1228	D	42.2	Very low	48.1	Very low	151 Å²	151	119.7 Å²	119.7	81%	0.807	71%	0.71	S	S	*	*	S	Bend	trans	-161.8	159.5	167.4	-159.8	1.3	0	0	0	110.8
1229	S	39.9	Very low	46	Very low	108 Å²	108	125.1 Å²	125.1	76%	0.755	73%	0.734	S	S	*	*	S	Bend	trans	59.7	76.5	172	60.6	0	0	0	0	118.7
1230	G	40.2	Very low	44	Very low	82 Å²	82	126.3 Å²	126.3	85%	0.845	75%	0.745	S	S	*	*			trans	42.1	112.4	137.1	0	0	0	0	0	122.9
1231	E	40.6	Very low	41.8	Very low	204 Å²	204	128.6 Å²	128.6	95%	0.953	76%	0.764	S	S	*	*			trans	-148.1	175.1	143.8	-140.1	178	-156.2	0	0	111.5
1232	K	35.8	Very low	40.4	Very low	197 Å²	197	129.6 Å²	129.6	86%	0.857	77%	0.766	S	S	*	*			trans	-149.2	89.3	-165.8	-150.8	-175.7	-168.2	-175.4	0	115.2
1233	A	34.7	Very low	38.8	Very low	104 Å²	104	130 Å²	130	86%	0.86	78%	0.78	S	S	*	*			trans	62.9	144.3	164.4	0	0	0	0	0	117.1
1234	A	34.4	Very low	37.7	Very low	87 Å²	87	128.9 Å²	128.9	72%	0.719	78%	0.781	S	S	*	*			cis	-159.8	169.1	20.9	0	0	0	0	0	113.8
1235	S	33.1	Very low	36.7	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	78%	0.784	S	S	*	*			trans	51.4	97.9	148.6	61.1	0	0	0	0	121.7
1236	D	33.3	Very low	36	Very low	153 Å²	153	122.9 Å²	122.9	82%	0.818	79%	0.787	S	S	*	*				63.2	153.4	115.7	-73	-34.3	0	0	0	125.7
1237	S	33.9	Very low	35.8	Very low	112 Å²	112	125.4 Å²	125.4	78%	0.783	78%	0.784	S	S	*	*			trans	78.6	94.6	160.2	69.2	0	0	0	0	119.2
1238	I	39.8	Very low	35.5	Very low	141 Å²	141	134.5 Å²	134.5	72%	0.723	81%	0.807	S	S	*	*			trans	-81.4	125.9	147.2	-65.4	171.4	0	0	0	107.2	L1218	L1218-I1238 HydrophobicContact CD1-CD1 4.3Å
1239	Q	32.3	Very low	35.1	Very low	171 Å²	171	133.7 Å²	133.7	80%	0.799	81%	0.806	S	S	*	*			trans	-133.8	108	168	-139.4	-176.4	20.9	0	0	112.7
1240	T	33.7	Very low	34.9	Very low	101 Å²	101	135 Å²	135	62%	0.62	81%	0.809	S	S	*	*			trans	41.1	106.7	149.1	58.1	0	0	0	0	119.7
1241	S	30.3	Very low	34.6	Very low	132 Å²	132	137.9 Å²	137.9	92%	0.923	81%	0.807	S	S	*	*			trans	-79.9	134.3	147	-57.1	0	0	0	0	109.8
1242	Q	36.7	Very low	34.2	Very low	133 Å²	133	134.1 Å²	134.1	62%	0.621	80%	0.799	S	S	*	*			trans	-93.3	141.1	177.7	-64.5	172.4	-59.2	0	0	111.9
1243	T	33	Very low	34.1	Very low	138 Å²	138	130.1 Å²	130.1	85%	0.847	80%	0.795	S	S	*	*			trans	-141	104.2	142.8	52.8	0	0	0	0	106
1244	N	36.4	Very low	34.1	Very low	141 Å²	141	131.9 Å²	131.9	75%	0.754	79%	0.791	S	S	*	*				76.3	130.1	64.3	-76.1	-2.8	0	0	0	114.7
1245	G	32.9	Very low	34.1	Very low	80 Å²	80	135.1 Å²	135.1	83%	0.825	80%	0.796	S	S	*	*			trans	93.8	137.4	-178.6	0	0	0	0	0	113.1
1246	A	33.6	Very low	34.1	Very low	100 Å²	100	137.7 Å²	137.7	83%	0.826	80%	0.803	S	S	*	*			cis	-159.9	141.4	-17.8	0	0	0	0	0	107.8
1247	D	34.2	Very low	34.2	Very low	121 Å²	121	136.4 Å²	136.4	65%	0.647	80%	0.801	S	S	*	*			trans	-135.4	129	176.2	-115	22.1	0	0	0	108.1	K1196	K1196-D1247 IonicContact NZ-OD2 3.71Å; K1196-D1247 PolarHBondContact NZ-OD2 3.35Å
1248	E	33.5	Very low	34.2	Very low	267 Å²	267	138.6 Å²	138.6	100%	1.248	80%	0.803	S	S	*	*			trans	-93.5	0	150	-74	-174.9	114.4	0	0	108.5

Retrieved 1,248 of 1,248 residues in 1151.3 ms (Link to these results)

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