A0A3Q0KMD6_SCHMA Loading...

Putative nicotinic acetylcholine receptor alpha 9b subunit

AlphaFold DB , UniProt , Accession A0A3Q0KMD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,155 aa.

						>A0A3Q0KMD6_SCHMA|A0A3Q0KMD6
MSNHQWIGNKSFYIHDTTNSTLSNMTEGYEPFSNYNTKITSKSYDYSKPPQPPPPPPQQQQQQNDAFHGNIPRIVLSPQLQRPIRNDQPIHETYFQSKQSYSSLFVQNRLETDHKSIIRQQNPYINHIQSYTKSSIQIMPESIISMNRLCKNQYQSNLNPCLLSYESTKPIESYLRPSTNVLIPKRTLSLEIPNHYLINTNKIMNPPPPPRRTISPIKCCILENHNNNNNNEEEPDIWNIGSSSGFDQSITFRHRRSRVSRSSFYDQKYKLLNKSKHHGDMNVINSECGSLLSTDEETVSLNTIDSEENMNVLNRYSNSLQPLNRNKQEIYGSTKTLIPSSKSWKFHHQDYPLSSSCKSVHWNKSQSNLMNKRLIPSDRKIETNLPLSIQPNNLPNSVNSPQFPYSSSVYDQPTTITKTYGDPSGDQWTVYYRNPNIPNIHIESSINDKPTTILGLSIPNKSTLHPNSYKSPLQHSNEYTTQIKNNQLVIPSKSSILETSSNFPNRIKLNQTNEMGSLDNTPHLPKKKRREQRLFSKKQTEYLIHSLESLINSIEKNNFNLELELKETNHLLNLNDKQSLCQQNPNHDLNLHRNSSLTTKIHPKGLNTKHGIVNRNEYKRKSANLNHLDEFTQNRNEKVAVEVRVVFLKIGEIDTLKELYYADAFLQAKWREPKLDGHTAEELSITELEQYWNPLLYIDNILSETKDTQWIMAVRNEYGEVYLMERRRIKGVFLETLELNDFPLDVQDLTITVTTERPDTEVDIIPDQVEMSAINIQTFVDQQEWKLHEHVEIKKRIIKQEYSSSMKSHPCLSVTCRAARRPGYFYWNVFLIMFMISGLAFATFAVSPDKAELRLRLSFTLILTSVTFKYVITQSLPKISYLTYMDKYVLMSLFILCIISIWHAVVTLIGLDFDLPDSPGFGSSLPGSTTTTTATSASISSNLNVNTTNQGPRSYFPNYNKSESIQSTLNQSHHNSKMIGSNYKFQNTSQILEQMNTSDVLPSLHNLSSLPPSSILSTPSMYNNLLQNDSFTSLSKTPLVMTTTVNQTFNSLLKEQNNGCSRTNRMACSDWKMVQQIEKHVFISFVTIYILAHAIFIFWLYFDASRRRREMTQKDKDYRAFLQRNRQWQNTEKQKDMHATKRPINQREFGSGTSL
					

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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	28.7	Very low	28.4	Very low	234 Å²	234	143.3 Å²	143.3	100%	1.153	75%	0.751	S	S	*	*				0	99.5	0	-79.6	170	155.8	0	0	106.8
2	S	28.2	Very low	28.1	Very low	94 Å²	94	147 Å²	147	66%	0.657	76%	0.757	S	S	*	*				64.8	94.2	86.3	65.8	0	0	0	0	111.1
3	N	26.7	Very low	27.9	Very low	135 Å²	135	152.5 Å²	152.5	72%	0.722	77%	0.765	S	S	*	*				-176.4	167.5	114	-94.2	-0.5	0	0	0	112
4	H	34.6	Very low	27.8	Very low	142 Å²	142	151.9 Å²	151.9	66%	0.657	76%	0.763	S	S	*	*			trans	68.4	105.2	166.6	-59.7	-56.1	0	0	0	115.8
5	Q	27.9	Very low	27.8	Very low	142 Å²	142	151.5 Å²	151.5	66%	0.664	76%	0.757	S	S	*	*				79.7	136.3	67.3	-81.1	-166.8	-51	0	0	111.2
6	W	25.2	Very low	27.7	Very low	212 Å²	212	149.7 Å²	149.7	80%	0.803	75%	0.751	S	S	*	*			cis	157.1	170.1	-7.4	-124.8	89.2	0	0	0	102.3
7	I	27.7	Very low	27.9	Very low	117 Å²	117	147.1 Å²	147.1	60%	0.6	75%	0.745	S	S	*	*			trans	66	115	152	-59.6	154.7	0	0	0	118.5
8	G	28	Very low	28.1	Very low	68 Å²	68	145.2 Å²	145.2	70%	0.701	74%	0.742	S	S	*	*			trans	86.9	171.9	131.3	0	0	0	0	0	116.9
9	N	27.3	Very low	28.2	Very low	134 Å²	134	144.8 Å²	144.8	72%	0.717	74%	0.742	S	S	*	*			cis	-153	153.2	-2.4	-109.3	-35.1	0	0	0	111.8
10	K	26.2	Very low	28.5	Very low	188 Å²	188	142.5 Å²	142.5	82%	0.817	74%	0.739	S	S	*	*			trans	-6.2	128.4	153.4	-59.7	168.3	176.9	178.2	0	118.8
11	S	31.5	Very low	28.8	Very low	110 Å²	110	141.7 Å²	141.7	77%	0.769	74%	0.74	S	S	*	*			trans	-167.3	123.4	136.3	50.4	0	0	0	0	107.3
12	F	24.8	Very low	28.8	Very low	188 Å²	188	138.2 Å²	138.2	83%	0.825	73%	0.726	S	S	*	*			cis	56	141.7	11.9	-95	-76.9	0	0	0	116.3
13	Y	26.3	Very low	29	Very low	218 Å²	218	138.1 Å²	138.1	86%	0.855	73%	0.725	S	S	*	*			trans	70.7	127	-159.8	-51.5	-71.3	0	0	0	111.5
14	I	26	Very low	29.3	Very low	145 Å²	145	139.1 Å²	139.1	74%	0.744	73%	0.73	S	S	*	*			cis	-153.9	144	8.6	-95	147.2	0	0	0	104.8
15	H	27.9	Very low	28.9	Very low	146 Å²	146	141.4 Å²	141.4	68%	0.676	74%	0.744	S	S	*	*			cis	-155	-176.7	4.1	-127.3	-138.6	0	0	0	110.6
16	D	27	Very low	29.1	Very low	122 Å²	122	140.3 Å²	140.3	65%	0.652	75%	0.747	S	S	*	*			trans	34.6	136	143.6	-58.3	-9.7	0	0	0	122.5
17	T	30.6	Very low	29.2	Very low	106 Å²	106	139.6 Å²	139.6	65%	0.65	75%	0.752	S	S	*	*			cis	-167.9	145.3	-3.8	17.5	0	0	0	0	108.3
18	T	30.7	Very low	29.2	Very low	113 Å²	113	137.5 Å²	137.5	69%	0.693	76%	0.76	S	S	*	*			trans	58.7	142	149.5	60.5	0	0	0	0	119.2
19	N	31.5	Very low	29.2	Very low	138 Å²	138	145.9 Å²	145.9	74%	0.738	77%	0.772	S	S	*	*			cis	-164.1	158	4.7	-114.3	-11.1	0	0	0	110.1
20	S	33.3	Very low	29.4	Very low	98 Å²	98	146.4 Å²	146.4	69%	0.685	77%	0.77	S	S	*	*			trans	31.6	132.9	142.6	72.8	0	0	0	0	120.3
21	T	35.8	Very low	29.7	Very low	125 Å²	125	142.8 Å²	142.8	77%	0.767	77%	0.766	S	S	*	*			cis	-156.7	131.1	23.3	43.2	0	0	0	0	107.8
22	L	28.5	Very low	29.7	Very low	162 Å²	162	144.9 Å²	144.9	85%	0.848	76%	0.761	S	S	*	*				67	141	70.8	-157	71.8	0	0	0	115.2
23	S	32.5	Very low	29.8	Very low	92 Å²	92	140.2 Å²	140.2	64%	0.643	75%	0.752	S	S	*	*			trans	66	86.3	167.1	66.4	0	0	0	0	119.2
24	N	31.7	Very low	30	Very low	155 Å²	155	136.6 Å²	136.6	83%	0.829	75%	0.747	S	S	*	*				172.2	115	91.5	-85.9	-15	0	0	0	112.3
25	M	27.4	Very low	30.3	Very low	191 Å²	191	140.9 Å²	140.9	94%	0.941	76%	0.756	S	S	*	*			trans	-116.6	105	163.9	-90.9	-174.9	167.2	0	0	108.3
26	T	31.9	Very low	30.3	Very low	118 Å²	118	140.8 Å²	140.8	72%	0.724	76%	0.76	S	S	*	*			trans	-166.2	134.8	159.9	15.4	0	0	0	0	110
27	E	27.2	Very low	30.7	Very low	197 Å²	197	141 Å²	141	92%	0.921	77%	0.766	S	S	*	*			trans	63.9	145.7	156.5	-58.1	179.3	154.2	0	0	119
28	G	28.1	Very low	30.7	Very low	74 Å²	74	144.5 Å²	144.5	76%	0.763	77%	0.772	S	S	*	*			trans	152	61.3	175.4	0	0	0	0	0	117	E30	G28-E30 PolarHBondContact O-N 2.77Å
29	Y	27.4	Very low	30.7	Very low	243 Å²	243	145.2 Å²	145.2	95%	0.953	77%	0.771	S	S	*	*			trans	-72.7	108.9	149.6	-108	-94.8	0	0	0	107.1
30	E	31.2	Very low	30.7	Very low	146 Å²	146	145.1 Å²	145.1	68%	0.682	78%	0.775	S	S	*	*			trans	-144.3	144.2	166	-80	-144	110.6	0	0	114.3	G28 F32	G28-E30 PolarHBondContact O-N 2.77Å; E30-F32 HydrophobicContact CB-CD2 4.21Å; E30-F32 HydrophobicContact CB-CE2 3.66Å; E30-F32 HydrophobicContact CG-CE2 4.29Å; E30-F32 VanDerWaalsContact OE2-CE2 3.26Å; E30-F32 WeakPolarHBondContact OE2-CE2 3.49Å; E30-F32 WeakPolarHBondContact OE2-CZ 2.84Å
31	P	33.3	Very low	30.4	Very low	111 Å²	111	145.6 Å²	145.6	72%	0.721	78%	0.779	S	S	*	*			trans	-108.1	126.1	178.6	37.5	-28.3	0	0	0	113.9
32	F	30.9	Very low	30.2	Very low	155 Å²	155	149.2 Å²	149.2	68%	0.68	78%	0.784	S	S	*	*			trans	-142	135.7	177.4	-69.2	-74.4	0	0	0	110.1	E30	E30-F32 HydrophobicContact CB-CD2 4.21Å; E30-F32 HydrophobicContact CB-CE2 3.66Å; E30-F32 HydrophobicContact CG-CE2 4.29Å; E30-F32 VanDerWaalsContact OE2-CE2 3.26Å; E30-F32 WeakPolarHBondContact OE2-CE2 3.49Å; E30-F32 WeakPolarHBondContact OE2-CZ 2.84Å
33	S	27.3	Very low	30.2	Very low	89 Å²	89	146.4 Å²	146.4	62%	0.622	78%	0.777	S	S	*	*			cis	71.2	119.8	14.6	119.9	0	0	0	0	115.8
34	N	30.6	Very low	30.1	Very low	142 Å²	142	152.8 Å²	152.8	76%	0.759	79%	0.789	S	S	*	*			trans	71.1	95	176.8	-61.7	-19.2	0	0	0	118.6
35	Y	32.2	Very low	29.9	Very low	235 Å²	235	152.4 Å²	152.4	92%	0.922	79%	0.787	S	S	*	*			trans	-83.9	118.4	140.2	-105.1	-90.9	0	0	0	108.5
36	N	27.8	Very low	30.2	Very low	144 Å²	144	154.1 Å²	154.1	77%	0.77	79%	0.785	S	S	*	*			trans	-129.1	111.3	178.4	-135	-3.7	0	0	0	108.4
37	T	34.8	Very low	30.1	Very low	127 Å²	127	153.5 Å²	153.5	78%	0.779	79%	0.785	S	S	*	*			trans	-128.5	89.8	172.5	39.8	0	0	0	0	110.8
38	K	30.5	Very low	30.4	Very low	179 Å²	179	153.6 Å²	153.6	78%	0.778	78%	0.783	S	S	*	*				54.7	118.7	123.9	-81.5	-172.9	163.2	-176.2	0	120.3
39	I	30.1	Very low	31	Very low	128 Å²	128	155.6 Å²	155.6	66%	0.656	78%	0.782	S	S	*	*				71.3	100.2	128	-57.5	166.6	0	0	0	116.8
40	T	31.8	Very low	31.7	Very low	137 Å²	137	150.2 Å²	150.2	84%	0.84	78%	0.777	S	S	*	*				-173.7	151.4	93.7	3.4	0	0	0	0	111.2
41	S	27.4	Very low	32.1	Very low	108 Å²	108	152 Å²	152	76%	0.755	79%	0.785	S	S	*	*			trans	-82.1	144.8	175.6	47	0	0	0	0	113
42	K	31.7	Very low	32.6	Very low	201 Å²	201	152.1 Å²	152.1	87%	0.874	79%	0.786	S	S	*	*				-164.5	120.9	128.6	-108.8	169.3	-175.6	-179.3	0	110.8
43	S	28.7	Very low	33.7	Very low	102 Å²	102	150.5 Å²	150.5	71%	0.713	79%	0.791	S	S	*	*			trans	-75.8	142.7	174.9	46.4	0	0	0	0	111.5
44	Y	31	Very low	34.5	Very low	227 Å²	227	151.9 Å²	151.9	89%	0.89	80%	0.798	S	S	*	*			trans	-140.6	112.3	149.5	-96	-79.4	0	0	0	108.2
45	D	27.8	Very low	35.3	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	80%	0.798	S	S	*	*			trans	-64.1	142	163.6	-74.5	-63.7	0	0	0	109.7
46	Y	33.1	Very low	36.1	Very low	228 Å²	228	145.2 Å²	145.2	89%	0.894	79%	0.791	S	S	*	*			trans	-157.3	124	131.9	-111.4	-70.5	0	0	0	111.3
47	S	29.5	Very low	36.5	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	79%	0.794	S	S	*	*			trans	-71	126.4	-177.4	52.1	0	0	0	0	114.3
48	K	33	Very low	36.2	Very low	199 Å²	199	147 Å²	147	87%	0.865	80%	0.797	S	S	*	*			trans	-170	136.5	140.6	-114.5	172.7	-179	177.3	0	111.8
49	P	40.7	Very low	36.3	Very low	115 Å²	115	148.1 Å²	148.1	75%	0.747	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-79.6	140.9	174.5	32.1	-33.3	0	0	0	111.5
50	P	42.7	Very low	36.2	Very low	130 Å²	130	150.2 Å²	150.2	84%	0.844	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-72.3	132.6	171.8	-14.8	30	0	0	0	111.7
51	Q	38.7	Very low	36.2	Very low	183 Å²	183	152.3 Å²	152.3	86%	0.855	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71.6	156.1	174.2	-76.9	-178.8	-34.3	0	0	112.5
52	P	45.3	Very low	36.3	Very low	114 Å²	114	154.7 Å²	154.7	74%	0.74	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.8	148	173.3	30.6	-35.3	0	0	0	112.1
53	P	52.5	Low	36.3	Very low	121 Å²	121	153.6 Å²	153.6	79%	0.786	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.2	149.2	178.8	29.7	-34.8	0	0	0	112.7
54	P	44.9	Very low	36.2	Very low	119 Å²	119	154.4 Å²	154.4	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.8	157.6	-170.8	32.7	-36.9	0	0	0	114.3
55	P	47.4	Very low	36.2	Very low	118 Å²	118	150.4 Å²	150.4	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-81.2	150.8	176.3	33.7	-34.8	0	0	0	112.7
56	P	48.9	Very low	36.1	Very low	119 Å²	119	147 Å²	147	77%	0.773	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.9	150.4	174.7	31.3	-34.4	0	0	0	112.3
57	P	36.5	Very low	36	Very low	129 Å²	129	146.2 Å²	146.2	84%	0.838	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-78.5	150.2	-167.2	31	-36.3	0	0	0	114.5
58	Q	28.1	Very low	35.8	Very low	179 Å²	179	150 Å²	150	84%	0.836	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-92.7	145	163.4	-66.6	178	-10.1	0	0	110
59	Q	32.9	Very low	35.6	Very low	203 Å²	203	143.8 Å²	143.8	95%	0.949	79%	0.792	S	S	*	*			trans	-126.3	138.4	156.9	-83.7	-175.1	-26.8	0	0	109.3
60	Q	27.9	Very low	35.1	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	80%	0.797	S	S	*	*			trans	-101.6	148.4	-175.1	-61.6	164.7	-44.2	0	0	110.5
61	Q	32.2	Very low	34.7	Very low	180 Å²	180	146.9 Å²	146.9	84%	0.841	79%	0.794	S	S	*	*				-176.5	114.4	130	-100.8	162.5	-21	0	0	106.6
62	Q	29.4	Very low	34.2	Very low	159 Å²	159	143.9 Å²	143.9	74%	0.743	79%	0.79	S	S	*	*			cis	87.7	94.9	47.9	-169.4	-175.8	37.8	0	0	112.7
63	Q	30.9	Very low	33.2	Very low	178 Å²	178	149 Å²	149	83%	0.832	80%	0.795	S	S	*	*			trans	178.5	123.2	137.2	-95.6	169.8	-28.9	0	0	105.9
64	N	27.9	Very low	32.1	Very low	119 Å²	119	150.8 Å²	150.8	64%	0.636	80%	0.796	S	S	*	*				64.7	128.6	70	-74.1	54.9	0	0	0	111.2
65	D	29.5	Very low	31.3	Very low	143 Å²	143	150.3 Å²	150.3	77%	0.765	79%	0.791	S	S	*	*			cis	-147.1	175.9	9.3	-97.9	-44	0	0	0	113.3
66	A	27.2	Very low	30.4	Very low	75 Å²	75	153 Å²	153	62%	0.62	80%	0.798	S	S	*	*			trans	-33.6	153.2	177.3	0	0	0	0	0	118.4
67	F	29.1	Very low	29.4	Very low	211 Å²	211	151.7 Å²	151.7	93%	0.925	79%	0.791	S	S	*	*				-154.7	142.2	108	-115	-79.2	0	0	0	113
68	H	27	Very low	29.1	Very low	183 Å²	183	151.2 Å²	151.2	85%	0.847	79%	0.788	S	S	*	*			trans	-64.5	155.9	174.6	-92.3	-118.4	0	0	0	112.7
69	G	28.2	Very low	29	Very low	70 Å²	70	150.3 Å²	150.3	72%	0.722	78%	0.784	S	S	*	*			trans	174.1	64.4	167.6	0	0	0	0	0	119.2
70	N	30.1	Very low	28.7	Very low	157 Å²	157	146 Å²	146	84%	0.84	77%	0.767	S	S	*	*			trans	49.6	119.1	146.8	-60.5	-16.6	0	0	0	122.2
71	I	33.6	Very low	28.7	Very low	153 Å²	153	147.1 Å²	147.1	79%	0.785	77%	0.772	S	S	*	*			trans	-62.7	149.9	160.6	-58.5	155.3	0	0	0	110.4	R73	I71-R73 HydrophobicContact CG2-CG 4.35Å
72	P	29.3	Very low	28.4	Very low	120 Å²	120	148.8 Å²	148.8	78%	0.779	77%	0.771	S	S	*	*				-126	144.3	119.7	5.6	14.3	0	0	0	113.1
73	R	24.5	Very low	28.4	Very low	221 Å²	221	146.8 Å²	146.8	83%	0.834	77%	0.771	S	S	*	*			trans	-74.7	137.4	172.6	-67.4	171.5	171.1	175.4	-3.9	110.4	I71	I71-R73 HydrophobicContact CG2-CG 4.35Å
74	I	29.5	Very low	28.2	Very low	159 Å²	159	146 Å²	146	82%	0.815	77%	0.771	S	S	*	*			trans	-129	88.9	155.4	-56.4	176.7	0	0	0	104.6
75	V	26.6	Very low	28	Very low	109 Å²	109	150.2 Å²	150.2	66%	0.661	78%	0.778	S	S	*	*				53.5	76.2	84.7	-170	0	0	0	0	111.1
76	L	28.9	Very low	27.9	Very low	175 Å²	175	149.4 Å²	149.4	92%	0.916	77%	0.774	S	S	*	*			trans	-93.3	100.6	161.4	-92	157.6	0	0	0	108.2
77	S	27.9	Very low	27.9	Very low	90 Å²	90	152 Å²	152	63%	0.629	78%	0.777	S	S	*	*			trans	-72.5	133.5	-179.6	-56.9	0	0	0	0	111.7
78	P	29.8	Very low	27.7	Very low	119 Å²	119	150.2 Å²	150.2	77%	0.773	77%	0.772	S	S	*	*			trans	-87.9	113.1	174.4	33.1	-30.9	0	0	0	111.1
79	Q	26.7	Very low	27.7	Very low	160 Å²	160	146.9 Å²	146.9	75%	0.748	77%	0.766	S	S	*	*			trans	-151	144.7	171	-68.2	-72.7	-29	0	0	107.2
80	L	27.3	Very low	27.7	Very low	114 Å²	114	150.5 Å²	150.5	60%	0.597	77%	0.768	S	S	*	*			cis	-165.2	137.5	-21.9	-174.1	74.3	0	0	0	104.8	R82	L80-R82 HydrophobicContact CD2-CG 4.23Å; L80-R82 PolarHBondContact O-N 2.71Å
81	Q	27.1	Very low	27.4	Very low	195 Å²	195	150.2 Å²	150.2	91%	0.911	76%	0.761	S	S	*	*			trans	-64.3	120.5	166.1	-85.2	167.1	-68.4	0	0	109.3
82	R	26.6	Very low	27	Very low	215 Å²	215	149.7 Å²	149.7	81%	0.811	76%	0.755	S	S	*	*			trans	-127.6	120.2	153	-71.9	-167.6	179.8	-174	2.3	108.9	L80	L80-R82 HydrophobicContact CD2-CG 4.23Å; L80-R82 PolarHBondContact O-N 2.71Å
83	P	29.6	Very low	26.8	Very low	116 Å²	116	148.8 Å²	148.8	75%	0.753	75%	0.748	S	S	*	*			trans	-72	155.6	162.7	34.3	-33.4	0	0	0	108.4
84	I	25.4	Very low	26.8	Very low	162 Å²	162	146.8 Å²	146.8	83%	0.831	74%	0.741	S	S	*	*			trans	-170.8	119.1	140.2	-96.7	146.6	0	0	0	108.4
85	R	24.8	Very low	26.6	Very low	208 Å²	208	147.4 Å²	147.4	79%	0.785	74%	0.739	S	S	*	*			trans	-52.9	137.3	162.8	162.1	-163.7	-77.6	176	-10	110.1
86	N	27.2	Very low	26.4	Very low	126 Å²	126	148.1 Å²	148.1	67%	0.674	74%	0.735	S	S	*	*			trans	-159.6	124.5	134.5	-99.1	-14.5	0	0	0	111
87	D	27	Very low	26.1	Very low	129 Å²	129	145.4 Å²	145.4	69%	0.69	73%	0.73	S	S	*	*			trans	-73.5	144	176.2	-52.3	-83.4	0	0	0	111.4
88	Q	25.6	Very low	26	Very low	173 Å²	173	148 Å²	148	81%	0.808	73%	0.73	S	S	*	*			trans	-136.6	118.9	135.4	-87.2	-157	-24.1	0	0	109.6
89	P	26.5	Very low	25.7	Very low	113 Å²	113	149.2 Å²	149.2	73%	0.734	73%	0.726	S	S	*	*			trans	-87.4	124	172.5	33.4	-30.2	0	0	0	110.4
90	I	27.8	Very low	25.5	Very low	146 Å²	146	147 Å²	147	75%	0.749	73%	0.728	S	S	*	*			trans	-136.4	87.9	168.9	-55.8	175.4	0	0	0	103
91	H	24.8	Very low	25.4	Very low	152 Å²	152	151.3 Å²	151.3	70%	0.704	74%	0.738	S	S	*	*				59	123.7	59.5	-137.7	-85.4	0	0	0	112
92	E	24.6	Very low	25.2	Very low	141 Å²	141	146.6 Å²	146.6	66%	0.659	73%	0.726	S	S	*	*			trans	72.8	148.8	178.1	-39.3	-169.9	160.2	0	0	113.9
93	T	24.8	Very low	25.1	Very low	102 Å²	102	141.4 Å²	141.4	63%	0.626	72%	0.723	S	S	*	*			cis	-150	111.9	19.4	-36.6	0	0	0	0	112.7
94	Y	24.7	Very low	24.8	Very low	178 Å²	178	143.2 Å²	143.2	70%	0.698	73%	0.725	S	S	*	*			trans	64.8	166.6	141.7	-59	-176.5	0	0	0	118
95	F	24.8	Very low	24.9	Very low	172 Å²	172	144.2 Å²	144.2	75%	0.754	72%	0.724	S	S	*	*			cis	-150.6	158.5	-6.4	-112.6	-51.3	0	0	0	103.2
96	Q	23.7	Very low	25	Very low	124 Å²	124	139.2 Å²	139.2	58%	0.579	72%	0.717	S	S	*	*			cis	-160.1	131.7	24.4	-171.1	169.8	88.4	0	0	108.8	K98	Q96-K98 HydrophobicContact CG-CG 4.38Å; Q96-K98 PolarHBondContact O-N 2.77Å; Q96-K98 VanDerWaalsContact OE1-CE 3.27Å
97	S	22.8	Very low	24.9	Very low	118 Å²	118	141 Å²	141	83%	0.825	72%	0.721	S	S	*	*			trans	-75.8	118.9	167.4	46.3	0	0	0	0	110.2
98	K	24.6	Very low	24.9	Very low	144 Å²	144	143.2 Å²	143.2	63%	0.626	73%	0.732	S	S	*	*			trans	-140.6	110.6	165.6	-85.1	-173	179	151.6	0	113.1	Q96	Q96-K98 HydrophobicContact CG-CG 4.38Å; Q96-K98 PolarHBondContact O-N 2.77Å; Q96-K98 VanDerWaalsContact OE1-CE 3.27Å
99	Q	23.3	Very low	24.9	Very low	145 Å²	145	144.5 Å²	144.5	68%	0.678	73%	0.73	S	S	*	*			trans	52.3	97.4	132.4	-65.3	171	-32.3	0	0	117.3	Y101	Q99-Y101 HydrophobicContact CB-CD2 4.5Å; Q99-Y101 PolarHBondContact O-N 3.03Å; Q99-Y101 VanDerWaalsContact O-N 3.08Å
100	S	22	Very low	24.9	Very low	113 Å²	113	146.6 Å²	146.6	79%	0.79	73%	0.734	S	S	*	*				-3.3	97.7	126.4	56.3	0	0	0	0	115.5
101	Y	25.4	Very low	24.8	Very low	206 Å²	206	148.9 Å²	148.9	81%	0.808	74%	0.742	S	S	*	*			trans	-144.6	131.8	154.1	-91.3	-71.7	0	0	0	111.1	Q99	Q99-Y101 HydrophobicContact CB-CD2 4.5Å; Q99-Y101 PolarHBondContact O-N 3.03Å; Q99-Y101 VanDerWaalsContact O-N 3.08Å
102	S	22.9	Very low	24.9	Very low	96 Å²	96	147.1 Å²	147.1	67%	0.671	74%	0.742	S	S	*	*			trans	-59.1	150.8	168	48.4	0	0	0	0	112.7
103	S	25.2	Very low	25	Very low	106 Å²	106	147.5 Å²	147.5	74%	0.741	75%	0.748	S	S	*	*			trans	56.8	111.3	163.4	64.5	0	0	0	0	117.9
104	L	24.2	Very low	25.2	Very low	153 Å²	153	150.6 Å²	150.6	80%	0.801	76%	0.755	S	S	*	*			trans	-178.9	89.4	132.1	-100.8	161.7	0	0	0	111.3	V106	L104-V106 HydrophobicContact CD2-CB 4.26Å; L104-V106 HydrophobicContact CD2-CG2 4.34Å; L104-V106 PolarHBondContact O-N 2.87Å
105	F	26.5	Very low	25.5	Very low	183 Å²	183	149.5 Å²	149.5	80%	0.803	75%	0.754	S	S	*	*			trans	-83.2	55.5	169.4	-127.2	-80.8	0	0	0	111
106	V	25.9	Very low	25.5	Very low	104 Å²	104	146.9 Å²	146.9	63%	0.63	76%	0.757	S	S	*	*			trans	-143.1	92.4	177.2	-174.4	0	0	0	0	110.3	L104	L104-V106 HydrophobicContact CD2-CB 4.26Å; L104-V106 HydrophobicContact CD2-CG2 4.34Å; L104-V106 PolarHBondContact O-N 2.87Å
107	Q	25.9	Very low	25.8	Very low	163 Å²	163	147.6 Å²	147.6	76%	0.762	76%	0.764	S	S	*	*			trans	173.5	90.8	142	-96.7	163.5	-106.6	0	0	111.7
108	N	27	Very low	26.2	Very low	175 Å²	175	149.3 Å²	149.3	94%	0.936	76%	0.762	S	S	*	*	S	Bend	trans	-156.1	47.9	157	-106.4	-16.1	0	0	0	111.6
109	R	26.1	Very low	26.2	Very low	201 Å²	201	153.2 Å²	153.2	76%	0.758	77%	0.773	S	S	*	*			trans	-148.8	91.5	165.1	-92.9	-169.5	-179.7	-177.6	2.8	107.2	E689	R109-E689 IonicContact NH1-OE2 3.01Å; R109-E689 PolarHBondContact NH1-OE2 2.76Å
110	L	25.9	Very low	26.4	Very low	157 Å²	157	153.8 Å²	153.8	82%	0.822	78%	0.776	S	S	*	*			trans	-170.5	58.1	168.7	-109.1	162.5	0	0	0	111.9
111	E	26.7	Very low	26.7	Very low	194 Å²	194	156.3 Å²	156.3	91%	0.907	78%	0.775	S	S	*	*			trans	-115.6	59.9	163.4	-89.6	-161.4	141.7	0	0	110.7
112	T	26.5	Very low	26.8	Very low	115 Å²	115	153.2 Å²	153.2	71%	0.706	77%	0.772	S	S	*	*	S	Bend	trans	-158.1	155	156.8	34.8	0	0	0	0	109.8
113	D	26.1	Very low	27.3	Very low	148 Å²	148	153.5 Å²	153.5	79%	0.791	77%	0.772	S	S	*	*			trans	73.9	67.8	168.5	-59.6	-18.1	0	0	0	119.1
114	H	29.5	Very low	27.4	Very low	168 Å²	168	158.3 Å²	158.3	78%	0.778	78%	0.775	S	S	*	*			trans	-117.5	102.8	139.8	-103.2	8.4	0	0	0	114.5
115	K	29.6	Very low	27.6	Very low	155 Å²	155	157.4 Å²	157.4	67%	0.674	77%	0.77	S	S	*	*			trans	66.5	94.9	141.9	-64.5	168.6	-179.2	163.8	0	117.7	I117	K115-I117 PolarHBondContact O-N 3.3Å
116	S	25.4	Very low	27.5	Very low	117 Å²	117	155 Å²	155	82%	0.818	77%	0.765	S	S	*	*			trans	-52.3	121.9	133.3	53.5	0	0	0	0	111.3
117	I	29.7	Very low	27.5	Very low	139 Å²	139	156.8 Å²	156.8	71%	0.713	77%	0.766	S	S	*	*			trans	-171.4	128.6	156.5	-101.3	150.1	0	0	0	106.9	K115	K115-I117 PolarHBondContact O-N 3.3Å
118	I	31	Very low	27.7	Very low	154 Å²	154	156.8 Å²	156.8	79%	0.79	77%	0.77	S	S	*	*			trans	58.9	97.8	173.8	-55.5	156.1	0	0	0	113.5
119	R	24.9	Very low	27.7	Very low	225 Å²	225	155 Å²	155	85%	0.849	76%	0.756	S	S	*	*			cis	67.1	115.4	39.8	-133.6	-171.1	-159.1	-170.3	7.5	114.3
120	Q	27.3	Very low	27.5	Very low	158 Å²	158	149.8 Å²	149.8	74%	0.738	75%	0.75	S	S	*	*			trans	102.1	132.4	158.1	-62.9	-174.9	-38.6	0	0	119.7
121	Q	28.6	Very low	27.6	Very low	166 Å²	166	152 Å²	152	78%	0.776	75%	0.749	S	S	*	*			trans	70.2	137.9	153.5	-67.7	161.5	11.7	0	0	118.3
122	N	27.4	Very low	27.8	Very low	140 Å²	140	148.4 Å²	148.4	75%	0.749	74%	0.741	S	S	*	*			cis	-157.4	155	-19.3	-132.5	9.1	0	0	0	109
123	P	33.7	Very low	27.7	Very low	103 Å²	103	152.5 Å²	152.5	67%	0.669	75%	0.749	S	S	*	*			trans	-98.4	145.4	-172.9	36.6	-31.6	0	0	0	113
124	Y	27.4	Very low	27.8	Very low	207 Å²	207	150.6 Å²	150.6	81%	0.812	75%	0.747	S	S	*	*			trans	-145.7	116.5	163	-101.5	-88.5	0	0	0	112.4
125	I	29.2	Very low	27.7	Very low	134 Å²	134	147.7 Å²	147.7	69%	0.687	75%	0.745	S	S	*	*			trans	60.7	122.6	130.9	-69.1	-168.7	0	0	0	119.4
126	N	24.7	Very low	27.7	Very low	131 Å²	131	148 Å²	148	70%	0.701	75%	0.753	S	S	*	*			cis	97.5	136.2	47.4	-108.3	0.5	0	0	0	113.6
127	H	25.2	Very low	27.7	Very low	143 Å²	143	150.4 Å²	150.4	66%	0.662	75%	0.751	S	S	*	*			trans	62.3	139.5	179.5	-66.6	-95.8	0	0	0	114.5	Q129	H127-Q129 PolarHBondContact ND1-OE1 3.09Å; H127-Q129 VanDerWaalsContact ND1-OE1 3.11Å
128	I	30.7	Very low	27.9	Very low	162 Å²	162	152 Å²	152	83%	0.831	76%	0.76	S	S	*	*			cis	-145.8	124.9	48.1	-70.4	148.7	0	0	0	106.7
129	Q	25.2	Very low	27.7	Very low	137 Å²	137	152.6 Å²	152.6	64%	0.64	76%	0.761	S	S	*	*				75.7	120	51.9	-154.7	172	6.3	0	0	114.9	H127	H127-Q129 PolarHBondContact ND1-OE1 3.09Å; H127-Q129 VanDerWaalsContact ND1-OE1 3.11Å
130	S	23.8	Very low	28.4	Very low	92 Å²	92	146.6 Å²	146.6	64%	0.643	75%	0.751	S	S	*	*			trans	62.5	134.6	173.8	51.8	0	0	0	0	116.8
131	Y	27.4	Very low	28.6	Very low	203 Å²	203	147.4 Å²	147.4	80%	0.796	76%	0.755	S	S	*	*				-160.7	145	65.3	-101.8	-92.4	0	0	0	113.9
132	T	30	Very low	28.6	Very low	120 Å²	120	144 Å²	144	74%	0.736	75%	0.75	S	S	*	*			trans	43.8	126.9	150.8	50.6	0	0	0	0	121.5
133	K	24.9	Very low	28.7	Very low	201 Å²	201	144.6 Å²	144.6	87%	0.874	75%	0.751	S	S	*	*			cis	79.6	87.7	25.6	-159	-170.3	-177	-176.8	0	116.9
134	S	29.1	Very low	28.4	Very low	107 Å²	107	147.3 Å²	147.3	75%	0.748	76%	0.758	S	S	*	*			trans	-165.6	117.2	149.7	36.9	0	0	0	0	107.9
135	S	25.5	Very low	28.3	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	75%	0.749	S	S	*	*				62.5	115	81.8	-56.1	0	0	0	0	111.5
136	I	31.6	Very low	28	Very low	162 Å²	162	142.8 Å²	142.8	83%	0.831	75%	0.753	S	S	*	*				-152.7	146.5	83.2	-87.8	151.8	0	0	0	112.8
137	Q	25.3	Very low	28	Very low	167 Å²	167	142.4 Å²	142.4	78%	0.78	75%	0.751	S	S	*	*			trans	-44.9	156.4	168.2	-66	146.9	-63	0	0	114.2
138	I	32.8	Very low	27.9	Very low	174 Å²	174	145.8 Å²	145.8	89%	0.892	76%	0.758	S	S	*	*				-139	151.8	81.9	-81.5	152.5	0	0	0	111.4
139	M	27.4	Very low	27.7	Very low	165 Å²	165	144.5 Å²	144.5	81%	0.813	75%	0.752	S	S	*	*			trans	-120.9	-148.5	-173.5	-156.9	-162.8	-178	0	0	110.4
140	P	39.9	Very low	27.6	Very low	100 Å²	100	142.2 Å²	142.2	65%	0.649	75%	0.751	S	S	*	*				-110.4	-179.1	-127.9	42.5	-27.3	0	0	0	114.7
141	E	31.7	Very low	27.6	Very low	175 Å²	175	145.9 Å²	145.9	82%	0.818	76%	0.755	S	S	*	*			trans	-169.6	120.8	137.5	-100.1	173.7	-163.1	0	0	106.1
142	S	28.7	Very low	27.5	Very low	95 Å²	95	142.6 Å²	142.6	66%	0.664	75%	0.751	S	S	*	*				58.8	134.7	79.5	95.1	0	0	0	0	111.9
143	I	28.5	Very low	27.2	Very low	152 Å²	152	144.1 Å²	144.1	78%	0.779	75%	0.75	S	S	*	*				-147.3	130.4	50.2	-76.8	176.2	0	0	0	111.7
144	I	26.7	Very low	27.3	Very low	159 Å²	159	143.4 Å²	143.4	82%	0.815	74%	0.743	S	S	*	*			trans	-43.9	129.4	154.2	-64.1	154.1	0	0	0	112
145	S	25.3	Very low	27.1	Very low	88 Å²	88	146.3 Å²	146.3	62%	0.615	75%	0.745	S	S	*	*				-173.8	136	127.8	39.2	0	0	0	0	114.7
146	M	24.2	Very low	27.2	Very low	158 Å²	158	146.1 Å²	146.1	78%	0.778	74%	0.743	S	S	*	*			trans	58	102	140.6	-67.2	-154.4	-91.1	0	0	117.9
147	N	24.7	Very low	26.9	Very low	123 Å²	123	144.9 Å²	144.9	66%	0.658	74%	0.739	S	S	*	*				80.1	139.6	79.2	-94.7	-44.5	0	0	0	111.8
148	R	23.7	Very low	27.1	Very low	214 Å²	214	145.2 Å²	145.2	81%	0.808	75%	0.745	S	S	*	*			trans	70.1	146.4	147.6	-71	172.7	-175.3	-172	0.6	114.5
149	L	24.5	Very low	26.8	Very low	136 Å²	136	143.8 Å²	143.8	71%	0.712	74%	0.739	S	S	*	*			cis	-157.1	156.3	5.4	-112.2	152.9	0	0	0	108.4
150	C	24	Very low	27	Very low	89 Å²	89	141.8 Å²	141.8	60%	0.601	74%	0.738	S	S	*	*			trans	70.1	116	145.6	-78.5	0	0	0	0	119.3
151	K	24.5	Very low	26.3	Very low	168 Å²	168	141.9 Å²	141.9	73%	0.73	74%	0.74	S	S	*	*				76.5	106.9	78.7	-76.8	-173.7	-171.3	175.4	0	110.6
152	N	24	Very low	26.1	Very low	135 Å²	135	140.5 Å²	140.5	72%	0.722	74%	0.737	S	S	*	*				103.5	174.8	83.4	-78.8	0.1	0	0	0	109.2
153	Q	25	Very low	26	Very low	152 Å²	152	142.8 Å²	142.8	71%	0.71	74%	0.742	S	S	*	*			trans	73.3	123.3	162.9	-70.3	178.5	-32.4	0	0	114.7
154	Y	27.1	Very low	26	Very low	185 Å²	185	140.7 Å²	140.7	73%	0.725	74%	0.74	S	S	*	*			cis	-144.8	149.4	-4.1	-87.5	-81.2	0	0	0	105.7
155	Q	23.9	Very low	26	Very low	168 Å²	168	144 Å²	144	79%	0.785	74%	0.744	S	S	*	*			cis	61.1	84.5	36.6	-157.6	177.5	15.4	0	0	116.7
156	S	26.9	Very low	26.2	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	75%	0.752	S	S	*	*			trans	-168.1	110.2	148	46.2	0	0	0	0	107.9
157	N	25.9	Very low	26.4	Very low	137 Å²	137	145.2 Å²	145.2	73%	0.733	75%	0.75	S	S	*	*				63.9	114.6	82.7	-72.6	-8.7	0	0	0	113.5
158	L	29	Very low	26.6	Very low	173 Å²	173	146 Å²	146	91%	0.906	76%	0.76	S	S	*	*				-179.6	117.5	112.5	-93.1	155.7	0	0	0	112.4
159	N	28	Very low	26.8	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	76%	0.759	S	S	*	*			trans	-70.1	156.8	159.6	-81.7	-28.7	0	0	0	109.8
160	P	31.5	Very low	27.1	Very low	123 Å²	123	144.2 Å²	144.2	80%	0.799	77%	0.765	S	S	*	*				-136	145.8	78	30.4	-12.1	0	0	0	113.3
161	C	25.1	Very low	27.2	Very low	103 Å²	103	147 Å²	147	70%	0.696	77%	0.772	S	S	*	*			cis	78.8	143.6	37.7	-152.4	0	0	0	0	114.7
162	L	26.5	Very low	27.5	Very low	145 Å²	145	147.2 Å²	147.2	76%	0.759	78%	0.776	S	S	*	*			trans	79.7	141.8	177.2	-52	174.9	0	0	0	115.7
163	L	28.2	Very low	27.5	Very low	143 Å²	143	144.3 Å²	144.3	75%	0.749	77%	0.766	S	S	*	*			cis	-161.1	131.5	-2	-103.3	158.4	0	0	0	106
164	S	27.1	Very low	27.8	Very low	108 Å²	108	147 Å²	147	76%	0.755	77%	0.771	S	S	*	*				116.8	145.7	81.6	59.7	0	0	0	0	113.6
165	Y	28.2	Very low	27.9	Very low	228 Å²	228	145.5 Å²	145.5	89%	0.894	78%	0.775	S	S	*	*			trans	-74.2	157.3	175.9	-103.3	-117	0	0	0	113.3
166	E	28.6	Very low	28	Very low	167 Å²	167	147.4 Å²	147.4	78%	0.78	78%	0.775	S	S	*	*				-167.3	167.6	118.8	-129.2	165.1	176	0	0	113.7
167	S	27.9	Very low	28.1	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	78%	0.775	S	S	*	*			trans	-136.7	138.8	-176.2	98.7	0	0	0	0	112.6
168	T	29.4	Very low	28	Very low	141 Å²	141	145.8 Å²	145.8	87%	0.865	77%	0.771	S	S	*	*			trans	-144.8	133	163.3	44.9	0	0	0	0	111.7
169	K	27.6	Very low	28.1	Very low	184 Å²	184	143.1 Å²	143.1	80%	0.8	76%	0.762	S	S	*	*			trans	-73.7	170.3	166.4	-61.8	174.1	-179.9	172.3	0	110.2
170	P	30.2	Very low	28	Very low	127 Å²	127	143 Å²	143	83%	0.825	76%	0.762	S	S	*	*				-113.4	155.1	126.2	33.1	-32.7	0	0	0	112.4
171	I	25.8	Very low	27.8	Very low	148 Å²	148	142.9 Å²	142.9	76%	0.759	76%	0.759	S	S	*	*			trans	-103.4	118.7	174.8	-66.1	164.1	0	0	0	107.3
172	E	30.9	Very low	28	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	76%	0.755	S	S	*	*			trans	-135.3	103	149.7	-74.1	-174.1	135.9	0	0	105.1
173	S	25.4	Very low	28	Very low	73 Å²	73	139.1 Å²	139.1	51%	0.51	73%	0.731	S	S	.	*				42.8	106.7	86.5	71.3	0	0	0	0	112.6
174	Y	30.9	Very low	28.2	Very low	210 Å²	210	137.6 Å²	137.6	82%	0.824	73%	0.73	S	S	*	*				-166.7	140.2	117.5	-90	-62.2	0	0	0	111.2
175	L	29.1	Very low	28.2	Very low	153 Å²	153	139.1 Å²	139.1	80%	0.801	72%	0.723	S	S	*	*			trans	-17.5	143.7	179.5	-83.1	76.1	0	0	0	121.7
176	R	26.2	Very low	28.3	Very low	208 Å²	208	138 Å²	138	79%	0.785	72%	0.717	S	S	*	*			trans	-62.4	156.2	146.2	-73.8	-179.9	173.9	166.3	-0.5	110.8
177	P	28.7	Very low	28.3	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	71%	0.709	S	S	*	*				-129.9	139.6	107.7	31.8	-22.3	0	0	0	110.1
178	S	24.4	Very low	28.3	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	71%	0.711	S	S	*	*			cis	51.6	68.7	30.2	80.1	0	0	0	0	115.9
179	T	29.9	Very low	28.2	Very low	117 Å²	117	133.7 Å²	133.7	72%	0.718	70%	0.695	S	S	*	*			trans	-170.8	119.4	143	26.9	0	0	0	0	107.1
180	N	26.6	Very low	28.1	Very low	143 Å²	143	133.4 Å²	133.4	77%	0.765	70%	0.701	S	S	*	*				64.8	122.4	84	-77.2	-17.4	0	0	0	114.5
181	V	27.5	Very low	27.9	Very low	120 Å²	120	134.6 Å²	134.6	73%	0.727	70%	0.696	S	S	*	*			trans	81.4	159.7	133.7	173.3	0	0	0	0	118.1
182	L	29.1	Very low	28.2	Very low	119 Å²	119	134.9 Å²	134.9	62%	0.623	70%	0.697	S	S	*	*			trans	70.5	91.8	168.7	-108.1	67.7	0	0	0	120.5	K484	L182-K484 WeakPolarHBondContact O-CE 3.39Å; L182-K484 PolarHBondContact O-NZ 3.33Å
183	I	26.6	Very low	28.1	Very low	49 Å²	49	130.1 Å²	130.1	25%	0.251	68%	0.681	S	S	.	*				21.3	126.7	108.6	-29.1	161	0	0	0	116.7	K185 K484 N485	I183-K185 HydrophobicContact CG2-CB 3.45Å; I183-K185 VanDerWaalsContact CG2-CB 3.45Å; I183-K185 HydrophobicContact CG2-CD 4.03Å; I183-K185 HydrophobicContact CG2-CG 3.58Å; I183-K484 VanDerWaalsContact N-CD 3.34Å; I183-N485 WeakPolarHBondContact CD1-ND2 3.48Å; I183-N485 WeakPolarHBondContact CD1-OD1 3.39Å; I183-N485 WeakPolarHBondContact CG1-ND2 3.46Å; I183-N485 WeakPolarHBondContact CG1-OD1 3.44Å
184	P	32.7	Very low	28.2	Very low	111 Å²	111	130.9 Å²	130.9	72%	0.721	68%	0.68	S	S	*	*				-114.5	139	95.2	-4.1	23.8	0	0	0	109.7
185	K	27	Very low	28	Very low	140 Å²	140	127 Å²	127	61%	0.609	67%	0.669	S	S	*	*			cis	34.3	118.7	27.6	-73.4	-173	176.5	175.9	0	112.3	I183	I183-K185 HydrophobicContact CG2-CB 3.45Å; I183-K185 VanDerWaalsContact CG2-CB 3.45Å; I183-K185 HydrophobicContact CG2-CD 4.03Å; I183-K185 HydrophobicContact CG2-CG 3.58Å
186	R	29.3	Very low	28.1	Very low	204 Å²	204	129.6 Å²	129.6	77%	0.77	67%	0.669	S	S	*	*			cis	-175	142	43.8	-135.7	175.7	177.4	147.7	-5.2	109.2
187	T	28.3	Very low	28	Very low	102 Å²	102	127.2 Å²	127.2	63%	0.626	67%	0.671	S	S	*	*			trans	51.9	170.3	131.1	56.2	0	0	0	0	120.4
188	L	28	Very low	28.1	Very low	146 Å²	146	129.9 Å²	129.9	76%	0.764	68%	0.678	S	S	*	*			cis	-124	143.4	3.3	-86.3	89.1	0	0	0	108
189	S	27.2	Very low	28.1	Very low	75 Å²	75	131.5 Å²	131.5	52%	0.524	68%	0.679	S	S	.	*				65.2	121	63.2	-47.5	0	0	0	0	114.1
190	L	27.1	Very low	28.2	Very low	179 Å²	179	132.2 Å²	132.2	94%	0.937	68%	0.684	S	S	*	*			trans	-128.4	107.6	134.3	-139.3	93.9	0	0	0	108.1
191	E	26.3	Very low	28.2	Very low	152 Å²	152	132.2 Å²	132.2	71%	0.71	68%	0.684	S	S	*	*			trans	-76.2	165.8	171.2	-64.4	157.6	117.6	0	0	110
192	I	30.4	Very low	28.3	Very low	154 Å²	154	135.6 Å²	135.6	79%	0.79	69%	0.688	S	S	*	*				171.3	144.3	123.4	-87.8	158.7	0	0	0	109.5
193	P	29.2	Very low	28.3	Very low	73 Å²	73	137 Å²	137	47%	0.474	70%	0.695	S	S	.	*				-129.9	-165.3	-128.7	43.9	-31.2	0	0	0	116.2	T463	P193-T463 PolarHBondContact O-OG1 3.41Å
194	N	27.6	Very low	28.6	Very low	89 Å²	89	142.3 Å²	142.3	48%	0.476	72%	0.721	S	S	.	*			trans	80.3	125.6	142.8	-72.9	-7.1	0	0	0	123.5	T463	N194-T463 PolarHBondContact N-O 3.36Å
195	H	27.7	Very low	28.4	Very low	128 Å²	128	143.7 Å²	143.7	59%	0.593	72%	0.722	S	S	*	*			trans	67.7	121.3	140.8	-75.2	-123.6	0	0	0	119.7	S462	H195-S462 WeakPolarHBondContact O-CB 3.4Å; H195-S462 PolarHBondContact O-OG 3Å
196	Y	29.4	Very low	28.9	Very low	208 Å²	208	142.7 Å²	142.7	82%	0.816	73%	0.73	S	S	*	*				-168.9	146	98.5	-98.7	-72.1	0	0	0	112.2
197	L	25.4	Very low	29.3	Very low	157 Å²	157	138.8 Å²	138.8	82%	0.822	73%	0.731	S	S	*	*			trans	-65.1	147.9	159.1	-100.5	72.4	0	0	0	109.7
198	I	29.5	Very low	29.6	Very low	169 Å²	169	139 Å²	139	87%	0.867	73%	0.734	S	S	*	*				-170.9	146.3	122	-95.5	152.4	0	0	0	111
199	N	25.7	Very low	29.8	Very low	126 Å²	126	137.2 Å²	137.2	67%	0.674	73%	0.731	S	S	*	*			trans	-86.6	135	-175	168.9	18.3	0	0	0	112.3
200	T	31.1	Very low	30.2	Very low	133 Å²	133	139.4 Å²	139.4	82%	0.816	74%	0.743	S	S	*	*			trans	-146.3	116	151.9	53	0	0	0	0	113.3
201	N	26.5	Very low	30.4	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	74%	0.742	S	S	*	*			trans	-71.3	133.8	158.1	-68	-46.5	0	0	0	111.2
202	K	30.4	Very low	30.5	Very low	190 Å²	190	146.1 Å²	146.1	83%	0.826	75%	0.75	S	S	*	*			trans	174.3	104.6	146.8	-101.2	164.7	178.9	-175.9	0	109.1
203	I	28.9	Very low	30.3	Very low	148 Å²	148	145 Å²	145	76%	0.759	75%	0.75	S	S	*	*				90.8	133.5	82.6	-79.5	173.6	0	0	0	112.7
204	M	32.2	Very low	30.3	Very low	162 Å²	162	149.8 Å²	149.8	80%	0.798	77%	0.77	S	S	*	*			trans	75.8	128.2	-179.5	-62.5	155.9	73.7	0	0	117.4
205	N	30.1	Very low	30.2	Very low	140 Å²	140	150.5 Å²	150.5	75%	0.749	78%	0.782	S	S	*	*			cis	-162.9	127.5	-15.3	-96.9	-19.5	0	0	0	108.6
206	P	37.6	Very low	30.4	Very low	119 Å²	119	150.3 Å²	150.3	77%	0.773	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-101.9	148.8	166.2	35.4	-29.2	0	0	0	112.8
207	P	37.3	Very low	30.3	Very low	122 Å²	122	148.2 Å²	148.2	79%	0.792	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.7	163.6	176.2	30.9	-34.5	0	0	0	112.9
208	P	34.1	Very low	30.3	Very low	105 Å²	105	149.8 Å²	149.8	68%	0.682	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-89.8	156.1	-149.8	34	-37.6	0	0	0	116.2
209	P	31.6	Very low	30	Very low	110 Å²	110	147.4 Å²	147.4	71%	0.714	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-93.2	139.3	169.1	35.5	-31.3	0	0	0	112.6
210	P	37.1	Very low	29.9	Very low	120 Å²	120	146.2 Å²	146.2	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-73.2	143.1	165.4	-14.9	30.6	0	0	0	111.6
211	R	30.8	Very low	29.7	Very low	243 Å²	243	148 Å²	148	92%	0.917	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-91.5	164	-165	-64.5	-179.6	-177.9	-165.7	0.8	115
212	R	27.6	Very low	29.6	Very low	230 Å²	230	147.7 Å²	147.7	87%	0.868	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.6	155.1	169.2	-72.6	177.7	171.9	170.3	-3.1	113.4
213	T	27.1	Very low	29.3	Very low	130 Å²	130	147.5 Å²	147.5	80%	0.798	79%	0.793	S	S	*	*			trans	61.9	121.6	145.9	51	0	0	0	0	122
214	I	28.4	Very low	29.1	Very low	174 Å²	174	146.3 Å²	146.3	89%	0.892	79%	0.789	S	S	*	*				-136.6	147.4	126.1	-61.9	-171.8	0	0	0	108.8
215	S	26.4	Very low	28.9	Very low	103 Å²	103	146.7 Å²	146.7	72%	0.72	79%	0.788	S	S	*	*			trans	-91.3	-178.5	-175.9	60.4	0	0	0	0	113.2
216	P	31.6	Very low	28.6	Very low	124 Å²	124	145.6 Å²	145.6	81%	0.805	78%	0.782	S	S	*	*			trans	-85	152.2	-150.3	34.4	-37.8	0	0	0	116
217	I	27.8	Very low	28	Very low	164 Å²	164	145.8 Å²	145.8	84%	0.841	78%	0.776	S	S	*	*			trans	-101.9	130	163.4	-66.1	179.3	0	0	0	110.2
218	K	23.7	Very low	27.5	Very low	191 Å²	191	145.8 Å²	145.8	83%	0.83	77%	0.77	S	S	*	*			trans	-98.7	109.2	-176.8	-175.2	-176	-171	179.7	0	108.7
219	C	24.6	Very low	27	Very low	118 Å²	118	146.6 Å²	146.6	80%	0.797	77%	0.769	S	S	*	*			trans	-123	100.6	166.8	-89.8	0	0	0	0	110
220	C	23.5	Very low	26.7	Very low	102 Å²	102	146.3 Å²	146.3	69%	0.689	76%	0.761	S	S	*	*			trans	-79	121.1	160.9	-58.9	0	0	0	0	107.6
221	I	26.7	Very low	26.2	Very low	170 Å²	170	145.7 Å²	145.7	87%	0.872	75%	0.751	S	S	*	*			trans	-102.3	118.5	151.8	-63.2	179.8	0	0	0	105.4
222	L	23.5	Very low	25.9	Very low	136 Å²	136	138.3 Å²	138.3	71%	0.712	73%	0.727	S	S	*	*			trans	-134	97.5	-171.2	-162.4	175	0	0	0	106.1
223	E	25.6	Very low	26	Very low	187 Å²	187	132.4 Å²	132.4	87%	0.874	71%	0.709	S	S	*	*			trans	-130.7	90.6	168.5	-115.3	171.6	-170.5	0	0	109
224	N	24.1	Very low	26.1	Very low	123 Å²	123	131.3 Å²	131.3	66%	0.658	70%	0.695	S	S	*	*			trans	-64.4	139.6	148.8	-77.9	-28.3	0	0	0	107.6
225	H	27	Very low	26.4	Very low	170 Å²	170	125.5 Å²	125.5	79%	0.787	67%	0.669	S	S	*	*				-166.3	106.3	124	-94.6	-58.3	0	0	0	107.1
226	N	25	Very low	26.4	Very low	117 Å²	117	125.1 Å²	125.1	63%	0.626	66%	0.659	S	S	*	*				82.3	115.4	87	-96.2	9.8	0	0	0	113.4
227	N	25.3	Very low	26.2	Very low	122 Å²	122	124.5 Å²	124.5	65%	0.652	65%	0.648	S	S	*	*				78	118.4	129.6	-69.5	4.8	0	0	0	120.1
228	N	25.4	Very low	26.3	Very low	122 Å²	122	126.8 Å²	126.8	65%	0.652	65%	0.646	S	S	*	*				100.3	100.6	127	-68.3	5.6	0	0	0	118.2
229	N	25.1	Very low	26.4	Very low	123 Å²	123	124.3 Å²	124.3	66%	0.658	64%	0.642	S	S	*	*				99.8	121.4	110.6	-72.8	4.6	0	0	0	118.7
230	N	24.5	Very low	26.5	Very low	103 Å²	103	125.5 Å²	125.5	55%	0.551	64%	0.638	S	S	*	*			trans	80.5	101.4	135.5	-60.1	4.5	0	0	0	117.7
231	N	26.7	Very low	26.7	Very low	108 Å²	108	123.6 Å²	123.6	58%	0.578	64%	0.637	S	S	*	*				71.2	156.5	119.6	-55.5	-10	0	0	0	118.8	L369	N231-L369 PolarHBondContact ND2-O 3.22Å
232	E	25.3	Very low	26.7	Very low	88 Å²	88	120.9 Å²	120.9	41%	0.411	63%	0.632	S	S	.	*			trans	114	115.9	149.2	-51.4	-146.4	138.5	0	0	115.6	N368 L369 M370	E232-N368 WeakPolarHBondContact CA-OD1 3.37Å; E232-N368 VanDerWaalsContact CB-CG 3.46Å; E232-N368 WeakPolarHBondContact CB-OD1 3.46Å; E232-N368 HydrophobicContact CG-CB 4.03Å; E232-N368 VanDerWaalsContact CG-CG 3.46Å; E232-N368 WeakPolarHBondContact CG-OD1 3.35Å; E232-N368 WeakPolarHBondContact OE1-CA 3.47Å; E232-N368 WeakPolarHBondContact OE1-CB 3.36Å; E232-N368 VanDerWaalsContact OE1-CG 3.3Å; E232-N368 PolarHBondContact OE1-ND2 3.46Å; E232-N368 PolarHBondContact OE2-ND2 3Å; E232-L369 WeakPolarHBondContact OE1-CA 3.3Å; E232-L369 PolarHBondContact OE1-N 2.87Å; E232-M370 PolarHBondContact OE1-N 3.11Å
233	E	28.4	Very low	27	Very low	106 Å²	106	119.8 Å²	119.8	50%	0.495	64%	0.636	S	S	.	*			trans	-107.5	-150.2	-168.9	-35	108.7	106.1	0	0	112.9	Q366 S367 N368	E233-Q366 HydrophobicContact CB-CB 3.8Å; E233-Q366 HydrophobicContact CB-CG 3.77Å; E233-Q366 HydrophobicContact CG-CG 4.43Å; E233-Q366 PolarHBondContact O-NE2 3.15Å; E233-Q366 WeakPolarHBondContact OE1-CA 3.5Å; E233-Q366 VanDerWaalsContact OE2-CG 3.24Å; E233-Q366 WeakPolarHBondContact OE2-CG 3.45Å; E233-S367 VanDerWaalsContact CD-N 3.3Å; E233-S367 PolarHBondContact OE1-N 3.17Å; E233-S367 VanDerWaalsContact OE1-N 3.08Å; E233-S367 PolarHBondContact OE2-N 2.9Å; E233-N368 PolarHBondContact N-OD1 2.87Å; E233-N368 PolarHBondContact OE2-N 3.08Å; E233-N368 PolarHBondContact OE2-OD1 3.28Å
234	E	28.8	Very low	27	Very low	106 Å²	106	116.5 Å²	116.5	50%	0.495	63%	0.634	S	S	.	*			trans	96	159.5	173.1	-112.5	163.9	-149	0	0	116.8	Q366	E234-Q366 HydrophobicContact CB-CB 3.42Å; E234-Q366 VanDerWaalsContact CB-CB 3.42Å; E234-Q366 HydrophobicContact CB-CG 3.78Å; E234-Q366 VanDerWaalsContact CD-CB 3.45Å; E234-Q366 VanDerWaalsContact CD-OE1 3.29Å; E234-Q366 HydrophobicContact CG-CB 3.18Å; E234-Q366 HydrophobicContact CG-CG 3.94Å; E234-Q366 WeakPolarHBondContact OE1-CB 3.4Å; E234-Q366 PolarHBondContact OE1-OE1 3.37Å; E234-Q366 VanDerWaalsContact OE2-CD 3.25Å; E234-Q366 PolarHBondContact OE2-NE2 3.42Å; E234-Q366 PolarHBondContact OE2-OE1 3.39Å
235	P	35.2	Very low	27.3	Very low	53 Å²	53	113.8 Å²	113.8	34%	0.344	64%	0.635	S	S	.	*				-164.5	-142.5	-108.3	41.3	-11.6	0	0	0	116.3	K364 S365	P235-K364 HydrophobicContact CB-CB 3.74Å; P235-K364 VanDerWaalsContact CB-O 3.23Å; P235-K364 WeakPolarHBondContact CB-O 3.43Å; P235-S365 VanDerWaalsContact CG-CB 3.48Å
236	D	26.7	Very low	27.3	Very low	94 Å²	94	115 Å²	115	50%	0.503	64%	0.638	S	S	.	*				90.6	151.7	127.3	-107.5	9.2	0	0	0	123.3
237	I	27.7	Very low	27.3	Very low	112 Å²	112	115.3 Å²	115.3	57%	0.574	64%	0.64	S	S	*	*			trans	52.9	136.4	167	-7.3	91.4	0	0	0	116
238	W	29.5	Very low	27.5	Very low	211 Å²	211	117 Å²	117	80%	0.799	64%	0.644	S	S	*	*			cis	-140.3	145.5	17.2	-63.7	66.5	0	0	0	109.3	I240	W238-I240 HydrophobicContact CE3-CD1 4.29Å; W238-I240 HydrophobicContact CZ3-CD1 4.46Å
239	N	26.4	Very low	27.5	Very low	140 Å²	140	116.8 Å²	116.8	75%	0.749	65%	0.652	S	S	*	*			cis	90.3	148.2	32.5	-150.9	5.5	0	0	0	115
240	I	26.1	Very low	27.6	Very low	142 Å²	142	117.8 Å²	117.8	73%	0.728	66%	0.656	S	S	*	*			trans	91.9	122.9	170.1	-49.5	175.8	0	0	0	119.2	W238	W238-I240 HydrophobicContact CE3-CD1 4.29Å; W238-I240 HydrophobicContact CZ3-CD1 4.46Å
241	G	28.4	Very low	27.5	Very low	63 Å²	63	119 Å²	119	65%	0.649	67%	0.667	S	S	*	*			trans	111.6	60.8	153.2	0	0	0	0	0	117.8
242	S	25.8	Very low	27.4	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	67%	0.674	S	S	*	*				68.4	143.2	67.3	83.5	0	0	0	0	117.3
243	S	29.2	Very low	27.3	Very low	113 Å²	113	128 Å²	128	79%	0.79	69%	0.694	S	S	*	*			trans	77.5	143.8	178.2	80.8	0	0	0	0	117.6
244	S	26.9	Very low	27.2	Very low	119 Å²	119	131.8 Å²	131.8	83%	0.832	71%	0.711	S	S	*	*			cis	165.8	141.1	-38.3	47.9	0	0	0	0	107.5
245	G	29.8	Very low	27	Very low	65 Å²	65	138.5 Å²	138.5	67%	0.67	73%	0.732	S	S	*	*			trans	137.8	102.7	-175.5	0	0	0	0	0	108.7
246	F	26.9	Very low	26.5	Very low	196 Å²	196	146.9 Å²	146.9	86%	0.86	76%	0.756	S	S	*	*				47.9	126.9	59.2	-74	-84.7	0	0	0	111.2
247	D	25.6	Very low	26.4	Very low	124 Å²	124	147.7 Å²	147.7	66%	0.663	77%	0.77	S	S	*	*			cis	-161.8	-179.5	20.3	-150.3	-10	0	0	0	113.9
248	Q	28.8	Very low	26.2	Very low	158 Å²	158	153.7 Å²	153.7	74%	0.738	79%	0.785	S	S	*	*			trans	83.7	109	152.8	-72.2	168.2	26.4	0	0	121
249	S	25.1	Very low	26	Very low	116 Å²	116	150.7 Å²	150.7	81%	0.811	79%	0.79	S	S	*	*			trans	-72.8	145	154.2	49.5	0	0	0	0	112.1
250	I	27.2	Very low	25.9	Very low	145 Å²	145	149.1 Å²	149.1	74%	0.744	79%	0.79	S	S	*	*			trans	-134.8	123.7	157.8	-65.7	-175.3	0	0	0	110.3	F252	I250-F252 HydrophobicContact CG2-CD2 3.83Å; I250-F252 HydrophobicContact CG2-CE2 4.32Å
251	T	23.4	Very low	25.8	Very low	127 Å²	127	153.9 Å²	153.9	78%	0.779	80%	0.799	S	S	*	*			trans	-85.7	126.1	167.3	38.2	0	0	0	0	110.8
252	F	25.3	Very low	25.7	Very low	169 Å²	169	156.5 Å²	156.5	74%	0.741	81%	0.807	S	S	*	*			trans	-149.4	104.9	152.8	-92.8	-83	0	0	0	109.3	I250	I250-F252 HydrophobicContact CG2-CD2 3.83Å; I250-F252 HydrophobicContact CG2-CE2 4.32Å
253	R	23.2	Very low	25.6	Very low	218 Å²	218	156.6 Å²	156.6	82%	0.823	81%	0.808	S	S	*	*				89.6	113.1	71.8	-165.2	-176.6	-148.2	179.1	12.4	112.2	R255	R253-R255 PolarHBondContact O-N 3.28Å
254	H	26.2	Very low	25.5	Very low	185 Å²	185	160 Å²	160	86%	0.856	81%	0.808	S	S	*	*			trans	-42.3	132.5	162.4	-105.6	-65.2	0	0	0	112.6
255	R	24.4	Very low	25.5	Very low	247 Å²	247	164.6 Å²	164.6	93%	0.932	81%	0.809	S	S	*	*			trans	-148.1	144.9	143.7	-127.2	178.7	-175.7	-167.4	0.6	112.2	R253	R253-R255 PolarHBondContact O-N 3.28Å
256	R	23.2	Very low	25.3	Very low	228 Å²	228	169.1 Å²	169.1	86%	0.86	82%	0.818	S	S	*	*			trans	-81.2	166.3	-169.9	-72.4	173.2	165.8	165.1	-6.1	113.6
257	S	24.7	Very low	25.2	Very low	112 Å²	112	168.7 Å²	168.7	78%	0.783	82%	0.819	S	S	*	*			trans	78.1	143.7	159.2	83.2	0	0	0	0	115.6
258	R	23.9	Very low	25.3	Very low	237 Å²	237	170 Å²	170	89%	0.894	82%	0.819	S	S	*	*			cis	-120.8	142.7	22.7	-68.5	172.8	178.7	165.2	-0.6	114.8
259	V	25.1	Very low	25.4	Very low	148 Å²	148	171.1 Å²	171.1	90%	0.897	82%	0.817	S	S	*	*			trans	-77.4	134.4	160.9	171.4	0	0	0	0	108.7
260	S	25.1	Very low	25.4	Very low	107 Å²	107	175.9 Å²	175.9	75%	0.748	82%	0.823	S	S	*	*			trans	-148.1	105.1	163.3	55.8	0	0	0	0	111.5
261	R	23.5	Very low	25.4	Very low	242 Å²	242	176 Å²	176	91%	0.913	82%	0.824	S	S	*	*			trans	33.3	117.1	149.3	-65.5	171.8	168.6	169.7	-5.8	116.3
262	S	26.4	Very low	25.6	Very low	118 Å²	118	177.1 Å²	177.1	83%	0.825	83%	0.825	S	S	*	*				-156.7	114.5	75.2	31.2	0	0	0	0	112.8
263	S	24	Very low	25.8	Very low	114 Å²	114	176.4 Å²	176.4	80%	0.797	83%	0.829	S	S	*	*			trans	-88.3	116.7	161.6	55.9	0	0	0	0	108.8
264	F	26.4	Very low	26	Very low	184 Å²	184	175.4 Å²	175.4	81%	0.807	83%	0.831	S	S	*	*			trans	-147.3	143.1	163.9	-109.9	-81.3	0	0	0	110
265	Y	26.8	Very low	26.1	Very low	217 Å²	217	170.9 Å²	170.9	85%	0.851	82%	0.82	S	S	*	*			trans	70.2	75.5	-178.9	-65.1	-80.1	0	0	0	117.6
266	D	25.9	Very low	26.3	Very low	159 Å²	159	168.4 Å²	168.4	85%	0.85	82%	0.816	S	S	*	*				-141.5	97.8	116.1	-156.8	-1.5	0	0	0	111.1
267	Q	25.8	Very low	26.7	Very low	187 Å²	187	164.6 Å²	164.6	87%	0.874	81%	0.808	S	S	*	*			trans	-158.9	70.4	173.5	-151.1	174.4	27.4	0	0	112.8
268	K	27.8	Very low	27	Very low	153 Å²	153	167 Å²	167	67%	0.665	81%	0.806	S	S	*	*			trans	-166.7	122.2	164	-112.7	179.1	175	-163.1	0	108.6
269	Y	29.3	Very low	27.3	Very low	180 Å²	180	158.6 Å²	158.6	71%	0.706	79%	0.793	S	S	*	*			cis	-142.8	137	13.2	-70.7	-101.9	0	0	0	110.9
270	K	26.7	Very low	27.6	Very low	216 Å²	216	158.6 Å²	158.6	94%	0.939	79%	0.788	S	S	*	*			trans	-138.3	94.5	157.2	-150.3	177.3	-172.8	-177.5	0	107.4
271	L	26.5	Very low	27.8	Very low	147 Å²	147	160.4 Å²	160.4	77%	0.77	79%	0.786	S	S	*	*			trans	-141.2	151.7	179.3	-94.9	169.7	0	0	0	108.3
272	L	27.4	Very low	27.9	Very low	152 Å²	152	154.6 Å²	154.6	80%	0.796	77%	0.774	S	S	*	*			trans	70.1	129.3	-161.1	-69.5	74.8	0	0	0	112.5
273	N	29.8	Very low	28.2	Very low	154 Å²	154	154.4 Å²	154.4	82%	0.824	77%	0.767	S	S	*	*			cis	-139.4	149.2	3.4	-92.7	-26.9	0	0	0	111.2
274	K	27.6	Very low	28.4	Very low	197 Å²	197	155.2 Å²	155.2	86%	0.857	76%	0.761	S	S	*	*			trans	-126.2	112.6	175.3	-154.6	-174.5	-178.2	-178.2	0	111.4
275	S	27.1	Very low	28.4	Very low	90 Å²	90	153.6 Å²	153.6	63%	0.629	76%	0.761	S	S	*	*			trans	39.7	131.9	150.1	66.4	0	0	0	0	122.9
276	K	30	Very low	28.5	Very low	194 Å²	194	148.1 Å²	148.1	84%	0.843	76%	0.755	S	S	*	*			trans	-145.9	117.9	132.4	-101.4	167.4	178.7	-176	0	107
277	H	30.3	Very low	28.6	Very low	149 Å²	149	149.4 Å²	149.4	69%	0.69	76%	0.755	S	S	*	*				64.9	136.5	92.4	-73	-75.7	0	0	0	112.8
278	H	32.1	Very low	28.6	Very low	161 Å²	161	147 Å²	147	75%	0.745	76%	0.758	S	S	*	*			cis	-166.7	148.3	12.9	-130.2	-61.8	0	0	0	112.3
279	G	29.5	Very low	28.6	Very low	61 Å²	61	143.5 Å²	143.5	63%	0.629	77%	0.765	S	S	*	*			trans	60.9	160.8	151.8	0	0	0	0	0	121.2
280	D	30.5	Very low	28.4	Very low	148 Å²	148	140.5 Å²	140.5	79%	0.791	77%	0.77	S	S	*	*			cis	-166	146.2	-15.5	-100.4	-38.8	0	0	0	112
281	M	29.4	Very low	28.5	Very low	145 Å²	145	138.8 Å²	138.8	71%	0.714	77%	0.77	S	S	*	*			trans	66.4	113.3	149.9	-71.7	-157.7	177.7	0	0	124.6
282	N	27.3	Very low	28.5	Very low	120 Å²	120	139 Å²	139	64%	0.642	77%	0.771	S	S	*	*				117.8	132.9	102.7	-90.4	-8.4	0	0	0	121.6
283	V	31	Very low	28.6	Very low	114 Å²	114	137.3 Å²	137.3	69%	0.691	77%	0.772	S	S	*	*			trans	110.7	96.4	134	159.5	0	0	0	0	121.9
284	I	28.6	Very low	28.7	Very low	132 Å²	132	134.6 Å²	134.6	68%	0.677	76%	0.761	S	S	*	*				84	123.2	127	-64.5	-178.1	0	0	0	122.8
285	N	27.5	Very low	28.9	Very low	150 Å²	150	132.4 Å²	132.4	80%	0.802	76%	0.759	S	S	*	*			trans	65.4	145.8	155.5	-66.2	-7.4	0	0	0	119.7
286	S	27.9	Very low	29	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	77%	0.77	S	S	*	*			cis	-163.1	176.9	-4.9	43.4	0	0	0	0	111.2
287	E	29.2	Very low	29.1	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.864	77%	0.768	S	S	*	*			trans	88.2	84.8	165.8	-54.4	-163.2	144.6	0	0	120.4
288	C	24.1	Very low	29	Very low	138 Å²	138	135.1 Å²	135.1	93%	0.932	78%	0.775	S	S	*	*				36.4	118	119.5	-155.8	0	0	0	0	120.8
289	G	28.5	Very low	28.8	Very low	78 Å²	78	133.2 Å²	133.2	80%	0.804	77%	0.774	S	S	*	*			trans	173.5	81.6	166.9	0	0	0	0	0	114
290	S	25.4	Very low	28.8	Very low	118 Å²	118	135.5 Å²	135.5	83%	0.825	78%	0.781	S	S	*	*			trans	-73.1	132.3	-178.1	55	0	0	0	0	113.8
291	L	29.1	Very low	28.7	Very low	179 Å²	179	136.1 Å²	136.1	94%	0.937	78%	0.783	S	S	*	*			trans	-155.7	140.8	143.1	-113.2	167.8	0	0	0	111.2
292	L	25.2	Very low	28.6	Very low	151 Å²	151	136.2 Å²	136.2	79%	0.791	79%	0.786	S	S	*	*			trans	-104.4	131	-168.1	-166.2	86.8	0	0	0	109.6
293	S	30	Very low	28.9	Very low	117 Å²	117	136.3 Å²	136.3	82%	0.818	79%	0.791	S	S	*	*			trans	-148.3	90.4	163.4	67.5	0	0	0	0	112.1
294	T	32.1	Very low	29	Very low	97 Å²	97	137.8 Å²	137.8	60%	0.595	79%	0.794	S	S	*	*			trans	-51.4	160.8	151.1	51.5	0	0	0	0	111.8
295	D	31.2	Very low	29	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	80%	0.803	S	S	*	*			cis	-164.2	172.2	-16.3	-95.5	-27.5	0	0	0	107.3
296	E	29.8	Very low	29.2	Very low	182 Å²	182	136.3 Å²	136.3	85%	0.85	80%	0.795	S	S	*	*			trans	-80.3	-177.5	172.7	-62.2	-171.3	123.1	0	0	113.2
297	E	32.1	Very low	29.3	Very low	173 Å²	173	141.5 Å²	141.5	81%	0.808	81%	0.808	S	S	*	*			trans	77.3	89.9	164.3	-53.2	-156.3	140	0	0	119.3	V299	E297-V299 PolarHBondContact O-N 3.49Å
298	T	28	Very low	29.4	Very low	135 Å²	135	141.3 Å²	141.3	83%	0.828	81%	0.807	S	S	*	*			trans	-73.4	102.9	156.6	52.3	0	0	0	0	111.1
299	V	29.4	Very low	29.8	Very low	121 Å²	121	140.2 Å²	140.2	73%	0.733	79%	0.792	S	S	*	*			trans	-105.6	135.5	166.3	176.3	0	0	0	0	110.2	E297	E297-V299 PolarHBondContact O-N 3.49Å
300	S	27.7	Very low	30	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	79%	0.792	S	S	*	*			trans	-65.8	133.7	-178.4	54.2	0	0	0	0	113.5
301	L	30.1	Very low	30.5	Very low	161 Å²	161	144.7 Å²	144.7	84%	0.843	78%	0.784	S	S	*	*			trans	-131.9	105.3	164.2	-96.7	164.7	0	0	0	111
302	N	27.2	Very low	30.8	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	76%	0.761	S	S	*	*			trans	-87.2	154.5	151.7	-78.4	-28.5	0	0	0	108.5
303	T	31.9	Very low	31.2	Very low	122 Å²	122	140.1 Å²	140.1	75%	0.748	76%	0.763	S	S	*	*			trans	83.5	141.1	165.1	74.9	0	0	0	0	119.2
304	I	33.8	Very low	31.3	Very low	145 Å²	145	140.7 Å²	140.7	74%	0.744	76%	0.757	S	S	*	*			trans	96.7	91.4	160.5	-55.7	157.7	0	0	0	115.8
305	D	27.9	Very low	31.3	Very low	161 Å²	161	145 Å²	145	86%	0.861	76%	0.763	S	S	*	*			trans	-61.8	128.4	149.5	-44.9	-82.4	0	0	0	110.5
306	S	32.8	Very low	31.2	Very low	91 Å²	91	148.2 Å²	148.2	64%	0.636	77%	0.765	S	S	*	*			trans	-177.7	107.8	134.5	60.4	0	0	0	0	111.6	E308	S306-E308 VanDerWaalsContact C-N 3.3Å; S306-E308 PolarHBondContact O-N 3.02Å
307	E	29.5	Very low	31.2	Very low	210 Å²	210	143.7 Å²	143.7	98%	0.981	75%	0.754	S	S	*	*	S	Bend		48.6	15.5	128.2	-123	168.5	-164.1	0	0	122.8
308	E	31	Very low	31	Very low	182 Å²	182	143 Å²	143	85%	0.85	76%	0.755	S	S	*	*			trans	-124.1	19.7	-174.4	-130.3	176.9	-163.2	0	0	116.9	S306	S306-E308 VanDerWaalsContact C-N 3.3Å; S306-E308 PolarHBondContact O-N 3.02Å
309	N	32.6	Very low	31	Very low	114 Å²	114	141.9 Å²	141.9	61%	0.61	75%	0.753	S	S	*	*			trans	-127.9	12.1	-179.9	-115	-26.9	0	0	0	117.7	N311 V312	N309-N311 PolarHBondContact O-N 3.3Å; N309-N311 VanDerWaalsContact O-N 3.08Å; N309-V312 WeakPolarHBondContact OD1-CB 3.42Å; N309-V312 WeakPolarHBondContact OD1-CG2 3.41Å
310	M	32.4	Very low	31.1	Very low	165 Å²	165	144.6 Å²	144.6	81%	0.813	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-4.2	171.9	-92.9	-73.7	-75.5	0	0	114.7
311	N	36.8	Very low	31.3	Very low	125 Å²	125	147.9 Å²	147.9	67%	0.668	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	11.4	-175.9	-76.8	-36.3	0	0	0	115.2	N309 R315	N309-N311 PolarHBondContact O-N 3.3Å; N309-N311 VanDerWaalsContact O-N 3.08Å; N311-R315 PolarHBondContact O-NH2 3.47Å
312	V	35.6	Very low	31.5	Very low	74 Å²	74	145 Å²	145	45%	0.448	76%	0.757	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.6	-29.6	175.7	-179.4	0	0	0	0	112.2	N309 N314 R315	N309-V312 WeakPolarHBondContact OD1-CB 3.42Å; N309-V312 WeakPolarHBondContact OD1-CG2 3.41Å; V312-N314 PolarHBondContact O-N 2.93Å; V312-R315 PolarHBondContact O-N 3.27Å
313	L	33.4	Very low	31.6	Very low	160 Å²	160	145.3 Å²	145.3	84%	0.838	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-12.3	173.6	-94.4	155.5	0	0	0	114.7
314	N	32.6	Very low	31.5	Very low	129 Å²	129	145.1 Å²	145.1	69%	0.69	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	13.9	175.2	-90.7	-26.1	0	0	0	114.3	V312	V312-N314 PolarHBondContact O-N 2.93Å
315	R	31	Very low	31.3	Very low	188 Å²	188	147.8 Å²	147.8	71%	0.709	75%	0.753	S	S	*	*	S	Bend	trans	-117.2	3.5	-173	-130.6	178	-65.6	-173.6	2.6	116.6	N311 V312	N311-R315 PolarHBondContact O-NH2 3.47Å; V312-R315 PolarHBondContact O-N 3.27Å
316	Y	30.4	Very low	31.3	Very low	219 Å²	219	147.5 Å²	147.5	86%	0.859	75%	0.751	S	S	*	*	S	Bend	trans	-123.2	13.6	179.4	-81.7	-78	0	0	0	114.8
317	S	29.9	Very low	31	Very low	87 Å²	87	151.6 Å²	151.6	61%	0.608	76%	0.757	S	S	*	*	S	Bend	trans	-96.6	11.2	-178	52.6	0	0	0	0	115.4
318	N	26.6	Very low	31	Very low	157 Å²	157	150.7 Å²	150.7	84%	0.84	75%	0.753	S	S	*	*			trans	-130.7	74.3	-175.1	-80.2	-36.5	0	0	0	113.2
319	S	29.2	Very low	30.8	Very low	113 Å²	113	149.1 Å²	149.1	79%	0.79	75%	0.746	S	S	*	*			trans	-167.4	92.9	150.4	-167.6	0	0	0	0	111.3
320	L	31.5	Very low	30.7	Very low	177 Å²	177	151.5 Å²	151.5	93%	0.927	76%	0.757	S	S	*	*			trans	172.9	96.2	144.6	-94.8	162.1	0	0	0	109.4
321	Q	31.1	Very low	30.3	Very low	180 Å²	180	155.1 Å²	155.1	84%	0.841	76%	0.763	S	S	*	*			trans	-132.2	174	170.6	-115.1	-163.5	18.6	0	0	106.5
322	P	34.7	Very low	29.8	Very low	100 Å²	100	152.4 Å²	152.4	65%	0.649	77%	0.765	S	S	*	*			cis	-135	174.8	-19.7	35.9	-19.9	0	0	0	112.7
323	L	29.2	Very low	29.3	Very low	153 Å²	153	154.1 Å²	154.1	80%	0.801	78%	0.78	S	S	*	*			trans	-163.5	116.2	140.4	-112.3	158.2	0	0	0	112.1
324	N	29.9	Very low	29.2	Very low	118 Å²	118	152.6 Å²	152.6	63%	0.631	78%	0.778	S	S	*	*			trans	31.5	146	149.4	-72	-26.4	0	0	0	120.5
325	R	28.9	Very low	29	Very low	201 Å²	201	155.2 Å²	155.2	76%	0.758	78%	0.783	S	S	*	*			cis	-173.3	133.3	1.4	-112.5	166.3	-163.2	-167	0.4	103.3
326	N	29	Very low	28.9	Very low	155 Å²	155	152.1 Å²	152.1	83%	0.829	79%	0.785	S	S	*	*				-164.4	148	70.4	-85.6	-38.8	0	0	0	110.3
327	K	26	Very low	28.9	Very low	176 Å²	176	150.1 Å²	150.1	77%	0.765	79%	0.788	S	S	*	*			trans	-79.6	150	171.5	-59.9	177.4	171.7	-168.5	0	110.6
328	Q	30.1	Very low	28.8	Very low	192 Å²	192	152.4 Å²	152.4	90%	0.897	79%	0.792	S	S	*	*				-156.8	141.4	109.8	-112.8	168.5	-10.8	0	0	111.7
329	E	25.6	Very low	28.9	Very low	149 Å²	149	150.7 Å²	150.7	70%	0.696	79%	0.79	S	S	*	*			trans	-76.5	162.8	178.6	-62	129.6	171	0	0	110.8
330	I	29.9	Very low	28.8	Very low	164 Å²	164	149.6 Å²	149.6	84%	0.841	78%	0.782	S	S	*	*				-179.9	125.2	119.2	-89.2	152.3	0	0	0	109.3
331	Y	24.8	Very low	28.7	Very low	240 Å²	240	145.9 Å²	145.9	94%	0.941	77%	0.771	S	S	*	*			trans	-74.4	134.2	164.5	-96.7	-103.9	0	0	0	109.6
332	G	27.6	Very low	28.6	Very low	68 Å²	68	146.5 Å²	146.5	70%	0.701	77%	0.771	S	S	*	*			trans	140.6	100.6	158.3	0	0	0	0	0	116.9
333	S	24.7	Very low	28.1	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	77%	0.773	S	S	*	*			trans	35.4	108.3	142.5	174.6	0	0	0	0	119.3
334	T	31.5	Very low	28.1	Very low	128 Å²	128	150.2 Å²	150.2	79%	0.785	78%	0.777	S	S	*	*				-166.5	124.8	118.9	11.4	0	0	0	0	115
335	K	27.9	Very low	27.8	Very low	184 Å²	184	152 Å²	152	80%	0.8	78%	0.778	S	S	*	*			trans	27.6	130.1	142.9	-67.3	-179.3	177.9	177	0	122.6
336	T	27.9	Very low	27.6	Very low	123 Å²	123	149.8 Å²	149.8	76%	0.755	78%	0.775	S	S	*	*			trans	69.3	111.7	138.5	54.3	0	0	0	0	120.5
337	L	30.4	Very low	27.4	Very low	176 Å²	176	151 Å²	151	92%	0.921	78%	0.775	S	S	*	*				-159.7	161.4	90	-97.9	161.7	0	0	0	112.6
338	I	29.5	Very low	27.3	Very low	135 Å²	135	149.8 Å²	149.8	69%	0.692	77%	0.772	S	S	*	*			trans	-114.4	145.5	-164	-91.7	170.3	0	0	0	108	S340	I338-S340 WeakPolarHBondContact CG2-OG 3.33Å
339	P	28.3	Very low	27.1	Very low	121 Å²	121	148.7 Å²	148.7	79%	0.786	77%	0.767	S	S	*	*				-139	145.4	68.6	21.7	2.5	0	0	0	115.3
340	S	27.1	Very low	27	Very low	91 Å²	91	146.7 Å²	146.7	64%	0.636	76%	0.761	S	S	*	*			cis	65.5	128.6	30.5	100.2	0	0	0	0	114.7	I338	I338-S340 WeakPolarHBondContact CG2-OG 3.33Å
341	S	29.4	Very low	26.8	Very low	98 Å²	98	149.1 Å²	149.1	69%	0.685	76%	0.761	S	S	*	*			cis	-161.5	163.3	-3.5	62	0	0	0	0	107.5
342	K	29.4	Very low	26.9	Very low	194 Å²	194	143 Å²	143	84%	0.843	75%	0.75	S	S	*	*				-157.7	128	81.2	-83.8	174.9	-179.3	175.8	0	111.9
343	S	24.1	Very low	26.9	Very low	98 Å²	98	148 Å²	148	69%	0.685	76%	0.76	S	S	*	*			trans	-134.5	136.6	157.1	67.1	0	0	0	0	108.3
344	W	27.7	Very low	26.9	Very low	233 Å²	233	148 Å²	148	88%	0.883	76%	0.761	S	S	*	*			trans	-139.5	117.4	165.2	-74.6	79.1	0	0	0	104.2
345	K	24	Very low	26.6	Very low	154 Å²	154	147 Å²	147	67%	0.67	76%	0.759	S	S	*	*			cis	50.1	125.5	45	-79.4	-175.6	168.1	-176	0	111.1
346	F	24.5	Very low	26.4	Very low	155 Å²	155	143.2 Å²	143.2	68%	0.68	76%	0.756	S	S	*	*			cis	-158.4	152.8	5.2	-108.7	-70.9	0	0	0	106.5
347	H	25.5	Very low	26.1	Very low	182 Å²	182	142.9 Å²	142.9	84%	0.843	76%	0.757	S	S	*	*				178.8	139.9	115.7	-110.1	-90.9	0	0	0	113.2
348	H	24.6	Very low	25.9	Very low	150 Å²	150	143.9 Å²	143.9	69%	0.694	75%	0.754	S	S	*	*			trans	-68.4	141.3	161.2	-82.9	-112.1	0	0	0	110.2
349	Q	24	Very low	25.7	Very low	168 Å²	168	142.2 Å²	142.2	79%	0.785	75%	0.754	S	S	*	*				-175.5	113.7	113.6	-101	169.6	-39.5	0	0	112.7
350	D	24.6	Very low	25.5	Very low	108 Å²	108	142.4 Å²	142.4	58%	0.578	75%	0.752	S	S	*	*				58.4	99.4	121.1	-62.6	-7.1	0	0	0	121.7
351	Y	25.2	Very low	25.3	Very low	214 Å²	214	145 Å²	145	84%	0.839	75%	0.754	S	S	*	*			trans	69.8	162	137.7	-63.5	-64.6	0	0	0	120.9
352	P	27.4	Very low	25	Very low	111 Å²	111	150.2 Å²	150.2	72%	0.721	76%	0.759	S	S	*	*			cis	-131.5	178.5	-27.5	31.1	-12	0	0	0	114
353	L	26.6	Very low	24.8	Very low	173 Å²	173	146.7 Å²	146.7	91%	0.906	75%	0.749	S	S	*	*			trans	-59.4	139.1	156.6	-80.2	73	0	0	0	110.3
354	S	25.8	Very low	24.9	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	75%	0.746	S	S	*	*			trans	-146.9	128.7	151.9	-172.8	0	0	0	0	112.1
355	S	24.2	Very low	24.7	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	73%	0.73	S	S	*	*			trans	-63.6	168.6	162.6	49.7	0	0	0	0	113.6
356	S	23.9	Very low	24.8	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	71%	0.71	S	S	*	*			trans	108.9	111.9	146.3	-155.2	0	0	0	0	118.2
357	C	22.6	Very low	24.9	Very low	115 Å²	115	134 Å²	134	78%	0.777	71%	0.712	S	S	*	*			trans	18.4	116.2	138	-57.1	0	0	0	0	120.4
358	K	25.7	Very low	24.9	Very low	198 Å²	198	127.3 Å²	127.3	86%	0.861	68%	0.682	S	S	*	*			trans	176.3	104.8	133.9	-93.8	151.6	-175.1	-177.5	0	107.3
359	S	24.2	Very low	25	Very low	99 Å²	99	126.7 Å²	126.7	69%	0.692	68%	0.683	S	S	*	*				58.8	114.9	83.7	75.3	0	0	0	0	115.2
360	V	24.7	Very low	25.1	Very low	125 Å²	125	124.3 Å²	124.3	76%	0.758	67%	0.673	S	S	*	*			trans	79	100.5	141.3	176.9	0	0	0	0	120.1
361	H	24.3	Very low	25.2	Very low	145 Å²	145	123.9 Å²	123.9	67%	0.671	67%	0.671	S	S	*	*			trans	63.6	166.3	130.7	-81.1	-112.6	0	0	0	121.4
362	W	22.5	Very low	25.3	Very low	208 Å²	208	120.5 Å²	120.5	79%	0.788	66%	0.661	S	S	*	*			cis	-132.1	138.1	-2.5	-83.1	98.6	0	0	0	107.3
363	N	23.9	Very low	25.3	Very low	120 Å²	120	124.6 Å²	124.6	64%	0.642	66%	0.662	S	S	*	*				87.8	130	78.5	-162.9	37.2	0	0	0	117.1
364	K	28	Very low	25.3	Very low	140 Å²	140	123.2 Å²	123.2	61%	0.609	66%	0.655	S	S	*	*			trans	34.5	129.6	159.5	-94.1	-173.1	169.9	-166.7	0	122.3	P235	P235-K364 HydrophobicContact CB-CB 3.74Å; P235-K364 VanDerWaalsContact CB-O 3.23Å; P235-K364 WeakPolarHBondContact CB-O 3.43Å
365	S	22.2	Very low	25.5	Very low	79 Å²	79	124.1 Å²	124.1	55%	0.552	65%	0.649	S	S	*	*			trans	-173.3	179.8	142.1	46.7	0	0	0	0	113.2	P235	P235-S365 VanDerWaalsContact CG-CB 3.48Å
366	Q	26.7	Very low	25.8	Very low	52 Å²	52	124.8 Å²	124.8	24%	0.243	65%	0.651	C	S	.	*			trans	-116.2	164.2	-147.4	-172.3	-154.1	81.1	0	0	117	E233 E234 N368	E233-Q366 HydrophobicContact CB-CB 3.8Å; E233-Q366 HydrophobicContact CB-CG 3.77Å; E233-Q366 HydrophobicContact CG-CG 4.43Å; E233-Q366 PolarHBondContact O-NE2 3.15Å; E233-Q366 WeakPolarHBondContact OE1-CA 3.5Å; E233-Q366 VanDerWaalsContact OE2-CG 3.24Å; E233-Q366 WeakPolarHBondContact OE2-CG 3.45Å; E234-Q366 HydrophobicContact CB-CB 3.42Å; E234-Q366 VanDerWaalsContact CB-CB 3.42Å; E234-Q366 HydrophobicContact CB-CG 3.78Å; E234-Q366 VanDerWaalsContact CD-CB 3.45Å; E234-Q366 VanDerWaalsContact CD-OE1 3.29Å; E234-Q366 HydrophobicContact CG-CB 3.18Å; E234-Q366 HydrophobicContact CG-CG 3.94Å; E234-Q366 WeakPolarHBondContact OE1-CB 3.4Å; E234-Q366 PolarHBondContact OE1-OE1 3.37Å; E234-Q366 VanDerWaalsContact OE2-CD 3.25Å; E234-Q366 PolarHBondContact OE2-NE2 3.42Å; E234-Q366 PolarHBondContact OE2-OE1 3.39Å; Q366-N368 VanDerWaalsContact CD-ND2 3.3Å; Q366-N368 HydrophobicContact CG-CB 4.11Å; Q366-N368 VanDerWaalsContact CG-CG 3.46Å; Q366-N368 WeakPolarHBondContact CG-OD1 3.28Å; Q366-N368 VanDerWaalsContact NE2-CG 3.3Å; Q366-N368 PolarHBondContact NE2-ND2 3.27Å; Q366-N368 PolarHBondContact NE2-OD1 2.76Å; Q366-N368 PolarHBondContact OE1-ND2 2.98Å
367	S	26.1	Very low	25.9	Very low	104 Å²	104	123.9 Å²	123.9	73%	0.727	65%	0.645	S	S	*	*				-167.1	70.5	130	32	0	0	0	0	115.2	E233	E233-S367 VanDerWaalsContact CD-N 3.3Å; E233-S367 PolarHBondContact OE1-N 3.17Å; E233-S367 VanDerWaalsContact OE1-N 3.08Å; E233-S367 PolarHBondContact OE2-N 2.9Å
368	N	26	Very low	26.1	Very low	41 Å²	41	123.7 Å²	123.7	22%	0.219	64%	0.636	C	S	.	*				21.2	123.8	129.3	-77.8	25.6	0	0	0	119.4	E232 E233 Q366	E232-N368 WeakPolarHBondContact CA-OD1 3.37Å; E232-N368 VanDerWaalsContact CB-CG 3.46Å; E232-N368 WeakPolarHBondContact CB-OD1 3.46Å; E232-N368 HydrophobicContact CG-CB 4.03Å; E232-N368 VanDerWaalsContact CG-CG 3.46Å; E232-N368 WeakPolarHBondContact CG-OD1 3.35Å; E232-N368 WeakPolarHBondContact OE1-CA 3.47Å; E232-N368 WeakPolarHBondContact OE1-CB 3.36Å; E232-N368 VanDerWaalsContact OE1-CG 3.3Å; E232-N368 PolarHBondContact OE1-ND2 3.46Å; E232-N368 PolarHBondContact OE2-ND2 3Å; E233-N368 PolarHBondContact N-OD1 2.87Å; E233-N368 PolarHBondContact OE2-N 3.08Å; E233-N368 PolarHBondContact OE2-OD1 3.28Å; Q366-N368 VanDerWaalsContact CD-ND2 3.3Å; Q366-N368 HydrophobicContact CG-CB 4.11Å; Q366-N368 VanDerWaalsContact CG-CG 3.46Å; Q366-N368 WeakPolarHBondContact CG-OD1 3.28Å; Q366-N368 VanDerWaalsContact NE2-CG 3.3Å; Q366-N368 PolarHBondContact NE2-ND2 3.27Å; Q366-N368 PolarHBondContact NE2-OD1 2.76Å; Q366-N368 PolarHBondContact OE1-ND2 2.98Å
369	L	25.7	Very low	26.2	Very low	137 Å²	137	123.2 Å²	123.2	72%	0.717	63%	0.629	S	S	*	*			trans	-151.2	92.6	141.5	-139.5	102	0	0	0	112.8	N231 E232	N231-L369 PolarHBondContact ND2-O 3.22Å; E232-L369 WeakPolarHBondContact OE1-CA 3.3Å; E232-L369 PolarHBondContact OE1-N 2.87Å
370	M	25.9	Very low	26.3	Very low	117 Å²	117	125.7 Å²	125.7	58%	0.576	63%	0.627	S	S	*	*				36.1	140	121	-78.2	-159.3	-178	0	0	118.4	E232	E232-M370 PolarHBondContact OE1-N 3.11Å
371	N	27.4	Very low	26.3	Very low	99 Å²	99	125.4 Å²	125.4	53%	0.529	62%	0.62	S	S	.	*			cis	-175.5	156	42	-134	-34.1	0	0	0	112.8
372	K	28.2	Very low	26.3	Very low	144 Å²	144	126.6 Å²	126.6	63%	0.626	63%	0.626	S	S	*	*			trans	71.9	135.9	150.9	-65.4	160.4	-172.8	167.1	0	117.9
373	R	26.3	Very low	26.5	Very low	196 Å²	196	121.5 Å²	121.5	74%	0.74	62%	0.618	S	S	*	*			cis	-170.8	157.2	2.1	-122.5	167.5	-167	178.4	2	112.5
374	L	27.9	Very low	26.6	Very low	145 Å²	145	122 Å²	122	76%	0.759	62%	0.621	S	S	*	*			trans	69.4	115.6	152	-67.3	155.3	0	0	0	116.4
375	I	29	Very low	26.6	Very low	131 Å²	131	122.8 Å²	122.8	67%	0.672	63%	0.631	S	S	*	*			cis	62.8	115.1	33.1	-50.3	177.7	0	0	0	110.7	S377	I375-S377 VanDerWaalsContact CG2-OG 3.29Å; I375-S377 WeakPolarHBondContact CG2-OG 3.42Å
376	P	30.3	Very low	27.1	Very low	120 Å²	120	123.8 Å²	123.8	78%	0.779	64%	0.636	S	S	*	*				-117.7	147.7	67.1	1	22.9	0	0	0	113.8
377	S	25.7	Very low	27.2	Very low	87 Å²	87	129 Å²	129	61%	0.608	66%	0.664	S	S	*	*			cis	64	111.4	49.5	-58.7	0	0	0	0	114.1	I375	I375-S377 VanDerWaalsContact CG2-OG 3.29Å; I375-S377 WeakPolarHBondContact CG2-OG 3.42Å
378	D	28.1	Very low	27.1	Very low	111 Å²	111	129 Å²	129	59%	0.594	67%	0.665	S	S	*	*				175.7	133.6	107.3	-100.9	-21.9	0	0	0	112.2
379	R	26.6	Very low	27.3	Very low	188 Å²	188	134.2 Å²	134.2	71%	0.709	69%	0.691	S	S	*	*				63.2	152.3	128.1	-60.1	174	-159.7	-173.4	15.4	119
380	K	26.6	Very low	27.5	Very low	150 Å²	150	135.1 Å²	135.1	65%	0.652	69%	0.691	S	S	*	*			cis	-166.4	149.1	-7.2	-114.1	174.3	177	-167	0	106.7
381	I	24.9	Very low	27.8	Very low	120 Å²	120	134.2 Å²	134.2	62%	0.615	69%	0.694	S	S	*	*				50.6	148.2	128.3	-59.5	171.3	0	0	0	119.4
382	E	25.4	Very low	27.8	Very low	170 Å²	170	135.1 Å²	135.1	79%	0.794	70%	0.699	S	S	*	*			trans	70.2	148.3	166.1	-82.3	150.1	-134.9	0	0	115.7
383	T	26	Very low	27.8	Very low	101 Å²	101	134.5 Å²	134.5	62%	0.62	70%	0.702	S	S	*	*			cis	-162.9	162.8	-19.2	13.3	0	0	0	0	109.8
384	N	25.4	Very low	27.8	Very low	130 Å²	130	132.8 Å²	132.8	70%	0.695	71%	0.707	S	S	*	*			trans	45.7	119	141.6	-57.1	-21.2	0	0	0	122.3
385	L	27.7	Very low	27.8	Very low	157 Å²	157	130.8 Å²	130.8	82%	0.822	70%	0.703	S	S	*	*			trans	64.1	168.4	137.6	-87.7	83	0	0	0	118.8
386	P	33.1	Very low	27.6	Very low	100 Å²	100	131.8 Å²	131.8	65%	0.649	71%	0.709	S	S	*	*			cis	-132.7	173.9	-47.9	37.4	-22.5	0	0	0	111.7
387	L	29.4	Very low	27.4	Very low	160 Å²	160	130.9 Å²	130.9	84%	0.838	71%	0.706	S	S	*	*				-176.8	100.5	123.8	-101.5	159.6	0	0	0	111.6
388	S	23.8	Very low	27.5	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	71%	0.712	S	S	*	*			trans	-113	126.9	153.7	56.9	0	0	0	0	108.8
389	I	29.8	Very low	27.4	Very low	149 Å²	149	134.5 Å²	134.5	76%	0.764	72%	0.723	S	S	*	*			trans	-143.9	94.4	150.3	-55.5	-177	0	0	0	103.1
390	Q	30.7	Very low	27.5	Very low	156 Å²	156	130.2 Å²	130.2	73%	0.729	72%	0.721	S	S	*	*				62	152	88.2	-87.3	-148.3	-1.8	0	0	114.8
391	P	32	Very low	27.7	Very low	98 Å²	98	127.4 Å²	127.4	64%	0.636	72%	0.719	S	S	*	*			cis	-131.4	154.6	15	16.6	9.1	0	0	0	117.9
392	N	27.7	Very low	27.8	Very low	119 Å²	119	128.7 Å²	128.7	64%	0.636	72%	0.722	S	S	*	*			trans	65.5	150.2	140.2	-58.2	-10.2	0	0	0	120.3
393	N	27.1	Very low	28	Very low	130 Å²	130	128.9 Å²	128.9	70%	0.695	72%	0.721	S	S	*	*			cis	-169.8	157.9	-26.1	-107.9	-19.1	0	0	0	108.6
394	L	27.6	Very low	28.3	Very low	160 Å²	160	128.7 Å²	128.7	84%	0.838	72%	0.721	S	S	*	*			trans	72.5	131.2	165.5	-90.9	73.8	0	0	0	120.5
395	P	26.4	Very low	28.3	Very low	104 Å²	104	132.7 Å²	132.7	68%	0.675	73%	0.728	S	S	*	*			trans	-108.3	-171.1	169.5	41.5	-33.7	0	0	0	113.9
396	N	26.5	Very low	28.2	Very low	151 Å²	151	130.3 Å²	130.3	81%	0.807	72%	0.724	S	S	*	*			trans	89.1	151.5	170.9	-50.1	-25.9	0	0	0	116.7
397	S	24.8	Very low	27.8	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	73%	0.727	S	S	*	*			cis	-171.8	169.7	-36	54.1	0	0	0	0	109.3
398	V	27.9	Very low	27.5	Very low	121 Å²	121	127.9 Å²	127.9	73%	0.733	72%	0.723	S	S	*	*			trans	76.1	115	165.1	-169.7	0	0	0	0	119.5
399	N	26.5	Very low	27.8	Very low	154 Å²	154	129.7 Å²	129.7	82%	0.824	73%	0.729	S	S	*	*				-172.7	159.4	127	-100.1	-26.1	0	0	0	114
400	S	27.9	Very low	27.7	Very low	97 Å²	97	132.6 Å²	132.6	68%	0.678	73%	0.732	S	S	*	*			trans	-142.1	-177.1	-178.6	60.8	0	0	0	0	109.4
401	P	31.2	Very low	27.5	Very low	91 Å²	91	132.9 Å²	132.9	59%	0.591	74%	0.739	S	S	*	*				-127.5	171.6	-50.8	36.7	-21.8	0	0	0	115.1
402	Q	28	Very low	27.3	Very low	148 Å²	148	136.5 Å²	136.5	69%	0.692	75%	0.747	S	S	*	*			trans	78.8	124	145.9	-87.8	-178.9	0.5	0	0	125.4
403	F	28.3	Very low	27.5	Very low	174 Å²	174	135.8 Å²	135.8	76%	0.763	75%	0.749	S	S	*	*			trans	73.3	156.8	144.2	-71.1	-52.8	0	0	0	121.8
404	P	32.2	Very low	27.8	Very low	97 Å²	97	136 Å²	136	63%	0.63	76%	0.756	S	S	*	*			cis	-136.8	-177.4	-12.9	25.3	0.1	0	0	0	116.9
405	Y	26.5	Very low	28.4	Very low	213 Å²	213	131.2 Å²	131.2	84%	0.835	73%	0.733	S	S	*	*			trans	85.6	127.2	156	-72.4	-69.8	0	0	0	124.6
406	S	24.4	Very low	29	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	73%	0.729	S	S	*	*			trans	94.3	143.7	137.5	78.4	0	0	0	0	122.4
407	S	24.7	Very low	29.8	Very low	100 Å²	100	128 Å²	128	70%	0.699	71%	0.712	S	S	*	*			trans	71.7	104.4	161.7	63.8	0	0	0	0	121.5
408	S	24.8	Very low	30.7	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	70%	0.702	S	S	*	*			trans	29.7	111.7	131.3	59.3	0	0	0	0	120.9
409	V	28.5	Very low	31.7	Very low	143 Å²	143	126.6 Å²	126.6	87%	0.867	69%	0.689	S	S	*	*			trans	-140.3	133.4	143	-179	0	0	0	0	109
410	Y	27.8	Very low	32.8	Very low	211 Å²	211	125.5 Å²	125.5	83%	0.827	68%	0.675	S	S	*	*			trans	-78.4	133.9	170	-101.7	-104.9	0	0	0	110.1	Q412	Y410-Q412 PolarHBondContact O-N 3.07Å; Y410-Q412 VanDerWaalsContact O-N 3.08Å
411	D	27.9	Very low	34.1	Very low	161 Å²	161	123.1 Å²	123.1	86%	0.861	67%	0.666	S	S	*	*			trans	-66.8	105.9	160.7	-81.4	-39.5	0	0	0	109.3	P413	D411-P413 WeakPolarHBondContact O-CD 3.43Å
412	Q	27.3	Very low	35	Very low	174 Å²	174	124.5 Å²	124.5	81%	0.813	67%	0.668	S	S	*	*			trans	-79.1	121.1	170.8	-74.4	-171.8	-12	0	0	109.9	Y410 T414	Y410-Q412 PolarHBondContact O-N 3.07Å; Y410-Q412 VanDerWaalsContact O-N 3.08Å; Q412-T414 PolarHBondContact O-N 3.29Å
413	P	31.2	Very low	36.1	Very low	104 Å²	104	123.2 Å²	123.2	68%	0.675	67%	0.673	S	S	*	*			trans	-68.1	119.8	162.1	28.7	-31.2	0	0	0	108.3	D411 T415	D411-P413 WeakPolarHBondContact O-CD 3.43Å; P413-T415 PolarHBondContact O-N 3.05Å; P413-T415 PolarHBondContact O-OG1 2.98Å; P413-T415 VanDerWaalsContact O-OG1 3.06Å
414	T	33.7	Very low	37.1	Very low	136 Å²	136	120.4 Å²	120.4	83%	0.834	67%	0.674	S	S	*	*			trans	-55.9	97.8	-176.1	35.8	0	0	0	0	111.5	Q412 I416	Q412-T414 PolarHBondContact O-N 3.29Å; T414-I416 PolarHBondContact O-N 2.95Å
415	T	40.4	Very low	37.8	Very low	59 Å²	59	118 Å²	118	36%	0.362	67%	0.667	S	S	.	*			trans	-85.3	104.3	-179.7	-49.4	0	0	0	0	107.6	P413 T417 Y431	P413-T415 PolarHBondContact O-N 3.05Å; P413-T415 PolarHBondContact O-OG1 2.98Å; P413-T415 VanDerWaalsContact O-OG1 3.06Å; T415-T417 PolarHBondContact O-N 3.43Å; T415-T417 VanDerWaalsContact O-N 3.08Å; T415-Y431 HydrophobicContact CG2-CD1 3.79Å; T415-Y431 HydrophobicContact CG2-CG 4.35Å
416	I	39.6	Very low	38.3	Very low	114 Å²	114	113.8 Å²	113.8	59%	0.585	66%	0.659	S	S	*	*			trans	-64.5	114.5	176.7	-62.3	175.6	0	0	0	107.7	T414 Y432	T414-I416 PolarHBondContact O-N 2.95Å; I416-Y432 WeakPolarHBondContact O-CD2 3.31Å; I416-Y432 PolarHBondContact O-N 3.04Å
417	T	43.1	Very low	39.9	Very low	74 Å²	74	114 Å²	114	45%	0.454	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.3	133.6	171.7	45.3	0	0	0	0	109.7	T415 T429 V430 Y431	T415-T417 PolarHBondContact O-N 3.43Å; T415-T417 VanDerWaalsContact O-N 3.08Å; T417-T429 HydrophobicContact CG2-CG2 3.88Å; T417-V430 WeakPolarHBondContact CA-O 3.4Å; T417-Y431 HydrophobicContact CG2-CD1 3.5Å; T417-Y431 VanDerWaalsContact CG2-CD1 3.5Å; T417-Y431 HydrophobicContact CG2-CE1 3.44Å; T417-Y431 VanDerWaalsContact CG2-CE1 3.44Å; T417-Y431 HydrophobicContact CG2-CG 4.41Å
418	K	42.6	Very low	40.6	Very low	114 Å²	114	116.2 Å²	116.2	50%	0.496	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.4	122.9	160.3	-75.8	-170.1	177.5	-179.3	0	109.1	Y420 V430	K418-Y420 HydrophobicContact CB-CD2 4.24Å; K418-Y420 HydrophobicContact CB-CE2 3.5Å; K418-Y420 HydrophobicContact CD-CE2 4.4Å; K418-Y420 WeakPolarHBondContact CD-OH 3.32Å; K418-V430 PolarHBondContact N-O 3.3Å; K418-V430 PolarHBondContact O-N 3.04Å
419	T	49.8	Very low	42.2	Very low	77 Å²	77	113.8 Å²	113.8	47%	0.472	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.3	133.6	174	-44.5	0	0	0	0	108.9	Q427 W428	T419-Q427 HydrophobicContact CG2-CB 4.07Å; T419-W428 WeakPolarHBondContact CA-O 3.38Å
420	Y	49.9	Very low	43.1	Very low	131 Å²	131	110 Å²	110	51%	0.514	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.5	132.2	176.8	-66	-88.5	0	0	0	109.5	K418 W428	K418-Y420 HydrophobicContact CB-CD2 4.24Å; K418-Y420 HydrophobicContact CB-CE2 3.5Å; K418-Y420 HydrophobicContact CD-CE2 4.4Å; K418-Y420 WeakPolarHBondContact CD-OH 3.32Å; Y420-W428 PolarHBondContact N-O 3.45Å; Y420-W428 PolarHBondContact O-N 2.98Å
421	G	53.5	Low	44.1	Very low	48 Å²	48	107.7 Å²	107.7	50%	0.495	59%	0.59	S	S	.	*	S	Bend	trans	151.2	151.4	178.8	0	0	0	0	0	111.5
422	D	51.1	Low	44.7	Very low	120 Å²	120	106.5 Å²	106.5	64%	0.642	57%	0.574	S	S	*	*			trans	-69.7	157.1	173.7	-111.2	-32.3	0	0	0	111	S424 G425	D422-S424 PolarHBondContact O-N 2.74Å; D422-G425 PolarHBondContact O-N 3.15Å
423	P	50.8	Low	45.1	Very low	121 Å²	121	108.9 Å²	108.9	79%	0.786	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-5.8	176.2	-21.4	33.9	0	0	0	115.2
424	S	48.5	Very low	45.6	Very low	114 Å²	114	109.7 Å²	109.7	80%	0.797	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	11.2	-172.3	52.5	0	0	0	0	114.1	D422	D422-S424 PolarHBondContact O-N 2.74Å
425	G	48.5	Very low	45.9	Very low	46 Å²	46	108.8 Å²	108.8	47%	0.474	57%	0.571	S	S	.	*	S	Bend	trans	-149.9	-176.1	178.4	0	0	0	0	0	113	D422 Q427	D422-G425 PolarHBondContact O-N 3.15Å; G425-Q427 PolarHBondContact O-N 2.82Å; G425-Q427 VanDerWaalsContact O-N 3.15Å
426	D	36.2	Very low	45.7	Very low	126 Å²	126	112.3 Å²	112.3	67%	0.674	59%	0.588	S	S	*	*			trans	-60.8	116.4	-175.6	-65.6	-28	0	0	0	112.2	W428	D426-W428 HydrophobicContact CB-CZ2 3.55Å; D426-W428 VanDerWaalsContact O-CD1 3.26Å; D426-W428 PolarHBondContact O-NE1 3.47Å; D426-W428 VanDerWaalsContact O-NE1 3.09Å
427	Q	57.2	Low	45.7	Very low	110 Å²	110	113.6 Å²	113.6	51%	0.514	59%	0.594	S	S	.	*			trans	-90.2	138.6	172.4	-66.7	-174.9	-2.9	0	0	111	T419 G425	T419-Q427 HydrophobicContact CG2-CB 4.07Å; G425-Q427 PolarHBondContact O-N 2.82Å; G425-Q427 VanDerWaalsContact O-N 3.15Å
428	W	40.8	Very low	45.3	Very low	148 Å²	148	115.7 Å²	115.7	56%	0.561	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.4	133.2	179.6	-46.9	84.3	0	0	0	110.4	T419 Y420 D426	T419-W428 WeakPolarHBondContact CA-O 3.38Å; Y420-W428 PolarHBondContact N-O 3.45Å; Y420-W428 PolarHBondContact O-N 2.98Å; D426-W428 HydrophobicContact CB-CZ2 3.55Å; D426-W428 VanDerWaalsContact O-CD1 3.26Å; D426-W428 PolarHBondContact O-NE1 3.47Å; D426-W428 VanDerWaalsContact O-NE1 3.09Å
429	T	58.7	Low	44.9	Very low	59 Å²	59	117.7 Å²	117.7	36%	0.362	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.1	120.8	-177.6	-49.8	0	0	0	0	110.2	T417 Y431	T417-T429 HydrophobicContact CG2-CG2 3.88Å; T429-Y431 HydrophobicContact CG2-CE2 4.39Å
430	V	46.6	Very low	44	Very low	64 Å²	64	120.8 Å²	120.8	39%	0.388	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	126.8	176.9	-177.8	0	0	0	0	109.6	T417 K418 Y432	T417-V430 WeakPolarHBondContact CA-O 3.4Å; K418-V430 PolarHBondContact N-O 3.3Å; K418-V430 PolarHBondContact O-N 3.04Å; V430-Y432 HydrophobicContact CB-CE2 4.47Å; V430-Y432 HydrophobicContact CG1-CD2 4.46Å; V430-Y432 HydrophobicContact CG1-CE1 4.48Å; V430-Y432 HydrophobicContact CG1-CE2 3.97Å
431	Y	48.8	Very low	43.1	Very low	161 Å²	161	123.6 Å²	123.6	63%	0.631	66%	0.655	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.5	121.4	175.5	-61.4	-90.2	0	0	0	110.1	T415 T417 T429	T415-Y431 HydrophobicContact CG2-CD1 3.79Å; T415-Y431 HydrophobicContact CG2-CG 4.35Å; T417-Y431 HydrophobicContact CG2-CD1 3.5Å; T417-Y431 VanDerWaalsContact CG2-CD1 3.5Å; T417-Y431 HydrophobicContact CG2-CE1 3.44Å; T417-Y431 VanDerWaalsContact CG2-CE1 3.44Å; T417-Y431 HydrophobicContact CG2-CG 4.41Å; T429-Y431 HydrophobicContact CG2-CE2 4.39Å
432	Y	39.4	Very low	42.1	Very low	136 Å²	136	128.8 Å²	128.8	53%	0.533	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-92.9	123.7	173.7	-64.5	-88.3	0	0	0	110.8	I416 V430	I416-Y432 WeakPolarHBondContact O-CD2 3.31Å; I416-Y432 PolarHBondContact O-N 3.04Å; V430-Y432 HydrophobicContact CB-CE2 4.47Å; V430-Y432 HydrophobicContact CG1-CD2 4.46Å; V430-Y432 HydrophobicContact CG1-CE1 4.48Å; V430-Y432 HydrophobicContact CG1-CE2 3.97Å
433	R	37.5	Very low	41	Very low	225 Å²	225	132 Å²	132	85%	0.849	68%	0.68	S	S	*	*			trans	-110.9	146.4	170.5	-96.8	-172.1	176.7	-175.9	0.8	111.6
434	N	40.2	Very low	40.1	Very low	121 Å²	121	130.9 Å²	130.9	65%	0.647	68%	0.676	S	S	*	*			trans	-66.1	132	179	-173.2	-5.1	0	0	0	111	N436	N434-N436 VanDerWaalsContact C-N 3.26Å; N434-N436 PolarHBondContact O-N 3.04Å; N434-N436 VanDerWaalsContact O-N 3.16Å
435	P	39.9	Very low	39.1	Very low	116 Å²	116	130.7 Å²	130.7	75%	0.753	68%	0.675	S	S	*	*	S	Bend	trans	-71.1	-4.3	-172.2	-20.9	34.2	0	0	0	117.1	I437	P435-I437 VanDerWaalsContact C-N 3.3Å; P435-I437 PolarHBondContact O-N 2.78Å; P435-I437 VanDerWaalsContact O-N 3.08Å
436	N	36.6	Very low	38.4	Very low	133 Å²	133	135.4 Å²	135.4	71%	0.711	69%	0.688	S	S	*	*			trans	-85.6	34.4	-164.7	-66.5	-2.4	0	0	0	115.4	N434	N434-N436 VanDerWaalsContact C-N 3.26Å; N434-N436 PolarHBondContact O-N 3.04Å; N434-N436 VanDerWaalsContact O-N 3.16Å
437	I	40.3	Very low	38.1	Very low	142 Å²	142	136.6 Å²	136.6	73%	0.728	69%	0.694	S	S	*	*	S	Bend	trans	-139.4	118.7	178.4	-52.6	178.9	0	0	0	110.2	P435	P435-I437 VanDerWaalsContact C-N 3.3Å; P435-I437 PolarHBondContact O-N 2.78Å; P435-I437 VanDerWaalsContact O-N 3.08Å
438	P	34.3	Very low	37	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	71%	0.708	S	S	*	*			trans	-68.7	153.5	173.5	-18.4	32.3	0	0	0	113.2
439	N	33.5	Very low	36.6	Very low	157 Å²	157	141 Å²	141	84%	0.84	72%	0.723	S	S	*	*			trans	-68.5	137.8	-170.3	-68.8	-39	0	0	0	114.2
440	I	32.2	Very low	35.1	Very low	142 Å²	142	143.9 Å²	143.9	73%	0.728	74%	0.742	S	S	*	*			trans	-104.8	134	162.2	-67.9	174.9	0	0	0	108.5	I442	I440-I442 PolarHBondContact O-N 2.91Å
441	H	30.3	Very low	34.4	Very low	189 Å²	189	147.1 Å²	147.1	88%	0.875	76%	0.762	S	S	*	*			trans	-59.6	128.3	173.7	-120.2	-97.5	0	0	0	110.9
442	I	31.9	Very low	33.4	Very low	157 Å²	157	145.3 Å²	145.3	81%	0.805	77%	0.768	S	S	*	*			trans	-100.7	106.2	171.5	-60.8	177	0	0	0	108.3	I440	I440-I442 PolarHBondContact O-N 2.91Å
443	E	28.1	Very low	32.9	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.874	78%	0.778	S	S	*	*			trans	-89.9	122.3	166.8	-168	169.3	-142	0	0	108.7	S445	E443-S445 PolarHBondContact O-N 3.3Å
444	S	32.4	Very low	32.3	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	78%	0.777	S	S	*	*			trans	-91.4	95.8	-174.6	44.8	0	0	0	0	112.1	I446	S444-I446 PolarHBondContact O-N 3.24Å; S444-I446 VanDerWaalsContact O-N 3.15Å
445	S	28.7	Very low	31.8	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	78%	0.776	S	S	*	*			trans	-76.2	95.9	168.7	63.7	0	0	0	0	111.1	E443	E443-S445 PolarHBondContact O-N 3.3Å
446	I	33.6	Very low	31.1	Very low	145 Å²	145	141.8 Å²	141.8	74%	0.744	78%	0.78	S	S	*	*			trans	-89.5	101.9	164.5	-61.7	179.3	0	0	0	108.2	S444	S444-I446 PolarHBondContact O-N 3.24Å; S444-I446 VanDerWaalsContact O-N 3.15Å
447	N	29.3	Very low	30.9	Very low	151 Å²	151	140 Å²	140	81%	0.807	78%	0.778	S	S	*	*			trans	-80.8	120.5	163.7	-85	-42.1	0	0	0	108.7
448	D	34.9	Very low	30.4	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	78%	0.779	S	S	*	*			trans	-138.2	135.1	157.2	-95	-44.7	0	0	0	110.8
449	K	31.5	Very low	30.3	Very low	199 Å²	199	139.4 Å²	139.4	87%	0.865	77%	0.774	S	S	*	*			trans	-92.3	155.2	-177.5	-83.7	178.2	176.5	174.6	0	111.4
450	P	28.2	Very low	30.1	Very low	119 Å²	119	137.7 Å²	137.7	77%	0.773	77%	0.765	S	S	*	*			trans	-92.3	134.6	-171	34.9	-33.7	0	0	0	114.1
451	T	31.5	Very low	30	Very low	131 Å²	131	139 Å²	139	80%	0.804	77%	0.765	S	S	*	*			trans	-154	106.8	154.6	10.4	0	0	0	0	107.2
452	T	26.6	Very low	29.8	Very low	124 Å²	124	132.7 Å²	132.7	76%	0.761	74%	0.742	S	S	*	*				77.7	146.9	78.1	-53.8	0	0	0	0	112.6
453	I	28.8	Very low	29.5	Very low	146 Å²	146	128.6 Å²	128.6	75%	0.749	73%	0.725	S	S	*	*			trans	89.5	93.9	-179.2	-52.7	-179.8	0	0	0	111.8
454	L	26.2	Very low	29.4	Very low	156 Å²	156	126.8 Å²	126.8	82%	0.817	72%	0.721	S	S	*	*				70.2	124	89.6	-98.4	125.7	0	0	0	112.6
455	G	28.4	Very low	29.3	Very low	61 Å²	61	129 Å²	129	63%	0.629	72%	0.72	S	S	*	*			cis	178	-175.8	-5.2	0	0	0	0	0	111.8
456	L	26.5	Very low	29.2	Very low	160 Å²	160	130 Å²	130	84%	0.838	72%	0.723	S	S	*	*			trans	59.2	129.2	146.2	-56	162.2	0	0	0	117.3
457	S	31.5	Very low	28.8	Very low	96 Å²	96	129 Å²	129	67%	0.671	72%	0.72	S	S	*	*			cis	-165.5	123.4	5.7	47.4	0	0	0	0	107.7
458	I	30.6	Very low	28.7	Very low	144 Å²	144	126.8 Å²	126.8	74%	0.738	72%	0.716	S	S	*	*				26.6	128.6	97	-21.6	170.2	0	0	0	111.6
459	P	32.2	Very low	28.2	Very low	102 Å²	102	131.2 Å²	131.2	66%	0.662	72%	0.723	S	S	*	*			cis	-158.5	150.6	48.8	41.6	-18.8	0	0	0	121.9
460	N	28.4	Very low	28	Very low	121 Å²	121	130.7 Å²	130.7	65%	0.647	72%	0.721	S	S	*	*			trans	68.1	153.2	131.4	-65.1	-11.7	0	0	0	120.4
461	K	29.9	Very low	27.8	Very low	169 Å²	169	130.7 Å²	130.7	74%	0.735	72%	0.723	S	S	*	*			cis	-167.4	136.2	-12.1	-113.9	169.5	-177.3	-176.6	0	108.8
462	S	26.5	Very low	27.5	Very low	57 Å²	57	129.1 Å²	129.1	40%	0.399	72%	0.716	S	S	.	*			trans	-169.8	81.9	136.9	43.6	0	0	0	0	112.8	H195	H195-S462 WeakPolarHBondContact O-CB 3.4Å; H195-S462 PolarHBondContact O-OG 3Å
463	T	26.8	Very low	27.5	Very low	72 Å²	72	131.5 Å²	131.5	44%	0.442	72%	0.723	S	S	.	*				49.4	80.2	127.4	37	0	0	0	0	119.8	P193 N194	P193-T463 PolarHBondContact O-OG1 3.41Å; N194-T463 PolarHBondContact N-O 3.36Å
464	L	25.8	Very low	27.4	Very low	149 Å²	149	132.2 Å²	132.2	78%	0.78	72%	0.723	S	S	*	*				-152.1	115.4	125.5	-123.2	132.3	0	0	0	111
465	H	28.4	Very low	27.4	Very low	146 Å²	146	132.9 Å²	132.9	68%	0.676	72%	0.722	S	S	*	*			trans	-75.6	141.2	175.5	-95.8	-73.3	0	0	0	110.8	N467	H465-N467 PolarHBondContact CE1-ND2 3.1Å; H465-N467 PolarHBondContact CE1-OD1 3.22Å; H465-N467 VanDerWaalsContact CE1-OD1 3.27Å; H465-N467 PolarHBondContact ND1-OD1 3.15Å; H465-N467 VanDerWaalsContact ND1-OD1 3.1Å
466	P	26.9	Very low	27.2	Very low	129 Å²	129	133.5 Å²	133.5	84%	0.838	72%	0.716	S	S	*	*				-118.4	110.4	120.5	32.3	-28.6	0	0	0	109.3
467	N	26.6	Very low	27.1	Very low	125 Å²	125	131.6 Å²	131.6	67%	0.668	71%	0.707	S	S	*	*			trans	-93.7	160.1	171.8	-110.2	15.3	0	0	0	111.1	H465	H465-N467 PolarHBondContact CE1-ND2 3.1Å; H465-N467 PolarHBondContact CE1-OD1 3.22Å; H465-N467 VanDerWaalsContact CE1-OD1 3.27Å; H465-N467 PolarHBondContact ND1-OD1 3.15Å; H465-N467 VanDerWaalsContact ND1-OD1 3.1Å
468	S	27.4	Very low	26.8	Very low	105 Å²	105	135 Å²	135	73%	0.734	71%	0.712	S	S	*	*			trans	65.7	79	168.5	68.4	0	0	0	0	118.6	K470	S468-K470 PolarHBondContact O-N 3.5Å
469	Y	24.4	Very low	26.6	Very low	245 Å²	245	139 Å²	139	96%	0.961	72%	0.72	S	S	*	*			trans	-75.5	97.3	133.2	-86.4	-87.1	0	0	0	109.1
470	K	25.8	Very low	26.3	Very low	187 Å²	187	139.3 Å²	139.3	81%	0.813	72%	0.72	S	S	*	*			trans	-160.6	140.7	160.4	-115.4	179.1	-177.6	-178.4	0	108.8	S468	S468-K470 PolarHBondContact O-N 3.5Å
471	S	24.2	Very low	26.3	Very low	119 Å²	119	139.5 Å²	139.5	83%	0.832	73%	0.726	S	S	*	*			trans	76.5	166.1	-171.6	84.6	0	0	0	0	114.5
472	P	26.1	Very low	26.1	Very low	99 Å²	99	138 Å²	138	64%	0.643	72%	0.721	S	S	*	*				-134.3	153.3	-85.5	36.3	-19.1	0	0	0	114	Q474	P472-Q474 PolarHBondContact O-N 2.89Å
473	L	26.2	Very low	26.2	Very low	174 Å²	174	143.2 Å²	143.2	91%	0.911	74%	0.743	S	S	*	*			trans	-83.1	67.2	173.3	-93.9	162.4	0	0	0	112.7
474	Q	26	Very low	26.2	Very low	161 Å²	161	144.1 Å²	144.1	75%	0.752	74%	0.741	S	S	*	*			trans	-113.7	83.6	161.7	-159.2	175.5	11.6	0	0	107.1	P472 S476	P472-Q474 PolarHBondContact O-N 2.89Å; Q474-S476 PolarHBondContact O-N 3.38Å
475	H	27.1	Very low	26.3	Very low	169 Å²	169	140.4 Å²	140.4	78%	0.782	72%	0.721	S	S	*	*			trans	-92.8	72.1	179	-117.5	-53	0	0	0	111.2
476	S	23.5	Very low	26.5	Very low	74 Å²	74	140.5 Å²	140.5	52%	0.517	73%	0.727	S	S	.	*			trans	-87.3	179.3	145.3	61.3	0	0	0	0	109.4	Q474	Q474-S476 PolarHBondContact O-N 3.38Å
477	N	25.6	Very low	26.4	Very low	121 Å²	121	143.1 Å²	143.1	65%	0.647	73%	0.728	S	S	*	*			trans	91.4	107	165.6	-48.1	-2.3	0	0	0	116.9
478	E	25.2	Very low	26.5	Very low	166 Å²	166	145.7 Å²	145.7	78%	0.776	74%	0.741	S	S	*	*				44	105.2	122.4	-59.3	177.4	142.4	0	0	119.2
479	Y	25.2	Very low	26.4	Very low	230 Å²	230	146.5 Å²	146.5	90%	0.902	74%	0.741	S	S	*	*			trans	-111.5	69	144.1	-82.9	-78.8	0	0	0	110.4
480	T	26.4	Very low	26.5	Very low	108 Å²	108	142.7 Å²	142.7	66%	0.663	74%	0.736	S	S	*	*			trans	-117.1	116.3	163.9	-38.9	0	0	0	0	108.8
481	T	27.4	Very low	26.6	Very low	125 Å²	125	139 Å²	139	77%	0.767	73%	0.731	S	S	*	*	S	Bend	trans	81.2	136.1	169.5	79.7	0	0	0	0	121
482	Q	26.4	Very low	26.6	Very low	136 Å²	136	138.7 Å²	138.7	64%	0.636	73%	0.729	S	S	*	*			trans	85	74.7	149.9	-50.7	-140.4	58	0	0	122.7
483	I	28.8	Very low	26.8	Very low	168 Å²	168	143.9 Å²	143.9	86%	0.862	74%	0.741	S	S	*	*				-147.7	102.5	122.7	-52.6	-173.9	0	0	0	105.7
484	K	27.9	Very low	26.8	Very low	90 Å²	90	140.5 Å²	140.5	39%	0.391	73%	0.732	S	S	.	*				57.6	58.3	53.5	-90.1	170.7	176.1	-170.5	0	114.9	L182 I183	L182-K484 WeakPolarHBondContact O-CE 3.39Å; L182-K484 PolarHBondContact O-NZ 3.33Å; I183-K484 VanDerWaalsContact N-CD 3.34Å
485	N	27.1	Very low	26.7	Very low	71 Å²	71	137.9 Å²	137.9	38%	0.38	73%	0.731	S	S	.	*				155.4	118.2	116.2	-73.5	-35.4	0	0	0	113.4	I183	I183-N485 WeakPolarHBondContact CD1-ND2 3.48Å; I183-N485 WeakPolarHBondContact CD1-OD1 3.39Å; I183-N485 WeakPolarHBondContact CG1-ND2 3.46Å; I183-N485 WeakPolarHBondContact CG1-OD1 3.44Å
486	N	31.5	Very low	26.7	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	73%	0.732	S	S	*	*				170.8	103.9	121.1	-89.1	-2.9	0	0	0	109.7
487	Q	26.4	Very low	26.9	Very low	184 Å²	184	140.1 Å²	140.1	86%	0.86	74%	0.741	S	S	*	*			trans	14.7	102.3	143	-66.1	175.5	-16.8	0	0	118.4
488	L	28	Very low	26.9	Very low	178 Å²	178	141.9 Å²	141.9	93%	0.932	75%	0.745	S	S	*	*				-146.8	146.9	117.3	-142.1	74.3	0	0	0	110
489	V	24.8	Very low	27	Very low	122 Å²	122	140.1 Å²	140.1	74%	0.739	75%	0.746	S	S	*	*			trans	-114.1	127.6	-165.1	171.9	0	0	0	0	110.3
490	I	28.1	Very low	27	Very low	166 Å²	166	133.9 Å²	133.9	85%	0.851	74%	0.736	S	S	*	*			trans	-149.2	132.2	137.5	-59.3	-167.4	0	0	0	107.7
491	P	26.7	Very low	27.2	Very low	109 Å²	109	133.6 Å²	133.6	71%	0.708	74%	0.739	S	S	*	*			trans	-99.8	155.8	-167.9	37.8	-35.4	0	0	0	115.2
492	S	23.4	Very low	27.4	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	74%	0.735	S	S	*	*			trans	-82	149.3	160.7	56.1	0	0	0	0	111.4
493	K	30.3	Very low	27.5	Very low	208 Å²	208	135.9 Å²	135.9	90%	0.904	74%	0.742	S	S	*	*			trans	-165.9	128.4	157.1	-115.2	166.7	-172	179.5	0	113.4
494	S	26.2	Very low	27.8	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	73%	0.731	S	S	*	*			trans	-77.8	152.4	157.6	43.4	0	0	0	0	111.1
495	S	24.2	Very low	28	Very low	106 Å²	106	135 Å²	135	74%	0.741	75%	0.749	S	S	*	*			trans	4.9	118.6	156.2	56.7	0	0	0	0	119.6
496	I	28.2	Very low	28	Very low	155 Å²	155	142 Å²	142	80%	0.795	77%	0.77	S	S	*	*			trans	-170.1	103.4	135.4	-89.5	142.3	0	0	0	103.7
497	L	26.6	Very low	28.1	Very low	136 Å²	136	142.9 Å²	142.9	71%	0.712	77%	0.773	S	S	*	*				73	127	95.1	-131.3	86.4	0	0	0	113.9
498	E	25.5	Very low	28.1	Very low	157 Å²	157	140.1 Å²	140.1	73%	0.734	76%	0.758	S	S	*	*			trans	58.2	105.7	153.2	-73.6	166.7	-167.3	0	0	120.5
499	T	27.3	Very low	28.3	Very low	129 Å²	129	139.6 Å²	139.6	79%	0.791	76%	0.755	S	S	*	*				170.9	129.9	91	35.5	0	0	0	0	114.2
500	S	26.6	Very low	28.4	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	75%	0.754	S	S	*	*			trans	46.3	140.5	144.3	62.3	0	0	0	0	124.9
501	S	29.6	Very low	28.7	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	75%	0.751	S	S	*	*			trans	75.7	136.8	147.1	75.7	0	0	0	0	117.9
502	N	31.4	Very low	28.9	Very low	130 Å²	130	140.2 Å²	140.2	70%	0.695	75%	0.749	S	S	*	*			cis	-153.8	134	-0.9	-99	-21.6	0	0	0	111.3
503	F	29.1	Very low	29.3	Very low	179 Å²	179	140.8 Å²	140.8	79%	0.785	74%	0.743	S	S	*	*			trans	46.8	166.6	137.8	-74.5	-69.6	0	0	0	123.4
504	P	34.1	Very low	29.3	Very low	97 Å²	97	138.3 Å²	138.3	63%	0.63	74%	0.735	S	S	*	*			cis	-135.4	151.1	-21.1	28.9	-8.7	0	0	0	116.2
505	N	32.6	Very low	29.5	Very low	142 Å²	142	142.3 Å²	142.3	76%	0.759	74%	0.744	S	S	*	*			trans	62.5	163.1	138.2	-64	-17.7	0	0	0	121.9
506	R	27.3	Very low	29.8	Very low	220 Å²	220	140.7 Å²	140.7	83%	0.83	75%	0.745	S	S	*	*			cis	-179.9	140.6	-33.9	-169.6	178.4	-163	-161.6	5.9	105.5
507	I	33	Very low	29.8	Very low	166 Å²	166	138.5 Å²	138.5	85%	0.851	74%	0.743	S	S	*	*			trans	160.2	118	146	-83.2	152.3	0	0	0	107.2
508	K	27	Very low	30	Very low	126 Å²	126	139.2 Å²	139.2	55%	0.548	75%	0.747	S	S	.	*			trans	-126.7	155.7	163.6	-84.8	166.9	169.1	172.8	0	106.5	E1148	K508-E1148 WeakPolarHBondContact CD-OE1 3.47Å; K508-E1148 WeakPolarHBondContact CD-OE2 3.48Å; K508-E1148 WeakPolarHBondContact CE-OE2 3.38Å; K508-E1148 IonicContact NZ-OE1 3.84Å; K508-E1148 PolarHBondContact NZ-OE1 2.95Å; K508-E1148 IonicContact NZ-OE2 2.91Å; K508-E1148 PolarHBondContact NZ-OE2 3.28Å
509	L	31.5	Very low	30.3	Very low	167 Å²	167	137.5 Å²	137.5	87%	0.874	74%	0.742	S	S	*	*			trans	-153.7	138.6	141.8	-111.9	137.2	0	0	0	109.4
510	N	28.6	Very low	30.7	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	74%	0.737	S	S	*	*			trans	-96.9	-173	-178.4	-82.3	-18.6	0	0	0	110.5
511	Q	34.1	Very low	30.9	Very low	169 Å²	169	139 Å²	139	79%	0.79	74%	0.743	S	S	*	*			trans	97.1	137.3	160.3	-55.3	-172.2	-10.3	0	0	115
512	T	31.3	Very low	31.2	Very low	108 Å²	108	139.1 Å²	139.1	66%	0.663	74%	0.741	S	S	*	*			cis	-163.1	156.3	-11.1	14.7	0	0	0	0	111
513	N	30.2	Very low	31.3	Very low	125 Å²	125	141.1 Å²	141.1	67%	0.668	75%	0.746	S	S	*	*			trans	67.1	127.2	141.2	-68.3	21.7	0	0	0	124.1
514	E	30.3	Very low	31.3	Very low	155 Å²	155	139.9 Å²	139.9	72%	0.724	75%	0.747	S	S	*	*				98.7	140.4	125.3	-82.5	169.8	-131.1	0	0	122.9
515	M	31.5	Very low	31.3	Very low	188 Å²	188	140.6 Å²	140.6	93%	0.926	75%	0.752	S	S	*	*			trans	63.5	136.6	175.4	-56	-177.7	-171.9	0	0	116.7
516	G	30.1	Very low	31.2	Very low	72 Å²	72	143.8 Å²	143.8	74%	0.742	76%	0.758	S	S	*	*			cis	163.8	122.4	-4.9	0	0	0	0	0	111.6
517	S	27.4	Very low	31.4	Very low	108 Å²	108	143 Å²	143	76%	0.755	76%	0.761	S	S	*	*			trans	23.2	112.8	154.2	-176.8	0	0	0	0	120.5
518	L	32.4	Very low	31.4	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	77%	0.766	S	S	*	*				-171.1	125	116	-129.6	81.6	0	0	0	113.7
519	D	32	Very low	31.5	Very low	120 Å²	120	150.3 Å²	150.3	64%	0.642	78%	0.78	S	S	*	*			trans	45	124.1	130.9	-69.6	14.9	0	0	0	125.1
520	N	33.8	Very low	31.4	Very low	127 Å²	127	153.9 Å²	153.9	68%	0.679	78%	0.782	S	S	*	*				68.2	96.7	122.3	-59.2	-32.3	0	0	0	122.3
521	T	31.7	Very low	31.6	Very low	135 Å²	135	156.8 Å²	156.8	83%	0.828	79%	0.792	S	S	*	*				62.6	157.2	126.4	38.8	0	0	0	0	121.3
522	P	36.6	Very low	31.6	Very low	103 Å²	103	157.9 Å²	157.9	67%	0.669	80%	0.797	S	S	*	*			trans	-109	166.7	-142.2	41	-37.2	0	0	0	115.5
523	H	32.7	Very low	31.6	Very low	172 Å²	172	163.5 Å²	163.5	80%	0.796	81%	0.806	S	S	*	*				-179.2	152.6	125	-105.9	-80.1	0	0	0	114.1
524	L	29.9	Very low	31.7	Very low	152 Å²	152	166.2 Å²	166.2	80%	0.796	82%	0.819	S	S	*	*			trans	77.1	160.8	154.4	-107.3	75	0	0	0	119.3
525	P	33.5	Very low	32.2	Very low	113 Å²	113	166.6 Å²	166.6	73%	0.734	82%	0.819	S	S	*	*				-129.7	179.4	-88.5	41.9	-26.9	0	0	0	117	K527	P525-K527 PolarHBondContact O-N 2.7Å
526	K	29.3	Very low	33	Very low	208 Å²	208	160.6 Å²	160.6	90%	0.904	80%	0.796	S	S	*	*			trans	-53.2	114	-176.9	-57.4	164.7	-178.5	170.9	0	115.8
527	K	31.4	Very low	34.4	Very low	203 Å²	203	165.1 Å²	165.1	88%	0.883	80%	0.795	S	S	*	*			trans	179	99.4	133.1	-108.1	179.8	177	178.3	0	114.8	P525	P525-K527 PolarHBondContact O-N 2.7Å
528	K	33.3	Very low	35.9	Very low	219 Å²	219	167.8 Å²	167.8	95%	0.952	79%	0.793	S	S	*	*				-169	120.8	126.4	-110.6	176.6	179.3	-179.1	0	109
529	R	29.4	Very low	37.2	Very low	227 Å²	227	165.1 Å²	165.1	86%	0.857	78%	0.776	S	S	*	*			trans	-133.3	101.4	-171.6	-176.2	-167.9	-161.2	-175.8	8.6	108.6
530	R	30	Very low	39.1	Very low	243 Å²	243	162.8 Å²	162.8	92%	0.917	77%	0.766	S	S	*	*			trans	172.8	143	158.2	-98	156.9	-179.5	179.9	-1	106.7
531	E	33.3	Very low	41.1	Very low	193 Å²	193	162.2 Å²	162.2	90%	0.902	76%	0.76	S	S	*	*	S	Bend	trans	87.6	63	-174.8	-61.6	163.4	-146.4	0	0	116.9
532	Q	32.8	Very low	43.1	Very low	192 Å²	192	163.9 Å²	163.9	90%	0.897	75%	0.752	S	S	*	*			trans	-170.3	81.2	148.8	-106.4	169.3	18.9	0	0	108.3
533	R	31.3	Very low	44.9	Very low	226 Å²	226	163.9 Å²	163.9	85%	0.853	75%	0.746	S	S	*	*			trans	-141.3	70.3	175.1	-83.9	-168.8	171.3	-175.4	-5.6	110.9
534	L	32.8	Very low	47.2	Very low	182 Å²	182	159.7 Å²	159.7	95%	0.953	73%	0.728	S	S	*	*			trans	-131.5	54.2	158	-121.1	98.9	0	0	0	108.8
535	F	40.7	Very low	49.6	Very low	163 Å²	163	158.8 Å²	158.8	72%	0.715	72%	0.72	S	S	*	*			trans	-70.8	133.3	173.4	-122.4	-100.2	0	0	0	109	Q539	F535-Q539 HydrophobicContact CD1-CB 4.25Å; F535-Q539 VanDerWaalsContact CE1-OE1 3.29Å
536	S	48.2	Very low	51.6	Low	63 Å²	63	155.6 Å²	155.6	44%	0.441	70%	0.7	S	S	.	*			trans	-61.7	137.2	-166.5	180	0	0	0	0	112.5	K538 Q539 T540	S536-K538 PolarHBondContact O-N 3.05Å; S536-K538 VanDerWaalsContact O-N 3.08Å; S536-Q539 WeakPolarHBondContact O-CB 3.39Å; S536-Q539 PolarHBondContact O-N 2.87Å; S536-T540 PolarHBondContact O-N 2.64Å; S536-T540 PolarHBondContact O-OG1 2.83Å
537	K	58.9	Low	54	Low	167 Å²	167	150.5 Å²	150.5	73%	0.726	68%	0.682	S	S	*	*	H	α-helix	trans	-51.5	-35.3	-179.5	-154.6	178	-177.8	-172.8	0	112.6	T540 E541	K537-T540 WeakPolarHBondContact O-CB 3.45Å; K537-T540 PolarHBondContact O-N 3.46Å; K537-T540 PolarHBondContact O-OG1 2.88Å; K537-E541 PolarHBondContact O-N 3.04Å; K537-E541 VanDerWaalsContact O-N 3.09Å
538	K	60.5	Low	56.4	Low	164 Å²	164	145.8 Å²	145.8	71%	0.713	66%	0.664	S	S	*	*	H	α-helix	trans	-66.7	-34.4	175.8	-69	-172	174.7	-174.8	0	114.1	S536 T540 Y542	S536-K538 PolarHBondContact O-N 3.05Å; S536-K538 VanDerWaalsContact O-N 3.08Å; K538-T540 VanDerWaalsContact C-N 3.29Å; K538-Y542 PolarHBondContact O-N 3.49Å; K538-Y542 VanDerWaalsContact O-N 3.11Å
539	Q	59.6	Low	58.6	Low	96 Å²	96	139 Å²	139	45%	0.449	64%	0.644	S	S	.	*	H	α-helix	trans	-72.8	-28	174.7	-71.5	172.3	-51.1	0	0	111.2	F535 S536 L543	F535-Q539 HydrophobicContact CD1-CB 4.25Å; F535-Q539 VanDerWaalsContact CE1-OE1 3.29Å; S536-Q539 WeakPolarHBondContact O-CB 3.39Å; S536-Q539 PolarHBondContact O-N 2.87Å; Q539-L543 WeakPolarHBondContact O-CB 3.48Å; Q539-L543 WeakPolarHBondContact O-CG 3.39Å; Q539-L543 PolarHBondContact O-N 3.3Å; Q539-L543 VanDerWaalsContact O-N 3.15Å
540	T	70.4	Confident	61.1	Low	70 Å²	70	133.1 Å²	133.1	43%	0.429	63%	0.628	S	S	.	*	H	α-helix	trans	-68.3	-45.3	172.4	-25	0	0	0	0	111	S536 K537 K538 Y542 L543 I544	S536-T540 PolarHBondContact O-N 2.64Å; S536-T540 PolarHBondContact O-OG1 2.83Å; K537-T540 WeakPolarHBondContact O-CB 3.45Å; K537-T540 PolarHBondContact O-N 3.46Å; K537-T540 PolarHBondContact O-OG1 2.88Å; K538-T540 VanDerWaalsContact C-N 3.29Å; T540-Y542 PolarHBondContact O-N 2.69Å; T540-L543 PolarHBondContact O-N 2.89Å; T540-I544 HydrophobicContact CG2-CD1 4.45Å; T540-I544 VanDerWaalsContact O-CG1 3.28Å; T540-I544 WeakPolarHBondContact O-CG1 3.44Å; T540-I544 PolarHBondContact O-N 3.14Å
541	E	77.1	Confident	63.7	Low	115 Å²	115	125.7 Å²	125.7	54%	0.537	61%	0.606	S	S	.	*	H	α-helix	trans	-60.3	-43.6	175.8	-72.4	165.7	-176.7	0	0	112.4	K537 L543 I544 H545	K537-E541 PolarHBondContact O-N 3.04Å; K537-E541 VanDerWaalsContact O-N 3.09Å; E541-L543 PolarHBondContact O-N 2.68Å; E541-I544 PolarHBondContact O-N 3.2Å; E541-H545 PolarHBondContact O-N 3.49Å
542	Y	74.1	Confident	65.9	Low	171 Å²	171	121.3 Å²	121.3	67%	0.671	59%	0.589	S	S	*	*	H	α-helix	trans	-63	-40.1	175.5	-176.4	-94.3	0	0	0	113	K538 T540 S546	K538-Y542 PolarHBondContact O-N 3.49Å; K538-Y542 VanDerWaalsContact O-N 3.11Å; T540-Y542 PolarHBondContact O-N 2.69Å; Y542-S546 WeakPolarHBondContact O-CB 3.4Å; Y542-S546 PolarHBondContact O-N 3.16Å; Y542-S546 PolarHBondContact O-OG 3.22Å
543	L	73.9	Confident	68	Low	103 Å²	103	115.1 Å²	115.1	54%	0.539	57%	0.567	S	S	.	*	H	α-helix	trans	-67.6	-37	175.7	-79.6	170.8	0	0	0	112.5	Q539 T540 E541 S546 L547	Q539-L543 WeakPolarHBondContact O-CB 3.48Å; Q539-L543 WeakPolarHBondContact O-CG 3.39Å; Q539-L543 PolarHBondContact O-N 3.3Å; Q539-L543 VanDerWaalsContact O-N 3.15Å; T540-L543 PolarHBondContact O-N 2.89Å; E541-L543 PolarHBondContact O-N 2.68Å; L543-S546 PolarHBondContact O-N 2.9Å; L543-L547 WeakPolarHBondContact O-CB 3.47Å; L543-L547 VanDerWaalsContact O-CG 3.3Å; L543-L547 WeakPolarHBondContact O-CG 3.3Å; L543-L547 PolarHBondContact O-N 3.27Å
544	I	81.3	Confident	70.3	Confident	83 Å²	83	108.4 Å²	108.4	43%	0.426	55%	0.547	S	S	.	.	H	α-helix	trans	-62	-52.2	174.7	-70.1	162.1	0	0	0	109.9	T540 E541 S546 L547 E548	T540-I544 HydrophobicContact CG2-CD1 4.45Å; T540-I544 VanDerWaalsContact O-CG1 3.28Å; T540-I544 WeakPolarHBondContact O-CG1 3.44Å; T540-I544 PolarHBondContact O-N 3.14Å; E541-I544 PolarHBondContact O-N 3.2Å; I544-S546 VanDerWaalsContact C-N 3.27Å; I544-S546 PolarHBondContact O-N 3.15Å; I544-L547 PolarHBondContact O-N 3.07Å; I544-L547 VanDerWaalsContact O-N 3.07Å; I544-E548 HydrophobicContact CG2-CG 4.45Å; I544-E548 WeakPolarHBondContact O-CG 3.31Å; I544-E548 PolarHBondContact O-N 2.95Å
545	H	79	Confident	72.6	Confident	133 Å²	133	105.4 Å²	105.4	62%	0.616	53%	0.528	S	S	*	.	H	α-helix	trans	-62.4	-34.1	179	-168.5	-79	0	0	0	112.7	E541 S549	E541-H545 PolarHBondContact O-N 3.49Å; H545-S549 WeakPolarHBondContact O-CB 3.14Å; H545-S549 PolarHBondContact O-N 3.24Å
546	S	75.1	Confident	74.4	Confident	47 Å²	47	104.4 Å²	104.4	33%	0.329	52%	0.523	S	S	.	.	H	α-helix	trans	-67.5	-39.1	174.1	-58.5	0	0	0	0	112.2	Y542 L543 I544 L550	Y542-S546 WeakPolarHBondContact O-CB 3.4Å; Y542-S546 PolarHBondContact O-N 3.16Å; Y542-S546 PolarHBondContact O-OG 3.22Å; L543-S546 PolarHBondContact O-N 2.9Å; I544-S546 VanDerWaalsContact C-N 3.27Å; I544-S546 PolarHBondContact O-N 3.15Å; S546-L550 PolarHBondContact O-N 3.4Å; S546-L550 VanDerWaalsContact O-N 3.1Å
547	L	80.6	Confident	75.6	Confident	100 Å²	100	105.9 Å²	105.9	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-70.5	-40.7	176.1	-76	167.2	0	0	0	112.1	L543 I544 S549 L550 I551	L543-L547 WeakPolarHBondContact O-CB 3.47Å; L543-L547 VanDerWaalsContact O-CG 3.3Å; L543-L547 WeakPolarHBondContact O-CG 3.3Å; L543-L547 PolarHBondContact O-N 3.27Å; I544-L547 PolarHBondContact O-N 3.07Å; I544-L547 VanDerWaalsContact O-N 3.07Å; L547-S549 VanDerWaalsContact C-N 3.34Å; L547-S549 PolarHBondContact O-N 3.33Å; L547-L550 WeakPolarHBondContact O-CB 3.3Å; L547-L550 PolarHBondContact O-N 3.29Å; L547-L550 VanDerWaalsContact O-N 3.15Å; L547-I551 VanDerWaalsContact O-CG1 3.3Å; L547-I551 WeakPolarHBondContact O-CG1 3.38Å; L547-I551 PolarHBondContact O-N 2.77Å
548	E	82.8	Confident	76.4	Confident	105 Å²	105	102.4 Å²	102.4	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-61.4	-42.5	174.3	-72.4	172.8	168.3	0	0	111.3	I544 L550 I551 N552	I544-E548 HydrophobicContact CG2-CG 4.45Å; I544-E548 WeakPolarHBondContact O-CG 3.31Å; I544-E548 PolarHBondContact O-N 2.95Å; E548-L550 VanDerWaalsContact C-N 3.31Å; E548-L550 PolarHBondContact O-N 2.74Å; E548-I551 PolarHBondContact O-N 2.85Å; E548-N552 WeakPolarHBondContact O-CB 3.39Å; E548-N552 VanDerWaalsContact O-CG 3.28Å; E548-N552 PolarHBondContact O-N 3.23Å; E548-N552 PolarHBondContact O-ND2 2.97Å
549	S	79.4	Confident	77.2	Confident	76 Å²	76	100.4 Å²	100.4	53%	0.531	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-35.5	173.1	-171.1	0	0	0	0	113	H545 L547 S553	H545-S549 WeakPolarHBondContact O-CB 3.14Å; H545-S549 PolarHBondContact O-N 3.24Å; L547-S549 VanDerWaalsContact C-N 3.34Å; L547-S549 PolarHBondContact O-N 3.33Å; S549-S553 PolarHBondContact O-N 2.82Å
550	L	81.4	Confident	77.8	Confident	103 Å²	103	99.5 Å²	99.5	54%	0.539	51%	0.505	S	S	.	.	H	α-helix	trans	-69.6	-45	176.6	-167.3	84.2	0	0	0	111.2	S546 L547 E548 S553 I554	S546-L550 PolarHBondContact O-N 3.4Å; S546-L550 VanDerWaalsContact O-N 3.1Å; L547-L550 WeakPolarHBondContact O-CB 3.3Å; L547-L550 PolarHBondContact O-N 3.29Å; L547-L550 VanDerWaalsContact O-N 3.15Å; E548-L550 VanDerWaalsContact C-N 3.31Å; E548-L550 PolarHBondContact O-N 2.74Å; L550-S553 PolarHBondContact O-N 3.37Å; L550-S553 VanDerWaalsContact O-N 3.16Å; L550-I554 HydrophobicContact CD2-CD1 4.19Å; L550-I554 HydrophobicContact CG-CD1 4.04Å; L550-I554 WeakPolarHBondContact O-CG1 3.37Å; L550-I554 PolarHBondContact O-N 2.82Å
551	I	83.6	Confident	77.6	Confident	88 Å²	88	100.9 Å²	100.9	45%	0.451	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-50	177.8	-70.4	164	0	0	0	110.1	L547 E548 S553 I554 E555	L547-I551 VanDerWaalsContact O-CG1 3.3Å; L547-I551 WeakPolarHBondContact O-CG1 3.38Å; L547-I551 PolarHBondContact O-N 2.77Å; E548-I551 PolarHBondContact O-N 2.85Å; I551-S553 PolarHBondContact O-N 2.9Å; I551-I554 PolarHBondContact O-N 2.78Å; I551-E555 HydrophobicContact CG2-CG 4.48Å; I551-E555 PolarHBondContact O-N 2.9Å
552	N	80.4	Confident	77.3	Confident	100 Å²	100	100.4 Å²	100.4	54%	0.535	51%	0.508	S	S	.	.	H	α-helix	trans	-58.6	-34.7	176.8	-70.8	-26.8	0	0	0	112.7	E548 K556	E548-N552 WeakPolarHBondContact O-CB 3.39Å; E548-N552 VanDerWaalsContact O-CG 3.28Å; E548-N552 PolarHBondContact O-N 3.23Å; E548-N552 PolarHBondContact O-ND2 2.97Å; N552-K556 WeakPolarHBondContact O-CB 3.49Å; N552-K556 PolarHBondContact O-N 3.49Å; N552-K556 VanDerWaalsContact O-N 3.15Å
553	S	77.5	Confident	77	Confident	62 Å²	62	96 Å²	96	43%	0.434	50%	0.495	S	S	.	.	H	α-helix	trans	-73.1	-35.5	176	-165.7	0	0	0	0	112.8	S549 L550 I551 N557	S549-S553 PolarHBondContact O-N 2.82Å; L550-S553 PolarHBondContact O-N 3.37Å; L550-S553 VanDerWaalsContact O-N 3.16Å; I551-S553 PolarHBondContact O-N 2.9Å; S553-N557 PolarHBondContact O-N 3.36Å; S553-N557 VanDerWaalsContact O-N 3.11Å
554	I	79	Confident	76.6	Confident	85 Å²	85	97.4 Å²	97.4	44%	0.436	50%	0.499	S	S	.	.	H	α-helix	trans	-69.7	-44.5	176.4	-69.1	165.4	0	0	0	110.2	L550 I551 K556 N557 N558	L550-I554 HydrophobicContact CD2-CD1 4.19Å; L550-I554 HydrophobicContact CG-CD1 4.04Å; L550-I554 WeakPolarHBondContact O-CG1 3.37Å; L550-I554 PolarHBondContact O-N 2.82Å; I551-I554 PolarHBondContact O-N 2.78Å; I554-K556 VanDerWaalsContact C-N 3.33Å; I554-K556 PolarHBondContact O-N 3.49Å; I554-N557 PolarHBondContact O-N 3.06Å; I554-N558 WeakPolarHBondContact O-CB 3.37Å; I554-N558 VanDerWaalsContact O-CG 3.28Å; I554-N558 PolarHBondContact O-N 2.86Å; I554-N558 PolarHBondContact O-ND2 3.2Å
555	E	80.8	Confident	75.8	Confident	120 Å²	120	97.6 Å²	97.6	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-60.4	-42.2	176	-72	-174.7	169.5	0	0	111.9	I551 N558 F559	I551-E555 HydrophobicContact CG2-CG 4.48Å; I551-E555 PolarHBondContact O-N 2.9Å; E555-N558 PolarHBondContact O-N 3.29Å; E555-F559 WeakPolarHBondContact O-CB 3.5Å; E555-F559 PolarHBondContact O-N 2.72Å
556	K	78.9	Confident	75.2	Confident	141 Å²	141	96.5 Å²	96.5	61%	0.613	49%	0.494	S	S	*	.	H	α-helix	trans	-64.7	-40.3	176.4	-170.9	174.7	-178.9	180	0	112.9	N552 I554 F559 N560	N552-K556 WeakPolarHBondContact O-CB 3.49Å; N552-K556 PolarHBondContact O-N 3.49Å; N552-K556 VanDerWaalsContact O-N 3.15Å; I554-K556 VanDerWaalsContact C-N 3.33Å; I554-K556 PolarHBondContact O-N 3.49Å; K556-F559 PolarHBondContact O-N 2.69Å; K556-N560 PolarHBondContact O-N 2.97Å; K556-N560 VanDerWaalsContact O-N 3.08Å
557	N	72.7	Confident	74.7	Confident	94 Å²	94	101.2 Å²	101.2	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-67.5	-41.8	175.7	-77.3	-1.1	0	0	0	111.6	S553 I554 F559 N560 L561	S553-N557 PolarHBondContact O-N 3.36Å; S553-N557 VanDerWaalsContact O-N 3.11Å; I554-N557 PolarHBondContact O-N 3.06Å; N557-F559 VanDerWaalsContact C-N 3.33Å; N557-F559 PolarHBondContact O-N 3.18Å; N557-N560 PolarHBondContact O-N 3.44Å; N557-L561 PolarHBondContact O-N 3.11Å
558	N	76.3	Confident	73.5	Confident	94 Å²	94	99.5 Å²	99.5	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-61.7	-39.4	174.6	-71.6	-18.4	0	0	0	112	I554 E555 L561 E562	I554-N558 WeakPolarHBondContact O-CB 3.37Å; I554-N558 VanDerWaalsContact O-CG 3.28Å; I554-N558 PolarHBondContact O-N 2.86Å; I554-N558 PolarHBondContact O-ND2 3.2Å; E555-N558 PolarHBondContact O-N 3.29Å; N558-L561 PolarHBondContact O-N 3.28Å; N558-E562 PolarHBondContact O-N 3.15Å
559	F	77.5	Confident	71.8	Confident	122 Å²	122	98 Å²	98	54%	0.535	50%	0.5	S	S	.	.	H	α-helix	trans	-65.5	-40.5	176.3	-175	-100.2	0	0	0	112.7	E555 K556 N557 E562 L563	E555-F559 WeakPolarHBondContact O-CB 3.5Å; E555-F559 PolarHBondContact O-N 2.72Å; K556-F559 PolarHBondContact O-N 2.69Å; N557-F559 VanDerWaalsContact C-N 3.33Å; N557-F559 PolarHBondContact O-N 3.18Å; F559-E562 PolarHBondContact O-N 3.08Å; F559-L563 HydrophobicContact CD1-CD1 3.93Å; F559-L563 HydrophobicContact CE1-CD1 3.58Å; F559-L563 HydrophobicContact CE1-CG 4.26Å; F559-L563 HydrophobicContact CZ-CD1 4.27Å; F559-L563 WeakPolarHBondContact O-CG 3.28Å; F559-L563 PolarHBondContact O-N 2.84Å
560	N	71.4	Confident	70.4	Confident	77 Å²	77	101 Å²	101	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-42.1	173.1	-75.2	-8.9	0	0	0	111.8	K556 N557 E562 L563 E564	K556-N560 PolarHBondContact O-N 2.97Å; K556-N560 VanDerWaalsContact O-N 3.08Å; N557-N560 PolarHBondContact O-N 3.44Å; N560-E562 VanDerWaalsContact C-N 3.33Å; N560-E562 PolarHBondContact O-N 2.9Å; N560-L563 WeakPolarHBondContact O-CB 3.4Å; N560-L563 PolarHBondContact O-N 3.46Å; N560-L563 VanDerWaalsContact O-N 3.09Å; N560-E564 PolarHBondContact O-N 3.37Å
561	L	66.7	Low	68.7	Low	100 Å²	100	101.8 Å²	101.8	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-37.1	175.2	-116.3	131.4	0	0	0	112.2	N557 N558 L563 L565	N557-L561 PolarHBondContact O-N 3.11Å; N558-L561 PolarHBondContact O-N 3.28Å; L561-L563 VanDerWaalsContact C-N 3.31Å; L561-L563 PolarHBondContact O-N 2.9Å; L561-L565 HydrophobicContact CD2-CD1 4.43Å; L561-L565 VanDerWaalsContact O-CB 3.23Å; L561-L565 WeakPolarHBondContact O-CB 3.31Å; L561-L565 VanDerWaalsContact O-CG 3.3Å; L561-L565 WeakPolarHBondContact O-CG 3.48Å; L561-L565 PolarHBondContact O-N 3.34Å
562	E	69.8	Low	66.9	Low	105 Å²	105	102 Å²	102	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-64.5	-32.6	170.8	-90.5	-158.2	-165.2	0	0	113.2	N558 F559 N560 K566	N558-E562 PolarHBondContact O-N 3.15Å; F559-E562 PolarHBondContact O-N 3.08Å; N560-E562 VanDerWaalsContact C-N 3.33Å; N560-E562 PolarHBondContact O-N 2.9Å; E562-K566 WeakPolarHBondContact O-CB 3.42Å; E562-K566 WeakPolarHBondContact O-CD 3.43Å; E562-K566 WeakPolarHBondContact O-CG 3.36Å; E562-K566 PolarHBondContact O-N 3.08Å; E562-K566 IonicContact OE2-NZ 3.43Å; E562-K566 PolarHBondContact OE2-NZ 2.89Å
563	L	69	Low	65	Low	78 Å²	78	100.4 Å²	100.4	41%	0.408	50%	0.502	S	S	.	.	H	α-helix	trans	-71.5	-48.2	175.7	-74.8	170.5	0	0	0	111.2	F559 N560 L561 L565 K566 E567	F559-L563 HydrophobicContact CD1-CD1 3.93Å; F559-L563 HydrophobicContact CE1-CD1 3.58Å; F559-L563 HydrophobicContact CE1-CG 4.26Å; F559-L563 HydrophobicContact CZ-CD1 4.27Å; F559-L563 WeakPolarHBondContact O-CG 3.28Å; F559-L563 PolarHBondContact O-N 2.84Å; N560-L563 WeakPolarHBondContact O-CB 3.4Å; N560-L563 PolarHBondContact O-N 3.46Å; N560-L563 VanDerWaalsContact O-N 3.09Å; L561-L563 VanDerWaalsContact C-N 3.31Å; L561-L563 PolarHBondContact O-N 2.9Å; L563-L565 VanDerWaalsContact C-N 3.29Å; L563-L565 PolarHBondContact O-N 3.39Å; L563-K566 WeakPolarHBondContact O-CA 3.38Å; L563-K566 PolarHBondContact O-N 2.93Å; L563-E567 PolarHBondContact O-N 3.19Å
564	E	65.6	Low	63.4	Low	132 Å²	132	103 Å²	103	62%	0.617	51%	0.511	S	S	*	.	H	α-helix	trans	-60.9	-38.5	173.9	-70.3	-174.2	166.6	0	0	111.7	N560 E567 T568	N560-E564 PolarHBondContact O-N 3.37Å; E564-E567 PolarHBondContact O-N 3.3Å; E564-T568 WeakPolarHBondContact O-CB 3.34Å; E564-T568 WeakPolarHBondContact O-CG2 3.23Å; E564-T568 PolarHBondContact O-N 2.87Å; E564-T568 PolarHBondContact O-OG1 3.03Å
565	L	63.8	Low	61.5	Low	88 Å²	88	104.6 Å²	104.6	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-65.5	-34.4	171.6	-79.4	167.8	0	0	0	112.2	L561 L563 T568 N569	L561-L565 HydrophobicContact CD2-CD1 4.43Å; L561-L565 VanDerWaalsContact O-CB 3.23Å; L561-L565 WeakPolarHBondContact O-CB 3.31Å; L561-L565 VanDerWaalsContact O-CG 3.3Å; L561-L565 WeakPolarHBondContact O-CG 3.48Å; L561-L565 PolarHBondContact O-N 3.34Å; L563-L565 VanDerWaalsContact C-N 3.29Å; L563-L565 PolarHBondContact O-N 3.39Å; L565-T568 WeakPolarHBondContact CA-OG1 3.49Å; L565-T568 PolarHBondContact O-OG1 2.77Å; L565-N569 WeakPolarHBondContact O-CB 3.48Å; L565-N569 VanDerWaalsContact O-CG 3.25Å; L565-N569 PolarHBondContact O-N 3.44Å; L565-N569 PolarHBondContact O-ND2 2.86Å
566	K	67	Low	59.5	Low	110 Å²	110	103 Å²	103	48%	0.478	52%	0.515	S	S	.	.	H	α-helix	trans	-71.1	-37.9	175	-78.7	161.9	-169.1	152.3	0	112.2	E562 L563 H570	E562-K566 WeakPolarHBondContact O-CB 3.42Å; E562-K566 WeakPolarHBondContact O-CD 3.43Å; E562-K566 WeakPolarHBondContact O-CG 3.36Å; E562-K566 PolarHBondContact O-N 3.08Å; E562-K566 IonicContact OE2-NZ 3.43Å; E562-K566 PolarHBondContact OE2-NZ 2.89Å; L563-K566 WeakPolarHBondContact O-CA 3.38Å; L563-K566 PolarHBondContact O-N 2.93Å; K566-H570 PolarHBondContact O-N 3.41Å
567	E	65.2	Low	57.5	Low	145 Å²	145	103.9 Å²	103.9	68%	0.678	52%	0.519	S	S	*	.	H	α-helix	trans	-68	-48.3	175	-70	-170.6	158.9	0	0	111.9	L563 E564 H570 L571	L563-E567 PolarHBondContact O-N 3.19Å; E564-E567 PolarHBondContact O-N 3.3Å; E567-H570 WeakPolarHBondContact O-CB 3.17Å; E567-H570 PolarHBondContact O-N 2.91Å; E567-H570 VanDerWaalsContact O-N 3.1Å; E567-L571 PolarHBondContact O-N 3.17Å
568	T	53.8	Low	55.9	Low	65 Å²	65	108 Å²	108	40%	0.399	54%	0.536	S	S	.	.	H	α-helix	trans	-65.2	-39	175.9	52.5	0	0	0	0	112.2	E564 L565 H570 L571 L572	E564-T568 WeakPolarHBondContact O-CB 3.34Å; E564-T568 WeakPolarHBondContact O-CG2 3.23Å; E564-T568 PolarHBondContact O-N 2.87Å; E564-T568 PolarHBondContact O-OG1 3.03Å; L565-T568 WeakPolarHBondContact CA-OG1 3.49Å; L565-T568 PolarHBondContact O-OG1 2.77Å; T568-H570 PolarHBondContact O-N 3.22Å; T568-L571 PolarHBondContact O-N 3.05Å; T568-L571 VanDerWaalsContact O-N 3.15Å; T568-L572 WeakPolarHBondContact O-CG 3.44Å; T568-L572 PolarHBondContact O-N 3.1Å
569	N	47.6	Very low	53.8	Low	73 Å²	73	107.2 Å²	107.2	39%	0.39	54%	0.537	S	S	.	.	H	α-helix	trans	-66	-24.2	172.4	-82	-61.8	0	0	0	113	L565 N573	L565-N569 WeakPolarHBondContact O-CB 3.48Å; L565-N569 VanDerWaalsContact O-CG 3.25Å; L565-N569 PolarHBondContact O-N 3.44Å; L565-N569 PolarHBondContact O-ND2 2.86Å; N569-N573 WeakPolarHBondContact O-CB 3.34Å; N569-N573 PolarHBondContact O-N 2.82Å; N569-N573 PolarHBondContact O-ND2 2.6Å
570	H	50.8	Low	51.6	Low	140 Å²	140	108.8 Å²	108.8	65%	0.648	55%	0.55	S	S	*	*	H	α-helix	trans	-71.5	-35	172.2	-121.9	-73.3	0	0	0	112	K566 E567 T568 L574	K566-H570 PolarHBondContact O-N 3.41Å; E567-H570 WeakPolarHBondContact O-CB 3.17Å; E567-H570 PolarHBondContact O-N 2.91Å; E567-H570 VanDerWaalsContact O-N 3.1Å; T568-H570 PolarHBondContact O-N 3.22Å; H570-L574 WeakPolarHBondContact O-CD1 3.22Å; H570-L574 WeakPolarHBondContact O-CG 3.1Å; H570-L574 PolarHBondContact O-N 3.01Å
571	L	46.3	Very low	49.6	Very low	119 Å²	119	110.8 Å²	110.8	62%	0.623	57%	0.569	S	S	*	*	H	α-helix	trans	-74.6	-36.9	173	-66.7	171.7	0	0	0	112.6	E567 T568 L574	E567-L571 PolarHBondContact O-N 3.17Å; T568-L571 PolarHBondContact O-N 3.05Å; T568-L571 VanDerWaalsContact O-N 3.15Å; L571-L574 PolarHBondContact O-N 2.92Å
572	L	43.8	Very low	48	Very low	91 Å²	91	114.4 Å²	114.4	48%	0.476	58%	0.584	S	S	.	*	H	α-helix	trans	-71	-43.3	175.3	-73.1	159	0	0	0	111.7	T568 L574 N575 D576	T568-L572 WeakPolarHBondContact O-CG 3.44Å; T568-L572 PolarHBondContact O-N 3.1Å; L572-L574 PolarHBondContact O-N 3.19Å; L572-N575 WeakPolarHBondContact O-CA 3.43Å; L572-N575 PolarHBondContact O-N 3Å; L572-D576 PolarHBondContact O-N 2.8Å
573	N	42.2	Very low	46.1	Very low	67 Å²	67	118 Å²	118	36%	0.358	60%	0.6	S	S	.	*	H	α-helix	trans	-64	-20.9	174.2	-87.9	-88.2	0	0	0	113.6	N569 N575 K577	N569-N573 WeakPolarHBondContact O-CB 3.34Å; N569-N573 PolarHBondContact O-N 2.82Å; N569-N573 PolarHBondContact O-ND2 2.6Å; N573-N575 VanDerWaalsContact C-N 3.31Å; N573-K577 HydrophobicContact CB-CD 4.5Å; N573-K577 WeakPolarHBondContact O-CB 3.46Å; N573-K577 WeakPolarHBondContact O-CD 3.47Å; N573-K577 WeakPolarHBondContact O-CG 3.39Å; N573-K577 PolarHBondContact O-N 3.44Å; N573-K577 VanDerWaalsContact O-N 3.12Å
574	L	42.9	Very low	44.3	Very low	117 Å²	117	121.2 Å²	121.2	61%	0.613	62%	0.618	S	S	*	*	H	α-helix	trans	-72.8	-25.5	171.6	-82.3	164	0	0	0	112.4	H570 L571 L572	H570-L574 WeakPolarHBondContact O-CD1 3.22Å; H570-L574 WeakPolarHBondContact O-CG 3.1Å; H570-L574 PolarHBondContact O-N 3.01Å; L571-L574 PolarHBondContact O-N 2.92Å; L572-L574 PolarHBondContact O-N 3.19Å
575	N	38.9	Very low	42.6	Very low	118 Å²	118	119.8 Å²	119.8	63%	0.631	62%	0.62	S	S	*	*	H	α-helix	trans	-89.5	-38.4	173.8	-68.8	-28.7	0	0	0	112.3	L572 N573 Q578	L572-N575 WeakPolarHBondContact O-CA 3.43Å; L572-N575 PolarHBondContact O-N 3Å; N573-N575 VanDerWaalsContact C-N 3.31Å; N575-Q578 PolarHBondContact O-N 3.26Å
576	D	39.6	Very low	41	Very low	87 Å²	87	123.4 Å²	123.4	47%	0.465	64%	0.64	S	S	.	*	H	α-helix	trans	-77.3	-23.2	-179.2	-69.7	-35.9	0	0	0	113.7	L572 Q578 S579	L572-D576 PolarHBondContact O-N 2.8Å; D576-Q578 PolarHBondContact O-N 2.79Å; D576-S579 PolarHBondContact O-N 3.25Å; D576-S579 PolarHBondContact O-OG 2.67Å
577	K	37.5	Very low	39.4	Very low	160 Å²	160	126.2 Å²	126.2	70%	0.696	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	2.7	174	-72.5	176.9	-179.9	178	0	114.4	N573	N573-K577 HydrophobicContact CB-CD 4.5Å; N573-K577 WeakPolarHBondContact O-CB 3.46Å; N573-K577 WeakPolarHBondContact O-CD 3.47Å; N573-K577 WeakPolarHBondContact O-CG 3.39Å; N573-K577 PolarHBondContact O-N 3.44Å; N573-K577 VanDerWaalsContact O-N 3.12Å
578	Q	37.4	Very low	37.8	Very low	181 Å²	181	125.3 Å²	125.3	85%	0.846	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-0.1	164.4	-70.5	-169.7	-10.9	0	0	113.4	N575 D576	N575-Q578 PolarHBondContact O-N 3.26Å; D576-Q578 PolarHBondContact O-N 2.79Å
579	S	34	Very low	36.7	Very low	77 Å²	77	128.9 Å²	128.9	54%	0.538	67%	0.67	S	S	.	*	S	Bend	trans	-135.6	17.8	-171.4	60.3	0	0	0	0	115.6	D576	D576-S579 PolarHBondContact O-N 3.25Å; D576-S579 PolarHBondContact O-OG 2.67Å
580	L	31.2	Very low	35.9	Very low	154 Å²	154	132.6 Å²	132.6	81%	0.806	69%	0.69	S	S	*	*			trans	-147.3	76.5	176.8	-124.7	128.6	0	0	0	114.5
581	C	27.8	Very low	34.8	Very low	120 Å²	120	132.9 Å²	132.9	81%	0.811	70%	0.696	S	S	*	*			trans	-141.4	72.9	172.2	-86.6	0	0	0	0	112.2
582	Q	33.4	Very low	33.9	Very low	176 Å²	176	135 Å²	135	82%	0.822	70%	0.702	S	S	*	*			trans	-176.3	118.5	148.2	-105.7	162.9	18	0	0	111.2
583	Q	30.6	Very low	33.1	Very low	180 Å²	180	141.2 Å²	141.2	84%	0.841	72%	0.719	S	S	*	*			trans	51.5	132.5	149	-60	168.4	-8.3	0	0	118.3
584	N	30.4	Very low	32.3	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	74%	0.736	S	S	*	*			cis	-159.2	147.8	22.5	-144.5	12.7	0	0	0	108.9
585	P	30.1	Very low	31.5	Very low	102 Å²	102	144 Å²	144	66%	0.662	74%	0.743	S	S	*	*			trans	-85.8	144.9	178	34.5	-31.9	0	0	0	111.8
586	N	31.5	Very low	30.9	Very low	163 Å²	163	143.3 Å²	143.3	87%	0.872	75%	0.747	S	S	*	*			trans	175.4	142.3	144.6	-88.5	-23.6	0	0	0	111.5
587	H	31.7	Very low	30.3	Very low	169 Å²	169	146.9 Å²	146.9	78%	0.782	77%	0.766	S	S	*	*			trans	92.6	75	173.8	-82.7	-59.7	0	0	0	120.7
588	D	32.6	Very low	29.8	Very low	127 Å²	127	145.3 Å²	145.3	68%	0.679	77%	0.769	S	S	*	*				42	121	107.9	-59.6	-17.3	0	0	0	121.8
589	L	29.6	Very low	29.4	Very low	140 Å²	140	142.9 Å²	142.9	73%	0.733	77%	0.767	S	S	*	*				55	111.9	128.7	-60	165.1	0	0	0	117.4
590	N	31.9	Very low	29	Very low	150 Å²	150	149.3 Å²	149.3	80%	0.802	79%	0.785	S	S	*	*				-168.4	150	65.7	-87.9	-70.5	0	0	0	113.6
591	L	26.6	Very low	29.1	Very low	147 Å²	147	149.5 Å²	149.5	77%	0.77	79%	0.785	S	S	*	*			trans	-82.1	163.7	167.1	-99.8	95.6	0	0	0	112.7
592	H	28.4	Very low	29	Very low	163 Å²	163	152 Å²	152	76%	0.755	79%	0.785	S	S	*	*			trans	62.9	123.6	160.5	-78	-49.1	0	0	0	116.9
593	R	27.2	Very low	29	Very low	222 Å²	222	149.2 Å²	149.2	84%	0.838	78%	0.782	S	S	*	*				-172.3	141.3	61.3	-125.7	162.8	-176.2	173.9	1	111.9
594	N	24.9	Very low	28.9	Very low	135 Å²	135	150.3 Å²	150.3	72%	0.722	78%	0.784	S	S	*	*			trans	30.7	147.7	139	-57.6	2.9	0	0	0	123
595	S	26.7	Very low	28.8	Very low	106 Å²	106	146.5 Å²	146.5	74%	0.741	78%	0.78	S	S	*	*			trans	83.8	106.4	151.3	71.3	0	0	0	0	118.8
596	S	25.1	Very low	28.8	Very low	104 Å²	104	150.1 Å²	150.1	73%	0.727	79%	0.792	S	S	*	*			trans	23.3	113.6	132.5	58.8	0	0	0	0	118.7
597	L	28.1	Very low	28.5	Very low	163 Å²	163	150 Å²	150	85%	0.853	79%	0.792	S	S	*	*				-159	150.6	116.1	-132.2	75.9	0	0	0	112.6
598	T	26.5	Very low	28.6	Very low	126 Å²	126	148.7 Å²	148.7	77%	0.773	80%	0.796	S	S	*	*			trans	-77.9	130.3	172.7	54	0	0	0	0	111.3
599	T	30	Very low	28.3	Very low	130 Å²	130	151.6 Å²	151.6	80%	0.798	80%	0.803	S	S	*	*			trans	-154.1	132.4	150.5	21.1	0	0	0	0	112
600	K	25.7	Very low	28.3	Very low	213 Å²	213	154.1 Å²	154.1	93%	0.926	81%	0.81	S	S	*	*			trans	-66.5	126.4	173.1	-61.6	166.2	178.7	172.6	0	109.9
601	I	32.3	Very low	28.2	Very low	157 Å²	157	150.1 Å²	150.1	81%	0.805	80%	0.804	S	S	*	*			trans	-128.8	121.8	161.7	-59.8	-177.1	0	0	0	109
602	H	26.8	Very low	28.4	Very low	172 Å²	172	151.9 Å²	151.9	80%	0.796	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-96.6	127	-178.1	-135.6	-70.2	0	0	0	108.8
603	P	32.9	Very low	28.7	Very low	118 Å²	118	148.8 Å²	148.8	77%	0.766	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.3	134.1	159.8	-11.2	28.1	0	0	0	109.1
604	K	27.9	Very low	29.1	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-94.9	143.1	173.3	-72.2	176.3	176.8	174.8	0	110.2
605	G	27.6	Very low	29.3	Very low	67 Å²	67	146 Å²	146	69%	0.691	79%	0.791	S	S	*	*			trans	76.3	102.2	139	0	0	0	0	0	118.7
606	L	30	Very low	29.7	Very low	177 Å²	177	146.5 Å²	146.5	93%	0.927	79%	0.786	S	S	*	*			trans	-148.4	108.5	138.3	-112.9	153.6	0	0	0	108.6
607	N	26.2	Very low	30.3	Very low	160 Å²	160	147.1 Å²	147.1	86%	0.856	78%	0.777	S	S	*	*			trans	-90	119.1	-179.4	-77.9	-33.9	0	0	0	110.2
608	T	32.9	Very low	30.6	Very low	142 Å²	142	147.1 Å²	147.1	87%	0.871	77%	0.767	S	S	*	*			trans	-139	150	149.6	42.5	0	0	0	0	109.7
609	K	28.2	Very low	31	Very low	189 Å²	189	148 Å²	148	82%	0.822	76%	0.76	S	S	*	*			trans	-94.4	162	-157	-63.7	172.9	177	175.1	0	114
610	H	29.6	Very low	31.4	Very low	192 Å²	192	151.1 Å²	151.1	89%	0.889	76%	0.757	S	S	*	*			trans	91.3	131.7	167.5	-60.3	94.4	0	0	0	117.9
611	G	29.1	Very low	31.9	Very low	66 Å²	66	148.2 Å²	148.2	68%	0.68	74%	0.744	S	S	*	*			trans	124.5	65.2	-179.4	0	0	0	0	0	113.6	V613	G611-V613 PolarHBondContact O-N 3.37Å
612	I	29.7	Very low	32.3	Very low	184 Å²	184	143 Å²	143	94%	0.944	72%	0.722	S	S	*	*			trans	-74.9	84.8	167.6	-56.8	176.3	0	0	0	107.7
613	V	35.7	Very low	32.8	Very low	98 Å²	98	137.2 Å²	137.2	59%	0.594	70%	0.704	S	S	*	*			trans	-110.2	138.4	170.3	-177.2	0	0	0	0	107.8	G611 R615 Y618	G611-V613 PolarHBondContact O-N 3.37Å; V613-R615 PolarHBondContact O-N 3.04Å; V613-Y618 HydrophobicContact CG1-CE2 3.87Å
614	N	34.9	Very low	33.2	Very low	93 Å²	93	137.4 Å²	137.4	50%	0.497	70%	0.699	S	S	.	*			trans	-51.3	88.7	-169.3	-95.3	-26.4	0	0	0	114.3	N616 E617 Y618	N614-N616 PolarHBondContact O-N 3.45Å; N614-E617 HydrophobicContact CB-CB 3.86Å; N614-E617 HydrophobicContact CB-CG 3.83Å; N614-E617 WeakPolarHBondContact CB-OE2 3.47Å; N614-E617 PolarHBondContact ND2-OE2 2.97Å; N614-E617 PolarHBondContact O-N 3.44Å; N614-Y618 PolarHBondContact O-N 3.47Å; N614-Y618 VanDerWaalsContact O-N 3.11Å
615	R	30.6	Very low	33.8	Very low	206 Å²	206	133 Å²	133	78%	0.777	68%	0.684	S	S	*	*	H	α-helix	trans	-60.3	-19.2	174.5	-155.6	173.5	-169.6	172.5	4	112.3	V613 K619	V613-R615 PolarHBondContact O-N 3.04Å; R615-K619 VanDerWaalsContact O-CB 3.32Å; R615-K619 WeakPolarHBondContact O-CB 3.22Å; R615-K619 WeakPolarHBondContact O-CG 3.27Å; R615-K619 PolarHBondContact O-N 3.35Å
616	N	33.4	Very low	34.1	Very low	117 Å²	117	134.2 Å²	134.2	63%	0.626	68%	0.675	S	S	*	*	H	α-helix	trans	-83.5	-26.3	175.3	-64.6	-13.3	0	0	0	113.3	N614 R620	N614-N616 PolarHBondContact O-N 3.45Å; N616-R620 WeakPolarHBondContact O-CB 3.34Å; N616-R620 WeakPolarHBondContact O-CG 3.4Å; N616-R620 PolarHBondContact O-N 3.31Å
617	E	39.3	Very low	34.5	Very low	117 Å²	117	131.2 Å²	131.2	55%	0.547	66%	0.656	S	S	.	*	H	α-helix	trans	-79.6	-39.3	170.6	-72.7	-176.7	118.2	0	0	111	N614 K619 R620 K621	N614-E617 HydrophobicContact CB-CB 3.86Å; N614-E617 HydrophobicContact CB-CG 3.83Å; N614-E617 WeakPolarHBondContact CB-OE2 3.47Å; N614-E617 PolarHBondContact ND2-OE2 2.97Å; N614-E617 PolarHBondContact O-N 3.44Å; E617-K619 VanDerWaalsContact C-N 3.31Å; E617-K619 PolarHBondContact O-N 2.95Å; E617-R620 PolarHBondContact O-N 2.86Å; E617-R620 VanDerWaalsContact O-N 3.16Å; E617-K621 WeakPolarHBondContact O-CB 3.45Å; E617-K621 PolarHBondContact O-N 3.26Å
618	Y	33.2	Very low	35.1	Very low	162 Å²	162	129.3 Å²	129.3	64%	0.635	65%	0.645	S	S	*	*	H	α-helix	trans	-63.8	-36.4	170.2	-78	-84.5	0	0	0	111.9	V613 N614 S622	V613-Y618 HydrophobicContact CG1-CE2 3.87Å; N614-Y618 PolarHBondContact O-N 3.47Å; N614-Y618 VanDerWaalsContact O-N 3.11Å; Y618-S622 WeakPolarHBondContact O-CB 3.28Å; Y618-S622 PolarHBondContact O-N 2.68Å; Y618-S622 PolarHBondContact O-OG 2.8Å
619	K	35.1	Very low	35.4	Very low	144 Å²	144	126.6 Å²	126.6	63%	0.626	63%	0.625	S	S	*	*	H	α-helix	trans	-70.2	-28.8	170.2	-89.3	-171.2	168.7	-170.6	0	114.5	R615 E617 S622 A623	R615-K619 VanDerWaalsContact O-CB 3.32Å; R615-K619 WeakPolarHBondContact O-CB 3.22Å; R615-K619 WeakPolarHBondContact O-CG 3.27Å; R615-K619 PolarHBondContact O-N 3.35Å; E617-K619 VanDerWaalsContact C-N 3.31Å; E617-K619 PolarHBondContact O-N 2.95Å; K619-S622 PolarHBondContact O-OG 2.85Å; K619-A623 WeakPolarHBondContact O-CB 3.47Å; K619-A623 PolarHBondContact O-N 3.31Å
620	R	38.8	Very low	36	Very low	196 Å²	196	123.5 Å²	123.5	74%	0.74	61%	0.614	S	S	*	*	H	α-helix	trans	-78.6	-41.7	174	-86.5	-176.6	173.6	167.6	-1.8	112.3	N616 E617 A623 N624	N616-R620 WeakPolarHBondContact O-CB 3.34Å; N616-R620 WeakPolarHBondContact O-CG 3.4Å; N616-R620 PolarHBondContact O-N 3.31Å; E617-R620 PolarHBondContact O-N 2.86Å; E617-R620 VanDerWaalsContact O-N 3.16Å; R620-A623 PolarHBondContact O-N 3.37Å; R620-N624 PolarHBondContact O-N 2.83Å
621	K	36.7	Very low	36.5	Very low	152 Å²	152	119.7 Å²	119.7	66%	0.661	60%	0.595	S	S	*	*	H	α-helix	trans	-63.8	-42.8	171.1	-78.1	-168.3	171.6	-171.6	0	110.8	E617 N624 L625	E617-K621 WeakPolarHBondContact O-CB 3.45Å; E617-K621 PolarHBondContact O-N 3.26Å; K621-N624 PolarHBondContact O-N 3.09Å; K621-L625 VanDerWaalsContact O-CB 3.28Å; K621-L625 WeakPolarHBondContact O-CB 3.45Å; K621-L625 PolarHBondContact O-N 3.19Å
622	S	39.2	Very low	37.2	Very low	49 Å²	49	119.5 Å²	119.5	34%	0.343	58%	0.58	S	S	.	*	H	α-helix	trans	-70.4	-28.9	172.6	84.5	0	0	0	0	112.8	Y618 K619 N626	Y618-S622 WeakPolarHBondContact O-CB 3.28Å; Y618-S622 PolarHBondContact O-N 2.68Å; Y618-S622 PolarHBondContact O-OG 2.8Å; K619-S622 PolarHBondContact O-OG 2.85Å; S622-N626 WeakPolarHBondContact O-CA 3.07Å; S622-N626 WeakPolarHBondContact O-CB 3.26Å; S622-N626 PolarHBondContact O-N 2.88Å; S622-N626 PolarHBondContact O-OD1 3.42Å
623	A	38.2	Very low	37.9	Very low	50 Å²	50	117.3 Å²	117.3	41%	0.413	57%	0.566	S	S	.	*	H	α-helix	trans	-67.7	-41.7	172.8	0	0	0	0	0	111.3	K619 R620 H627	K619-A623 WeakPolarHBondContact O-CB 3.47Å; K619-A623 PolarHBondContact O-N 3.31Å; R620-A623 PolarHBondContact O-N 3.37Å; A623-H627 WeakPolarHBondContact O-CB 3.37Å; A623-H627 PolarHBondContact O-N 3.44Å
624	N	40	Very low	38.6	Very low	122 Å²	122	119.3 Å²	119.3	65%	0.652	57%	0.573	S	S	*	*	H	α-helix	trans	-74.4	-32.9	176.9	-72.4	10.3	0	0	0	112.7	R620 K621 L628	R620-N624 PolarHBondContact O-N 2.83Å; K621-N624 PolarHBondContact O-N 3.09Å; N624-L628 PolarHBondContact O-N 3.15Å
625	L	41.7	Very low	39.7	Very low	110 Å²	110	118.4 Å²	118.4	58%	0.576	56%	0.563	S	S	*	*	H	α-helix	trans	-67.2	-50.7	171.8	-149.7	76.7	0	0	0	109.7	K621 H627 L628 D629	K621-L625 VanDerWaalsContact O-CB 3.28Å; K621-L625 WeakPolarHBondContact O-CB 3.45Å; K621-L625 PolarHBondContact O-N 3.19Å; L625-H627 PolarHBondContact O-N 2.97Å; L625-L628 CarbonylContact O-C 3.57Å; L625-L628 WeakPolarHBondContact O-CA 3.41Å; L625-L628 WeakPolarHBondContact O-CB 3.35Å; L625-L628 PolarHBondContact O-N 2.86Å; L625-D629 PolarHBondContact O-N 2.95Å
626	N	34.1	Very low	41.2	Very low	93 Å²	93	115.9 Å²	115.9	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-29.6	176.5	-66.2	10.3	0	0	0	112.7	S622 D629 E630	S622-N626 WeakPolarHBondContact O-CA 3.07Å; S622-N626 WeakPolarHBondContact O-CB 3.26Å; S622-N626 PolarHBondContact O-N 2.88Å; S622-N626 PolarHBondContact O-OD1 3.42Å; N626-D629 CarbonylContact O-C 3.55Å; N626-D629 PolarHBondContact O-N 2.82Å; N626-E630 VanDerWaalsContact O-CB 3.29Å; N626-E630 WeakPolarHBondContact O-CB 3.34Å; N626-E630 PolarHBondContact O-N 3.22Å
627	H	38.3	Very low	43.4	Very low	114 Å²	114	118 Å²	118	53%	0.528	57%	0.571	S	S	.	*	H	α-helix	trans	-78.8	-21.6	175.3	-166.7	-66.6	0	0	0	112.2	A623 L625 F631	A623-H627 WeakPolarHBondContact O-CB 3.37Å; A623-H627 PolarHBondContact O-N 3.44Å; L625-H627 PolarHBondContact O-N 2.97Å; H627-F631 AromaticContact CE1-CE2 3.65Å; H627-F631 AromaticContact ND1-CE2 3.96Å; H627-F631 WeakPolarHBondContact O-CD2 3.44Å
628	L	38.9	Very low	45.6	Very low	120 Å²	120	117 Å²	117	63%	0.628	57%	0.565	S	S	*	*	H	α-helix	trans	-73.7	-44.6	162.1	-127.9	79.1	0	0	0	109.9	N624 L625 E630 F631 T632	N624-L628 PolarHBondContact O-N 3.15Å; L625-L628 CarbonylContact O-C 3.57Å; L625-L628 WeakPolarHBondContact O-CA 3.41Å; L625-L628 WeakPolarHBondContact O-CB 3.35Å; L625-L628 PolarHBondContact O-N 2.86Å; L628-E630 PolarHBondContact O-N 2.84Å; L628-F631 PolarHBondContact O-N 2.74Å; L628-T632 PolarHBondContact O-N 3.05Å; L628-T632 PolarHBondContact O-OG1 2.7Å
629	D	39.9	Very low	48.3	Very low	84 Å²	84	109.9 Å²	109.9	45%	0.449	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-27.1	-178.6	-61.6	-34	0	0	0	112.9	L625 N626 T632	L625-D629 PolarHBondContact O-N 2.95Å; N626-D629 CarbonylContact O-C 3.55Å; N626-D629 PolarHBondContact O-N 2.82Å; D629-T632 VanDerWaalsContact CA-OG1 3.27Å; D629-T632 WeakPolarHBondContact CA-OG1 3.44Å; D629-T632 PolarHBondContact O-OG1 2.76Å
630	E	39	Very low	51	Low	125 Å²	125	105.4 Å²	105.4	58%	0.584	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-22.8	176	-161.3	159.8	-145.1	0	0	112.5	N626 L628 Q633	N626-E630 VanDerWaalsContact O-CB 3.29Å; N626-E630 WeakPolarHBondContact O-CB 3.34Å; N626-E630 PolarHBondContact O-N 3.22Å; L628-E630 PolarHBondContact O-N 2.84Å; E630-Q633 WeakPolarHBondContact O-CG 3.5Å
631	F	40.3	Very low	53.6	Low	112 Å²	112	96 Å²	96	49%	0.491	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-24.9	170.9	-81.4	-93.6	0	0	0	113.4	H627 L628 Q633 K674	H627-F631 AromaticContact CE1-CE2 3.65Å; H627-F631 AromaticContact ND1-CE2 3.96Å; H627-F631 WeakPolarHBondContact O-CD2 3.44Å; L628-F631 PolarHBondContact O-N 2.74Å; F631-Q633 PolarHBondContact O-N 3.23Å; F631-K674 PolarHBondContact O-NZ 2.83Å
632	T	44.9	Very low	56.2	Low	61 Å²	61	91.1 Å²	91.1	37%	0.374	47%	0.472	S	S	.	.	S	Bend	trans	-85.4	22	170.4	58.3	0	0	0	0	113.8	L628 D629 N634	L628-T632 PolarHBondContact O-N 3.05Å; L628-T632 PolarHBondContact O-OG1 2.7Å; D629-T632 VanDerWaalsContact CA-OG1 3.27Å; D629-T632 WeakPolarHBondContact CA-OG1 3.44Å; D629-T632 PolarHBondContact O-OG1 2.76Å; T632-N634 PolarHBondContact O-N 2.81Å
633	Q	44.3	Very low	58.9	Low	138 Å²	138	88.8 Å²	88.8	65%	0.645	46%	0.456	S	S	*	.			trans	-54.2	105.4	173.6	-82.4	-177.9	8.2	0	0	112	E630 F631 R635	E630-Q633 WeakPolarHBondContact O-CG 3.5Å; F631-Q633 PolarHBondContact O-N 3.23Å; Q633-R635 PolarHBondContact O-N 2.83Å
634	N	49.6	Very low	61.5	Low	140 Å²	140	89 Å²	89	75%	0.749	45%	0.446	S	S	*	.			trans	26.1	80.6	162.3	-68.9	-8.2	0	0	0	116.5	T632 N636	T632-N634 PolarHBondContact O-N 2.81Å; N634-N636 PolarHBondContact O-N 3.2Å
635	R	58	Low	64	Low	75 Å²	75	83.3 Å²	83.3	28%	0.283	42%	0.415	S	S	.	.			trans	-70.7	104.9	145.3	-76.3	-166.8	177.1	177	7.1	107.5	Q633 E637 R671 E672	Q633-R635 PolarHBondContact O-N 2.83Å; R635-E637 PolarHBondContact O-N 2.87Å; R635-R671 PolarHBondContact NH1-O 3.45Å; R635-R671 VanDerWaalsContact NH1-O 3.09Å; R635-E672 IonicContact CZ-OE2 2.74Å; R635-E672 IonicContact NH2-OE1 3.44Å; R635-E672 PolarHBondContact NH2-OE1 3.45Å; R635-E672 IonicContact NH2-OE2 2.85Å; R635-E672 PolarHBondContact NH2-OE2 2.89Å
636	N	62.8	Low	66.5	Low	152 Å²	152	79 Å²	79	81%	0.813	39%	0.394	S	S	*	.			trans	-69.2	-13.7	172.1	-68	-12.8	0	0	0	112.2	N634	N634-N636 PolarHBondContact O-N 3.2Å
637	E	78.3	Confident	69.3	Low	163 Å²	163	74.6 Å²	74.6	76%	0.762	37%	0.37	S	S	*	.	S	Bend	trans	-102.3	136.8	-179	-66.3	174.5	-171.4	0	0	110.8	R635 V639	R635-E637 PolarHBondContact O-N 2.87Å; E637-V639 PolarHBondContact O-N 3.05Å
638	K	85.9	Confident	71.9	Confident	96 Å²	96	71.8 Å²	71.8	42%	0.417	36%	0.359	S	S	.	.			trans	-66	123.1	177	-171.7	178.2	-173.6	179.4	0	110.5	A640 D759 V762 D763	K638-A640 PolarHBondContact O-N 3.12Å; K638-D759 WeakPolarHBondContact CE-O 3.32Å; K638-D759 PolarHBondContact NZ-O 2.88Å; K638-V762 WeakPolarHBondContact CE-O 3.46Å; K638-D763 HydrophobicContact CD-CB 3.99Å; K638-D763 WeakPolarHBondContact CE-OD1 3.48Å; K638-D763 HydrophobicContact CG-CB 4.27Å; K638-D763 IonicContact NZ-OD1 3.76Å; K638-D763 PolarHBondContact NZ-OD1 2.9Å
639	V	90.2	Very high	74.4	Confident	11 Å²	11	70.2 Å²	70.2	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115	-178.8	-174.9	0	0	0	0	110.1	E637 V641 W670 W692 E761 V762 D763	E637-V639 PolarHBondContact O-N 3.05Å; V639-V641 HydrophobicContact CG1-CG2 4.41Å; V639-W670 HydrophobicContact CG1-CB 4.14Å; V639-W692 HydrophobicContact CB-CH2 3.67Å; V639-W692 HydrophobicContact CB-CZ2 4.02Å; V639-W692 HydrophobicContact CB-CZ3 4.17Å; V639-W692 HydrophobicContact CG1-CE3 4.38Å; V639-W692 HydrophobicContact CG1-CH2 3.69Å; V639-W692 HydrophobicContact CG1-CZ2 4.42Å; V639-W692 HydrophobicContact CG1-CZ3 3.67Å; V639-W692 HydrophobicContact CG2-CH2 4.02Å; V639-W692 HydrophobicContact CG2-CZ2 3.91Å; V639-W692 HydrophobicContact CG2-CZ3 4.47Å; V639-E761 PolarHBondContact N-O 2.87Å; V639-V762 WeakPolarHBondContact O-CA 3.47Å; V639-D763 PolarHBondContact O-N 2.73Å
640	A	91.6	Very high	76.9	Confident	50 Å²	50	66.4 Å²	66.4	41%	0.413	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.6	169.1	0	0	0	0	0	110.6	K638 I765	K638-A640 PolarHBondContact O-N 3.12Å; A640-I765 HydrophobicContact CB-CD1 3.9Å
641	V	93	Very high	79.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.1	176.1	-174.2	0	0	0	0	107.8	V639 V643 A668 K669 W670 W692 P694 L696 V762 D763 I765	V639-V641 HydrophobicContact CG1-CG2 4.41Å; V641-V643 HydrophobicContact CG1-CG2 3.89Å; V641-A668 HydrophobicContact CG1-CB 4.11Å; V641-K669 CarbonylContact C-O 3.6Å; V641-K669 WeakPolarHBondContact CA-O 3.49Å; V641-W670 HydrophobicContact CG1-CE3 4.45Å; V641-W670 HydrophobicContact CG2-CB 4.18Å; V641-W692 HydrophobicContact CG2-CH2 4.39Å; V641-W692 HydrophobicContact CG2-CZ3 4.44Å; V641-P694 HydrophobicContact CG1-CB 4.49Å; V641-P694 HydrophobicContact CG1-CG 4.32Å; V641-P694 HydrophobicContact CG2-CB 3.91Å; V641-P694 HydrophobicContact CG2-CG 4.43Å; V641-L696 HydrophobicContact CG1-CD1 4.41Å; V641-V762 HydrophobicContact CB-CG1 4.44Å; V641-V762 HydrophobicContact CG2-CG1 3.62Å; V641-D763 PolarHBondContact N-O 2.9Å; V641-I765 PolarHBondContact O-N 2.9Å
642	E	93.1	Very high	81.8	Confident	49 Å²	49	62.4 Å²	62.4	23%	0.229	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.4	174.7	-66.7	170.6	163.2	0	0	108.6	A668 K669 I765 D767	E642-A668 CarbonylContact O-C 3.47Å; E642-A668 VanDerWaalsContact O-CA 3.31Å; E642-A668 WeakPolarHBondContact O-CA 3.3Å; E642-K669 HydrophobicContact CB-CB 4.25Å; E642-K669 PolarHBondContact N-O 3.07Å; E642-K669 PolarHBondContact O-N 2.74Å; E642-K669 IonicContact OE1-NZ 3.48Å; E642-K669 WeakPolarHBondContact OE2-CD 3.26Å; E642-K669 IonicContact OE2-NZ 2.77Å; E642-K669 PolarHBondContact OE2-NZ 3.44Å; E642-I765 CarbonylContact C-O 3.58Å; E642-I765 VanDerWaalsContact CA-O 3.32Å; E642-I765 WeakPolarHBondContact CA-O 3.44Å; E642-D767 HydrophobicContact CB-CB 4.34Å
643	V	93.9	Very high	84.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.3	-176.8	176.4	0	0	0	0	111.1	V641 L666 Q667 A668 L696 V753 I764 I765 D767 L812	V641-V643 HydrophobicContact CG1-CG2 3.89Å; V643-L666 HydrophobicContact CG1-CD1 3.58Å; V643-Q667 WeakPolarHBondContact CA-O 3.24Å; V643-A668 HydrophobicContact CG2-CB 4.14Å; V643-L696 HydrophobicContact CG2-CD1 4.48Å; V643-V753 HydrophobicContact CG1-CG1 4.46Å; V643-I764 HydrophobicContact CB-CG2 4.02Å; V643-I764 HydrophobicContact CG2-CG2 3.69Å; V643-I765 PolarHBondContact N-O 2.84Å; V643-D767 PolarHBondContact O-N 3.21Å; V643-L812 HydrophobicContact CB-CD2 3.79Å; V643-L812 HydrophobicContact CG1-CD2 3.86Å
644	R	93.1	Very high	86.4	Confident	54 Å²	54	55.9 Å²	55.9	20%	0.204	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.8	178	176.4	-172.2	-165.9	-158.1	-7	109.6	V646 L666 Q667 D767 E770 M771	R644-V646 HydrophobicContact CG-CG2 4.2Å; R644-L666 WeakPolarHBondContact O-CA 3.43Å; R644-Q667 HydrophobicContact CB-CB 4.31Å; R644-Q667 PolarHBondContact N-O 2.92Å; R644-Q667 PolarHBondContact O-N 3.01Å; R644-D767 HydrophobicContact CB-CB 4.11Å; R644-E770 WeakPolarHBondContact CD-O 3.44Å; R644-E770 WeakPolarHBondContact CG-O 3.16Å; R644-E770 IonicContact CZ-OE2 3.3Å; R644-E770 PolarHBondContact NE-O 3.12Å; R644-E770 IonicContact NH1-OE2 2.76Å; R644-E770 PolarHBondContact NH1-OE2 3.34Å; R644-M771 PolarHBondContact NE-O 2.96Å
645	V	93.6	Very high	88.4	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.4	173.1	-179.2	0	0	0	0	109.5	A664 F665 L666 I751 V753 S772 A773 V814	V645-A664 HydrophobicContact CG1-CB 4.47Å; V645-F665 CarbonylContact C-O 3.59Å; V645-F665 WeakPolarHBondContact CA-O 3.38Å; V645-L666 HydrophobicContact CG2-CD1 3.83Å; V645-I751 HydrophobicContact CG1-CD1 4.2Å; V645-V753 HydrophobicContact CG2-CG2 4.14Å; V645-S772 PolarHBondContact N-OG 3.26Å; V645-S772 CarbonylContact O-C 3.58Å; V645-S772 WeakPolarHBondContact O-CA 3.38Å; V645-S772 WeakPolarHBondContact O-CB 3.41Å; V645-S772 PolarHBondContact O-OG 3.03Å; V645-A773 PolarHBondContact O-N 2.92Å; V645-A773 VanDerWaalsContact O-N 3.16Å; V645-V814 HydrophobicContact CB-CB 4.2Å; V645-V814 HydrophobicContact CB-CG1 4.19Å; V645-V814 HydrophobicContact CB-CG2 4.01Å; V645-V814 HydrophobicContact CG2-CB 4.36Å; V645-V814 HydrophobicContact CG2-CG2 3.82Å
646	V	93.5	Very high	90	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.121	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.3	175.7	-177.7	0	0	0	0	109.7	R644 L648 A664 F665 A773	R644-V646 HydrophobicContact CG-CG2 4.2Å; V646-L648 HydrophobicContact CG1-CD2 4.27Å; V646-L648 PolarHBondContact O-N 3.39Å; V646-A664 CarbonylContact O-C 3.53Å; V646-A664 WeakPolarHBondContact O-CA 3.03Å; V646-F665 HydrophobicContact CB-CB 4.34Å; V646-F665 PolarHBondContact N-O 2.88Å; V646-F665 PolarHBondContact O-N 3.09Å; V646-A773 CarbonylContact C-O 3.59Å; V646-A773 VanDerWaalsContact CA-O 3.28Å; V646-A773 WeakPolarHBondContact CA-O 3.18Å; V646-A773 HydrophobicContact CG1-CB 4.35Å; V646-A773 HydrophobicContact CG2-CB 4.44Å
647	F	93.7	Very high	91.3	Very high	1 Å²	1	50 Å²	50	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	108.4	173.4	-63.7	-95.8	0	0	0	108.8	I650 I751 A773 I774 N775 V814 C816	F647-I650 HydrophobicContact CB-CD1 4.38Å; F647-I650 HydrophobicContact CB-CG1 4.37Å; F647-I650 HydrophobicContact CD1-CD1 4.03Å; F647-I650 HydrophobicContact CD1-CG1 4.09Å; F647-I650 HydrophobicContact CG-CD1 4.38Å; F647-I751 HydrophobicContact CD1-CD1 4.01Å; F647-I751 HydrophobicContact CE1-CD1 3.44Å; F647-I751 VanDerWaalsContact CE1-CD1 3.44Å; F647-I751 HydrophobicContact CE1-CG1 3.77Å; F647-I751 HydrophobicContact CZ-CD1 3.95Å; F647-I751 HydrophobicContact CZ-CG1 4.03Å; F647-A773 PolarHBondContact N-O 2.8Å; F647-I774 HydrophobicContact CB-CB 4.48Å; F647-I774 HydrophobicContact CB-CG1 4.25Å; F647-I774 HydrophobicContact CB-CG2 4.35Å; F647-I774 HydrophobicContact CD2-CG1 3.71Å; F647-I774 HydrophobicContact CE2-CG1 4.45Å; F647-I774 HydrophobicContact CG-CG1 4.27Å; F647-N775 PolarHBondContact O-N 2.62Å; F647-V814 HydrophobicContact CE2-CG1 4.04Å; F647-C816 HydrophobicContact CD2-CB 4.45Å; F647-C816 HydrophobicContact CE2-CB 4.08Å; F647-C816 HydrophobicContact CZ-CB 4.21Å
648	L	92	Very high	92	Very high	54 Å²	54	45.3 Å²	45.3	28%	0.283	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-38.3	-179.3	-63.2	-179.7	0	0	0	111.9	V646 D663 F665 R728 T778	V646-L648 HydrophobicContact CG1-CD2 4.27Å; V646-L648 PolarHBondContact O-N 3.39Å; L648-D663 WeakPolarHBondContact CA-O 3.44Å; L648-D663 HydrophobicContact CB-CB 4.47Å; L648-D663 WeakPolarHBondContact CB-O 3.37Å; L648-D663 PolarHBondContact N-O 2.87Å; L648-F665 HydrophobicContact CD1-CB 4.05Å; L648-F665 HydrophobicContact CD2-CB 4.22Å; L648-F665 HydrophobicContact CG-CB 4.05Å; L648-R728 HydrophobicContact CD1-CG 4.38Å; L648-T778 WeakPolarHBondContact O-CB 3.14Å; L648-T778 PolarHBondContact O-OG1 2.94Å
649	K	92.1	Very high	92.4	Very high	88 Å²	88	42 Å²	42	38%	0.383	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	128.9	176.7	172.6	179	-175.9	-174.1	0	108.8	A662 D663 V780	K649-A662 WeakPolarHBondContact O-CA 3.5Å; K649-D663 HydrophobicContact CB-CB 4.06Å; K649-D663 PolarHBondContact N-O 2.83Å; K649-D663 VanDerWaalsContact N-O 3.1Å; K649-D663 PolarHBondContact O-N 2.81Å; K649-V780 HydrophobicContact CD-CG2 4.35Å; K649-V780 HydrophobicContact CG-CG2 4.35Å
650	I	92.9	Very high	92.6	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.2	167.2	-58.4	170.2	0	0	0	106.9	F647 L749 F779 V780 L787 C816	F647-I650 HydrophobicContact CB-CD1 4.38Å; F647-I650 HydrophobicContact CB-CG1 4.37Å; F647-I650 HydrophobicContact CD1-CD1 4.03Å; F647-I650 HydrophobicContact CD1-CG1 4.09Å; F647-I650 HydrophobicContact CG-CD1 4.38Å; I650-L749 HydrophobicContact CG2-CD1 4.11Å; I650-F779 HydrophobicContact CB-CD2 3.79Å; I650-F779 HydrophobicContact CB-CE2 4.09Å; I650-F779 HydrophobicContact CG2-CD2 4.08Å; I650-F779 HydrophobicContact CG2-CE2 3.83Å; I650-F779 WeakPolarHBondContact O-CD2 3.37Å; I650-V780 PolarHBondContact O-N 3.49Å; I650-V780 VanDerWaalsContact O-N 3.11Å; I650-L787 HydrophobicContact CD1-CD1 3.87Å; I650-L787 HydrophobicContact CD1-CD2 3.94Å; I650-C816 VanDerWaalsContact CD1-SG 3.59Å
651	G	90.4	Very high	92.7	Very high	5 Å²	5	43.5 Å²	43.5	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-143.5	-178.5	0	0	0	0	0	112.3	Y661	G651-Y661 PolarHBondContact N-O 2.93Å
652	E	91.8	Very high	92.7	Very high	148 Å²	148	43.5 Å²	43.5	69%	0.692	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.3	176.9	-66.4	165.2	-161.2	0	0	111	Y661	E652-Y661 PolarHBondContact O-N 2.88Å; E652-Y661 VanDerWaalsContact O-N 3.08Å
653	I	93.7	Very high	92.7	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.2	178	-58	167	0	0	0	107.3	T655 L749 F779 W785 A818	I653-T655 PolarHBondContact O-N 3.35Å; I653-L749 HydrophobicContact CD1-CD1 3.82Å; I653-L749 HydrophobicContact CG1-CD1 4.3Å; I653-L749 HydrophobicContact CG2-CD2 4.5Å; I653-F779 HydrophobicContact CD1-CZ 4.43Å; I653-W785 HydrophobicContact CB-CZ2 4.37Å; I653-W785 HydrophobicContact CD1-CD2 3.97Å; I653-W785 HydrophobicContact CD1-CG 4.06Å; I653-W785 HydrophobicContact CD1-CZ2 4.42Å; I653-W785 HydrophobicContact CG2-CZ2 4Å; I653-A818 HydrophobicContact CD1-CB 4.33Å
654	D	92.2	Very high	92.7	Very high	48 Å²	48	41.8 Å²	41.8	26%	0.257	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	98.4	-179.7	-172.7	-27	0	0	0	110.2	L656 K657 E658 L659	D654-L656 PolarHBondContact O-N 2.67Å; D654-L656 WeakPolarHBondContact OD1-CB 3.49Å; D654-L656 PolarHBondContact OD1-N 2.91Å; D654-K657 HydrophobicContact CB-CB 4.41Å; D654-K657 PolarHBondContact O-N 3.38Å; D654-K657 PolarHBondContact OD1-N 3.01Å; D654-K657 WeakPolarHBondContact OD2-CD 3.31Å; D654-K657 WeakPolarHBondContact OD2-CE 3.5Å; D654-K657 WeakPolarHBondContact OD2-CG 3.32Å; D654-K657 IonicContact OD2-NZ 2.62Å; D654-K657 PolarHBondContact OD2-NZ 3.21Å; D654-E658 PolarHBondContact O-N 3.39Å; D654-L659 PolarHBondContact N-O 2.88Å; D654-L659 PolarHBondContact O-N 3.34Å
655	T	91.1	Very high	92.7	Very high	20 Å²	20	41.7 Å²	41.7	12%	0.123	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.6	-179.4	56	0	0	0	0	114.2	I653 L737 W785 P877	I653-T655 PolarHBondContact O-N 3.35Å; T655-L737 HydrophobicContact CG2-CD1 4.1Å; T655-W785 HydrophobicContact CG2-CZ2 3.95Å; T655-P877 VanDerWaalsContact O-CD 3.31Å; T655-P877 WeakPolarHBondContact O-CD 3.35Å; T655-P877 WeakPolarHBondContact O-CG 3.17Å
656	L	90.7	Very high	92.7	Very high	88 Å²	88	41.9 Å²	41.9	46%	0.461	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-31.4	179.3	-65.2	179.9	0	0	0	111.9	D654	D654-L656 PolarHBondContact O-N 2.67Å; D654-L656 WeakPolarHBondContact OD1-CB 3.49Å; D654-L656 PolarHBondContact OD1-N 2.91Å
657	K	91.4	Very high	92.7	Very high	136 Å²	136	41 Å²	41	59%	0.591	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-8.8	178.5	-59.2	-168.6	-163.4	92.2	0	114.3	D654 L659	D654-K657 HydrophobicContact CB-CB 4.41Å; D654-K657 PolarHBondContact O-N 3.38Å; D654-K657 PolarHBondContact OD1-N 3.01Å; D654-K657 WeakPolarHBondContact OD2-CD 3.31Å; D654-K657 WeakPolarHBondContact OD2-CE 3.5Å; D654-K657 WeakPolarHBondContact OD2-CG 3.32Å; D654-K657 IonicContact OD2-NZ 2.62Å; D654-K657 PolarHBondContact OD2-NZ 3.21Å; K657-L659 VanDerWaalsContact C-N 3.3Å; K657-L659 HydrophobicContact CB-CB 4.33Å; K657-L659 HydrophobicContact CB-CD1 3.8Å; K657-L659 HydrophobicContact CB-CG 3.85Å; K657-L659 HydrophobicContact CD-CD1 4.12Å
658	E	92.8	Very high	92.7	Very high	64 Å²	64	41 Å²	41	30%	0.299	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	40.4	-174.2	-57.7	-169.6	114.2	0	0	111.9	D654 E735 L737	D654-E658 PolarHBondContact O-N 3.39Å; E658-E735 CarbonylContact C-O 3.56Å; E658-E735 WeakPolarHBondContact CB-O 3.36Å; E658-E735 PolarHBondContact O-N 3.2Å; E658-E735 VanDerWaalsContact O-O 3.12Å; E658-L737 PolarHBondContact OE1-N 3.18Å
659	L	94.3	Very high	92.7	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.147	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.1	-176.4	-62.1	177.5	0	0	0	111	D654 K657 L702 V732 F733 L734	D654-L659 PolarHBondContact N-O 2.88Å; D654-L659 PolarHBondContact O-N 3.34Å; K657-L659 VanDerWaalsContact C-N 3.3Å; K657-L659 HydrophobicContact CB-CB 4.33Å; K657-L659 HydrophobicContact CB-CD1 3.8Å; K657-L659 HydrophobicContact CB-CG 3.85Å; K657-L659 HydrophobicContact CD-CD1 4.12Å; L659-L702 HydrophobicContact CD1-CD2 3.93Å; L659-L702 HydrophobicContact CD2-CD2 3.76Å; L659-V732 HydrophobicContact CB-CG1 3.78Å; L659-V732 HydrophobicContact CD1-CG1 3.99Å; L659-V732 HydrophobicContact CD2-CG1 4.15Å; L659-V732 HydrophobicContact CG-CG1 4.18Å; L659-F733 WeakPolarHBondContact CA-O 3.41Å; L659-L734 HydrophobicContact CD2-CB 4.25Å; L659-L734 HydrophobicContact CD2-CD1 3.73Å
660	Y	94.5	Very high	92.7	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.2	168.8	76.7	-87.6	0	0	0	112	A662 F733 E735 L749 T750 I751	Y660-A662 HydrophobicContact CD2-CB 4.14Å; Y660-A662 HydrophobicContact CE2-CB 3.75Å; Y660-F733 HydrophobicContact CD1-CB 3.94Å; Y660-F733 HydrophobicContact CE1-CB 3.45Å; Y660-F733 VanDerWaalsContact CE1-CB 3.45Å; Y660-F733 HydrophobicContact CE1-CG 4.31Å; Y660-F733 HydrophobicContact CE2-CB 4.13Å; Y660-F733 HydrophobicContact CE2-CD2 4.02Å; Y660-F733 HydrophobicContact CE2-CG 4.24Å; Y660-F733 HydrophobicContact CG-CB 4.46Å; Y660-F733 AromaticContact CZ-CG 3.9Å; Y660-F733 PolarHBondContact N-O 2.8Å; Y660-F733 PolarHBondContact O-N 3.49Å; Y660-E735 HydrophobicContact CD1-CB 3.9Å; Y660-E735 HydrophobicContact CE1-CB 3.96Å; Y660-L749 HydrophobicContact CD1-CB 4.35Å; Y660-L749 HydrophobicContact CD1-CD2 3.92Å; Y660-L749 HydrophobicContact CD2-CD1 4.41Å; Y660-L749 HydrophobicContact CE1-CB 4.02Å; Y660-L749 HydrophobicContact CE1-CD2 4.4Å; Y660-L749 HydrophobicContact CE2-CB 4.2Å; Y660-L749 HydrophobicContact CG-CD2 4.07Å; Y660-T750 VanDerWaalsContact OH-C 3.22Å; Y660-T750 PolarHBondContact OH-O 3.34Å; Y660-I751 WeakPolarHBondContact OH-CG1 3.44Å
661	Y	93.8	Very high	92.6	Very high	88 Å²	88	39.7 Å²	39.7	35%	0.345	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.9	174.2	-178.9	-90.3	0	0	0	111.2	G651 E652 G731 V732	G651-Y661 PolarHBondContact N-O 2.93Å; E652-Y661 PolarHBondContact O-N 2.88Å; E652-Y661 VanDerWaalsContact O-N 3.08Å; Y661-G731 WeakPolarHBondContact CD2-O 3.27Å; Y661-V732 HydrophobicContact CD2-CG2 4.34Å
662	A	93.3	Very high	92.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.1	169.6	0	0	0	0	0	114.4	K649 Y660 G731 F733	K649-A662 WeakPolarHBondContact O-CA 3.5Å; Y660-A662 HydrophobicContact CD2-CB 4.14Å; Y660-A662 HydrophobicContact CE2-CB 3.75Å; A662-G731 PolarHBondContact N-O 2.92Å; A662-G731 VanDerWaalsContact N-O 3.13Å; A662-G731 PolarHBondContact O-N 2.86Å; A662-F733 HydrophobicContact CB-CD2 4.03Å; A662-F733 HydrophobicContact CB-CE2 3.75Å
663	D	92.7	Very high	92.1	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.064	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114	166.7	-171.6	-6.7	0	0	0	106.3	L648 K649 R728 I729 K730	L648-D663 WeakPolarHBondContact CA-O 3.44Å; L648-D663 HydrophobicContact CB-CB 4.47Å; L648-D663 WeakPolarHBondContact CB-O 3.37Å; L648-D663 PolarHBondContact N-O 2.87Å; K649-D663 HydrophobicContact CB-CB 4.06Å; K649-D663 PolarHBondContact N-O 2.83Å; K649-D663 VanDerWaalsContact N-O 3.1Å; K649-D663 PolarHBondContact O-N 2.81Å; D663-R728 WeakPolarHBondContact OD1-CG 3.2Å; D663-R728 IonicContact OD1-CZ 3.91Å; D663-R728 IonicContact OD1-NE 2.78Å; D663-R728 PolarHBondContact OD1-NE 2.81Å; D663-R728 IonicContact OD1-NH2 2.7Å; D663-R728 IonicContact OD2-CZ 3.58Å; D663-R728 IonicContact OD2-NE 2.7Å; D663-R728 PolarHBondContact OD2-NE 2.82Å; D663-R728 IonicContact OD2-NH2 3.65Å; D663-R728 PolarHBondContact OD2-NH2 2.98Å; D663-I729 WeakPolarHBondContact CA-O 2.97Å; D663-K730 HydrophobicContact CB-CG 4.02Å; D663-K730 VanDerWaalsContact CG-CE 3.5Å; D663-K730 WeakPolarHBondContact OD1-CE 3.3Å; D663-K730 WeakPolarHBondContact OD1-CG 3.38Å; D663-K730 WeakPolarHBondContact OD2-CE 3.04Å
664	A	92.9	Very high	91.6	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.4	-174.7	0	0	0	0	0	110.9	V645 V646 I729 I751	V645-A664 HydrophobicContact CG1-CB 4.47Å; V646-A664 CarbonylContact O-C 3.53Å; V646-A664 WeakPolarHBondContact O-CA 3.03Å; A664-I729 PolarHBondContact N-O 3.4Å; A664-I729 PolarHBondContact O-N 3.17Å; A664-I751 HydrophobicContact CB-CD1 3.54Å
665	F	93.2	Very high	91.1	Very high	51 Å²	51	38.1 Å²	38.1	22%	0.224	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.9	174.1	-178.6	-100.5	0	0	0	109.2	V645 V646 L648 Q667 R726	V645-F665 CarbonylContact C-O 3.59Å; V645-F665 WeakPolarHBondContact CA-O 3.38Å; V646-F665 HydrophobicContact CB-CB 4.34Å; V646-F665 PolarHBondContact N-O 2.88Å; V646-F665 PolarHBondContact O-N 3.09Å; L648-F665 HydrophobicContact CD1-CB 4.05Å; L648-F665 HydrophobicContact CD2-CB 4.22Å; L648-F665 HydrophobicContact CG-CB 4.05Å; F665-Q667 HydrophobicContact CE1-CB 4.02Å; F665-R726 HydrophobicContact CE2-CB 4.03Å; F665-R726 HydrophobicContact CE2-CG 4.36Å; F665-R726 HydrophobicContact CZ-CB 3.88Å; F665-R726 HydrophobicContact CZ-CG 3.7Å
666	L	93.8	Very high	90.6	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.4	174.3	175.7	67.5	0	0	0	108.5	V643 R644 V645 R726 R727 I729 V753	V643-L666 HydrophobicContact CG1-CD1 3.58Å; R644-L666 WeakPolarHBondContact O-CA 3.43Å; V645-L666 HydrophobicContact CG2-CD1 3.83Å; L666-R726 WeakPolarHBondContact O-CA 3.45Å; L666-R727 HydrophobicContact CB-CB 4.31Å; L666-R727 PolarHBondContact N-O 2.81Å; L666-R727 PolarHBondContact O-N 2.87Å; L666-I729 HydrophobicContact CB-CD1 3.37Å; L666-I729 HydrophobicContact CD2-CD1 4.02Å; L666-I729 HydrophobicContact CG-CD1 4.34Å; L666-V753 HydrophobicContact CD1-CG1 4.31Å; L666-V753 HydrophobicContact CD1-CG2 3.94Å; L666-V753 HydrophobicContact CD2-CG1 4.48Å
667	Q	93.5	Very high	89.8	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.2	168.9	-179.3	177.5	-81.8	0	0	108.5	V643 R644 F665 M724 E725 R726 E770	V643-Q667 WeakPolarHBondContact CA-O 3.24Å; R644-Q667 HydrophobicContact CB-CB 4.31Å; R644-Q667 PolarHBondContact N-O 2.92Å; R644-Q667 PolarHBondContact O-N 3.01Å; F665-Q667 HydrophobicContact CE1-CB 4.02Å; Q667-M724 HydrophobicContact CG-CG 3.85Å; Q667-M724 HydrophobicContact CG-SD 4.08Å; Q667-M724 PolarHBondContact OE1-SD 2.89Å; Q667-E725 CarbonylContact C-O 3.55Å; Q667-E725 VanDerWaalsContact CA-O 3.3Å; Q667-E725 WeakPolarHBondContact CA-O 3.23Å; Q667-R726 HydrophobicContact CB-CG 4.46Å; Q667-R726 HydrophobicContact CG-CG 4.11Å; Q667-E770 PolarHBondContact NE2-OE2 3.38Å
668	A	93.5	Very high	89.1	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.3	174.9	0	0	0	0	0	109.8	V641 E642 V643 W670 L696 M724 E725	V641-A668 HydrophobicContact CG1-CB 4.11Å; E642-A668 CarbonylContact O-C 3.47Å; E642-A668 VanDerWaalsContact O-CA 3.31Å; E642-A668 WeakPolarHBondContact O-CA 3.3Å; V643-A668 HydrophobicContact CG2-CB 4.14Å; A668-W670 HydrophobicContact CB-CZ3 4.27Å; A668-L696 HydrophobicContact CB-CD1 3.29Å; A668-M724 CarbonylContact O-C 3.59Å; A668-M724 VanDerWaalsContact O-CA 3.32Å; A668-M724 WeakPolarHBondContact O-CA 3.46Å; A668-E725 HydrophobicContact CB-CB 4.43Å; A668-E725 PolarHBondContact N-O 3.32Å; A668-E725 PolarHBondContact O-N 3.01Å
669	K	92.5	Very high	88.1	Confident	36 Å²	36	35.9 Å²	35.9	16%	0.157	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.2	-175.3	169.4	170.6	167.9	-95	0	110.3	V641 E642 Y722 L723 M724	V641-K669 CarbonylContact C-O 3.6Å; V641-K669 WeakPolarHBondContact CA-O 3.49Å; E642-K669 HydrophobicContact CB-CB 4.25Å; E642-K669 PolarHBondContact N-O 3.07Å; E642-K669 PolarHBondContact O-N 2.74Å; E642-K669 IonicContact OE1-NZ 3.48Å; E642-K669 WeakPolarHBondContact OE2-CD 3.26Å; E642-K669 IonicContact OE2-NZ 2.77Å; E642-K669 PolarHBondContact OE2-NZ 3.44Å; K669-Y722 HydrophobicContact CD-CD1 4.24Å; K669-Y722 HydrophobicContact CD-CG 4.48Å; K669-Y722 HydrophobicContact CG-CD1 3.71Å; K669-Y722 HydrophobicContact CG-CG 4.2Å; K669-L723 CarbonylContact C-O 3.59Å; K669-L723 VanDerWaalsContact CA-O 3.31Å; K669-L723 WeakPolarHBondContact CA-O 3.44Å; K669-M724 HydrophobicContact CD-CE 4.2Å
670	W	92.4	Very high	87	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.011	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.7	179.2	64	96.4	0	0	0	111.8	V639 V641 A668 W692 P694 Y722 L723 E725	V639-W670 HydrophobicContact CG1-CB 4.14Å; V641-W670 HydrophobicContact CG1-CE3 4.45Å; V641-W670 HydrophobicContact CG2-CB 4.18Å; A668-W670 HydrophobicContact CB-CZ3 4.27Å; W670-W692 AromaticContact CD1-CE3 3.77Å; W670-W692 AromaticContact CD1-CZ3 3.92Å; W670-W692 HydrophobicContact CG-CE3 4.45Å; W670-W692 HydrophobicContact CG-CZ3 4.18Å; W670-W692 AromaticContact NE1-CE3 3.73Å; W670-W692 PolarHBondContact NE1-O 3.24Å; W670-P694 HydrophobicContact CD2-CG 4.26Å; W670-P694 HydrophobicContact CE3-CG 3.85Å; W670-P694 VanDerWaalsContact CH2-CD 3.45Å; W670-P694 HydrophobicContact CH2-CG 4.1Å; W670-P694 VanDerWaalsContact CZ2-CD 3.48Å; W670-P694 HydrophobicContact CZ2-CG 4.49Å; W670-P694 HydrophobicContact CZ3-CG 3.76Å; W670-Y722 CarbonylContact O-C 3.6Å; W670-Y722 WeakPolarHBondContact O-CA 3.47Å; W670-L723 HydrophobicContact CD2-CB 4.04Å; W670-L723 HydrophobicContact CG-CB 4.47Å; W670-L723 HydrophobicContact CH2-CB 4.39Å; W670-L723 HydrophobicContact CZ2-CB 3.7Å; W670-L723 HydrophobicContact CZ2-CD1 4.07Å; W670-L723 PolarHBondContact N-O 3.35Å; W670-L723 PolarHBondContact O-N 3Å; W670-E725 HydrophobicContact CH2-CB 3.8Å; W670-E725 HydrophobicContact CZ3-CB 3.64Å
671	R	89.8	Confident	85.7	Confident	77 Å²	77	45.5 Å²	45.5	29%	0.291	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.1	-178.4	-164.7	-175.6	-178.4	-61	-11.4	110.8	R635 D676 E720 Y722	R635-R671 PolarHBondContact NH1-O 3.45Å; R635-R671 VanDerWaalsContact NH1-O 3.09Å; R671-D676 IonicContact CZ-OD2 2.68Å; R671-D676 IonicContact NH1-OD2 3.41Å; R671-D676 PolarHBondContact NH1-OD2 3.04Å; R671-D676 IonicContact NH2-OD2 3.45Å; R671-D676 PolarHBondContact NH2-OD2 3.04Å; R671-E720 IonicContact CZ-OE1 3.66Å; R671-E720 IonicContact NE-OE1 3.63Å; R671-E720 PolarHBondContact NE-OE1 3.05Å; R671-E720 IonicContact NH2-OE1 2.83Å; R671-E720 PolarHBondContact NH2-OE1 3.26Å; R671-Y722 HydrophobicContact CB-CD1 4.23Å; R671-Y722 HydrophobicContact CB-CE1 3.98Å; R671-Y722 HydrophobicContact CG-CE1 4.47Å
672	E	89.2	Confident	84.7	Confident	2 Å²	2	45 Å²	45	1%	0.009	25%	0.248	C	C	.	.			trans	-124.2	84.4	176.5	-175.2	49.2	-105.4	0	0	111.8	R635 K674 L675 Y691 V721 L723	R635-E672 IonicContact CZ-OE2 2.74Å; R635-E672 IonicContact NH2-OE1 3.44Å; R635-E672 PolarHBondContact NH2-OE1 3.45Å; R635-E672 IonicContact NH2-OE2 2.85Å; R635-E672 PolarHBondContact NH2-OE2 2.89Å; E672-K674 HydrophobicContact CG-CB 4.42Å; E672-K674 PolarHBondContact O-N 2.89Å; E672-K674 VanDerWaalsContact OE1-CB 3.27Å; E672-K674 WeakPolarHBondContact OE1-CB 3.47Å; E672-K674 VanDerWaalsContact OE1-CG 3.3Å; E672-K674 WeakPolarHBondContact OE1-CG 3.47Å; E672-K674 PolarHBondContact OE1-N 3.04Å; E672-K674 VanDerWaalsContact OE1-N 3.1Å; E672-L675 HydrophobicContact CB-CD1 4.22Å; E672-L675 HydrophobicContact CG-CB 4.41Å; E672-L675 HydrophobicContact CG-CD1 3.85Å; E672-L675 HydrophobicContact CG-CG 4Å; E672-L675 PolarHBondContact O-N 2.8Å; E672-Y691 HydrophobicContact CG-CD1 3.89Å; E672-V721 PolarHBondContact N-O 3.35Å; E672-L723 HydrophobicContact CB-CD1 3.88Å; E672-L723 HydrophobicContact CB-CG 3.88Å; E672-L723 HydrophobicContact CG-CD1 3.96Å; E672-L723 HydrophobicContact CG-CG 4.38Å
673	P	84.2	Confident	83.7	Confident	61 Å²	61	45.8 Å²	45.8	40%	0.396	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-52.2	-26.1	176.9	13.9	-29.5	0	0	0	115.7	L675 D676	P673-L675 PolarHBondContact O-N 2.9Å; P673-D676 WeakPolarHBondContact CA-OD2 3.42Å; P673-D676 WeakPolarHBondContact O-CB 3.31Å; P673-D676 PolarHBondContact O-N 3.15Å
674	K	81.5	Confident	82.6	Confident	119 Å²	119	49.6 Å²	49.6	52%	0.517	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19	178.7	-65	177.4	-179.5	179.2	0	112.7	F631 E672 Y691	F631-K674 PolarHBondContact O-NZ 2.83Å; E672-K674 HydrophobicContact CG-CB 4.42Å; E672-K674 PolarHBondContact O-N 2.89Å; E672-K674 VanDerWaalsContact OE1-CB 3.27Å; E672-K674 WeakPolarHBondContact OE1-CB 3.47Å; E672-K674 VanDerWaalsContact OE1-CG 3.3Å; E672-K674 WeakPolarHBondContact OE1-CG 3.47Å; E672-K674 PolarHBondContact OE1-N 3.04Å; E672-K674 VanDerWaalsContact OE1-N 3.1Å; K674-Y691 HydrophobicContact CB-CD1 4.46Å; K674-Y691 HydrophobicContact CB-CE1 4.01Å
675	L	82	Confident	81.3	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-95.5	-6	178.4	-69.5	169.4	0	0	0	113.4	E672 P673 G677 H678 L688 Y691 V721 L723	E672-L675 HydrophobicContact CB-CD1 4.22Å; E672-L675 HydrophobicContact CG-CB 4.41Å; E672-L675 HydrophobicContact CG-CD1 3.85Å; E672-L675 HydrophobicContact CG-CG 4Å; E672-L675 PolarHBondContact O-N 2.8Å; P673-L675 PolarHBondContact O-N 2.9Å; L675-G677 PolarHBondContact O-N 3.44Å; L675-H678 PolarHBondContact O-N 3.35Å; L675-L688 HydrophobicContact CD1-CD2 4.38Å; L675-Y691 HydrophobicContact CD1-CD1 4.5Å; L675-Y691 HydrophobicContact CD1-CE1 4.44Å; L675-Y691 HydrophobicContact CD2-CE1 3.99Å; L675-Y691 HydrophobicContact CD2-CE2 4.08Å; L675-Y691 WeakPolarHBondContact CD2-OH 3.37Å; L675-Y691 HydrophobicContact CG-CD1 4.4Å; L675-Y691 HydrophobicContact CG-CE1 3.93Å; L675-V721 HydrophobicContact CB-CB 3.74Å; L675-V721 HydrophobicContact CB-CG1 3.65Å; L675-V721 HydrophobicContact CB-CG2 4.08Å; L675-V721 HydrophobicContact CD1-CG1 4.01Å; L675-V721 HydrophobicContact CG-CG1 4.48Å; L675-V721 WeakPolarHBondContact O-CG2 3.48Å; L675-L723 HydrophobicContact CD1-CD2 3.71Å; L675-L723 HydrophobicContact CD1-CG 4.18Å
676	D	80.7	Confident	80	Confident	63 Å²	63	55.8 Å²	55.8	34%	0.337	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	91.1	-179.6	-70.2	-12.9	0	0	0	110.6	R671 P673 E720 V721	R671-D676 IonicContact CZ-OD2 2.68Å; R671-D676 IonicContact NH1-OD2 3.41Å; R671-D676 PolarHBondContact NH1-OD2 3.04Å; R671-D676 IonicContact NH2-OD2 3.45Å; R671-D676 PolarHBondContact NH2-OD2 3.04Å; P673-D676 WeakPolarHBondContact CA-OD2 3.42Å; P673-D676 WeakPolarHBondContact O-CB 3.31Å; P673-D676 PolarHBondContact O-N 3.15Å; D676-E720 WeakPolarHBondContact OD1-CA 3.47Å; D676-V721 PolarHBondContact OD1-N 2.96Å
677	G	73.6	Confident	79.1	Confident	59 Å²	59	61.8 Å²	61.8	61%	0.608	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.4	-30.9	178	0	0	0	0	0	114.4	L675	L675-G677 PolarHBondContact O-N 3.44Å
678	H	77.2	Confident	78.4	Confident	68 Å²	68	63 Å²	63	32%	0.315	35%	0.349	S	S	.	.			trans	-62.8	141.6	-176.1	-77.1	-76.6	0	0	0	113.4	L675 E682 L683 R715	L675-H678 PolarHBondContact O-N 3.35Å; H678-E682 WeakPolarHBondContact CA-OE2 3.3Å; H678-E682 HydrophobicContact CB-CB 4.15Å; H678-E682 WeakPolarHBondContact CB-OE2 3.32Å; H678-E682 IonicContact CE1-OE2 2.64Å; H678-E682 IonicContact CG-OE2 3.15Å; H678-E682 IonicContact ND1-OE2 2.83Å; H678-E682 PolarHBondContact ND1-OE2 3.16Å; H678-L683 HydrophobicContact CB-CD1 3.47Å; H678-L683 VanDerWaalsContact CB-CD1 3.47Å; H678-L683 VanDerWaalsContact O-CD1 3.28Å; H678-L683 WeakPolarHBondContact O-CD1 3.29Å; H678-R715 PolarHBondContact O-NH2 3.33Å
679	T	71.9	Confident	77.6	Confident	71 Å²	71	69 Å²	69	44%	0.436	38%	0.377	S	S	.	.			trans	-67.7	157.6	179.6	62.9	0	0	0	0	111.8	E681 E682 L683	T679-E681 PolarHBondContact O-N 2.89Å; T679-E681 VanDerWaalsContact O-N 3.15Å; T679-E682 WeakPolarHBondContact CG2-OE1 3.44Å; T679-E682 PolarHBondContact N-OE2 3.37Å; T679-E682 WeakPolarHBondContact O-CB 3.35Å; T679-E682 PolarHBondContact O-N 2.67Å; T679-E682 VanDerWaalsContact OG1-CG 3.31Å; T679-E682 WeakPolarHBondContact OG1-CG 3.31Å; T679-E682 PolarHBondContact OG1-N 3.05Å; T679-E682 PolarHBondContact OG1-OE1 2.88Å; T679-L683 VanDerWaalsContact O-CD1 3.23Å; T679-L683 WeakPolarHBondContact O-CD1 3.12Å; T679-L683 PolarHBondContact O-N 2.93Å
680	A	71.5	Confident	76.9	Confident	84 Å²	84	73.1 Å²	73.1	69%	0.694	40%	0.396	S	S	*	.	H	α-helix	trans	-59.6	-28.4	-178.5	0	0	0	0	0	113.1	S684	A680-S684 PolarHBondContact O-N 2.84Å
681	E	67.7	Low	76.4	Confident	149 Å²	149	75.9 Å²	75.9	70%	0.696	41%	0.407	S	S	*	.	H	α-helix	trans	-70.5	-46.5	173.8	-61.9	-179	-179.2	0	0	110.9	T679 L683 S684 I685	T679-E681 PolarHBondContact O-N 2.89Å; T679-E681 VanDerWaalsContact O-N 3.15Å; E681-L683 VanDerWaalsContact C-N 3.31Å; E681-L683 PolarHBondContact O-N 2.82Å; E681-S684 PolarHBondContact O-N 2.83Å; E681-S684 PolarHBondContact O-OG 2.8Å; E681-I685 WeakPolarHBondContact O-CG1 3.06Å; E681-I685 PolarHBondContact O-N 3.32Å
682	E	72.4	Confident	76.2	Confident	78 Å²	78	73.4 Å²	73.4	36%	0.364	40%	0.398	S	S	.	.	H	α-helix	trans	-58.3	-39.9	173.6	-71.1	156	-134.9	0	0	112.3	H678 T679 S684 I685 T686	H678-E682 WeakPolarHBondContact CA-OE2 3.3Å; H678-E682 HydrophobicContact CB-CB 4.15Å; H678-E682 WeakPolarHBondContact CB-OE2 3.32Å; H678-E682 IonicContact CE1-OE2 2.64Å; H678-E682 IonicContact CG-OE2 3.15Å; H678-E682 IonicContact ND1-OE2 2.83Å; H678-E682 PolarHBondContact ND1-OE2 3.16Å; T679-E682 WeakPolarHBondContact CG2-OE1 3.44Å; T679-E682 PolarHBondContact N-OE2 3.37Å; T679-E682 WeakPolarHBondContact O-CB 3.35Å; T679-E682 PolarHBondContact O-N 2.67Å; T679-E682 VanDerWaalsContact OG1-CG 3.31Å; T679-E682 WeakPolarHBondContact OG1-CG 3.31Å; T679-E682 PolarHBondContact OG1-N 3.05Å; T679-E682 PolarHBondContact OG1-OE1 2.88Å; E682-S684 PolarHBondContact O-N 2.86Å; E682-I685 PolarHBondContact O-N 2.92Å; E682-T686 VanDerWaalsContact O-CB 3.28Å; E682-T686 WeakPolarHBondContact O-CB 3.11Å; E682-T686 PolarHBondContact O-N 3.14Å; E682-T686 PolarHBondContact O-OG1 3.46Å
683	L	71.6	Confident	76.1	Confident	15 Å²	15	75.2 Å²	75.2	8%	0.079	41%	0.407	C	S	.	.	H	α-helix	trans	-59.5	-25.3	174.9	-94.4	70.5	0	0	0	113.3	H678 T679 E681 A713 V721	H678-L683 HydrophobicContact CB-CD1 3.47Å; H678-L683 VanDerWaalsContact CB-CD1 3.47Å; H678-L683 VanDerWaalsContact O-CD1 3.28Å; H678-L683 WeakPolarHBondContact O-CD1 3.29Å; T679-L683 VanDerWaalsContact O-CD1 3.23Å; T679-L683 WeakPolarHBondContact O-CD1 3.12Å; T679-L683 PolarHBondContact O-N 2.93Å; E681-L683 VanDerWaalsContact C-N 3.31Å; E681-L683 PolarHBondContact O-N 2.82Å; L683-A713 HydrophobicContact CB-CB 4.16Å; L683-A713 HydrophobicContact CD2-CB 3.58Å; L683-A713 HydrophobicContact CG-CB 3.71Å; L683-V721 HydrophobicContact CD2-CG1 4.18Å; L683-V721 HydrophobicContact CD2-CG2 4.31Å
684	S	70.4	Confident	76.3	Confident	93 Å²	93	72.3 Å²	72.3	65%	0.65	39%	0.388	S	S	*	.	H	α-helix	trans	-91.6	-24.4	179.8	75.2	0	0	0	0	114.1	A680 E681 E682	A680-S684 PolarHBondContact O-N 2.84Å; E681-S684 PolarHBondContact O-N 2.83Å; E681-S684 PolarHBondContact O-OG 2.8Å; E682-S684 PolarHBondContact O-N 2.86Å
685	I	64.4	Low	76.6	Confident	139 Å²	139	69.8 Å²	69.8	71%	0.713	38%	0.38	S	S	*	.	H	α-helix	trans	-95.1	-28.4	-177.7	-62.9	166.9	0	0	0	111.3	E681 E682	E681-I685 WeakPolarHBondContact O-CG1 3.06Å; E681-I685 PolarHBondContact O-N 3.32Å; E682-I685 PolarHBondContact O-N 2.92Å
686	T	67.5	Low	77	Confident	43 Å²	43	70.2 Å²	70.2	26%	0.264	38%	0.382	S	S	.	.	S	Bend	trans	-65.9	135.6	-178.7	-59.5	0	0	0	0	111.3	E682 L688 Y691	E682-T686 VanDerWaalsContact O-CB 3.28Å; E682-T686 WeakPolarHBondContact O-CB 3.11Å; E682-T686 PolarHBondContact O-N 3.14Å; E682-T686 PolarHBondContact O-OG1 3.46Å; T686-L688 VanDerWaalsContact C-N 3.35Å; T686-L688 PolarHBondContact O-N 3.04Å; T686-Y691 HydrophobicContact CG2-CE2 3.75Å
687	E	74.4	Confident	77.5	Confident	133 Å²	133	70.7 Å²	70.7	62%	0.621	38%	0.38	S	S	*	.			trans	-69.8	87.8	173.8	-69.6	-177.8	-167.6	0	0	111.1	E689 Q690	E687-E689 PolarHBondContact O-N 3.42Å; E687-E689 VanDerWaalsContact O-N 3.12Å; E687-Q690 HydrophobicContact CB-CG 4Å; E687-Q690 WeakPolarHBondContact O-CB 3.46Å; E687-Q690 PolarHBondContact O-N 3.43Å; E687-Q690 PolarHBondContact OE2-NE2 3.28Å
688	L	78.9	Confident	78.4	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.141	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-58	-24.4	-178.7	-64.4	155.8	0	0	0	113.2	L675 T686 Q690 Y691 I711 A713 L723	L675-L688 HydrophobicContact CD1-CD2 4.38Å; T686-L688 VanDerWaalsContact C-N 3.35Å; T686-L688 PolarHBondContact O-N 3.04Å; L688-Q690 PolarHBondContact O-N 2.75Å; L688-Y691 PolarHBondContact O-N 2.91Å; L688-I711 HydrophobicContact CB-CB 4.29Å; L688-I711 HydrophobicContact CB-CG2 3.77Å; L688-I711 HydrophobicContact CD1-CG2 4.48Å; L688-I711 WeakPolarHBondContact CD1-O 3.3Å; L688-A713 HydrophobicContact CD2-CB 3.74Å; L688-L723 HydrophobicContact CD2-CD2 3.48Å; L688-L723 VanDerWaalsContact CD2-CD2 3.48Å
689	E	76.6	Confident	78.9	Confident	129 Å²	129	69.5 Å²	69.5	60%	0.603	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-61	-19.4	174.5	-66.5	-169.1	-173.1	0	0	113.3	R109 E687 I711	R109-E689 IonicContact NH1-OE2 3.01Å; R109-E689 PolarHBondContact NH1-OE2 2.76Å; E687-E689 PolarHBondContact O-N 3.42Å; E687-E689 VanDerWaalsContact O-N 3.12Å; E689-I711 HydrophobicContact CG-CD1 4.33Å
690	Q	77.6	Confident	79.9	Confident	122 Å²	122	67 Å²	67	57%	0.57	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-81.6	-11.1	-179.2	-58.6	-172.9	12	0	0	114.3	E687 L688	E687-Q690 HydrophobicContact CB-CG 4Å; E687-Q690 WeakPolarHBondContact O-CB 3.46Å; E687-Q690 PolarHBondContact O-N 3.43Å; E687-Q690 PolarHBondContact OE2-NE2 3.28Å; L688-Q690 PolarHBondContact O-N 2.75Å
691	Y	81.9	Confident	80.9	Confident	60 Å²	60	64.5 Å²	64.5	24%	0.235	32%	0.321	C	S	.	.	S	Bend	trans	-86.9	173.4	-177.3	-72.3	-92.3	0	0	0	112.7	E672 K674 L675 T686 L688 N693 L723	E672-Y691 HydrophobicContact CG-CD1 3.89Å; K674-Y691 HydrophobicContact CB-CD1 4.46Å; K674-Y691 HydrophobicContact CB-CE1 4.01Å; L675-Y691 HydrophobicContact CD1-CD1 4.5Å; L675-Y691 HydrophobicContact CD1-CE1 4.44Å; L675-Y691 HydrophobicContact CD2-CE1 3.99Å; L675-Y691 HydrophobicContact CD2-CE2 4.08Å; L675-Y691 WeakPolarHBondContact CD2-OH 3.37Å; L675-Y691 HydrophobicContact CG-CD1 4.4Å; L675-Y691 HydrophobicContact CG-CE1 3.93Å; T686-Y691 HydrophobicContact CG2-CE2 3.75Å; L688-Y691 PolarHBondContact O-N 2.91Å; Y691-N693 PolarHBondContact O-N 3.44Å; Y691-N693 VanDerWaalsContact O-N 3.15Å; Y691-L723 HydrophobicContact CG-CD1 4.43Å
692	W	86	Confident	81.9	Confident	26 Å²	26	62.5 Å²	62.5	10%	0.098	31%	0.314	C	S	.	.			trans	-60.5	120.2	176.3	-175.7	100.5	0	0	0	109.6	V639 V641 W670 P694 E761 V762	V639-W692 HydrophobicContact CB-CH2 3.67Å; V639-W692 HydrophobicContact CB-CZ2 4.02Å; V639-W692 HydrophobicContact CB-CZ3 4.17Å; V639-W692 HydrophobicContact CG1-CE3 4.38Å; V639-W692 HydrophobicContact CG1-CH2 3.69Å; V639-W692 HydrophobicContact CG1-CZ2 4.42Å; V639-W692 HydrophobicContact CG1-CZ3 3.67Å; V639-W692 HydrophobicContact CG2-CH2 4.02Å; V639-W692 HydrophobicContact CG2-CZ2 3.91Å; V639-W692 HydrophobicContact CG2-CZ3 4.47Å; V641-W692 HydrophobicContact CG2-CH2 4.39Å; V641-W692 HydrophobicContact CG2-CZ3 4.44Å; W670-W692 AromaticContact CD1-CE3 3.77Å; W670-W692 AromaticContact CD1-CZ3 3.92Å; W670-W692 HydrophobicContact CG-CE3 4.45Å; W670-W692 HydrophobicContact CG-CZ3 4.18Å; W670-W692 AromaticContact NE1-CE3 3.73Å; W670-W692 PolarHBondContact NE1-O 3.24Å; W692-P694 HydrophobicContact CH2-CB 3.91Å; W692-P694 HydrophobicContact CZ3-CB 3.79Å; W692-P694 HydrophobicContact CZ3-CG 4.37Å; W692-E761 HydrophobicContact CZ2-CG 4.39Å; W692-E761 PolarHBondContact NE1-OE1 2.87Å; W692-V762 HydrophobicContact CH2-CG2 3.65Å; W692-V762 HydrophobicContact CZ2-CG2 3.63Å
693	N	87.1	Confident	82.4	Confident	39 Å²	39	61.8 Å²	61.8	21%	0.209	32%	0.318	C	S	.	.			trans	-112.1	131.5	178	170.8	-20.8	0	0	0	108.3	Y691 L695 R757	Y691-N693 PolarHBondContact O-N 3.44Å; Y691-N693 VanDerWaalsContact O-N 3.15Å; N693-L695 PolarHBondContact O-N 2.91Å; N693-L695 VanDerWaalsContact O-N 3.16Å; N693-L695 PolarHBondContact OD1-N 2.81Å; N693-R757 PolarHBondContact O-NH1 3.15Å; N693-R757 PolarHBondContact O-NH2 2.83Å
694	P	87.1	Confident	82.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.339	C	S	.	.			trans	-65.5	-9.4	-177.7	27	-35.8	0	0	0	116.3	V641 W670 W692 L696 T755	V641-P694 HydrophobicContact CG1-CB 4.49Å; V641-P694 HydrophobicContact CG1-CG 4.32Å; V641-P694 HydrophobicContact CG2-CB 3.91Å; V641-P694 HydrophobicContact CG2-CG 4.43Å; W670-P694 HydrophobicContact CD2-CG 4.26Å; W670-P694 HydrophobicContact CE3-CG 3.85Å; W670-P694 VanDerWaalsContact CH2-CD 3.45Å; W670-P694 HydrophobicContact CH2-CG 4.1Å; W670-P694 VanDerWaalsContact CZ2-CD 3.48Å; W670-P694 HydrophobicContact CZ2-CG 4.49Å; W670-P694 HydrophobicContact CZ3-CG 3.76Å; W692-P694 HydrophobicContact CH2-CB 3.91Å; W692-P694 HydrophobicContact CZ3-CB 3.79Å; W692-P694 HydrophobicContact CZ3-CG 4.37Å; P694-L696 HydrophobicContact CB-CG 4.23Å; P694-L696 HydrophobicContact CG-CD1 3.91Å; P694-L696 HydrophobicContact CG-CG 4Å; P694-T755 WeakPolarHBondContact O-CG2 3.45Å
695	L	88.1	Confident	82.1	Confident	67 Å²	67	65.6 Å²	65.6	35%	0.351	33%	0.33	S	S	.	.			trans	56.4	57.9	-178.9	-57.8	175.3	0	0	0	112.2	N693 T755 E756	N693-L695 PolarHBondContact O-N 2.91Å; N693-L695 VanDerWaalsContact O-N 3.16Å; N693-L695 PolarHBondContact OD1-N 2.81Å; L695-T755 WeakPolarHBondContact O-CA 3.09Å; L695-E756 HydrophobicContact CB-CB 3.96Å; L695-E756 HydrophobicContact CB-CG 4.21Å; L695-E756 HydrophobicContact CD1-CB 4.37Å; L695-E756 PolarHBondContact O-N 2.86Å
696	L	90.7	Very high	81.8	Confident	9 Å²	9	68.8 Å²	68.8	5%	0.047	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.8	178.2	-67.9	163.6	0	0	0	111.2	V641 V643 A668 P694 R727 V753 T754 T755 I764	V641-L696 HydrophobicContact CG1-CD1 4.41Å; V643-L696 HydrophobicContact CG2-CD1 4.48Å; A668-L696 HydrophobicContact CB-CD1 3.29Å; P694-L696 HydrophobicContact CB-CG 4.23Å; P694-L696 HydrophobicContact CG-CD1 3.91Å; P694-L696 HydrophobicContact CG-CG 4Å; L696-R727 PolarHBondContact O-NH1 2.9Å; L696-V753 HydrophobicContact CD2-CG1 3.84Å; L696-T754 WeakPolarHBondContact CA-O 3.39Å; L696-T755 HydrophobicContact CD2-CG2 3.46Å; L696-T755 VanDerWaalsContact CD2-CG2 3.46Å; L696-T755 HydrophobicContact CG-CG2 4.24Å; L696-I764 HydrophobicContact CD2-CD1 4.3Å
697	Y	90.3	Very high	81.8	Confident	73 Å²	73	69 Å²	69	29%	0.286	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	168.5	170.6	69.8	-90.2	0	0	0	110.5	D699 T754 E756	Y697-D699 HydrophobicContact CE2-CB 4.42Å; Y697-T754 HydrophobicContact CE1-CG2 4Å; Y697-T754 HydrophobicContact CE2-CG2 4.31Å; Y697-T754 PolarHBondContact N-O 3.34Å; Y697-T754 PolarHBondContact O-N 3.35Å; Y697-T754 VanDerWaalsContact O-O 3.13Å; Y697-T754 WeakPolarHBondContact OH-CG2 3.44Å; Y697-E756 HydrophobicContact CD1-CG 3.8Å; Y697-E756 HydrophobicContact CE1-CG 3.99Å
698	I	92.2	Very high	81.9	Confident	12 Å²	12	66 Å²	66	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.6	176.2	-63	172.5	0	0	0	107.7	I701 I729 F733 I751 T752	I698-I701 HydrophobicContact CB-CB 4.27Å; I698-I701 HydrophobicContact CB-CG2 4.03Å; I698-I701 HydrophobicContact CG2-CB 3.93Å; I698-I701 HydrophobicContact CG2-CG2 4.19Å; I698-I701 WeakPolarHBondContact O-CG2 3.48Å; I698-I729 HydrophobicContact CD1-CB 4.15Å; I698-I729 HydrophobicContact CD1-CD1 3.76Å; I698-I729 HydrophobicContact CD1-CG1 3.62Å; I698-I729 HydrophobicContact CD1-CG2 3.74Å; I698-F733 HydrophobicContact CD1-CE1 4.4Å; I698-F733 HydrophobicContact CG2-CD1 4.38Å; I698-F733 HydrophobicContact CG2-CE1 4.06Å; I698-I751 HydrophobicContact CD1-CG2 4.39Å; I698-I751 HydrophobicContact CG2-CG2 4.33Å; I698-T752 WeakPolarHBondContact CA-O 3.13Å
699	D	89.5	Confident	82	Confident	90 Å²	90	68.7 Å²	68.7	48%	0.481	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-36.9	-174	-164.4	53.8	0	0	0	112	Y697 T752	Y697-D699 HydrophobicContact CE2-CB 4.42Å; D699-T752 HydrophobicContact CB-CG2 3.94Å; D699-T752 PolarHBondContact N-O 3.41Å
700	N	92.4	Very high	82.4	Confident	20 Å²	20	70.7 Å²	70.7	11%	0.107	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	24.1	-172.8	74.6	-48.5	0	0	0	115	F733 L734 T750 T752	N700-F733 CarbonylContact O-C 3.6Å; N700-F733 VanDerWaalsContact O-CA 3.28Å; N700-F733 WeakPolarHBondContact O-CA 3.3Å; N700-L734 PolarHBondContact ND2-O 3.12Å; N700-L734 PolarHBondContact O-N 3.01Å; N700-T750 PolarHBondContact ND2-O 2.86Å; N700-T752 PolarHBondContact OD1-N 2.68Å
701	I	92.1	Very high	82.8	Confident	30 Å²	30	66.7 Å²	66.7	15%	0.154	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.8	175.4	-166	155.8	0	0	0	111.2	I698 E704 I729 F733	I698-I701 HydrophobicContact CB-CB 4.27Å; I698-I701 HydrophobicContact CB-CG2 4.03Å; I698-I701 HydrophobicContact CG2-CB 3.93Å; I698-I701 HydrophobicContact CG2-CG2 4.19Å; I698-I701 WeakPolarHBondContact O-CG2 3.48Å; I701-E704 HydrophobicContact CD1-CG 3.81Å; I701-E704 HydrophobicContact CG1-CG 4.09Å; I701-E704 HydrophobicContact CG2-CG 4.17Å; I701-I729 HydrophobicContact CD1-CG2 3.61Å; I701-F733 HydrophobicContact CD1-CE1 4.33Å; I701-F733 HydrophobicContact CD1-CZ 4.36Å
702	L	89.6	Confident	83	Confident	107 Å²	107	67.2 Å²	67.2	56%	0.56	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	-26.9	179.6	-179.4	61.1	0	0	0	112.6	L659 V732	L659-L702 HydrophobicContact CD1-CD2 3.93Å; L659-L702 HydrophobicContact CD2-CD2 3.76Å; L702-V732 PolarHBondContact N-O 2.74Å
703	S	81.3	Confident	83	Confident	64 Å²	64	66.9 Å²	66.9	45%	0.448	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	110.5	-178.6	-65.7	0	0	0	0	110.3	G731 V732	S703-G731 WeakPolarHBondContact O-CA 3.21Å; S703-V732 PolarHBondContact O-N 2.63Å
704	E	70.8	Confident	82.9	Confident	113 Å²	113	67.4 Å²	67.4	53%	0.528	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	139	174.1	-66.4	-178.8	166.7	0	0	110.7	I701	I701-E704 HydrophobicContact CD1-CG 3.81Å; I701-E704 HydrophobicContact CG1-CG 4.09Å; I701-E704 HydrophobicContact CG2-CG 4.17Å
705	T	64.9	Low	82.7	Confident	74 Å²	74	72.7 Å²	72.7	45%	0.454	36%	0.358	S	S	.	.			trans	-109.4	153.8	159.2	65.5	0	0	0	0	108.6	D707 K730	T705-D707 PolarHBondContact O-N 2.88Å; T705-K730 PolarHBondContact N-O 3.07Å; T705-K730 VanDerWaalsContact N-O 3.14Å; T705-K730 VanDerWaalsContact OG1-CB 3.23Å; T705-K730 WeakPolarHBondContact OG1-CB 3.31Å; T705-K730 PolarHBondContact OG1-O 3.23Å
706	K	58.6	Low	82.4	Confident	207 Å²	207	72.4 Å²	72.4	90%	0.9	36%	0.357	S	S	*	.			trans	-40.1	100.9	-169.2	-66.1	-176.4	178.8	-176.8	0	113.6	T708	K706-T708 PolarHBondContact O-N 3.15Å
707	D	67.5	Low	81.7	Confident	48 Å²	48	79.6 Å²	79.6	26%	0.257	39%	0.39	S	S	.	.			trans	-59.9	125.5	175.3	-98.6	16.2	0	0	0	109.8	T705 R727	T705-D707 PolarHBondContact O-N 2.88Å; D707-R727 IonicContact OD2-CZ 2.68Å; D707-R727 VanDerWaalsContact OD2-CZ 3.24Å; D707-R727 IonicContact OD2-NE 2.74Å; D707-R727 PolarHBondContact OD2-NE 3.27Å; D707-R727 IonicContact OD2-NH2 3.3Å; D707-R727 PolarHBondContact OD2-NH2 2.84Å
708	T	76.1	Confident	81.1	Confident	68 Å²	68	85 Å²	85	42%	0.417	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	101	167.3	53	0	0	0	0	108	K706 R727 R728	K706-T708 PolarHBondContact O-N 3.15Å; T708-R727 WeakPolarHBondContact O-CA 3.39Å; T708-R728 PolarHBondContact O-N 3.38Å
709	Q	80.9	Confident	80.4	Confident	84 Å²	84	85.5 Å²	85.5	39%	0.393	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.7	176.9	-172.8	-177.6	23.3	0	0	109.4	E725 R726 R727	Q709-E725 HydrophobicContact CG-CG 4.22Å; Q709-E725 PolarHBondContact NE2-OE1 2.84Å; Q709-R726 CarbonylContact C-O 3.6Å; Q709-R726 WeakPolarHBondContact CA-O 3.19Å; Q709-R727 HydrophobicContact CB-CG 3.93Å; Q709-R727 HydrophobicContact CG-CG 3.84Å
710	W	85.1	Confident	80.2	Confident	172 Å²	172	83.6 Å²	83.6	65%	0.652	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	128.3	177.3	-50.5	83.2	0	0	0	108.1	E725 R726	W710-E725 CarbonylContact O-C 3.6Å; W710-E725 WeakPolarHBondContact O-CA 3.39Å; W710-R726 HydrophobicContact CB-CB 4.42Å; W710-R726 PolarHBondContact N-O 2.69Å; W710-R726 PolarHBondContact O-N 3.23Å
711	I	86.3	Confident	80	Confident	37 Å²	37	82.6 Å²	82.6	19%	0.19	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.9	175.8	-54	177.9	0	0	0	107.8	L688 E689 M724	L688-I711 HydrophobicContact CB-CB 4.29Å; L688-I711 HydrophobicContact CB-CG2 3.77Å; L688-I711 HydrophobicContact CD1-CG2 4.48Å; L688-I711 WeakPolarHBondContact CD1-O 3.3Å; E689-I711 HydrophobicContact CG-CD1 4.33Å; I711-M724 WeakPolarHBondContact CA-O 3.36Å
712	M	86.9	Confident	79.8	Confident	71 Å²	71	83 Å²	83	35%	0.35	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	138.3	178.9	58.2	-173.3	-74.7	0	0	110.3	V714 M724 R726	M712-V714 HydrophobicContact CE-CG2 3.8Å; M712-V714 HydrophobicContact CG-CG2 4.38Å; M712-M724 HydrophobicContact CG-CB 3.96Å; M712-M724 HydrophobicContact CG-CG 4.32Å; M712-M724 WeakPolarHBondContact CG-O 3.43Å; M712-M724 HydrophobicContact CG-SD 4.4Å; M712-M724 PolarHBondContact N-O 3Å; M712-M724 PolarHBondContact O-N 2.72Å; M712-M724 HydrophobicContact SD-SD 4.15Å; M712-R726 PolarHBondContact SD-NH1 3.41Å; M712-R726 VanDerWaalsContact SD-NH1 3.44Å
713	A	86.3	Confident	79.8	Confident	20 Å²	20	78 Å²	78	17%	0.165	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.7	170.7	0	0	0	0	0	110.4	L683 L688 V721 L723	L683-A713 HydrophobicContact CB-CB 4.16Å; L683-A713 HydrophobicContact CD2-CB 3.58Å; L683-A713 HydrophobicContact CG-CB 3.71Å; L688-A713 HydrophobicContact CD2-CB 3.74Å; A713-V721 HydrophobicContact CB-CG1 3.91Å; A713-L723 HydrophobicContact CB-CD2 4.21Å
714	V	84.8	Confident	80.2	Confident	49 Å²	49	75.7 Å²	75.7	30%	0.297	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.2	178.6	-178.2	0	0	0	0	108.4	M712 Y722 M724	M712-V714 HydrophobicContact CE-CG2 3.8Å; M712-V714 HydrophobicContact CG-CG2 4.38Å; V714-Y722 PolarHBondContact N-O 2.89Å; V714-Y722 PolarHBondContact O-N 2.98Å; V714-M724 HydrophobicContact CG2-CB 4.14Å; V714-M724 HydrophobicContact CG2-CE 4.16Å; V714-M724 HydrophobicContact CG2-SD 4.33Å
715	R	83	Confident	81.2	Confident	112 Å²	112	70.4 Å²	70.4	42%	0.423	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.8	176	-175.8	-177.7	-80.9	-120.1	4.7	110	H678 E720	H678-R715 PolarHBondContact O-NH2 3.33Å; R715-E720 CarbonylContact C-O 3.53Å; R715-E720 WeakPolarHBondContact CA-O 3.28Å
716	N	81.2	Confident	82.4	Confident	61 Å²	61	70.5 Å²	70.5	33%	0.326	33%	0.326	S	S	.	.			trans	-80.1	164.5	173.1	-163.7	9.4	0	0	0	110.9	Y718 G719 E720 Y722	N716-Y718 PolarHBondContact O-N 3.32Å; N716-Y718 VanDerWaalsContact O-N 3.14Å; N716-G719 PolarHBondContact O-N 3.4Å; N716-E720 HydrophobicContact CB-CB 4.49Å; N716-E720 PolarHBondContact N-O 3.36Å; N716-Y722 HydrophobicContact CB-CD2 4.26Å; N716-Y722 HydrophobicContact CB-CE2 4.1Å
717	E	75.5	Confident	84	Confident	159 Å²	159	62 Å²	62	74%	0.743	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28	-178.5	-60.8	-174.3	169	0	0	113	G719	E717-G719 PolarHBondContact O-N 3.19Å
718	Y	77.4	Confident	85.1	Confident	186 Å²	186	64.6 Å²	64.6	73%	0.729	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	1.5	174.6	-56.5	-75.4	0	0	0	114.5	N716 E720	N716-Y718 PolarHBondContact O-N 3.32Å; N716-Y718 VanDerWaalsContact O-N 3.14Å; Y718-E720 VanDerWaalsContact C-N 3.29Å; Y718-E720 PolarHBondContact O-N 2.88Å
719	G	78.4	Confident	85.9	Confident	24 Å²	24	61.5 Å²	61.5	25%	0.247	28%	0.276	C	S	.	.	S	Bend	trans	84.8	-6.2	-178.6	0	0	0	0	0	115.1	N716 E717	N716-G719 PolarHBondContact O-N 3.4Å; E717-G719 PolarHBondContact O-N 3.19Å
720	E	85.8	Confident	86.4	Confident	49 Å²	49	60.8 Å²	60.8	23%	0.229	27%	0.271	C	S	.	.			trans	-69	139.9	177.3	-50.9	-176.2	110	0	0	111.8	R671 D676 R715 N716 Y718 Y722	R671-E720 IonicContact CZ-OE1 3.66Å; R671-E720 IonicContact NE-OE1 3.63Å; R671-E720 PolarHBondContact NE-OE1 3.05Å; R671-E720 IonicContact NH2-OE1 2.83Å; R671-E720 PolarHBondContact NH2-OE1 3.26Å; D676-E720 WeakPolarHBondContact OD1-CA 3.47Å; R715-E720 CarbonylContact C-O 3.53Å; R715-E720 WeakPolarHBondContact CA-O 3.28Å; N716-E720 HydrophobicContact CB-CB 4.49Å; N716-E720 PolarHBondContact N-O 3.36Å; Y718-E720 VanDerWaalsContact C-N 3.29Å; Y718-E720 PolarHBondContact O-N 2.88Å; E720-Y722 HydrophobicContact CB-CE2 4.31Å
721	V	86.9	Confident	86.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.3	178.1	-177.6	0	0	0	0	111.2	E672 L675 D676 L683 A713	E672-V721 PolarHBondContact N-O 3.35Å; L675-V721 HydrophobicContact CB-CB 3.74Å; L675-V721 HydrophobicContact CB-CG1 3.65Å; L675-V721 HydrophobicContact CB-CG2 4.08Å; L675-V721 HydrophobicContact CD1-CG1 4.01Å; L675-V721 HydrophobicContact CG-CG1 4.48Å; L675-V721 WeakPolarHBondContact O-CG2 3.48Å; D676-V721 PolarHBondContact OD1-N 2.96Å; L683-V721 HydrophobicContact CD2-CG1 4.18Å; L683-V721 HydrophobicContact CD2-CG2 4.31Å; A713-V721 HydrophobicContact CB-CG1 3.91Å
722	Y	88.4	Confident	87	Confident	39 Å²	39	53 Å²	53	15%	0.153	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.9	169.7	-73.6	-102.3	0	0	0	109.7	K669 W670 R671 V714 N716 E720	K669-Y722 HydrophobicContact CD-CD1 4.24Å; K669-Y722 HydrophobicContact CD-CG 4.48Å; K669-Y722 HydrophobicContact CG-CD1 3.71Å; K669-Y722 HydrophobicContact CG-CG 4.2Å; W670-Y722 CarbonylContact O-C 3.6Å; W670-Y722 WeakPolarHBondContact O-CA 3.47Å; R671-Y722 HydrophobicContact CB-CD1 4.23Å; R671-Y722 HydrophobicContact CB-CE1 3.98Å; R671-Y722 HydrophobicContact CG-CE1 4.47Å; V714-Y722 PolarHBondContact N-O 2.89Å; V714-Y722 PolarHBondContact O-N 2.98Å; N716-Y722 HydrophobicContact CB-CD2 4.26Å; N716-Y722 HydrophobicContact CB-CE2 4.1Å; E720-Y722 HydrophobicContact CB-CE2 4.31Å
723	L	90.3	Very high	87.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.5	164.9	-70	176.3	0	0	0	108.3	K669 W670 E672 L675 L688 Y691 A713	K669-L723 CarbonylContact C-O 3.59Å; K669-L723 VanDerWaalsContact CA-O 3.31Å; K669-L723 WeakPolarHBondContact CA-O 3.44Å; W670-L723 HydrophobicContact CD2-CB 4.04Å; W670-L723 HydrophobicContact CG-CB 4.47Å; W670-L723 HydrophobicContact CH2-CB 4.39Å; W670-L723 HydrophobicContact CZ2-CB 3.7Å; W670-L723 HydrophobicContact CZ2-CD1 4.07Å; W670-L723 PolarHBondContact N-O 3.35Å; W670-L723 PolarHBondContact O-N 3Å; E672-L723 HydrophobicContact CB-CD1 3.88Å; E672-L723 HydrophobicContact CB-CG 3.88Å; E672-L723 HydrophobicContact CG-CD1 3.96Å; E672-L723 HydrophobicContact CG-CG 4.38Å; L675-L723 HydrophobicContact CD1-CD2 3.71Å; L675-L723 HydrophobicContact CD1-CG 4.18Å; L688-L723 HydrophobicContact CD2-CD2 3.48Å; L688-L723 VanDerWaalsContact CD2-CD2 3.48Å; Y691-L723 HydrophobicContact CG-CD1 4.43Å; A713-L723 HydrophobicContact CB-CD2 4.21Å
724	M	89.9	Confident	87.8	Confident	15 Å²	15	53.1 Å²	53.1	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.6	176.9	179.8	-175.8	-72	0	0	109.2	Q667 A668 K669 I711 M712 V714 R726	Q667-M724 HydrophobicContact CG-CG 3.85Å; Q667-M724 HydrophobicContact CG-SD 4.08Å; Q667-M724 PolarHBondContact OE1-SD 2.89Å; A668-M724 CarbonylContact O-C 3.59Å; A668-M724 VanDerWaalsContact O-CA 3.32Å; A668-M724 WeakPolarHBondContact O-CA 3.46Å; K669-M724 HydrophobicContact CD-CE 4.2Å; I711-M724 WeakPolarHBondContact CA-O 3.36Å; M712-M724 HydrophobicContact CG-CB 3.96Å; M712-M724 HydrophobicContact CG-CG 4.32Å; M712-M724 WeakPolarHBondContact CG-O 3.43Å; M712-M724 HydrophobicContact CG-SD 4.4Å; M712-M724 PolarHBondContact N-O 3Å; M712-M724 PolarHBondContact O-N 2.72Å; M712-M724 HydrophobicContact SD-SD 4.15Å; V714-M724 HydrophobicContact CG2-CB 4.14Å; V714-M724 HydrophobicContact CG2-CE 4.16Å; V714-M724 HydrophobicContact CG2-SD 4.33Å; M724-R726 HydrophobicContact CG-CG 4.32Å; M724-R726 HydrophobicContact SD-CG 4.48Å; M724-R726 PolarHBondContact SD-NE 3.16Å; M724-R726 VanDerWaalsContact SD-NE 3.45Å
725	E	91	Very high	88.2	Confident	3 Å²	3	51.9 Å²	51.9	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.3	171.7	-179	-176	-176.1	0	0	109.6	Q667 A668 W670 Q709 W710 R727	Q667-E725 CarbonylContact C-O 3.55Å; Q667-E725 VanDerWaalsContact CA-O 3.3Å; Q667-E725 WeakPolarHBondContact CA-O 3.23Å; A668-E725 HydrophobicContact CB-CB 4.43Å; A668-E725 PolarHBondContact N-O 3.32Å; A668-E725 PolarHBondContact O-N 3.01Å; W670-E725 HydrophobicContact CH2-CB 3.8Å; W670-E725 HydrophobicContact CZ3-CB 3.64Å; Q709-E725 HydrophobicContact CG-CG 4.22Å; Q709-E725 PolarHBondContact NE2-OE1 2.84Å; W710-E725 CarbonylContact O-C 3.6Å; W710-E725 WeakPolarHBondContact O-CA 3.39Å; E725-R727 HydrophobicContact CG-CG 4.42Å; E725-R727 WeakPolarHBondContact OE1-CD 2.91Å; E725-R727 IonicContact OE1-NH1 2.8Å
726	R	91.3	Very high	88.6	Confident	75 Å²	75	51.6 Å²	51.6	28%	0.283	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.2	176.9	-71.9	174.6	161.2	173.1	-0.9	109.2	F665 L666 Q667 Q709 W710 M712 M724	F665-R726 HydrophobicContact CE2-CB 4.03Å; F665-R726 HydrophobicContact CE2-CG 4.36Å; F665-R726 HydrophobicContact CZ-CB 3.88Å; F665-R726 HydrophobicContact CZ-CG 3.7Å; L666-R726 WeakPolarHBondContact O-CA 3.45Å; Q667-R726 HydrophobicContact CB-CG 4.46Å; Q667-R726 HydrophobicContact CG-CG 4.11Å; Q709-R726 CarbonylContact C-O 3.6Å; Q709-R726 WeakPolarHBondContact CA-O 3.19Å; W710-R726 HydrophobicContact CB-CB 4.42Å; W710-R726 PolarHBondContact N-O 2.69Å; W710-R726 PolarHBondContact O-N 3.23Å; M712-R726 PolarHBondContact SD-NH1 3.41Å; M712-R726 VanDerWaalsContact SD-NH1 3.44Å; M724-R726 HydrophobicContact CG-CG 4.32Å; M724-R726 HydrophobicContact SD-CG 4.48Å; M724-R726 PolarHBondContact SD-NE 3.16Å; M724-R726 VanDerWaalsContact SD-NE 3.45Å
727	R	90.8	Very high	89.1	Confident	29 Å²	29	49 Å²	49	11%	0.109	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134	178.4	-78.3	170.4	66.5	177.3	2.8	110.3	L666 L696 D707 T708 Q709 E725 I729	L666-R727 HydrophobicContact CB-CB 4.31Å; L666-R727 PolarHBondContact N-O 2.81Å; L666-R727 PolarHBondContact O-N 2.87Å; L696-R727 PolarHBondContact O-NH1 2.9Å; D707-R727 IonicContact OD2-CZ 2.68Å; D707-R727 VanDerWaalsContact OD2-CZ 3.24Å; D707-R727 IonicContact OD2-NE 2.74Å; D707-R727 PolarHBondContact OD2-NE 3.27Å; D707-R727 IonicContact OD2-NH2 3.3Å; D707-R727 PolarHBondContact OD2-NH2 2.84Å; T708-R727 WeakPolarHBondContact O-CA 3.39Å; Q709-R727 HydrophobicContact CB-CG 3.93Å; Q709-R727 HydrophobicContact CG-CG 3.84Å; E725-R727 HydrophobicContact CG-CG 4.42Å; E725-R727 WeakPolarHBondContact OE1-CD 2.91Å; E725-R727 IonicContact OE1-NH1 2.8Å; R727-I729 HydrophobicContact CB-CD1 4.24Å
728	R	91.7	Very high	89.8	Confident	102 Å²	102	48.4 Å²	48.4	39%	0.385	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.7	166.4	-175	179.3	-177.4	175.4	2.4	108.9	L648 D663 T708 K730	L648-R728 HydrophobicContact CD1-CG 4.38Å; D663-R728 WeakPolarHBondContact OD1-CG 3.2Å; D663-R728 IonicContact OD1-CZ 3.91Å; D663-R728 IonicContact OD1-NE 2.78Å; D663-R728 PolarHBondContact OD1-NE 2.81Å; D663-R728 IonicContact OD1-NH2 2.7Å; D663-R728 IonicContact OD2-CZ 3.58Å; D663-R728 IonicContact OD2-NE 2.7Å; D663-R728 PolarHBondContact OD2-NE 2.82Å; D663-R728 IonicContact OD2-NH2 3.65Å; D663-R728 PolarHBondContact OD2-NH2 2.98Å; T708-R728 PolarHBondContact O-N 3.38Å; R728-K730 VanDerWaalsContact CZ-CE 3.49Å; R728-K730 VanDerWaalsContact NE-CE 3.27Å
729	I	91.2	Very high	90.4	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132	178.2	-58.3	109.4	0	0	0	108.9	D663 A664 L666 I698 I701 R727 F733	D663-I729 WeakPolarHBondContact CA-O 2.97Å; A664-I729 PolarHBondContact N-O 3.4Å; A664-I729 PolarHBondContact O-N 3.17Å; L666-I729 HydrophobicContact CB-CD1 3.37Å; L666-I729 HydrophobicContact CD2-CD1 4.02Å; L666-I729 HydrophobicContact CG-CD1 4.34Å; I698-I729 HydrophobicContact CD1-CB 4.15Å; I698-I729 HydrophobicContact CD1-CD1 3.76Å; I698-I729 HydrophobicContact CD1-CG1 3.62Å; I698-I729 HydrophobicContact CD1-CG2 3.74Å; I701-I729 HydrophobicContact CD1-CG2 3.61Å; R727-I729 HydrophobicContact CB-CD1 4.24Å; I729-F733 HydrophobicContact CG2-CZ 3.88Å
730	K	91.6	Very high	91	Very high	68 Å²	68	41.6 Å²	41.6	30%	0.296	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	119.2	170.5	-75.5	176.2	-175.7	177.3	0	108.2	D663 T705 R728	D663-K730 HydrophobicContact CB-CG 4.02Å; D663-K730 VanDerWaalsContact CG-CE 3.5Å; D663-K730 WeakPolarHBondContact OD1-CE 3.3Å; D663-K730 WeakPolarHBondContact OD1-CG 3.38Å; D663-K730 WeakPolarHBondContact OD2-CE 3.04Å; T705-K730 PolarHBondContact N-O 3.07Å; T705-K730 VanDerWaalsContact N-O 3.14Å; T705-K730 VanDerWaalsContact OG1-CB 3.23Å; T705-K730 WeakPolarHBondContact OG1-CB 3.31Å; T705-K730 PolarHBondContact OG1-O 3.23Å; R728-K730 VanDerWaalsContact CZ-CE 3.49Å; R728-K730 VanDerWaalsContact NE-CE 3.27Å
731	G	91.1	Very high	91.2	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	179.9	-174.3	0	0	0	0	0	113.8	Y661 A662 S703	Y661-G731 WeakPolarHBondContact CD2-O 3.27Å; A662-G731 PolarHBondContact N-O 2.92Å; A662-G731 VanDerWaalsContact N-O 3.13Å; A662-G731 PolarHBondContact O-N 2.86Å; S703-G731 WeakPolarHBondContact O-CA 3.21Å
732	V	93.9	Very high	91.4	Very high	43 Å²	43	41.5 Å²	41.5	26%	0.261	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.1	169.7	-177.1	0	0	0	0	107.6	L659 Y661 L702 S703	L659-V732 HydrophobicContact CB-CG1 3.78Å; L659-V732 HydrophobicContact CD1-CG1 3.99Å; L659-V732 HydrophobicContact CD2-CG1 4.15Å; L659-V732 HydrophobicContact CG-CG1 4.18Å; Y661-V732 HydrophobicContact CD2-CG2 4.34Å; L702-V732 PolarHBondContact N-O 2.74Å; S703-V732 PolarHBondContact O-N 2.63Å
733	F	94.6	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.8	-178.4	-61.6	-97	0	0	0	109.7	L659 Y660 A662 I698 N700 I701 I729 I751	L659-F733 WeakPolarHBondContact CA-O 3.41Å; Y660-F733 HydrophobicContact CD1-CB 3.94Å; Y660-F733 HydrophobicContact CE1-CB 3.45Å; Y660-F733 VanDerWaalsContact CE1-CB 3.45Å; Y660-F733 HydrophobicContact CE1-CG 4.31Å; Y660-F733 HydrophobicContact CE2-CB 4.13Å; Y660-F733 HydrophobicContact CE2-CD2 4.02Å; Y660-F733 HydrophobicContact CE2-CG 4.24Å; Y660-F733 HydrophobicContact CG-CB 4.46Å; Y660-F733 AromaticContact CZ-CG 3.9Å; Y660-F733 PolarHBondContact N-O 2.8Å; Y660-F733 PolarHBondContact O-N 3.49Å; A662-F733 HydrophobicContact CB-CD2 4.03Å; A662-F733 HydrophobicContact CB-CE2 3.75Å; I698-F733 HydrophobicContact CD1-CE1 4.4Å; I698-F733 HydrophobicContact CG2-CD1 4.38Å; I698-F733 HydrophobicContact CG2-CE1 4.06Å; N700-F733 CarbonylContact O-C 3.6Å; N700-F733 VanDerWaalsContact O-CA 3.28Å; N700-F733 WeakPolarHBondContact O-CA 3.3Å; I701-F733 HydrophobicContact CD1-CE1 4.33Å; I701-F733 HydrophobicContact CD1-CZ 4.36Å; I729-F733 HydrophobicContact CG2-CZ 3.88Å; F733-I751 HydrophobicContact CD1-CG1 4.16Å; F733-I751 HydrophobicContact CE1-CD1 4.1Å; F733-I751 HydrophobicContact CE1-CG1 3.9Å; F733-I751 HydrophobicContact CE1-CG2 4.17Å; F733-I751 HydrophobicContact CZ-CD1 4.06Å; F733-I751 HydrophobicContact CZ-CG1 4.33Å
734	L	94.2	Very high	91.4	Very high	94 Å²	94	40.3 Å²	40.3	49%	0.492	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.8	173.4	-176.7	70	0	0	0	109.6	L659 N700	L659-L734 HydrophobicContact CD2-CB 4.25Å; L659-L734 HydrophobicContact CD2-CD1 3.73Å; N700-L734 PolarHBondContact ND2-O 3.12Å; N700-L734 PolarHBondContact O-N 3.01Å
735	E	93.5	Very high	91.5	Very high	24 Å²	24	39.6 Å²	39.6	11%	0.112	19%	0.193	C	C	.	.			trans	-149.5	121.2	178.8	-169	64.6	-112.5	0	0	111.1	E658 Y660 L737 D748 T750	E658-E735 CarbonylContact C-O 3.56Å; E658-E735 WeakPolarHBondContact CB-O 3.36Å; E658-E735 PolarHBondContact O-N 3.2Å; E658-E735 VanDerWaalsContact O-O 3.12Å; Y660-E735 HydrophobicContact CD1-CB 3.9Å; Y660-E735 HydrophobicContact CE1-CB 3.96Å; E735-L737 HydrophobicContact CB-CD2 4.5Å; E735-L737 HydrophobicContact CG-CD2 4.3Å; E735-L737 PolarHBondContact O-N 2.82Å; E735-D748 VanDerWaalsContact CG-O 3.23Å; E735-D748 WeakPolarHBondContact CG-O 3.38Å; E735-T750 WeakPolarHBondContact OE2-CA 3.22Å; E735-T750 WeakPolarHBondContact OE2-CB 3.48Å; E735-T750 VanDerWaalsContact OE2-CG2 3.3Å; E735-T750 WeakPolarHBondContact OE2-CG2 3.46Å; E735-T750 PolarHBondContact OE2-N 3.32Å; E735-T750 PolarHBondContact OE2-OG1 3.33Å
736	T	91.4	Very high	91.6	Very high	105 Å²	105	40.9 Å²	40.9	64%	0.644	20%	0.201	S	C	*	.			trans	-73.4	118.6	179.4	52	0	0	0	0	110.5
737	L	91.6	Very high	91.7	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.188	C	C	.	.			trans	-94.2	127.1	-171	-58.3	-179.1	0	0	0	111.8	T655 E658 E735 L739 Q747	T655-L737 HydrophobicContact CG2-CD1 4.1Å; E658-L737 PolarHBondContact OE1-N 3.18Å; E735-L737 HydrophobicContact CB-CD2 4.5Å; E735-L737 HydrophobicContact CG-CD2 4.3Å; E735-L737 PolarHBondContact O-N 2.82Å; L737-L739 HydrophobicContact CB-CD2 4.39Å; L737-L739 HydrophobicContact CB-CG 4.28Å; L737-L739 PolarHBondContact O-N 2.83Å; L737-Q747 HydrophobicContact CD2-CB 4.09Å; L737-Q747 HydrophobicContact CD2-CG 4.02Å
738	E	90.9	Very high	91.8	Very high	147 Å²	147	38 Å²	38	69%	0.687	19%	0.193	S	C	*	.			trans	-85.4	97.9	178.2	-67.8	-171.3	-177.3	0	0	110.1	Q747	E738-Q747 PolarHBondContact O-NE2 2.85Å
739	L	90.8	Very high	91.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.			trans	-98.9	6.9	-172.1	-61.4	169.6	0	0	0	114	L737 D741 F742 L876 P877 I879 Y881 T883	L737-L739 HydrophobicContact CB-CD2 4.39Å; L737-L739 HydrophobicContact CB-CG 4.28Å; L737-L739 PolarHBondContact O-N 2.83Å; L739-D741 PolarHBondContact O-N 2.73Å; L739-F742 HydrophobicContact CB-CB 4.46Å; L739-F742 HydrophobicContact CD2-CD2 4.04Å; L739-F742 VanDerWaalsContact O-CB 3.26Å; L739-F742 WeakPolarHBondContact O-CB 3.19Å; L739-F742 PolarHBondContact O-N 3.32Å; L739-L876 HydrophobicContact CD1-CD2 4.24Å; L739-P877 HydrophobicContact CD1-CG 3.39Å; L739-I879 HydrophobicContact CB-CD1 4.3Å; L739-I879 HydrophobicContact CD1-CG2 4.38Å; L739-Y881 HydrophobicContact CB-CE2 4.21Å; L739-Y881 PolarHBondContact N-OH 3.06Å; L739-T883 WeakPolarHBondContact O-CG2 3.25Å
740	N	90.2	Very high	92.1	Very high	67 Å²	67	34 Å²	34	36%	0.358	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-36.6	-178.6	-81.2	-58.2	0	0	0	113.5	Y881 T883 Y884	N740-Y881 HydrophobicContact CB-CE2 4.39Å; N740-Y881 WeakPolarHBondContact OD1-CD2 3.47Å; N740-T883 WeakPolarHBondContact O-CA 3.46Å; N740-Y884 PolarHBondContact O-N 2.91Å
741	D	89.9	Confident	92.2	Very high	43 Å²	43	30.9 Å²	30.9	23%	0.23	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	7.1	-172.7	-57.7	-48.5	0	0	0	113.5	L739 L744 Y884 R1107	L739-D741 PolarHBondContact O-N 2.73Å; D741-L744 CarbonylContact O-C 3.57Å; D741-L744 WeakPolarHBondContact O-CA 3.36Å; D741-L744 WeakPolarHBondContact O-CB 3.33Å; D741-L744 PolarHBondContact O-N 3.34Å; D741-Y884 HydrophobicContact CB-CD2 3.97Å; D741-Y884 HydrophobicContact CB-CE2 3.77Å; D741-Y884 WeakPolarHBondContact O-CD2 3.15Å; D741-Y884 WeakPolarHBondContact OD1-CE2 3.36Å; D741-Y884 VanDerWaalsContact OD1-CZ 3.28Å; D741-Y884 PolarHBondContact OD1-OH 3.19Å; D741-R1107 VanDerWaalsContact CG-CZ 3.41Å; D741-R1107 IonicContact OD1-CZ 3.77Å; D741-R1107 IonicContact OD1-NH2 3.74Å; D741-R1107 PolarHBondContact OD1-NH2 3.48Å; D741-R1107 IonicContact OD2-CZ 2.89Å; D741-R1107 IonicContact OD2-NH1 3.83Å; D741-R1107 PolarHBondContact OD2-NH1 2.84Å; D741-R1107 IonicContact OD2-NH2 3.92Å; D741-R1107 PolarHBondContact OD2-NH2 3.35Å
742	F	90.3	Very high	92.3	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.013	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	129.6	-179.8	-176.7	-79.2	0	0	0	110.7	L739 R820 F825 L876 T883 M885	L739-F742 HydrophobicContact CB-CB 4.46Å; L739-F742 HydrophobicContact CD2-CD2 4.04Å; L739-F742 VanDerWaalsContact O-CB 3.26Å; L739-F742 WeakPolarHBondContact O-CB 3.19Å; L739-F742 PolarHBondContact O-N 3.32Å; F742-R820 VanDerWaalsContact CE2-CZ 3.44Å; F742-F825 AromaticContact CE1-CD1 4Å; F742-F825 HydrophobicContact CE1-CD1 4Å; F742-F825 AromaticContact CE1-CE1 3.53Å; F742-F825 HydrophobicContact CE1-CE1 3.53Å; F742-F825 AromaticContact CE1-CZ 3.93Å; F742-F825 HydrophobicContact CE1-CZ 3.93Å; F742-F825 HydrophobicContact CE2-CZ 4.26Å; F742-F825 HydrophobicContact CZ-CD1 4.31Å; F742-F825 AromaticContact CZ-CE1 3.44Å; F742-F825 HydrophobicContact CZ-CE1 3.44Å; F742-F825 VanDerWaalsContact CZ-CE1 3.44Å; F742-F825 HydrophobicContact CZ-CE2 4.24Å; F742-F825 AromaticContact CZ-CZ 3.4Å; F742-F825 HydrophobicContact CZ-CZ 3.4Å; F742-F825 VanDerWaalsContact CZ-CZ 3.4Å; F742-L876 HydrophobicContact CD1-CD1 4.38Å; F742-L876 HydrophobicContact CD1-CD2 4Å; F742-L876 HydrophobicContact CD2-CD2 3.72Å; F742-L876 HydrophobicContact CE1-CD2 4.02Å; F742-L876 HydrophobicContact CE1-CG 4.4Å; F742-L876 HydrophobicContact CE2-CD2 3.71Å; F742-L876 HydrophobicContact CG-CD2 3.83Å; F742-L876 HydrophobicContact CZ-CD2 3.85Å; F742-L876 HydrophobicContact CZ-CG 4.47Å; F742-T883 HydrophobicContact CB-CG2 4.24Å; F742-M885 HydrophobicContact CD1-CB 4.39Å; F742-M885 HydrophobicContact CD1-CE 3.53Å; F742-M885 HydrophobicContact CD1-SD 4.17Å; F742-M885 HydrophobicContact CE1-CE 3.33Å; F742-M885 HydrophobicContact CE1-SD 3.8Å; F742-M885 HydrophobicContact CZ-CE 4.46Å; F742-M885 PolarHBondContact O-N 3.45Å
743	P	89.7	Confident	92.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.6	22.1	14.6	40	-36.2	0	0	0	114.9	P822 F825 F830	P743-P822 HydrophobicContact CG-CB 4.44Å; P743-F825 HydrophobicContact CB-CB 3.92Å; P743-F825 HydrophobicContact CB-CD1 4.11Å; P743-F825 HydrophobicContact CB-CD2 3.45Å; P743-F825 VanDerWaalsContact CB-CD2 3.45Å; P743-F825 HydrophobicContact CB-CE2 3.99Å; P743-F825 HydrophobicContact CB-CG 3.53Å; P743-F825 HydrophobicContact CG-CB 3.66Å; P743-F825 HydrophobicContact CG-CD2 4.18Å; P743-F825 HydrophobicContact CG-CG 3.87Å; P743-F830 HydrophobicContact CG-CE2 3.88Å; P743-F830 HydrophobicContact CG-CZ 4.36Å
744	L	89.3	Confident	92.2	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.073	16%	0.157	C	C	.	.	S	Bend	trans	-102.7	25.8	176.6	-63.8	174.7	0	0	0	112.1	D741 P822 L1100 A1104 R1107	D741-L744 CarbonylContact O-C 3.57Å; D741-L744 WeakPolarHBondContact O-CA 3.36Å; D741-L744 WeakPolarHBondContact O-CB 3.33Å; D741-L744 PolarHBondContact O-N 3.34Å; L744-P822 HydrophobicContact CD2-CB 3.75Å; L744-P822 HydrophobicContact CD2-CG 3.66Å; L744-L1100 HydrophobicContact CD1-CD2 3.85Å; L744-A1104 HydrophobicContact CD1-CB 3.95Å; L744-A1104 HydrophobicContact CD2-CB 3.87Å; L744-R1107 PolarHBondContact O-NH1 2.8Å
745	D	92.2	Very high	92	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.133	C	C	.	.			trans	-75.1	148.5	-177.7	58.5	-56.6	0	0	0	112.7	Q747 R820	D745-Q747 PolarHBondContact OD2-NE2 2.87Å; D745-R820 PolarHBondContact O-N 3.12Å; D745-R820 IonicContact OD1-CZ 3.72Å; D745-R820 IonicContact OD1-NE 2.74Å; D745-R820 PolarHBondContact OD1-NE 2.6Å; D745-R820 IonicContact OD1-NH2 3.45Å; D745-R820 IonicContact OD2-CZ 3.8Å; D745-R820 IonicContact OD2-NE 2.68Å; D745-R820 PolarHBondContact OD2-NE 3.1Å; D745-R820 IonicContact OD2-NH2 3.28Å; D745-R820 PolarHBondContact OD2-NH2 2.85Å
746	V	92.6	Very high	91.7	Very high	30 Å²	30	28.8 Å²	28.8	18%	0.182	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	117.5	170.6	-174.8	0	0	0	0	106.8	R817 A818 A819 M1111	V746-R817 HydrophobicContact CG1-CB 4.19Å; V746-A818 CarbonylContact C-O 3.59Å; V746-A818 WeakPolarHBondContact CA-O 3.47Å; V746-A819 HydrophobicContact CB-CB 4.48Å; V746-A819 HydrophobicContact CG1-CB 4.2Å; V746-A819 HydrophobicContact CG2-CB 3.8Å; V746-M1111 HydrophobicContact CB-CE 4.05Å; V746-M1111 HydrophobicContact CG1-CE 3.76Å; V746-M1111 HydrophobicContact CG1-SD 4.27Å; V746-M1111 HydrophobicContact CG2-CE 4.16Å
747	Q	94.3	Very high	91.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.019	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.8	-175	-57.2	-57	-20.9	0	0	110.8	L737 E738 D745 W785 R817 A818	L737-Q747 HydrophobicContact CD2-CB 4.09Å; L737-Q747 HydrophobicContact CD2-CG 4.02Å; E738-Q747 PolarHBondContact O-NE2 2.85Å; D745-Q747 PolarHBondContact OD2-NE2 2.87Å; Q747-W785 HydrophobicContact CB-CH2 4.43Å; Q747-W785 HydrophobicContact CB-CZ3 4.29Å; Q747-W785 HydrophobicContact CG-CH2 3.6Å; Q747-W785 HydrophobicContact CG-CZ3 3.75Å; Q747-R817 WeakPolarHBondContact O-CA 3.32Å; Q747-A818 PolarHBondContact N-O 2.94Å; Q747-A818 PolarHBondContact O-N 3.12Å
748	D	93.4	Very high	91.2	Very high	40 Å²	40	25.9 Å²	25.9	21%	0.214	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	103.6	175.2	-74.6	3.2	0	0	0	108.4	E735 R817	E735-D748 VanDerWaalsContact CG-O 3.23Å; E735-D748 WeakPolarHBondContact CG-O 3.38Å; D748-R817 VanDerWaalsContact OD1-CD 3.27Å; D748-R817 WeakPolarHBondContact OD1-CD 3.36Å; D748-R817 VanDerWaalsContact OD1-CG 3.29Å; D748-R817 WeakPolarHBondContact OD1-CG 3.45Å; D748-R817 IonicContact OD1-CZ 2.74Å; D748-R817 IonicContact OD1-NE 3.41Å; D748-R817 PolarHBondContact OD1-NE 3.11Å; D748-R817 IonicContact OD1-NH1 3.82Å; D748-R817 PolarHBondContact OD1-NH1 2.94Å; D748-R817 IonicContact OD1-NH2 3.42Å; D748-R817 IonicContact OD2-CZ 2.67Å; D748-R817 IonicContact OD2-NE 2.72Å; D748-R817 IonicContact OD2-NH1 3.83Å; D748-R817 PolarHBondContact OD2-NH1 3.21Å; D748-R817 IonicContact OD2-NH2 2.81Å; D748-R817 PolarHBondContact OD2-NH2 3.19Å
749	L	94.2	Very high	90.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.4	177.3	-50.8	174.8	0	0	0	108.7	I650 I653 Y660 T815 C816 A818	I650-L749 HydrophobicContact CG2-CD1 4.11Å; I653-L749 HydrophobicContact CD1-CD1 3.82Å; I653-L749 HydrophobicContact CG1-CD1 4.3Å; I653-L749 HydrophobicContact CG2-CD2 4.5Å; Y660-L749 HydrophobicContact CD1-CB 4.35Å; Y660-L749 HydrophobicContact CD1-CD2 3.92Å; Y660-L749 HydrophobicContact CD2-CD1 4.41Å; Y660-L749 HydrophobicContact CE1-CB 4.02Å; Y660-L749 HydrophobicContact CE1-CD2 4.4Å; Y660-L749 HydrophobicContact CE2-CB 4.2Å; Y660-L749 HydrophobicContact CG-CD2 4.07Å; L749-T815 WeakPolarHBondContact O-CA 3.16Å; L749-C816 PolarHBondContact N-O 3.4Å; L749-C816 PolarHBondContact O-N 2.98Å; L749-C816 PolarHBondContact O-SG 2.83Å; L749-A818 HydrophobicContact CD1-CB 4.17Å
750	T	94.4	Very high	90.5	Very high	20 Å²	20	25.6 Å²	25.6	12%	0.123	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.4	-170.7	82.5	0	0	0	0	112.5	Y660 N700 E735 V814 T815	Y660-T750 VanDerWaalsContact OH-C 3.22Å; Y660-T750 PolarHBondContact OH-O 3.34Å; N700-T750 PolarHBondContact ND2-O 2.86Å; E735-T750 WeakPolarHBondContact OE2-CA 3.22Å; E735-T750 WeakPolarHBondContact OE2-CB 3.48Å; E735-T750 VanDerWaalsContact OE2-CG2 3.3Å; E735-T750 WeakPolarHBondContact OE2-CG2 3.46Å; E735-T750 PolarHBondContact OE2-N 3.32Å; E735-T750 PolarHBondContact OE2-OG1 3.33Å; T750-V814 CarbonylContact C-O 3.53Å; T750-V814 WeakPolarHBondContact CA-O 3.39Å; T750-T815 HydrophobicContact CG2-CG2 3.32Å
751	I	94.2	Very high	90.3	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.6	163.6	-63	-179.9	0	0	0	106.4	V645 F647 Y660 A664 I698 F733 V753 V814	V645-I751 HydrophobicContact CG1-CD1 4.2Å; F647-I751 HydrophobicContact CD1-CD1 4.01Å; F647-I751 HydrophobicContact CE1-CD1 3.44Å; F647-I751 VanDerWaalsContact CE1-CD1 3.44Å; F647-I751 HydrophobicContact CE1-CG1 3.77Å; F647-I751 HydrophobicContact CZ-CD1 3.95Å; F647-I751 HydrophobicContact CZ-CG1 4.03Å; Y660-I751 WeakPolarHBondContact OH-CG1 3.44Å; A664-I751 HydrophobicContact CB-CD1 3.54Å; I698-I751 HydrophobicContact CD1-CG2 4.39Å; I698-I751 HydrophobicContact CG2-CG2 4.33Å; F733-I751 HydrophobicContact CD1-CG1 4.16Å; F733-I751 HydrophobicContact CE1-CD1 4.1Å; F733-I751 HydrophobicContact CE1-CG1 3.9Å; F733-I751 HydrophobicContact CE1-CG2 4.17Å; F733-I751 HydrophobicContact CZ-CD1 4.06Å; F733-I751 HydrophobicContact CZ-CG1 4.33Å; I751-V753 HydrophobicContact CG2-CG2 4.34Å; I751-V814 PolarHBondContact N-O 2.87Å; I751-V814 PolarHBondContact O-N 2.76Å
752	T	93.5	Very high	90.2	Very high	12 Å²	12	23 Å²	23	7%	0.074	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.1	-177.1	-69.4	0	0	0	0	110.5	I698 D699 N700 C811 S813	I698-T752 WeakPolarHBondContact CA-O 3.13Å; D699-T752 HydrophobicContact CB-CG2 3.94Å; D699-T752 PolarHBondContact N-O 3.41Å; N700-T752 PolarHBondContact OD1-N 2.68Å; T752-C811 WeakPolarHBondContact CG2-SG 3.48Å; T752-S813 PolarHBondContact OG1-OG 3.14Å
753	V	93.4	Very high	90.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.3	-179.4	-174.2	0	0	0	0	109.6	V643 V645 L666 L696 I751 C811 L812	V643-V753 HydrophobicContact CG1-CG1 4.46Å; V645-V753 HydrophobicContact CG2-CG2 4.14Å; L666-V753 HydrophobicContact CD1-CG1 4.31Å; L666-V753 HydrophobicContact CD1-CG2 3.94Å; L666-V753 HydrophobicContact CD2-CG1 4.48Å; L696-V753 HydrophobicContact CD2-CG1 3.84Å; I751-V753 HydrophobicContact CG2-CG2 4.34Å; V753-C811 CarbonylContact O-C 3.57Å; V753-C811 WeakPolarHBondContact O-CA 3.42Å; V753-L812 PolarHBondContact N-O 3.18Å; V753-L812 PolarHBondContact O-N 3.13Å
754	T	92.1	Very high	90.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	160.7	-174.6	-55.6	0	0	0	0	109.9	L696 Y697 H809	L696-T754 WeakPolarHBondContact CA-O 3.39Å; Y697-T754 HydrophobicContact CE1-CG2 4Å; Y697-T754 HydrophobicContact CE2-CG2 4.31Å; Y697-T754 PolarHBondContact N-O 3.34Å; Y697-T754 PolarHBondContact O-N 3.35Å; Y697-T754 VanDerWaalsContact O-O 3.13Å; Y697-T754 WeakPolarHBondContact OH-CG2 3.44Å; T754-H809 HydrophobicContact CG2-CB 4.02Å
755	T	90.6	Very high	90.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.2	175.1	52.8	0	0	0	0	112.5	P694 L695 L696 R757 V762 I764 H809 P810	P694-T755 WeakPolarHBondContact O-CG2 3.45Å; L695-T755 WeakPolarHBondContact O-CA 3.09Å; L696-T755 HydrophobicContact CD2-CG2 3.46Å; L696-T755 VanDerWaalsContact CD2-CG2 3.46Å; L696-T755 HydrophobicContact CG-CG2 4.24Å; T755-R757 PolarHBondContact O-N 3.1Å; T755-R757 PolarHBondContact OG1-O 2.84Å; T755-V762 HydrophobicContact CG2-CG1 4.11Å; T755-I764 HydrophobicContact CG2-CD1 3.97Å; T755-I764 HydrophobicContact CG2-CG1 4.18Å; T755-H809 PolarHBondContact O-ND1 3.19Å; T755-P810 WeakPolarHBondContact OG1-CD 3.2Å; T755-P810 VanDerWaalsContact OG1-CG 3.31Å; T755-P810 WeakPolarHBondContact OG1-CG 3.03Å
756	E	86.1	Confident	90.1	Very high	106 Å²	106	28.1 Å²	28.1	50%	0.495	15%	0.152	S	C	.	.	S	Bend	trans	-64.7	-18.8	167.6	-62.6	-167	149.5	0	0	112.3	L695 Y697 H809	L695-E756 HydrophobicContact CB-CB 3.96Å; L695-E756 HydrophobicContact CB-CG 4.21Å; L695-E756 HydrophobicContact CD1-CB 4.37Å; L695-E756 PolarHBondContact O-N 2.86Å; Y697-E756 HydrophobicContact CD1-CG 3.8Å; Y697-E756 HydrophobicContact CE1-CG 3.99Å; E756-H809 PolarHBondContact O-CE1 2.84Å
757	R	86.5	Confident	89.7	Confident	35 Å²	35	27.2 Å²	27.2	13%	0.132	15%	0.146	C	C	.	.	S	Bend	trans	-81.2	147.5	176.6	-63	-108.8	179.8	64.9	13.3	112	N693 T755 E761 V762 H809	N693-R757 PolarHBondContact O-NH1 3.15Å; N693-R757 PolarHBondContact O-NH2 2.83Å; T755-R757 PolarHBondContact O-N 3.1Å; T755-R757 PolarHBondContact OG1-O 2.84Å; R757-E761 WeakPolarHBondContact CD-OE1 3.36Å; R757-E761 WeakPolarHBondContact CD-OE2 3.45Å; R757-E761 IonicContact CZ-OE1 3.73Å; R757-E761 IonicContact NE-OE1 2.8Å; R757-E761 PolarHBondContact NE-OE1 2.83Å; R757-E761 IonicContact NE-OE2 2.99Å; R757-E761 IonicContact NH1-OE1 2.86Å; R757-V762 HydrophobicContact CB-CB 4.45Å; R757-V762 HydrophobicContact CB-CG2 3.58Å; R757-V762 HydrophobicContact CG-CG2 4.19Å; R757-H809 PolarHBondContact O-ND1 2.82Å
758	P	85.8	Confident	88.9	Confident	17 Å²	17	34.2 Å²	34.2	11%	0.11	18%	0.178	C	C	.	.			trans	-73.5	159.9	178.5	31.3	-35.3	0	0	0	113	T760 E761 V762 K807 S808	P758-T760 PolarHBondContact O-N 3.3Å; P758-T760 VanDerWaalsContact O-N 3.12Å; P758-E761 HydrophobicContact CG-CB 4.37Å; P758-E761 PolarHBondContact O-N 2.76Å; P758-V762 PolarHBondContact O-N 2.93Å; P758-V762 VanDerWaalsContact O-N 3.15Å; P758-K807 HydrophobicContact CB-CB 4.36Å; P758-K807 HydrophobicContact CB-CD 4.09Å; P758-K807 HydrophobicContact CB-CG 4.19Å; P758-K807 HydrophobicContact CG-CD 4.42Å; P758-S808 WeakPolarHBondContact CA-O 3.49Å
759	D	83.9	Confident	87.9	Confident	35 Å²	35	36.6 Å²	36.6	19%	0.187	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.3	176.5	68.7	-18.1	0	0	0	115.4	K638 S808	K638-D759 WeakPolarHBondContact CE-O 3.32Å; K638-D759 PolarHBondContact NZ-O 2.88Å; D759-S808 PolarHBondContact N-O 3.04Å; D759-S808 PolarHBondContact OD1-OG 2.69Å; D759-S808 VanDerWaalsContact OD1-OG 3.12Å; D759-S808 WeakPolarHBondContact OD2-CB 3.41Å; D759-S808 PolarHBondContact OD2-OG 3.12Å
760	T	83.1	Confident	87.2	Confident	106 Å²	106	40 Å²	40	65%	0.65	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.6	169.9	57.7	0	0	0	0	112.6	P758	P758-T760 PolarHBondContact O-N 3.3Å; P758-T760 VanDerWaalsContact O-N 3.12Å
761	E	85.8	Confident	86.5	Confident	56 Å²	56	40.9 Å²	40.9	26%	0.262	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-33.9	-176.7	-169.3	-175.8	157.2	0	0	112	V639 W692 R757 P758	V639-E761 PolarHBondContact N-O 2.87Å; W692-E761 HydrophobicContact CZ2-CG 4.39Å; W692-E761 PolarHBondContact NE1-OE1 2.87Å; R757-E761 WeakPolarHBondContact CD-OE1 3.36Å; R757-E761 WeakPolarHBondContact CD-OE2 3.45Å; R757-E761 IonicContact CZ-OE1 3.73Å; R757-E761 IonicContact NE-OE1 2.8Å; R757-E761 PolarHBondContact NE-OE1 2.83Å; R757-E761 IonicContact NE-OE2 2.99Å; R757-E761 IonicContact NH1-OE1 2.86Å; P758-E761 HydrophobicContact CG-CB 4.37Å; P758-E761 PolarHBondContact O-N 2.76Å
762	V	88.1	Confident	86.1	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.4	-172.3	-173.6	0	0	0	0	111.9	K638 V639 V641 W692 T755 R757 P758 P810	K638-V762 WeakPolarHBondContact CE-O 3.46Å; V639-V762 WeakPolarHBondContact O-CA 3.47Å; V641-V762 HydrophobicContact CB-CG1 4.44Å; V641-V762 HydrophobicContact CG2-CG1 3.62Å; W692-V762 HydrophobicContact CH2-CG2 3.65Å; W692-V762 HydrophobicContact CZ2-CG2 3.63Å; T755-V762 HydrophobicContact CG2-CG1 4.11Å; R757-V762 HydrophobicContact CB-CB 4.45Å; R757-V762 HydrophobicContact CB-CG2 3.58Å; R757-V762 HydrophobicContact CG-CG2 4.19Å; P758-V762 PolarHBondContact O-N 2.93Å; P758-V762 VanDerWaalsContact O-N 3.15Å; V762-P810 HydrophobicContact CB-CG 4.48Å
763	D	90.2	Very high	85.8	Confident	37 Å²	37	41.9 Å²	41.9	20%	0.198	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118	165.1	-145.5	37.4	0	0	0	110.3	K638 V639 V641 I765 K795	K638-D763 HydrophobicContact CD-CB 3.99Å; K638-D763 WeakPolarHBondContact CE-OD1 3.48Å; K638-D763 HydrophobicContact CG-CB 4.27Å; K638-D763 IonicContact NZ-OD1 3.76Å; K638-D763 PolarHBondContact NZ-OD1 2.9Å; V639-D763 PolarHBondContact O-N 2.73Å; V641-D763 PolarHBondContact N-O 2.9Å; D763-I765 HydrophobicContact CB-CD1 4.47Å; D763-I765 HydrophobicContact CB-CG1 4.3Å; D763-K795 IonicContact OD1-NZ 3.93Å; D763-K795 PolarHBondContact OD1-NZ 2.82Å; D763-K795 IonicContact OD2-NZ 2.87Å; D763-K795 PolarHBondContact OD2-NZ 3.05Å
764	I	90	Very high	85.5	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.6	168.3	-50.8	175	0	0	0	108.3	V643 L696 T755 K795 P810 L812	V643-I764 HydrophobicContact CB-CG2 4.02Å; V643-I764 HydrophobicContact CG2-CG2 3.69Å; L696-I764 HydrophobicContact CD2-CD1 4.3Å; T755-I764 HydrophobicContact CG2-CD1 3.97Å; T755-I764 HydrophobicContact CG2-CG1 4.18Å; I764-K795 WeakPolarHBondContact O-CD 3.13Å; I764-K795 WeakPolarHBondContact O-CE 3.41Å; I764-K795 PolarHBondContact O-NZ 3.41Å; I764-P810 HydrophobicContact CB-CB 4.41Å; I764-P810 HydrophobicContact CD1-CB 4.17Å; I764-P810 HydrophobicContact CD1-CG 4.11Å; I764-P810 VanDerWaalsContact CD1-O 3.25Å; I764-P810 WeakPolarHBondContact CD1-O 3.28Å; I764-P810 HydrophobicContact CG1-CB 3.95Å; I764-P810 HydrophobicContact CG1-CG 3.91Å; I764-L812 HydrophobicContact CG2-CB 3.67Å; I764-L812 HydrophobicContact CG2-CD2 4Å; I764-L812 HydrophobicContact CG2-CG 4.31Å
765	I	90.4	Very high	85.2	Confident	46 Å²	46	46 Å²	46	24%	0.236	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.5	-179	-54.5	-176.1	0	0	0	107.6	A640 V641 E642 V643 D763	A640-I765 HydrophobicContact CB-CD1 3.9Å; V641-I765 PolarHBondContact O-N 2.9Å; E642-I765 CarbonylContact C-O 3.58Å; E642-I765 VanDerWaalsContact CA-O 3.32Å; E642-I765 WeakPolarHBondContact CA-O 3.44Å; V643-I765 PolarHBondContact N-O 2.84Å; D763-I765 HydrophobicContact CB-CD1 4.47Å; D763-I765 HydrophobicContact CB-CG1 4.3Å
766	P	88.8	Confident	84.7	Confident	43 Å²	43	49 Å²	49	28%	0.279	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136	171.5	26.8	-34.3	0	0	0	111.1	Q768 I793	P766-Q768 PolarHBondContact O-N 2.91Å; P766-I793 HydrophobicContact CB-CD1 4.11Å; P766-I793 HydrophobicContact CB-CG2 4.2Å
767	D	85.3	Confident	84.5	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.059	27%	0.271	C	S	.	.			trans	-61.2	121.2	173.5	-171.7	-22.8	0	0	0	110.5	E642 V643 R644 V769 E770	E642-D767 HydrophobicContact CB-CB 4.34Å; V643-D767 PolarHBondContact O-N 3.21Å; R644-D767 HydrophobicContact CB-CB 4.11Å; D767-V769 WeakPolarHBondContact OD1-CA 3.42Å; D767-V769 PolarHBondContact OD1-N 2.8Å; D767-E770 PolarHBondContact OD1-N 2.94Å
768	Q	76.8	Confident	84.3	Confident	151 Å²	151	52.3 Å²	52.3	71%	0.706	28%	0.28	S	S	*	.	S	Bend	trans	-87.5	-18.8	-177.9	-58	-174.3	20.9	0	0	112.7	P766	P766-Q768 PolarHBondContact O-N 2.91Å
769	V	73.7	Confident	84.2	Confident	90 Å²	90	51.9 Å²	51.9	55%	0.545	28%	0.277	S	S	.	.	S	Bend	trans	-90.8	-53.8	178.6	-177.1	0	0	0	0	109.3	D767 Q1129	D767-V769 WeakPolarHBondContact OD1-CA 3.42Å; D767-V769 PolarHBondContact OD1-N 2.8Å; V769-Q1129 PolarHBondContact O-NE2 3.46Å
770	E	78.4	Confident	84.2	Confident	71 Å²	71	53.7 Å²	53.7	33%	0.332	29%	0.289	S	S	.	.	S	Bend	trans	-105.8	84.5	177.3	-61.2	-161.8	160.3	0	0	110.9	R644 Q667 D767	R644-E770 WeakPolarHBondContact CD-O 3.44Å; R644-E770 WeakPolarHBondContact CG-O 3.16Å; R644-E770 IonicContact CZ-OE2 3.3Å; R644-E770 PolarHBondContact NE-O 3.12Å; R644-E770 IonicContact NH1-OE2 2.76Å; R644-E770 PolarHBondContact NH1-OE2 3.34Å; Q667-E770 PolarHBondContact NE2-OE2 3.38Å; D767-E770 PolarHBondContact OD1-N 2.94Å
771	M	80.4	Confident	84.2	Confident	38 Å²	38	50.1 Å²	50.1	19%	0.187	27%	0.266	C	S	.	.			trans	-58.7	149.4	179.9	-65.6	172.6	-75.9	0	0	113.2	R644 F1121 L1122 N1125	R644-M771 PolarHBondContact NE-O 2.96Å; M771-F1121 HydrophobicContact SD-CD1 4.27Å; M771-F1121 HydrophobicContact SD-CE1 3.5Å; M771-F1121 WeakPolarHBondContact SD-CE1 3.48Å; M771-F1121 HydrophobicContact SD-CZ 4.02Å; M771-L1122 HydrophobicContact CE-CD2 3.48Å; M771-L1122 VanDerWaalsContact CE-CD2 3.48Å; M771-L1122 HydrophobicContact SD-CD2 3.84Å; M771-N1125 HydrophobicContact CE-CB 3.75Å; M771-N1125 HydrophobicContact SD-CB 4.27Å; M771-N1125 PolarHBondContact SD-ND2 3.48Å
772	S	86.1	Confident	84.2	Confident	5 Å²	5	51.8 Å²	51.8	4%	0.035	27%	0.274	C	S	.	.			trans	-58	142.3	165.1	-62.6	0	0	0	0	111.1	V645 Y1118	V645-S772 PolarHBondContact N-OG 3.26Å; V645-S772 CarbonylContact O-C 3.58Å; V645-S772 WeakPolarHBondContact O-CA 3.38Å; V645-S772 WeakPolarHBondContact O-CB 3.41Å; V645-S772 PolarHBondContact O-OG 3.03Å; S772-Y1118 PolarHBondContact O-OH 3.26Å
773	A	86.6	Confident	84.1	Confident	31 Å²	31	59.5 Å²	59.5	26%	0.256	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	166.1	-171.1	0	0	0	0	0	112.4	V645 V646 F647	V645-A773 PolarHBondContact O-N 2.92Å; V645-A773 VanDerWaalsContact O-N 3.16Å; V646-A773 CarbonylContact C-O 3.59Å; V646-A773 VanDerWaalsContact CA-O 3.28Å; V646-A773 WeakPolarHBondContact CA-O 3.18Å; V646-A773 HydrophobicContact CG1-CB 4.35Å; V646-A773 HydrophobicContact CG2-CB 4.44Å; F647-A773 PolarHBondContact N-O 2.8Å
774	I	87.6	Confident	84	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.118	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.5	176.5	-62.5	153.7	0	0	0	108.7	F647 I776 L787 V791 C816	F647-I774 HydrophobicContact CB-CB 4.48Å; F647-I774 HydrophobicContact CB-CG1 4.25Å; F647-I774 HydrophobicContact CB-CG2 4.35Å; F647-I774 HydrophobicContact CD2-CG1 3.71Å; F647-I774 HydrophobicContact CE2-CG1 4.45Å; F647-I774 HydrophobicContact CG-CG1 4.27Å; I774-I776 HydrophobicContact CG2-CG1 4.23Å; I774-I776 PolarHBondContact O-N 2.86Å; I774-L787 HydrophobicContact CG2-CD2 3.67Å; I774-L787 HydrophobicContact CG2-CG 4.28Å; I774-V791 HydrophobicContact CD1-CG2 3.48Å; I774-V791 VanDerWaalsContact CD1-CG2 3.48Å; I774-V791 HydrophobicContact CG1-CG2 3.62Å; I774-C816 HydrophobicContact CD1-CB 3.4Å; I774-C816 HydrophobicContact CG1-CB 4Å
775	N	85.1	Confident	84.1	Confident	64 Å²	64	61.3 Å²	61.3	34%	0.342	32%	0.317	S	S	.	.			trans	-84.3	106	163.6	-170.8	-7.8	0	0	0	109.6	F647 Q777 T778	F647-N775 PolarHBondContact O-N 2.62Å; N775-Q777 PolarHBondContact OD1-N 2.91Å; N775-Q777 VanDerWaalsContact OD1-N 3.14Å; N775-T778 WeakPolarHBondContact ND2-CG2 3.08Å; N775-T778 PolarHBondContact O-OG1 2.82Å; N775-T778 VanDerWaalsContact O-OG1 3.12Å
776	I	80.9	Confident	84.1	Confident	65 Å²	65	64 Å²	64	33%	0.333	33%	0.327	S	S	.	.	S	Bend	trans	-74.9	-29.5	-177.9	-53.9	171.2	0	0	0	111.3	I774 T778 F779 E789	I774-I776 HydrophobicContact CG2-CG1 4.23Å; I774-I776 PolarHBondContact O-N 2.86Å; I776-T778 VanDerWaalsContact C-N 3.28Å; I776-T778 PolarHBondContact O-N 2.86Å; I776-F779 WeakPolarHBondContact O-CB 3.45Å; I776-F779 PolarHBondContact O-N 3.38Å; I776-E789 HydrophobicContact CD1-CB 3.7Å; I776-E789 HydrophobicContact CD1-CG 3.9Å
777	Q	80.9	Confident	84.2	Confident	156 Å²	156	62.6 Å²	62.6	73%	0.729	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.4	-172.2	-62.2	-178.7	-5.2	0	0	113.1	N775	N775-Q777 PolarHBondContact OD1-N 2.91Å; N775-Q777 VanDerWaalsContact OD1-N 3.14Å
778	T	81.6	Confident	84.3	Confident	53 Å²	53	62.5 Å²	62.5	33%	0.325	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	0.3	-177.7	48.5	0	0	0	0	113.7	L648 N775 I776 V780	L648-T778 WeakPolarHBondContact O-CB 3.14Å; L648-T778 PolarHBondContact O-OG1 2.94Å; N775-T778 WeakPolarHBondContact ND2-CG2 3.08Å; N775-T778 PolarHBondContact O-OG1 2.82Å; N775-T778 VanDerWaalsContact O-OG1 3.12Å; I776-T778 VanDerWaalsContact C-N 3.28Å; I776-T778 PolarHBondContact O-N 2.86Å; T778-V780 PolarHBondContact O-N 2.99Å
779	F	85.1	Confident	84.7	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.035	29%	0.292	C	S	.	.			trans	-62.5	126	179	-176.8	-136.7	0	0	0	110.7	I650 I653 I776 D781 Q782 W785 L787	I650-F779 HydrophobicContact CB-CD2 3.79Å; I650-F779 HydrophobicContact CB-CE2 4.09Å; I650-F779 HydrophobicContact CG2-CD2 4.08Å; I650-F779 HydrophobicContact CG2-CE2 3.83Å; I650-F779 WeakPolarHBondContact O-CD2 3.37Å; I653-F779 HydrophobicContact CD1-CZ 4.43Å; I776-F779 WeakPolarHBondContact O-CB 3.45Å; I776-F779 PolarHBondContact O-N 3.38Å; F779-D781 VanDerWaalsContact CE1-C 3.44Å; F779-D781 HydrophobicContact CE1-CB 4.44Å; F779-D781 VanDerWaalsContact CE1-O 3.23Å; F779-D781 WeakPolarHBondContact CE1-O 3.12Å; F779-D781 HydrophobicContact CE2-CB 4.04Å; F779-D781 HydrophobicContact CZ-CB 3.79Å; F779-Q782 HydrophobicContact CB-CG 4.17Å; F779-Q782 HydrophobicContact CD1-CB 4.47Å; F779-Q782 HydrophobicContact CD1-CG 3.63Å; F779-Q782 HydrophobicContact CE1-CG 4.45Å; F779-Q782 HydrophobicContact CG-CG 4.24Å; F779-Q782 WeakPolarHBondContact O-CG 3.48Å; F779-Q782 PolarHBondContact O-NE2 2.88Å; F779-W785 HydrophobicContact CE1-CB 3.76Å; F779-W785 HydrophobicContact CZ-CB 3.68Å; F779-W785 HydrophobicContact CZ-CG 4.39Å; F779-L787 HydrophobicContact CB-CD2 4.03Å; F779-L787 HydrophobicContact CD1-CB 3.85Å; F779-L787 HydrophobicContact CD1-CD2 4.46Å; F779-L787 HydrophobicContact CD2-CD2 4.31Å; F779-L787 HydrophobicContact CE1-CB 4.12Å; F779-L787 HydrophobicContact CG-CB 4.24Å; F779-L787 HydrophobicContact CG-CD2 4.03Å
780	V	82.6	Confident	85.3	Confident	74 Å²	74	53.3 Å²	53.3	45%	0.448	27%	0.268	S	S	.	.	S	Bend	trans	-76.6	-47.8	-177.1	-179.1	0	0	0	0	111	K649 I650 T778 Q782	K649-V780 HydrophobicContact CD-CG2 4.35Å; K649-V780 HydrophobicContact CG-CG2 4.35Å; I650-V780 PolarHBondContact O-N 3.49Å; I650-V780 VanDerWaalsContact O-N 3.11Å; T778-V780 PolarHBondContact O-N 2.99Å; V780-Q782 PolarHBondContact O-N 3.22Å
781	D	83.6	Confident	85.7	Confident	30 Å²	30	50.7 Å²	50.7	16%	0.16	26%	0.256	C	S	.	.			trans	-88.9	44.8	-167.1	-158.7	-6.1	0	0	0	113.2	F779 Q783 E784 W785	F779-D781 VanDerWaalsContact CE1-C 3.44Å; F779-D781 HydrophobicContact CE1-CB 4.44Å; F779-D781 VanDerWaalsContact CE1-O 3.23Å; F779-D781 WeakPolarHBondContact CE1-O 3.12Å; F779-D781 HydrophobicContact CE2-CB 4.04Å; F779-D781 HydrophobicContact CZ-CB 3.79Å; D781-Q783 PolarHBondContact O-N 2.92Å; D781-E784 PolarHBondContact OD1-N 2.82Å; D781-W785 WeakPolarHBondContact O-CB 3.37Å; D781-W785 PolarHBondContact O-N 2.98Å
782	Q	86.8	Confident	86.1	Confident	92 Å²	92	51 Å²	51	43%	0.43	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.7	178	-71.6	178.7	44.2	0	0	113.2	F779 V780 W785 R821	F779-Q782 HydrophobicContact CB-CG 4.17Å; F779-Q782 HydrophobicContact CD1-CB 4.47Å; F779-Q782 HydrophobicContact CD1-CG 3.63Å; F779-Q782 HydrophobicContact CE1-CG 4.45Å; F779-Q782 HydrophobicContact CG-CG 4.24Å; F779-Q782 WeakPolarHBondContact O-CG 3.48Å; F779-Q782 PolarHBondContact O-NE2 2.88Å; V780-Q782 PolarHBondContact O-N 3.22Å; Q782-W785 CarbonylContact C-O 3.49Å; Q782-R821 PolarHBondContact O-NE 3.15Å; Q782-R821 VanDerWaalsContact O-NE 3.12Å; Q782-R821 PolarHBondContact O-NH1 2.84Å; Q782-R821 PolarHBondContact O-NH2 3.36Å
783	Q	86	Confident	86.2	Confident	161 Å²	161	53.8 Å²	53.8	75%	0.752	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-39.1	-177.4	-176.6	61	12.3	0	0	112.2	D781 R821	D781-Q783 PolarHBondContact O-N 2.92Å; Q783-R821 WeakPolarHBondContact O-CD 3.38Å
784	E	87.8	Confident	86.3	Confident	74 Å²	74	55.7 Å²	55.7	35%	0.346	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-33.1	174.1	-176.8	165.3	176.8	0	0	112.4	D781 R820 R821	D781-E784 PolarHBondContact OD1-N 2.82Å; E784-R820 HydrophobicContact CG-CG 4.19Å; E784-R820 IonicContact OE1-CZ 2.8Å; E784-R820 IonicContact OE1-NH1 3.24Å; E784-R820 PolarHBondContact OE1-NH1 3.26Å; E784-R821 VanDerWaalsContact O-CB 3.23Å; E784-R821 WeakPolarHBondContact O-CB 3.1Å; E784-R821 WeakPolarHBondContact O-CG 3.37Å; E784-R821 PolarHBondContact O-N 2.92Å
785	W	91.2	Very high	86.2	Confident	1 Å²	1	59 Å²	59	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	165	-172.3	-61.5	88.3	0	0	0	113.6	I653 T655 Q747 F779 D781 Q782 A818 A819 R820 R821	I653-W785 HydrophobicContact CB-CZ2 4.37Å; I653-W785 HydrophobicContact CD1-CD2 3.97Å; I653-W785 HydrophobicContact CD1-CG 4.06Å; I653-W785 HydrophobicContact CD1-CZ2 4.42Å; I653-W785 HydrophobicContact CG2-CZ2 4Å; T655-W785 HydrophobicContact CG2-CZ2 3.95Å; Q747-W785 HydrophobicContact CB-CH2 4.43Å; Q747-W785 HydrophobicContact CB-CZ3 4.29Å; Q747-W785 HydrophobicContact CG-CH2 3.6Å; Q747-W785 HydrophobicContact CG-CZ3 3.75Å; F779-W785 HydrophobicContact CE1-CB 3.76Å; F779-W785 HydrophobicContact CZ-CB 3.68Å; F779-W785 HydrophobicContact CZ-CG 4.39Å; D781-W785 WeakPolarHBondContact O-CB 3.37Å; D781-W785 PolarHBondContact O-N 2.98Å; Q782-W785 CarbonylContact C-O 3.49Å; W785-A818 HydrophobicContact CE3-CB 3.97Å; W785-A819 CarbonylContact C-O 3.59Å; W785-R820 HydrophobicContact CE3-CB 4.05Å; W785-R820 HydrophobicContact CH2-CB 4.44Å; W785-R820 VanDerWaalsContact CH2-CZ 3.46Å; W785-R820 VanDerWaalsContact CZ2-CZ 3.47Å; W785-R820 HydrophobicContact CZ3-CB 3.94Å; W785-R821 PolarHBondContact O-NE 2.94Å
786	K	90.6	Very high	86.1	Confident	104 Å²	104	62.8 Å²	62.8	45%	0.452	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	105.5	168.5	-177.4	-174.2	173.4	-173.8	0	108.3	A819	K786-A819 PolarHBondContact N-O 2.99Å; K786-A819 PolarHBondContact O-N 2.89Å
787	L	90.8	Very high	86.1	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.063	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.9	172.8	-171	61.2	0	0	0	110.3	I650 I774 F779 A818	I650-L787 HydrophobicContact CD1-CD1 3.87Å; I650-L787 HydrophobicContact CD1-CD2 3.94Å; I774-L787 HydrophobicContact CG2-CD2 3.67Å; I774-L787 HydrophobicContact CG2-CG 4.28Å; F779-L787 HydrophobicContact CB-CD2 4.03Å; F779-L787 HydrophobicContact CD1-CB 3.85Å; F779-L787 HydrophobicContact CD1-CD2 4.46Å; F779-L787 HydrophobicContact CD2-CD2 4.31Å; F779-L787 HydrophobicContact CE1-CB 4.12Å; F779-L787 HydrophobicContact CG-CB 4.24Å; F779-L787 HydrophobicContact CG-CD2 4.03Å; L787-A818 HydrophobicContact CD1-CB 4.48Å
788	H	88.6	Confident	85.9	Confident	9 Å²	9	60 Å²	60	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	157.6	174	-78.2	-84.5	0	0	0	111.6	H790 R817 M1111 D1115	H788-H790 AromaticContact CG-CE1 3.92Å; H788-R817 HydrophobicContact CB-CB 4.41Å; H788-R817 WeakPolarHBondContact CB-O 3.43Å; H788-R817 PolarHBondContact N-O 3.47Å; H788-M1111 VanDerWaalsContact CE1-CB 3.48Å; H788-M1111 WeakPolarHBondContact CE1-CB 3.36Å; H788-D1115 IonicContact CE1-OD2 3.89Å; H788-D1115 IonicContact CG-OD1 3.92Å; H788-D1115 IonicContact CG-OD2 3.15Å; H788-D1115 IonicContact ND1-OD1 3.21Å; H788-D1115 PolarHBondContact ND1-OD1 3.1Å; H788-D1115 IonicContact ND1-OD2 2.74Å; H788-D1115 PolarHBondContact ND1-OD2 3.49Å
789	E	84.6	Confident	85.5	Confident	44 Å²	44	64.7 Å²	64.7	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-26.6	-174.9	-174.5	173.9	149.4	0	0	112.5	I776 V791 D1115 Y1118 R1119	I776-E789 HydrophobicContact CD1-CB 3.7Å; I776-E789 HydrophobicContact CD1-CG 3.9Å; E789-V791 PolarHBondContact O-N 2.89Å; E789-D1115 PolarHBondContact N-OD1 3.4Å; E789-Y1118 HydrophobicContact CG-CD1 4.1Å; E789-Y1118 HydrophobicContact CG-CE1 4.03Å; E789-Y1118 WeakPolarHBondContact O-CE1 3.45Å; E789-R1119 WeakPolarHBondContact OE1-CG 3.31Å; E789-R1119 IonicContact OE1-NE 3.83Å; E789-R1119 IonicContact OE2-CZ 2.72Å; E789-R1119 IonicContact OE2-NE 3.23Å; E789-R1119 PolarHBondContact OE2-NE 3.35Å; E789-R1119 IonicContact OE2-NH2 2.6Å; E789-R1119 PolarHBondContact OE2-NH2 2.92Å
790	H	85.3	Confident	84.7	Confident	5 Å²	5	68.6 Å²	68.6	2%	0.023	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.2	-175.4	63.5	-89.2	0	0	0	112.7	H788 R817 D1115 Y1118	H788-H790 AromaticContact CG-CE1 3.92Å; H790-R817 WeakPolarHBondContact NE2-CD 3.45Å; H790-R817 WeakPolarHBondContact NE2-CG 3.4Å; H790-D1115 IonicContact CE1-OD1 3.81Å; H790-D1115 IonicContact CG-OD1 3.71Å; H790-D1115 IonicContact ND1-OD1 2.7Å; H790-D1115 PolarHBondContact ND1-OD1 2.91Å; H790-Y1118 HydrophobicContact CB-CD1 4.21Å; H790-Y1118 HydrophobicContact CB-CD2 4.15Å; H790-Y1118 HydrophobicContact CB-CG 3.76Å
791	V	87.9	Confident	83.7	Confident	16 Å²	16	72.7 Å²	72.7	10%	0.097	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.8	168	-177.9	0	0	0	0	108	I774 E789 I793 V814 Y1118	I774-V791 HydrophobicContact CD1-CG2 3.48Å; I774-V791 VanDerWaalsContact CD1-CG2 3.48Å; I774-V791 HydrophobicContact CG1-CG2 3.62Å; E789-V791 PolarHBondContact O-N 2.89Å; V791-I793 HydrophobicContact CG1-CG1 4.06Å; V791-V814 HydrophobicContact CG1-CG1 3.49Å; V791-V814 VanDerWaalsContact CG1-CG1 3.49Å; V791-Y1118 HydrophobicContact CB-CE2 4.2Å
792	E	87.9	Confident	82.8	Confident	43 Å²	43	81.6 Å²	81.6	20%	0.201	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136.4	166.3	-75.6	173.1	-148.4	0	0	108.8	K794 T815 R817 K1114	E792-K794 WeakPolarHBondContact OE2-CE 3.37Å; E792-K794 IonicContact OE2-NZ 3.12Å; E792-K794 PolarHBondContact OE2-NZ 2.78Å; E792-T815 WeakPolarHBondContact CB-OG1 3.25Å; E792-T815 PolarHBondContact N-O 2.91Å; E792-T815 PolarHBondContact O-N 2.82Å; E792-T815 PolarHBondContact O-OG1 2.91Å; E792-R817 VanDerWaalsContact CD-NH2 3.25Å; E792-R817 IonicContact OE1-CZ 2.86Å; E792-R817 VanDerWaalsContact OE1-CZ 3.3Å; E792-R817 IonicContact OE1-NE 3.94Å; E792-R817 PolarHBondContact OE1-NE 2.88Å; E792-R817 IonicContact OE1-NH2 3.38Å; E792-R817 PolarHBondContact OE1-NH2 2.75Å; E792-R817 IonicContact OE2-CZ 2.67Å; E792-R817 IonicContact OE2-NE 3.85Å; E792-R817 IonicContact OE2-NH2 2.83Å; E792-R817 PolarHBondContact OE2-NH2 3.45Å; E792-K1114 IonicContact OE1-NZ 2.62Å; E792-K1114 PolarHBondContact OE1-NZ 3.47Å
793	I	88.5	Confident	81.6	Confident	64 Å²	64	79 Å²	79	33%	0.328	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.1	177.1	-51.9	174.8	0	0	0	108.3	P766 V791 L812 V814	P766-I793 HydrophobicContact CB-CD1 4.11Å; P766-I793 HydrophobicContact CB-CG2 4.2Å; V791-I793 HydrophobicContact CG1-CG1 4.06Å; I793-L812 HydrophobicContact CG2-CD1 3.51Å; I793-L812 HydrophobicContact CG2-CD2 4.42Å; I793-L812 HydrophobicContact CG2-CG 3.98Å; I793-V814 HydrophobicContact CG1-CG1 4.39Å; I793-V814 HydrophobicContact CG1-CG2 4.48Å; I793-V814 HydrophobicContact CG2-CG2 4.26Å
794	K	88.3	Confident	80.1	Confident	72 Å²	72	77.7 Å²	77.7	31%	0.313	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116	-177.4	-69.2	166.7	-174.4	150.5	0	109.4	E792 S813	E792-K794 WeakPolarHBondContact OE2-CE 3.37Å; E792-K794 IonicContact OE2-NZ 3.12Å; E792-K794 PolarHBondContact OE2-NZ 2.78Å; K794-S813 PolarHBondContact N-O 3.01Å; K794-S813 PolarHBondContact O-N 2.95Å
795	K	86.4	Confident	78.9	Confident	93 Å²	93	76.9 Å²	76.9	40%	0.404	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.7	169.1	-175.4	170.4	177.8	163.7	0	109.2	D763 I764	D763-K795 IonicContact OD1-NZ 3.93Å; D763-K795 PolarHBondContact OD1-NZ 2.82Å; D763-K795 IonicContact OD2-NZ 2.87Å; D763-K795 PolarHBondContact OD2-NZ 3.05Å; I764-K795 WeakPolarHBondContact O-CD 3.13Å; I764-K795 WeakPolarHBondContact O-CE 3.41Å; I764-K795 PolarHBondContact O-NZ 3.41Å
796	R	82.8	Confident	77.6	Confident	143 Å²	143	84.5 Å²	84.5	54%	0.54	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164.2	178.8	-67.5	177.3	170.7	172.7	-4.5	109	C811	R796-C811 HydrophobicContact CB-CB 4.18Å; R796-C811 PolarHBondContact N-O 2.83Å; R796-C811 PolarHBondContact O-N 3.11Å; R796-C811 VanDerWaalsContact O-O 3.05Å
797	I	79.9	Confident	76.6	Confident	102 Å²	102	84.3 Å²	84.3	52%	0.523	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.2	170.4	-61.2	173.9	0	0	0	106.3	S808 H809	I797-S808 VanDerWaalsContact CG2-CB 3.43Å; I797-H809 WeakPolarHBondContact CA-O 3.27Å
798	I	77.6	Confident	76.1	Confident	60 Å²	60	84.9 Å²	84.9	31%	0.308	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.4	179.3	-59.8	173.5	0	0	0	107.3	S808 H809 C811	I798-S808 CarbonylContact O-C 3.55Å; I798-S808 WeakPolarHBondContact O-CA 3.41Å; I798-H809 PolarHBondContact N-O 2.99Å; I798-H809 PolarHBondContact O-N 3.12Å; I798-C811 HydrophobicContact CD1-CB 3.73Å; I798-C811 HydrophobicContact CG1-CB 3.8Å
799	K	73.5	Confident	75.9	Confident	152 Å²	152	85.3 Å²	85.3	66%	0.661	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.8	172.1	-69.6	-176.9	177.8	-177.6	0	108.9	E801	K799-E801 PolarHBondContact O-N 2.91Å; K799-E801 VanDerWaalsContact O-N 3.09Å
800	Q	67.6	Low	76.2	Confident	89 Å²	89	83.3 Å²	83.3	42%	0.416	41%	0.405	S	S	.	.			trans	-85.5	82.6	-178.6	-161	178.3	37.8	0	0	110.8	Y802 S803 K807	Q800-Y802 PolarHBondContact O-N 3.26Å; Q800-Y802 VanDerWaalsContact O-N 3.15Å; Q800-S803 PolarHBondContact O-N 2.86Å; Q800-S803 VanDerWaalsContact O-N 3.12Å; Q800-S803 PolarHBondContact OE1-OG 2.88Å; Q800-K807 PolarHBondContact N-O 2.84Å; Q800-K807 VanDerWaalsContact N-O 3.15Å
801	E	62.8	Low	76.4	Confident	160 Å²	160	83.1 Å²	83.1	75%	0.748	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.8	-176	-60.8	-171.1	165.5	0	0	113.9	K799	K799-E801 PolarHBondContact O-N 2.91Å; K799-E801 VanDerWaalsContact O-N 3.09Å
802	Y	63.2	Low	76.7	Confident	218 Å²	218	82.4 Å²	82.4	86%	0.855	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-1.2	-179.9	-58.6	-69.8	0	0	0	114.6	Q800	Q800-Y802 PolarHBondContact O-N 3.26Å; Q800-Y802 VanDerWaalsContact O-N 3.15Å
803	S	61.8	Low	76.9	Confident	36 Å²	36	80.4 Å²	80.4	25%	0.252	39%	0.39	S	S	.	.	S	Bend	trans	-96.8	133.6	177.6	-179.1	0	0	0	0	110.8	Q800 S805 M806	Q800-S803 PolarHBondContact O-N 2.86Å; Q800-S803 VanDerWaalsContact O-N 3.12Å; Q800-S803 PolarHBondContact OE1-OG 2.88Å; S803-S805 PolarHBondContact O-N 2.75Å; S803-M806 PolarHBondContact O-N 2.74Å
804	S	55.5	Low	77.2	Confident	134 Å²	134	77.3 Å²	77.3	94%	0.937	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.6	178.7	55.5	0	0	0	0	114.1
805	S	62.5	Low	77.4	Confident	58 Å²	58	74.1 Å²	74.1	41%	0.406	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.3	178.4	-165.6	0	0	0	0	114.9	S803 K807	S803-S805 PolarHBondContact O-N 2.75Å; S805-K807 PolarHBondContact O-N 3.24Å; S805-K807 WeakPolarHBondContact OG-CD 3.35Å; S805-K807 WeakPolarHBondContact OG-CE 3.4Å; S805-K807 WeakPolarHBondContact OG-CG 3.29Å
806	M	62.5	Low	77.7	Confident	160 Å²	160	69.7 Å²	69.7	79%	0.788	34%	0.342	S	S	*	.			trans	47.8	22.8	-175.5	-73	-175.4	65.7	0	0	115.6	S803	S803-M806 PolarHBondContact O-N 2.74Å
807	K	69.7	Low	78.2	Confident	101 Å²	101	64.5 Å²	64.5	44%	0.439	32%	0.322	S	S	.	.			trans	-70.5	140.9	-174.5	-82	167.4	177.7	168.7	0	111.3	P758 Q800 S805	P758-K807 HydrophobicContact CB-CB 4.36Å; P758-K807 HydrophobicContact CB-CD 4.09Å; P758-K807 HydrophobicContact CB-CG 4.19Å; P758-K807 HydrophobicContact CG-CD 4.42Å; Q800-K807 PolarHBondContact N-O 2.84Å; Q800-K807 VanDerWaalsContact N-O 3.15Å; S805-K807 PolarHBondContact O-N 3.24Å; S805-K807 WeakPolarHBondContact OG-CD 3.35Å; S805-K807 WeakPolarHBondContact OG-CE 3.4Å; S805-K807 WeakPolarHBondContact OG-CG 3.29Å
808	S	81.3	Confident	78.8	Confident	24 Å²	24	59.6 Å²	59.6	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	140.7	166	19.9	0	0	0	0	110	P758 D759 I797 I798	P758-S808 WeakPolarHBondContact CA-O 3.49Å; D759-S808 PolarHBondContact N-O 3.04Å; D759-S808 PolarHBondContact OD1-OG 2.69Å; D759-S808 VanDerWaalsContact OD1-OG 3.12Å; D759-S808 WeakPolarHBondContact OD2-CB 3.41Å; D759-S808 PolarHBondContact OD2-OG 3.12Å; I797-S808 VanDerWaalsContact CG2-CB 3.43Å; I798-S808 CarbonylContact O-C 3.55Å; I798-S808 WeakPolarHBondContact O-CA 3.41Å
809	H	85.1	Confident	79.5	Confident	18 Å²	18	57.5 Å²	57.5	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.4	178.4	-66.2	-95.7	0	0	0	109.3	T754 T755 E756 R757 I797 I798	T754-H809 HydrophobicContact CG2-CB 4.02Å; T755-H809 PolarHBondContact O-ND1 3.19Å; E756-H809 PolarHBondContact O-CE1 2.84Å; R757-H809 PolarHBondContact O-ND1 2.82Å; I797-H809 WeakPolarHBondContact CA-O 3.27Å; I798-H809 PolarHBondContact N-O 2.99Å; I798-H809 PolarHBondContact O-N 3.12Å
810	P	89.4	Confident	80.4	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.013	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	142.4	174.9	32.6	-36	0	0	0	109.6	T755 V762 I764	T755-P810 WeakPolarHBondContact OG1-CD 3.2Å; T755-P810 VanDerWaalsContact OG1-CG 3.31Å; T755-P810 WeakPolarHBondContact OG1-CG 3.03Å; V762-P810 HydrophobicContact CB-CG 4.48Å; I764-P810 HydrophobicContact CB-CB 4.41Å; I764-P810 HydrophobicContact CD1-CB 4.17Å; I764-P810 HydrophobicContact CD1-CG 4.11Å; I764-P810 VanDerWaalsContact CD1-O 3.25Å; I764-P810 WeakPolarHBondContact CD1-O 3.28Å; I764-P810 HydrophobicContact CG1-CB 3.95Å; I764-P810 HydrophobicContact CG1-CG 3.91Å
811	C	90.2	Very high	81.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	135.4	-174.2	156.5	0	0	0	0	109.9	T752 V753 R796 I798	T752-C811 WeakPolarHBondContact CG2-SG 3.48Å; V753-C811 CarbonylContact O-C 3.57Å; V753-C811 WeakPolarHBondContact O-CA 3.42Å; R796-C811 HydrophobicContact CB-CB 4.18Å; R796-C811 PolarHBondContact N-O 2.83Å; R796-C811 PolarHBondContact O-N 3.11Å; R796-C811 VanDerWaalsContact O-O 3.05Å; I798-C811 HydrophobicContact CD1-CB 3.73Å; I798-C811 HydrophobicContact CG1-CB 3.8Å
812	L	93.4	Very high	82.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	105.4	174.9	-169.5	74.7	0	0	0	109.7	V643 V753 I764 I793 V814	V643-L812 HydrophobicContact CB-CD2 3.79Å; V643-L812 HydrophobicContact CG1-CD2 3.86Å; V753-L812 PolarHBondContact N-O 3.18Å; V753-L812 PolarHBondContact O-N 3.13Å; I764-L812 HydrophobicContact CG2-CB 3.67Å; I764-L812 HydrophobicContact CG2-CD2 4Å; I764-L812 HydrophobicContact CG2-CG 4.31Å; I793-L812 HydrophobicContact CG2-CD1 3.51Å; I793-L812 HydrophobicContact CG2-CD2 4.42Å; I793-L812 HydrophobicContact CG2-CG 3.98Å; L812-V814 HydrophobicContact CD2-CG2 4.34Å; L812-V814 HydrophobicContact CG-CG2 4.36Å
813	S	93.3	Very high	84.1	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.6	173.8	-57.7	0	0	0	0	109.4	T752 K794	T752-S813 PolarHBondContact OG1-OG 3.14Å; K794-S813 PolarHBondContact N-O 3.01Å; K794-S813 PolarHBondContact O-N 2.95Å
814	V	93.9	Very high	85.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.9	173.3	-176.1	0	0	0	0	108.2	V645 F647 T750 I751 V791 I793 L812	V645-V814 HydrophobicContact CB-CB 4.2Å; V645-V814 HydrophobicContact CB-CG1 4.19Å; V645-V814 HydrophobicContact CB-CG2 4.01Å; V645-V814 HydrophobicContact CG2-CB 4.36Å; V645-V814 HydrophobicContact CG2-CG2 3.82Å; F647-V814 HydrophobicContact CE2-CG1 4.04Å; T750-V814 CarbonylContact C-O 3.53Å; T750-V814 WeakPolarHBondContact CA-O 3.39Å; I751-V814 PolarHBondContact N-O 2.87Å; I751-V814 PolarHBondContact O-N 2.76Å; V791-V814 HydrophobicContact CG1-CG1 3.49Å; V791-V814 VanDerWaalsContact CG1-CG1 3.49Å; I793-V814 HydrophobicContact CG1-CG1 4.39Å; I793-V814 HydrophobicContact CG1-CG2 4.48Å; I793-V814 HydrophobicContact CG2-CG2 4.26Å; L812-V814 HydrophobicContact CD2-CG2 4.34Å; L812-V814 HydrophobicContact CG-CG2 4.36Å
815	T	93.6	Very high	87.2	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.7	-167.7	74	0	0	0	0	111	L749 T750 E792	L749-T815 WeakPolarHBondContact O-CA 3.16Å; T750-T815 HydrophobicContact CG2-CG2 3.32Å; E792-T815 WeakPolarHBondContact CB-OG1 3.25Å; E792-T815 PolarHBondContact N-O 2.91Å; E792-T815 PolarHBondContact O-N 2.82Å; E792-T815 PolarHBondContact O-OG1 2.91Å
816	C	92.9	Very high	88.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.1	172.3	67.9	0	0	0	0	110.5	F647 I650 L749 I774	F647-C816 HydrophobicContact CD2-CB 4.45Å; F647-C816 HydrophobicContact CE2-CB 4.08Å; F647-C816 HydrophobicContact CZ-CB 4.21Å; I650-C816 VanDerWaalsContact CD1-SG 3.59Å; L749-C816 PolarHBondContact N-O 3.4Å; L749-C816 PolarHBondContact O-N 2.98Å; L749-C816 PolarHBondContact O-SG 2.83Å; I774-C816 HydrophobicContact CD1-CB 3.4Å; I774-C816 HydrophobicContact CG1-CB 4Å
817	R	92.7	Very high	90	Very high	33 Å²	33	38.8 Å²	38.8	13%	0.125	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.6	-175.1	-57.7	-153.4	-177.5	-110.2	-16.3	112.6	V746 Q747 D748 H788 H790 E792 K1114	V746-R817 HydrophobicContact CG1-CB 4.19Å; Q747-R817 WeakPolarHBondContact O-CA 3.32Å; D748-R817 VanDerWaalsContact OD1-CD 3.27Å; D748-R817 WeakPolarHBondContact OD1-CD 3.36Å; D748-R817 VanDerWaalsContact OD1-CG 3.29Å; D748-R817 WeakPolarHBondContact OD1-CG 3.45Å; D748-R817 IonicContact OD1-CZ 2.74Å; D748-R817 IonicContact OD1-NE 3.41Å; D748-R817 PolarHBondContact OD1-NE 3.11Å; D748-R817 IonicContact OD1-NH1 3.82Å; D748-R817 PolarHBondContact OD1-NH1 2.94Å; D748-R817 IonicContact OD1-NH2 3.42Å; D748-R817 IonicContact OD2-CZ 2.67Å; D748-R817 IonicContact OD2-NE 2.72Å; D748-R817 IonicContact OD2-NH1 3.83Å; D748-R817 PolarHBondContact OD2-NH1 3.21Å; D748-R817 IonicContact OD2-NH2 2.81Å; D748-R817 PolarHBondContact OD2-NH2 3.19Å; H788-R817 HydrophobicContact CB-CB 4.41Å; H788-R817 WeakPolarHBondContact CB-O 3.43Å; H788-R817 PolarHBondContact N-O 3.47Å; H790-R817 WeakPolarHBondContact NE2-CD 3.45Å; H790-R817 WeakPolarHBondContact NE2-CG 3.4Å; E792-R817 VanDerWaalsContact CD-NH2 3.25Å; E792-R817 IonicContact OE1-CZ 2.86Å; E792-R817 VanDerWaalsContact OE1-CZ 3.3Å; E792-R817 IonicContact OE1-NE 3.94Å; E792-R817 PolarHBondContact OE1-NE 2.88Å; E792-R817 IonicContact OE1-NH2 3.38Å; E792-R817 PolarHBondContact OE1-NH2 2.75Å; E792-R817 IonicContact OE2-CZ 2.67Å; E792-R817 IonicContact OE2-NE 3.85Å; E792-R817 IonicContact OE2-NH2 2.83Å; E792-R817 PolarHBondContact OE2-NH2 3.45Å; R817-K1114 VanDerWaalsContact NE-NZ 3.19Å
818	A	92.9	Very high	91	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.5	175.7	0	0	0	0	0	110.7	I653 V746 Q747 L749 W785 L787	I653-A818 HydrophobicContact CD1-CB 4.33Å; V746-A818 CarbonylContact C-O 3.59Å; V746-A818 WeakPolarHBondContact CA-O 3.47Å; Q747-A818 PolarHBondContact N-O 2.94Å; Q747-A818 PolarHBondContact O-N 3.12Å; L749-A818 HydrophobicContact CD1-CB 4.17Å; W785-A818 HydrophobicContact CE3-CB 3.97Å; L787-A818 HydrophobicContact CD1-CB 4.48Å
819	A	92.8	Very high	91.6	Very high	15 Å²	15	36.8 Å²	36.8	12%	0.124	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.1	179	0	0	0	0	0	111.1	V746 W785 K786	V746-A819 HydrophobicContact CB-CB 4.48Å; V746-A819 HydrophobicContact CG1-CB 4.2Å; V746-A819 HydrophobicContact CG2-CB 3.8Å; W785-A819 CarbonylContact C-O 3.59Å; K786-A819 PolarHBondContact N-O 2.99Å; K786-A819 PolarHBondContact O-N 2.89Å
820	R	92.5	Very high	91.9	Very high	12 Å²	12	36.7 Å²	36.7	5%	0.045	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	149.8	178.8	-159.2	-177.5	-56.1	-93.5	-2.3	111.5	F742 D745 E784 W785 P822	F742-R820 VanDerWaalsContact CE2-CZ 3.44Å; D745-R820 PolarHBondContact O-N 3.12Å; D745-R820 IonicContact OD1-CZ 3.72Å; D745-R820 IonicContact OD1-NE 2.74Å; D745-R820 PolarHBondContact OD1-NE 2.6Å; D745-R820 IonicContact OD1-NH2 3.45Å; D745-R820 IonicContact OD2-CZ 3.8Å; D745-R820 IonicContact OD2-NE 2.68Å; D745-R820 PolarHBondContact OD2-NE 3.1Å; D745-R820 IonicContact OD2-NH2 3.28Å; D745-R820 PolarHBondContact OD2-NH2 2.85Å; E784-R820 HydrophobicContact CG-CG 4.19Å; E784-R820 IonicContact OE1-CZ 2.8Å; E784-R820 IonicContact OE1-NH1 3.24Å; E784-R820 PolarHBondContact OE1-NH1 3.26Å; W785-R820 HydrophobicContact CE3-CB 4.05Å; W785-R820 HydrophobicContact CH2-CB 4.44Å; W785-R820 VanDerWaalsContact CH2-CZ 3.46Å; W785-R820 VanDerWaalsContact CZ2-CZ 3.47Å; W785-R820 HydrophobicContact CZ3-CB 3.94Å; R820-P822 VanDerWaalsContact O-CD 3.24Å; R820-P822 WeakPolarHBondContact O-CD 3.23Å
821	R	91.1	Very high	92	Very high	111 Å²	111	39.7 Å²	39.7	42%	0.419	18%	0.182	S	C	.	.			trans	-92.2	102.6	172.3	-63.7	-178.7	-178.8	-154.5	-0.1	109.9	Q782 Q783 E784 W785 G823	Q782-R821 PolarHBondContact O-NE 3.15Å; Q782-R821 VanDerWaalsContact O-NE 3.12Å; Q782-R821 PolarHBondContact O-NH1 2.84Å; Q782-R821 PolarHBondContact O-NH2 3.36Å; Q783-R821 WeakPolarHBondContact O-CD 3.38Å; E784-R821 VanDerWaalsContact O-CB 3.23Å; E784-R821 WeakPolarHBondContact O-CB 3.1Å; E784-R821 WeakPolarHBondContact O-CG 3.37Å; E784-R821 PolarHBondContact O-N 2.92Å; W785-R821 PolarHBondContact O-NE 2.94Å; R821-G823 PolarHBondContact O-N 2.9Å
822	P	90	Very high	92.2	Very high	22 Å²	22	42.8 Å²	42.8	14%	0.143	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-0.1	-174.5	30.9	-40.6	0	0	0	115	P743 L744 R820 Y824 F825 Y826	P743-P822 HydrophobicContact CG-CB 4.44Å; L744-P822 HydrophobicContact CD2-CB 3.75Å; L744-P822 HydrophobicContact CD2-CG 3.66Å; R820-P822 VanDerWaalsContact O-CD 3.24Å; R820-P822 WeakPolarHBondContact O-CD 3.23Å; P822-Y824 VanDerWaalsContact C-N 3.34Å; P822-Y824 PolarHBondContact O-N 3.29Å; P822-F825 PolarHBondContact O-N 2.92Å; P822-F825 VanDerWaalsContact O-N 3.11Å; P822-Y826 HydrophobicContact CB-CD2 4.14Å; P822-Y826 HydrophobicContact CB-CE2 3.62Å; P822-Y826 HydrophobicContact CG-CD2 4.35Å; P822-Y826 HydrophobicContact CG-CE2 3.58Å; P822-Y826 VanDerWaalsContact O-CD2 3.3Å; P822-Y826 WeakPolarHBondContact O-CD2 3.41Å; P822-Y826 PolarHBondContact O-N 3.3Å; P822-Y826 VanDerWaalsContact O-N 3.07Å
823	G	89.8	Confident	92.1	Very high	38 Å²	38	42.8 Å²	42.8	39%	0.392	20%	0.198	S	C	.	.	H	α-helix	trans	-56.8	-41.9	-172.6	0	0	0	0	0	113.9	R821 Y826 W827	R821-G823 PolarHBondContact O-N 2.9Å; G823-Y826 PolarHBondContact O-N 2.7Å; G823-W827 VanDerWaalsContact O-CD1 3.27Å; G823-W827 PolarHBondContact O-N 2.7Å
824	Y	90.7	Very high	92.1	Very high	150 Å²	150	46.9 Å²	46.9	59%	0.588	22%	0.216	S	C	*	.	H	α-helix	trans	-59.5	-48	175.3	173.9	-90	0	0	0	111.6	P822 Y826 W827 N828	P822-Y824 VanDerWaalsContact C-N 3.34Å; P822-Y824 PolarHBondContact O-N 3.29Å; Y824-Y826 PolarHBondContact O-N 2.7Å; Y824-W827 PolarHBondContact O-N 3.4Å; Y824-N828 WeakPolarHBondContact CD2-ND2 3.44Å; Y824-N828 HydrophobicContact CE1-CB 4.35Å; Y824-N828 WeakPolarHBondContact CE2-ND2 3.16Å; Y824-N828 WeakPolarHBondContact O-CB 3.44Å; Y824-N828 PolarHBondContact O-N 2.93Å
825	F	91.5	Very high	92	Very high	14 Å²	14	52.5 Å²	52.5	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-68.5	-32.5	-176.4	-60	-85.2	0	0	0	112.6	F742 P743 P822 V829 F830 M885	F742-F825 AromaticContact CE1-CD1 4Å; F742-F825 HydrophobicContact CE1-CD1 4Å; F742-F825 AromaticContact CE1-CE1 3.53Å; F742-F825 HydrophobicContact CE1-CE1 3.53Å; F742-F825 AromaticContact CE1-CZ 3.93Å; F742-F825 HydrophobicContact CE1-CZ 3.93Å; F742-F825 HydrophobicContact CE2-CZ 4.26Å; F742-F825 HydrophobicContact CZ-CD1 4.31Å; F742-F825 AromaticContact CZ-CE1 3.44Å; F742-F825 HydrophobicContact CZ-CE1 3.44Å; F742-F825 VanDerWaalsContact CZ-CE1 3.44Å; F742-F825 HydrophobicContact CZ-CE2 4.24Å; F742-F825 AromaticContact CZ-CZ 3.4Å; F742-F825 HydrophobicContact CZ-CZ 3.4Å; F742-F825 VanDerWaalsContact CZ-CZ 3.4Å; P743-F825 HydrophobicContact CB-CB 3.92Å; P743-F825 HydrophobicContact CB-CD1 4.11Å; P743-F825 HydrophobicContact CB-CD2 3.45Å; P743-F825 VanDerWaalsContact CB-CD2 3.45Å; P743-F825 HydrophobicContact CB-CE2 3.99Å; P743-F825 HydrophobicContact CB-CG 3.53Å; P743-F825 HydrophobicContact CG-CB 3.66Å; P743-F825 HydrophobicContact CG-CD2 4.18Å; P743-F825 HydrophobicContact CG-CG 3.87Å; P822-F825 PolarHBondContact O-N 2.92Å; P822-F825 VanDerWaalsContact O-N 3.11Å; F825-V829 HydrophobicContact CD1-CG2 4.08Å; F825-V829 WeakPolarHBondContact O-CA 3.18Å; F825-V829 VanDerWaalsContact O-CB 3.31Å; F825-V829 WeakPolarHBondContact O-CB 3.44Å; F825-V829 PolarHBondContact O-N 3.24Å; F825-F830 HydrophobicContact CB-CD2 4.49Å; F825-F830 HydrophobicContact CB-CE2 4.36Å; F825-F830 WeakPolarHBondContact O-CD2 3.36Å; F825-F830 PolarHBondContact O-N 3.44Å; F825-M885 HydrophobicContact CD1-SD 4.24Å
826	Y	91.1	Very high	92.1	Very high	82 Å²	82	53.2 Å²	53.2	32%	0.322	25%	0.247	S	C	.	.	I	π-helix	trans	-60.1	-50	173	-69.1	-48.9	0	0	0	112.7	P822 G823 Y824 F830 L831 L1100	P822-Y826 HydrophobicContact CB-CD2 4.14Å; P822-Y826 HydrophobicContact CB-CE2 3.62Å; P822-Y826 HydrophobicContact CG-CD2 4.35Å; P822-Y826 HydrophobicContact CG-CE2 3.58Å; P822-Y826 VanDerWaalsContact O-CD2 3.3Å; P822-Y826 WeakPolarHBondContact O-CD2 3.41Å; P822-Y826 PolarHBondContact O-N 3.3Å; P822-Y826 VanDerWaalsContact O-N 3.07Å; G823-Y826 PolarHBondContact O-N 2.7Å; Y824-Y826 PolarHBondContact O-N 2.7Å; Y826-F830 AromaticContact CD1-CD2 3.66Å; Y826-F830 HydrophobicContact CD1-CD2 3.66Å; Y826-F830 HydrophobicContact CD1-CE2 4.17Å; Y826-F830 HydrophobicContact CD1-CG 4.43Å; Y826-F830 HydrophobicContact CE1-CD2 4.2Å; Y826-F830 HydrophobicContact CE1-CE2 4.29Å; Y826-L831 PolarHBondContact O-N 2.63Å; Y826-L831 VanDerWaalsContact O-N 3.1Å; Y826-L1100 HydrophobicContact CE1-CD1 4.28Å
827	W	92.2	Very high	92	Very high	186 Å²	186	53.2 Å²	53.2	71%	0.705	25%	0.247	S	C	*	.	I	π-helix	trans	-78.9	-37.2	-176.8	-67.3	110.1	0	0	0	113.5	G823 Y824 L831	G823-W827 VanDerWaalsContact O-CD1 3.27Å; G823-W827 PolarHBondContact O-N 2.7Å; Y824-W827 PolarHBondContact O-N 3.4Å; W827-L831 HydrophobicContact CE3-CD2 3.75Å; W827-L831 HydrophobicContact CZ3-CD2 4.11Å
828	N	91.6	Very high	91.9	Very high	70 Å²	70	52.8 Å²	52.8	37%	0.374	25%	0.253	S	S	.	.	I	π-helix	trans	-98.7	-19.2	-172	-64.6	-25	0	0	0	114.3	Y824 I832 F868	Y824-N828 WeakPolarHBondContact CD2-ND2 3.44Å; Y824-N828 HydrophobicContact CE1-CB 4.35Å; Y824-N828 WeakPolarHBondContact CE2-ND2 3.16Å; Y824-N828 WeakPolarHBondContact O-CB 3.44Å; Y824-N828 PolarHBondContact O-N 2.93Å; N828-I832 VanDerWaalsContact O-CD1 3.24Å; N828-I832 WeakPolarHBondContact O-CD1 3.47Å; N828-I832 WeakPolarHBondContact O-CG1 3.23Å; N828-F868 WeakPolarHBondContact O-CZ 3.33Å
829	V	92.1	Very high	91.9	Very high	12 Å²	12	57.6 Å²	57.6	7%	0.073	28%	0.278	C	S	.	.	I	π-helix	trans	-115.3	-60.8	-179.1	-178.9	0	0	0	0	111.3	F825 L831 I832 M833 F868 I872 M885	F825-V829 HydrophobicContact CD1-CG2 4.08Å; F825-V829 WeakPolarHBondContact O-CA 3.18Å; F825-V829 VanDerWaalsContact O-CB 3.31Å; F825-V829 WeakPolarHBondContact O-CB 3.44Å; F825-V829 PolarHBondContact O-N 3.24Å; V829-L831 PolarHBondContact O-N 2.64Å; V829-I832 PolarHBondContact O-N 3.03Å; V829-M833 WeakPolarHBondContact O-CB 3.41Å; V829-M833 PolarHBondContact O-N 2.77Å; V829-F868 HydrophobicContact CG1-CE1 4.15Å; V829-I872 HydrophobicContact CG1-CD1 3.65Å; V829-I872 HydrophobicContact CG1-CG1 4.14Å; V829-M885 HydrophobicContact CG1-CG 4.03Å; V829-M885 HydrophobicContact CG1-SD 4.01Å
830	F	92.1	Very high	91.8	Very high	16 Å²	16	57 Å²	57	7%	0.07	27%	0.273	C	S	.	.	I	π-helix	trans	-65	-42.5	-174.1	-70.5	-69.6	0	0	0	112.7	P743 F825 Y826 F834 Y888 F1096 L1100	P743-F830 HydrophobicContact CG-CE2 3.88Å; P743-F830 HydrophobicContact CG-CZ 4.36Å; F825-F830 HydrophobicContact CB-CD2 4.49Å; F825-F830 HydrophobicContact CB-CE2 4.36Å; F825-F830 WeakPolarHBondContact O-CD2 3.36Å; F825-F830 PolarHBondContact O-N 3.44Å; Y826-F830 AromaticContact CD1-CD2 3.66Å; Y826-F830 HydrophobicContact CD1-CD2 3.66Å; Y826-F830 HydrophobicContact CD1-CE2 4.17Å; Y826-F830 HydrophobicContact CD1-CG 4.43Å; Y826-F830 HydrophobicContact CE1-CD2 4.2Å; Y826-F830 HydrophobicContact CE1-CE2 4.29Å; F830-F834 WeakPolarHBondContact O-CB 3.5Å; F830-F834 PolarHBondContact O-N 3.05Å; F830-Y888 HydrophobicContact CB-CE1 4.34Å; F830-Y888 AromaticContact CD1-CD1 3.43Å; F830-Y888 HydrophobicContact CD1-CD1 3.43Å; F830-Y888 VanDerWaalsContact CD1-CD1 3.43Å; F830-Y888 HydrophobicContact CD1-CD2 4.37Å; F830-Y888 AromaticContact CD1-CE1 3.59Å; F830-Y888 HydrophobicContact CD1-CE1 3.59Å; F830-Y888 AromaticContact CD1-CG 3.82Å; F830-Y888 HydrophobicContact CD1-CG 3.82Å; F830-Y888 AromaticContact CE1-CD1 3.83Å; F830-Y888 HydrophobicContact CE1-CD1 3.83Å; F830-Y888 HydrophobicContact CE1-CE1 4.42Å; F830-Y888 AromaticContact CE1-CG 3.85Å; F830-Y888 HydrophobicContact CE1-CG 3.85Å; F830-Y888 HydrophobicContact CG-CE1 4.44Å; F830-Y888 PolarHBondContact O-OH 2.83Å; F830-F1096 AromaticContact CD1-CE1 3.89Å; F830-F1096 HydrophobicContact CD1-CE1 3.89Å; F830-F1096 AromaticContact CE1-CE1 3.56Å; F830-F1096 HydrophobicContact CE1-CE1 3.56Å; F830-F1096 AromaticContact CE1-CZ 3.74Å; F830-F1096 HydrophobicContact CE1-CZ 3.74Å; F830-F1096 HydrophobicContact CZ-CE1 4.44Å; F830-F1096 HydrophobicContact CZ-CZ 4.42Å; F830-L1100 HydrophobicContact CE1-CD1 4.04Å; F830-L1100 HydrophobicContact CE2-CD1 4.31Å; F830-L1100 HydrophobicContact CZ-CD1 3.91Å
831	L	92.1	Very high	91.6	Very high	66 Å²	66	57.9 Å²	57.9	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-66.6	-44.2	176.6	178.3	63.3	0	0	0	112.7	Y826 W827 V829 M833 F834 M835	Y826-L831 PolarHBondContact O-N 2.63Å; Y826-L831 VanDerWaalsContact O-N 3.1Å; W827-L831 HydrophobicContact CE3-CD2 3.75Å; W827-L831 HydrophobicContact CZ3-CD2 4.11Å; V829-L831 PolarHBondContact O-N 2.64Å; L831-M833 PolarHBondContact O-N 2.82Å; L831-F834 WeakPolarHBondContact O-CB 3.28Å; L831-F834 PolarHBondContact O-N 3.47Å; L831-M835 HydrophobicContact CD1-CG 4.45Å; L831-M835 HydrophobicContact CG-SD 4.47Å; L831-M835 WeakPolarHBondContact O-CG 3.31Å; L831-M835 PolarHBondContact O-N 2.94Å
832	I	93.4	Very high	91.5	Very high	65 Å²	65	55.4 Å²	55.4	33%	0.333	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-41.7	-179.2	-61.5	-169	0	0	0	110.7	N828 V829 M835 I836 F868	N828-I832 VanDerWaalsContact O-CD1 3.24Å; N828-I832 WeakPolarHBondContact O-CD1 3.47Å; N828-I832 WeakPolarHBondContact O-CG1 3.23Å; V829-I832 PolarHBondContact O-N 3.03Å; I832-M835 PolarHBondContact O-N 3.03Å; I832-I836 HydrophobicContact CG2-CD1 3.78Å; I832-I836 WeakPolarHBondContact O-CG1 3.2Å; I832-I836 PolarHBondContact O-N 2.82Å; I832-F868 HydrophobicContact CB-CE2 4.29Å; I832-F868 HydrophobicContact CB-CZ 3.93Å; I832-F868 HydrophobicContact CD1-CE2 4.4Å; I832-F868 HydrophobicContact CD1-CZ 4.46Å; I832-F868 HydrophobicContact CG2-CD2 4.3Å; I832-F868 HydrophobicContact CG2-CE1 4.48Å; I832-F868 HydrophobicContact CG2-CE2 3.75Å; I832-F868 HydrophobicContact CG2-CZ 3.85Å
833	M	92.6	Very high	91.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-35.9	173.8	-75.2	-76.8	85.1	0	0	113.2	V829 L831 I836 S837 F868 Y888 V889	V829-M833 WeakPolarHBondContact O-CB 3.41Å; V829-M833 PolarHBondContact O-N 2.77Å; L831-M833 PolarHBondContact O-N 2.82Å; M833-I836 HydrophobicContact CE-CB 4.07Å; M833-I836 HydrophobicContact CE-CD1 3.45Å; M833-I836 VanDerWaalsContact CE-CD1 3.45Å; M833-I836 HydrophobicContact CE-CG1 4.34Å; M833-I836 HydrophobicContact CE-CG2 4.19Å; M833-S837 WeakPolarHBondContact O-CB 3.12Å; M833-S837 PolarHBondContact O-N 3.16Å; M833-S837 PolarHBondContact O-OG 2.98Å; M833-F868 HydrophobicContact CE-CB 3.68Å; M833-F868 HydrophobicContact CE-CD1 3.32Å; M833-F868 HydrophobicContact CE-CE1 4.08Å; M833-F868 HydrophobicContact CE-CG 3.64Å; M833-F868 HydrophobicContact CG-CD1 3.64Å; M833-F868 HydrophobicContact CG-CE1 3.62Å; M833-F868 HydrophobicContact SD-CD1 3.57Å; M833-F868 VanDerWaalsContact SD-CD1 3.57Å; M833-F868 HydrophobicContact SD-CE1 4.21Å; M833-F868 HydrophobicContact SD-CG 4.41Å; M833-Y888 HydrophobicContact CB-CD1 4.26Å; M833-Y888 HydrophobicContact CB-CE1 3.69Å; M833-V889 HydrophobicContact CG-CG2 4.33Å; M833-V889 HydrophobicContact SD-CG1 4.28Å; M833-V889 HydrophobicContact SD-CG2 4.27Å
834	F	92.5	Very high	91.4	Very high	88 Å²	88	53.5 Å²	53.5	39%	0.386	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-44.1	170.5	177.9	-102.4	0	0	0	111.2	F830 L831 S837 G838 Y1089 H1093	F830-F834 WeakPolarHBondContact O-CB 3.5Å; F830-F834 PolarHBondContact O-N 3.05Å; L831-F834 WeakPolarHBondContact O-CB 3.28Å; L831-F834 PolarHBondContact O-N 3.47Å; F834-S837 PolarHBondContact O-OG 3.04Å; F834-S837 VanDerWaalsContact O-OG 3.07Å; F834-G838 PolarHBondContact O-N 3.11Å; F834-Y1089 HydrophobicContact CD2-CE1 4.22Å; F834-Y1089 AromaticContact CD2-CZ 3.98Å; F834-Y1089 WeakPolarHBondContact CD2-OH 3.33Å; F834-Y1089 AromaticContact CE2-CE1 3.65Å; F834-Y1089 HydrophobicContact CE2-CE1 3.65Å; F834-Y1089 AromaticContact CE2-CZ 3.9Å; F834-Y1089 WeakPolarHBondContact CE2-OH 3.4Å; F834-Y1089 HydrophobicContact CZ-CE1 4.33Å; F834-Y1089 PolarHBondContact O-OH 3.4Å; F834-H1093 AromaticContact CD2-CE1 3.95Å; F834-H1093 AromaticContact CD2-CG 3.97Å; F834-H1093 AromaticContact CD2-ND1 3.72Å
835	M	93	Very high	91.1	Very high	117 Å²	117	50.3 Å²	50.3	58%	0.576	27%	0.265	S	S	*	.	H	α-helix	trans	-65.8	-44.6	177	-67.8	-177.2	73.1	0	0	112.8	L831 I832 S837 G838 L839	L831-M835 HydrophobicContact CD1-CG 4.45Å; L831-M835 HydrophobicContact CG-SD 4.47Å; L831-M835 WeakPolarHBondContact O-CG 3.31Å; L831-M835 PolarHBondContact O-N 2.94Å; I832-M835 PolarHBondContact O-N 3.03Å; M835-S837 PolarHBondContact O-N 2.77Å; M835-G838 PolarHBondContact O-N 2.88Å; M835-L839 WeakPolarHBondContact O-CG 3.3Å; M835-L839 PolarHBondContact O-N 3.44Å
836	I	93.8	Very high	90.9	Very high	20 Å²	20	51.2 Å²	51.2	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-42.1	179.6	-72.1	164.3	0	0	0	111.6	I832 M833 L839 T864	I832-I836 HydrophobicContact CG2-CD1 3.78Å; I832-I836 WeakPolarHBondContact O-CG1 3.2Å; I832-I836 PolarHBondContact O-N 2.82Å; M833-I836 HydrophobicContact CE-CB 4.07Å; M833-I836 HydrophobicContact CE-CD1 3.45Å; M833-I836 VanDerWaalsContact CE-CD1 3.45Å; M833-I836 HydrophobicContact CE-CG1 4.34Å; M833-I836 HydrophobicContact CE-CG2 4.19Å; I836-L839 PolarHBondContact O-N 3.08Å; I836-T864 HydrophobicContact CD1-CG2 3.96Å; I836-T864 HydrophobicContact CG1-CG2 4.41Å
837	S	91.6	Very high	90.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-37.2	174.4	54.5	0	0	0	0	112.3	M833 F834 M835 L839 A840 Y1089	M833-S837 WeakPolarHBondContact O-CB 3.12Å; M833-S837 PolarHBondContact O-N 3.16Å; M833-S837 PolarHBondContact O-OG 2.98Å; F834-S837 PolarHBondContact O-OG 3.04Å; F834-S837 VanDerWaalsContact O-OG 3.07Å; M835-S837 PolarHBondContact O-N 2.77Å; S837-L839 VanDerWaalsContact C-N 3.31Å; S837-L839 PolarHBondContact O-N 2.86Å; S837-A840 WeakPolarHBondContact O-CB 3.36Å; S837-A840 PolarHBondContact O-N 2.87Å; S837-A840 VanDerWaalsContact O-N 3.08Å; S837-Y1089 WeakPolarHBondContact OG-CE2 3.47Å; S837-Y1089 PolarHBondContact OG-OH 2.9Å
838	G	91.3	Very high	89.6	Confident	25 Å²	25	41.2 Å²	41.2	26%	0.258	24%	0.241	S	C	.	.	H	α-helix	trans	-62.3	-33	174.2	0	0	0	0	0	113.8	F834 M835 A840 F841 Y1089	F834-G838 PolarHBondContact O-N 3.11Å; M835-G838 PolarHBondContact O-N 2.88Å; G838-A840 PolarHBondContact O-N 3.07Å; G838-F841 WeakPolarHBondContact O-CB 3.19Å; G838-F841 WeakPolarHBondContact O-CD2 3.12Å; G838-F841 PolarHBondContact O-N 2.97Å; G838-F841 VanDerWaalsContact O-N 3.08Å; G838-Y1089 PolarHBondContact N-OH 3.08Å
839	L	92.5	Very high	88.8	Confident	101 Å²	101	43.1 Å²	43.1	53%	0.529	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.6	-20	173.7	-74.4	172.2	0	0	0	113.1	M835 I836 S837 F841 A842 L861	M835-L839 WeakPolarHBondContact O-CG 3.3Å; M835-L839 PolarHBondContact O-N 3.44Å; I836-L839 PolarHBondContact O-N 3.08Å; S837-L839 VanDerWaalsContact C-N 3.31Å; S837-L839 PolarHBondContact O-N 2.86Å; L839-F841 PolarHBondContact O-N 3.1Å; L839-A842 WeakPolarHBondContact O-CB 3.41Å; L839-A842 PolarHBondContact O-N 3.47Å; L839-A842 VanDerWaalsContact O-N 3.08Å; L839-L861 HydrophobicContact CB-CD1 4.39Å; L839-L861 HydrophobicContact CB-CD2 3.89Å; L839-L861 HydrophobicContact CD1-CD2 4.42Å
840	A	90.8	Very high	88.4	Confident	2 Å²	2	48.9 Å²	48.9	2%	0.017	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-61.5	-28.8	173.2	0	0	0	0	0	112.2	S837 G838 A842 T843 L861 L896 I899	S837-A840 WeakPolarHBondContact O-CB 3.36Å; S837-A840 PolarHBondContact O-N 2.87Å; S837-A840 VanDerWaalsContact O-N 3.08Å; G838-A840 PolarHBondContact O-N 3.07Å; A840-A842 VanDerWaalsContact C-N 3.27Å; A840-A842 PolarHBondContact O-N 3.42Å; A840-T843 WeakPolarHBondContact O-CB 3.21Å; A840-T843 WeakPolarHBondContact O-CG2 3.48Å; A840-T843 PolarHBondContact O-N 2.67Å; A840-T843 VanDerWaalsContact O-N 3.17Å; A840-T843 PolarHBondContact O-OG1 3.27Å; A840-L861 HydrophobicContact CB-CD1 4.05Å; A840-L896 HydrophobicContact CB-CD2 3.63Å; A840-I899 HydrophobicContact CB-CD1 3.65Å; A840-I899 HydrophobicContact CB-CG2 4.41Å
841	F	88.8	Confident	87.9	Confident	30 Å²	30	49.5 Å²	49.5	13%	0.132	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-68.5	-25.4	175.8	-63.2	-62.3	0	0	0	113.3	G838 L839 T843 F844 I899 F1082 F1085 V1086 Y1089	G838-F841 WeakPolarHBondContact O-CB 3.19Å; G838-F841 WeakPolarHBondContact O-CD2 3.12Å; G838-F841 PolarHBondContact O-N 2.97Å; G838-F841 VanDerWaalsContact O-N 3.08Å; L839-F841 PolarHBondContact O-N 3.1Å; F841-T843 PolarHBondContact O-N 3.4Å; F841-F844 HydrophobicContact CD1-CE2 4.38Å; F841-F844 PolarHBondContact O-N 3.42Å; F841-I899 HydrophobicContact CE1-CD1 4.24Å; F841-I899 HydrophobicContact CZ-CD1 4.39Å; F841-F1082 HydrophobicContact CB-CE2 4.05Å; F841-F1082 HydrophobicContact CD1-CD2 4.44Å; F841-F1082 HydrophobicContact CD1-CE2 4.09Å; F841-F1082 HydrophobicContact CG-CE2 4.48Å; F841-F1085 HydrophobicContact CE1-CB 4.05Å; F841-V1086 HydrophobicContact CD1-CG2 3.45Å; F841-V1086 VanDerWaalsContact CD1-CG2 3.45Å; F841-V1086 HydrophobicContact CE1-CB 4.42Å; F841-V1086 HydrophobicContact CE1-CG2 3.6Å; F841-V1086 HydrophobicContact CG-CG2 4.02Å; F841-V1086 HydrophobicContact CZ-CG2 4.26Å; F841-Y1089 AromaticContact CE2-CD1 3.57Å; F841-Y1089 HydrophobicContact CE2-CD1 3.57Å; F841-Y1089 AromaticContact CE2-CD2 3.78Å; F841-Y1089 HydrophobicContact CE2-CD2 3.78Å; F841-Y1089 AromaticContact CE2-CE1 3.9Å; F841-Y1089 HydrophobicContact CE2-CE1 3.9Å; F841-Y1089 HydrophobicContact CE2-CE2 4.08Å; F841-Y1089 AromaticContact CE2-CG 3.51Å; F841-Y1089 HydrophobicContact CE2-CG 3.51Å; F841-Y1089 HydrophobicContact CZ-CD1 4.04Å; F841-Y1089 AromaticContact CZ-CD2 3.9Å; F841-Y1089 HydrophobicContact CZ-CD2 3.9Å; F841-Y1089 AromaticContact CZ-CG 3.57Å; F841-Y1089 HydrophobicContact CZ-CG 3.57Å
842	A	88.8	Confident	87.6	Confident	60 Å²	60	53.6 Å²	53.6	50%	0.496	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-67.6	-21.6	174.2	0	0	0	0	0	112.7	L839 A840 F844 A845	L839-A842 WeakPolarHBondContact O-CB 3.41Å; L839-A842 PolarHBondContact O-N 3.47Å; L839-A842 VanDerWaalsContact O-N 3.08Å; A840-A842 VanDerWaalsContact C-N 3.27Å; A840-A842 PolarHBondContact O-N 3.42Å; A842-F844 VanDerWaalsContact C-N 3.25Å; A842-F844 PolarHBondContact O-N 3.09Å; A842-A845 WeakPolarHBondContact O-CB 3.23Å; A842-A845 PolarHBondContact O-N 3.21Å; A842-A845 VanDerWaalsContact O-N 3.14Å
843	T	89	Confident	87.5	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.025	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-64.7	-28.9	176.5	67	0	0	0	0	112.8	A840 F841 A845 V846 L857 L861 H903	A840-T843 WeakPolarHBondContact O-CB 3.21Å; A840-T843 WeakPolarHBondContact O-CG2 3.48Å; A840-T843 PolarHBondContact O-N 2.67Å; A840-T843 VanDerWaalsContact O-N 3.17Å; A840-T843 PolarHBondContact O-OG1 3.27Å; F841-T843 PolarHBondContact O-N 3.4Å; T843-A845 PolarHBondContact O-N 3.05Å; T843-V846 PolarHBondContact O-N 3.18Å; T843-L857 HydrophobicContact CG2-CB 3.9Å; T843-L861 HydrophobicContact CG2-CD1 4.25Å; T843-H903 PolarHBondContact OG1-CE1 2.86Å; T843-H903 PolarHBondContact OG1-NE2 2.86Å
844	F	87.1	Confident	87.3	Confident	16 Å²	16	54.3 Å²	54.3	7%	0.07	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-72.3	-13.8	176.4	-66.1	-95.8	0	0	0	113.2	F841 A842 V846 I899 W902 F1082 F1085	F841-F844 HydrophobicContact CD1-CE2 4.38Å; F841-F844 PolarHBondContact O-N 3.42Å; A842-F844 VanDerWaalsContact C-N 3.25Å; A842-F844 PolarHBondContact O-N 3.09Å; F844-V846 VanDerWaalsContact C-N 3.31Å; F844-I899 HydrophobicContact CE2-CG2 3.81Å; F844-I899 HydrophobicContact CZ-CG2 4.07Å; F844-W902 AromaticContact CE1-CD1 3.66Å; F844-W902 AromaticContact CE1-NE1 3.84Å; F844-F1082 HydrophobicContact CB-CD2 3.72Å; F844-F1082 HydrophobicContact CB-CE2 4.18Å; F844-F1082 HydrophobicContact CD1-CB 4.28Å; F844-F1082 HydrophobicContact CD1-CD2 4.17Å; F844-F1082 AromaticContact CD2-CD2 3.92Å; F844-F1082 HydrophobicContact CD2-CD2 3.92Å; F844-F1082 HydrophobicContact CD2-CE2 4.4Å; F844-F1082 AromaticContact CG-CD2 3.69Å; F844-F1082 HydrophobicContact CG-CD2 3.69Å; F844-F1082 HydrophobicContact CG-CE2 4.41Å; F844-F1085 HydrophobicContact CE1-CD2 4.3Å; F844-F1085 AromaticContact CZ-CD2 3.79Å; F844-F1085 HydrophobicContact CZ-CD2 3.79Å; F844-F1085 HydrophobicContact CZ-CE2 4.29Å
845	A	85.7	Confident	87.3	Confident	83 Å²	83	51.7 Å²	51.7	69%	0.686	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-78.8	-13.3	175.6	0	0	0	0	0	113.3	A842 T843	A842-A845 WeakPolarHBondContact O-CB 3.23Å; A842-A845 PolarHBondContact O-N 3.21Å; A842-A845 VanDerWaalsContact O-N 3.14Å; T843-A845 PolarHBondContact O-N 3.05Å
846	V	85.9	Confident	87.2	Confident	32 Å²	32	54.2 Å²	54.2	19%	0.194	30%	0.298	C	S	.	.	S	Bend	trans	-79.6	135.8	172.6	-179.1	0	0	0	0	108.9	T843 F844 K850 L853 R854 L857	T843-V846 PolarHBondContact O-N 3.18Å; F844-V846 VanDerWaalsContact C-N 3.31Å; V846-K850 HydrophobicContact CG1-CB 4.11Å; V846-L853 HydrophobicContact CG1-CD2 4.02Å; V846-L853 HydrophobicContact CG1-CG 4.37Å; V846-R854 HydrophobicContact CB-CG 3.95Å; V846-R854 HydrophobicContact CG1-CG 4.05Å; V846-R854 PolarHBondContact O-NE 3.15Å; V846-R854 PolarHBondContact O-NH2 3.41Å; V846-L857 HydrophobicContact CG2-CD1 4.08Å
847	S	80	Confident	87.2	Confident	39 Å²	39	56.5 Å²	56.5	27%	0.273	31%	0.31	S	S	.	.			trans	-60.8	149.4	179.6	-50.5	0	0	0	0	113.3	D849 K850 Q1056	S847-D849 WeakPolarHBondContact CB-OD2 3.48Å; S847-D849 PolarHBondContact O-N 3.42Å; S847-K850 PolarHBondContact O-N 3.12Å; S847-K850 VanDerWaalsContact O-N 3.16Å; S847-Q1056 PolarHBondContact OG-NE2 3.02Å
848	P	76.8	Confident	87.2	Confident	20 Å²	20	56.8 Å²	56.8	13%	0.13	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-56.9	-31.7	179.2	-19.8	27.2	0	0	0	114	K850 A851 W1071	P848-K850 PolarHBondContact O-N 3.02Å; P848-A851 PolarHBondContact O-N 2.93Å; P848-A851 VanDerWaalsContact O-N 3.16Å; P848-W1071 HydrophobicContact CB-CH2 3.62Å; P848-W1071 HydrophobicContact CB-CZ3 3.93Å; P848-W1071 HydrophobicContact CG-CH2 3.54Å; P848-W1071 HydrophobicContact CG-CZ2 3.98Å; P848-W1071 HydrophobicContact CG-CZ3 4.11Å
849	D	75.1	Confident	87.3	Confident	109 Å²	109	61.5 Å²	61.5	58%	0.583	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-54.1	-22.4	178.6	-45.6	-70.9	0	0	0	113.5	S847 W1071	S847-D849 WeakPolarHBondContact CB-OD2 3.48Å; S847-D849 PolarHBondContact O-N 3.42Å; D849-W1071 WeakPolarHBondContact OD1-CH2 3.41Å; D849-W1071 WeakPolarHBondContact OD1-CZ3 3.34Å; D849-W1071 WeakPolarHBondContact OD2-CH2 3.49Å
850	K	82.8	Confident	87.5	Confident	133 Å²	133	60.2 Å²	60.2	58%	0.578	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-112.2	47	-177.3	-61.7	-177.8	-176.8	177	0	111.3	V846 S847 P848 E852 L853 R854	V846-K850 HydrophobicContact CG1-CB 4.11Å; S847-K850 PolarHBondContact O-N 3.12Å; S847-K850 VanDerWaalsContact O-N 3.16Å; P848-K850 PolarHBondContact O-N 3.02Å; K850-E852 VanDerWaalsContact C-N 3.26Å; K850-E852 PolarHBondContact O-N 3.4Å; K850-L853 HydrophobicContact CB-CB 4.19Å; K850-L853 WeakPolarHBondContact O-CB 3.45Å; K850-L853 PolarHBondContact O-N 3.49Å; K850-R854 PolarHBondContact O-N 3.37Å
851	A	82.1	Confident	87.7	Confident	30 Å²	30	61.2 Å²	61.2	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-35.9	-51.1	169.1	0	0	0	0	0	114.2	P848 L853 R854 L855 T907	P848-A851 PolarHBondContact O-N 2.93Å; P848-A851 VanDerWaalsContact O-N 3.16Å; A851-L853 VanDerWaalsContact C-N 3.34Å; A851-L853 PolarHBondContact O-N 2.87Å; A851-R854 PolarHBondContact O-N 3.29Å; A851-L855 PolarHBondContact O-N 2.86Å; A851-L855 VanDerWaalsContact O-N 3.1Å; A851-T907 HydrophobicContact CB-CG2 3.51Å
852	E	86.8	Confident	88	Confident	151 Å²	151	61.4 Å²	61.4	71%	0.706	33%	0.329	S	S	*	.	H	α-helix	trans	-57.6	-43.1	178.7	-168.7	-160.9	146.7	0	0	112.5	K850 L855 R856	K850-E852 VanDerWaalsContact C-N 3.26Å; K850-E852 PolarHBondContact O-N 3.4Å; E852-L855 PolarHBondContact O-N 2.78Å; E852-R856 WeakPolarHBondContact O-CB 3.32Å; E852-R856 PolarHBondContact O-N 3.06Å
853	L	90.1	Very high	88.3	Confident	76 Å²	76	64 Å²	64	40%	0.398	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-39.4	-179.2	-178.1	58.9	0	0	0	111.6	V846 K850 A851 R856 L857	V846-L853 HydrophobicContact CG1-CD2 4.02Å; V846-L853 HydrophobicContact CG1-CG 4.37Å; K850-L853 HydrophobicContact CB-CB 4.19Å; K850-L853 WeakPolarHBondContact O-CB 3.45Å; K850-L853 PolarHBondContact O-N 3.49Å; A851-L853 VanDerWaalsContact C-N 3.34Å; A851-L853 PolarHBondContact O-N 2.87Å; L853-R856 PolarHBondContact O-N 3.16Å; L853-L857 HydrophobicContact CD1-CG 4.42Å; L853-L857 HydrophobicContact CG-CD1 4.35Å; L853-L857 VanDerWaalsContact O-CG 3.31Å; L853-L857 WeakPolarHBondContact O-CG 3.49Å; L853-L857 PolarHBondContact O-N 3.38Å
854	R	89.9	Confident	88.6	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-61	-45.7	174.9	-72.3	175.3	165.1	-167.7	-4.1	111.8	V846 K850 A851 S858 E1078	V846-R854 HydrophobicContact CB-CG 3.95Å; V846-R854 HydrophobicContact CG1-CG 4.05Å; V846-R854 PolarHBondContact O-NE 3.15Å; V846-R854 PolarHBondContact O-NH2 3.41Å; K850-R854 PolarHBondContact O-N 3.37Å; A851-R854 PolarHBondContact O-N 3.29Å; R854-S858 WeakPolarHBondContact O-CB 3.43Å; R854-S858 PolarHBondContact O-N 2.9Å; R854-S858 PolarHBondContact O-OG 2.8Å; R854-E1078 IonicContact CZ-OE1 3.44Å; R854-E1078 IonicContact CZ-OE2 3.67Å; R854-E1078 IonicContact NH1-OE1 2.67Å; R854-E1078 PolarHBondContact NH1-OE1 2.89Å; R854-E1078 IonicContact NH1-OE2 3.65Å; R854-E1078 IonicContact NH2-OE1 3.31Å; R854-E1078 PolarHBondContact NH2-OE1 3.26Å; R854-E1078 IonicContact NH2-OE2 2.78Å; R854-E1078 PolarHBondContact NH2-OE2 3.3Å
855	L	90.6	Very high	89	Confident	34 Å²	34	66 Å²	66	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-44.4	176	-75.9	175.5	0	0	0	112	A851 E852 L857 S858 F859 H903 A904 T907	A851-L855 PolarHBondContact O-N 2.86Å; A851-L855 VanDerWaalsContact O-N 3.1Å; E852-L855 PolarHBondContact O-N 2.78Å; L855-L857 VanDerWaalsContact C-N 3.34Å; L855-L857 PolarHBondContact O-N 3.46Å; L855-S858 WeakPolarHBondContact O-CB 3.24Å; L855-S858 PolarHBondContact O-N 2.9Å; L855-S858 VanDerWaalsContact O-N 3.13Å; L855-F859 HydrophobicContact CB-CE2 4.25Å; L855-F859 HydrophobicContact CD2-CZ 4.48Å; L855-F859 WeakPolarHBondContact O-CD2 3.23Å; L855-F859 WeakPolarHBondContact O-CG 3.28Å; L855-F859 PolarHBondContact O-N 2.84Å; L855-H903 HydrophobicContact CD2-CB 3.93Å; L855-A904 HydrophobicContact CD2-CB 4.16Å; L855-T907 HydrophobicContact CD1-CG2 3.68Å; L855-T907 HydrophobicContact CG-CG2 4.16Å
856	R	92.8	Very high	89.4	Confident	170 Å²	170	65.4 Å²	65.4	64%	0.642	34%	0.335	S	S	*	.	H	α-helix	trans	-58.9	-42.6	177.3	-177.2	175.2	175.1	174.4	-1.9	112.5	E852 L853 T860	E852-R856 WeakPolarHBondContact O-CB 3.32Å; E852-R856 PolarHBondContact O-N 3.06Å; L853-R856 PolarHBondContact O-N 3.16Å; R856-T860 WeakPolarHBondContact O-CB 3.37Å; R856-T860 PolarHBondContact O-N 3.02Å; R856-T860 VanDerWaalsContact O-N 3.09Å; R856-T860 PolarHBondContact O-OG1 2.74Å
857	L	92.9	Very high	89.9	Confident	68 Å²	68	67.7 Å²	67.7	36%	0.356	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-43.4	174.1	-69.6	169.6	0	0	0	111.5	T843 V846 L853 L855 T860 L861	T843-L857 HydrophobicContact CG2-CB 3.9Å; V846-L857 HydrophobicContact CG2-CD1 4.08Å; L853-L857 HydrophobicContact CD1-CG 4.42Å; L853-L857 HydrophobicContact CG-CD1 4.35Å; L853-L857 VanDerWaalsContact O-CG 3.31Å; L853-L857 WeakPolarHBondContact O-CG 3.49Å; L853-L857 PolarHBondContact O-N 3.38Å; L855-L857 VanDerWaalsContact C-N 3.34Å; L855-L857 PolarHBondContact O-N 3.46Å; L857-T860 WeakPolarHBondContact O-CB 3.44Å; L857-T860 PolarHBondContact O-N 2.85Å; L857-L861 PolarHBondContact O-N 3.28Å
858	S	92.4	Very high	90.5	Very high	6 Å²	6	67.6 Å²	67.6	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-47	179.7	-57.7	0	0	0	0	112.4	R854 L855 T860 L861 I862 H903	R854-S858 WeakPolarHBondContact O-CB 3.43Å; R854-S858 PolarHBondContact O-N 2.9Å; R854-S858 PolarHBondContact O-OG 2.8Å; L855-S858 WeakPolarHBondContact O-CB 3.24Å; L855-S858 PolarHBondContact O-N 2.9Å; L855-S858 VanDerWaalsContact O-N 3.13Å; S858-T860 VanDerWaalsContact C-N 3.31Å; S858-T860 PolarHBondContact O-N 3.02Å; S858-L861 PolarHBondContact O-N 2.87Å; S858-I862 WeakPolarHBondContact O-CG1 3.12Å; S858-I862 PolarHBondContact O-N 3.01Å; S858-H903 PolarHBondContact OG-CD2 3.34Å
859	F	93.5	Very high	91.3	Very high	123 Å²	123	70 Å²	70	54%	0.539	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-33.3	174.9	-65.5	-40.7	0	0	0	112.8	L855 I862 L863	L855-F859 HydrophobicContact CB-CE2 4.25Å; L855-F859 HydrophobicContact CD2-CZ 4.48Å; L855-F859 WeakPolarHBondContact O-CD2 3.23Å; L855-F859 WeakPolarHBondContact O-CG 3.28Å; L855-F859 PolarHBondContact O-N 2.84Å; F859-I862 HydrophobicContact CD1-CD1 4.4Å; F859-I862 PolarHBondContact O-N 2.74Å; F859-L863 WeakPolarHBondContact O-CB 3.23Å; F859-L863 PolarHBondContact O-N 3.07Å
860	T	95.1	Very high	92.1	Very high	75 Å²	75	72 Å²	72	46%	0.46	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-44.6	174.4	-56.8	0	0	0	0	111.2	R856 L857 S858 L863 T864	R856-T860 WeakPolarHBondContact O-CB 3.37Å; R856-T860 PolarHBondContact O-N 3.02Å; R856-T860 VanDerWaalsContact O-N 3.09Å; R856-T860 PolarHBondContact O-OG1 2.74Å; L857-T860 WeakPolarHBondContact O-CB 3.44Å; L857-T860 PolarHBondContact O-N 2.85Å; S858-T860 VanDerWaalsContact C-N 3.31Å; S858-T860 PolarHBondContact O-N 3.02Å; T860-L863 PolarHBondContact O-N 2.92Å; T860-T864 PolarHBondContact O-N 3.35Å; T860-T864 PolarHBondContact O-OG1 3.23Å; T860-T864 VanDerWaalsContact O-OG1 3.05Å
861	L	95	Very high	92.6	Very high	23 Å²	23	69.5 Å²	69.5	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-40.1	177.3	-68.9	172.1	0	0	0	112.6	L839 A840 T843 L857 S858 T864 S865 L896	L839-L861 HydrophobicContact CB-CD1 4.39Å; L839-L861 HydrophobicContact CB-CD2 3.89Å; L839-L861 HydrophobicContact CD1-CD2 4.42Å; A840-L861 HydrophobicContact CB-CD1 4.05Å; T843-L861 HydrophobicContact CG2-CD1 4.25Å; L857-L861 PolarHBondContact O-N 3.28Å; S858-L861 PolarHBondContact O-N 2.87Å; L861-T864 PolarHBondContact O-N 3.25Å; L861-S865 WeakPolarHBondContact O-CB 3.34Å; L861-S865 PolarHBondContact O-N 3.37Å; L861-L896 HydrophobicContact CB-CD2 4.19Å
862	I	95.5	Very high	92.9	Very high	34 Å²	34	68.4 Å²	68.4	17%	0.174	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-47.6	172.9	-69.3	168.1	0	0	0	110.1	S858 F859 T864 S865 V866 L896	S858-I862 WeakPolarHBondContact O-CG1 3.12Å; S858-I862 PolarHBondContact O-N 3.01Å; F859-I862 HydrophobicContact CD1-CD1 4.4Å; F859-I862 PolarHBondContact O-N 2.74Å; I862-T864 PolarHBondContact O-N 3.11Å; I862-S865 PolarHBondContact O-N 3.3Å; I862-V866 WeakPolarHBondContact O-CG2 3.11Å; I862-V866 PolarHBondContact O-N 2.75Å; I862-L896 HydrophobicContact CG1-CB 3.87Å
863	L	95.8	Very high	93	Very high	114 Å²	114	64 Å²	64	60%	0.597	32%	0.322	S	S	*	.	H	α-helix	trans	-60.1	-46.5	177.3	-178.5	62.7	0	0	0	111.7	F859 T860 S865 V866 T867	F859-L863 WeakPolarHBondContact O-CB 3.23Å; F859-L863 PolarHBondContact O-N 3.07Å; T860-L863 PolarHBondContact O-N 2.92Å; L863-S865 VanDerWaalsContact C-N 3.31Å; L863-S865 PolarHBondContact O-N 2.99Å; L863-V866 PolarHBondContact O-N 3.47Å; L863-T867 PolarHBondContact O-N 2.68Å; L863-T867 PolarHBondContact O-OG1 3.47Å; L863-T867 VanDerWaalsContact O-OG1 3.08Å
864	T	95.5	Very high	93	Very high	61 Å²	61	65.6 Å²	65.6	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-58.8	-41.7	176	-58.3	0	0	0	0	111.8	I836 T860 L861 I862 T867 F868	I836-T864 HydrophobicContact CD1-CG2 3.96Å; I836-T864 HydrophobicContact CG1-CG2 4.41Å; T860-T864 PolarHBondContact O-N 3.35Å; T860-T864 PolarHBondContact O-OG1 3.23Å; T860-T864 VanDerWaalsContact O-OG1 3.05Å; L861-T864 PolarHBondContact O-N 3.25Å; I862-T864 PolarHBondContact O-N 3.11Å; T864-T867 PolarHBondContact O-N 3.02Å; T864-F868 WeakPolarHBondContact O-CB 3.33Å; T864-F868 PolarHBondContact O-N 3.44Å
865	S	94.6	Very high	92.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-36.5	178	-172.3	0	0	0	0	112.7	L861 I862 L863 F868 K869 L893	L861-S865 WeakPolarHBondContact O-CB 3.34Å; L861-S865 PolarHBondContact O-N 3.37Å; I862-S865 PolarHBondContact O-N 3.3Å; L863-S865 VanDerWaalsContact C-N 3.31Å; L863-S865 PolarHBondContact O-N 2.99Å; S865-F868 PolarHBondContact O-N 2.79Å; S865-K869 PolarHBondContact O-N 2.84Å; S865-L893 WeakPolarHBondContact OG-CD2 3.41Å
866	V	95.2	Very high	92.6	Very high	72 Å²	72	66.7 Å²	66.7	44%	0.436	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-40.5	172.8	173	0	0	0	0	111.8	I862 L863 F868 K869 Y870 L893	I862-V866 WeakPolarHBondContact O-CG2 3.11Å; I862-V866 PolarHBondContact O-N 2.75Å; L863-V866 PolarHBondContact O-N 3.47Å; V866-F868 VanDerWaalsContact C-N 3.33Å; V866-F868 PolarHBondContact O-N 2.91Å; V866-K869 WeakPolarHBondContact O-CB 3.47Å; V866-K869 PolarHBondContact O-N 3.44Å; V866-Y870 PolarHBondContact O-N 2.93Å; V866-Y870 VanDerWaalsContact O-N 3.07Å; V866-L893 HydrophobicContact CG2-CD2 3.91Å
867	T	94.9	Very high	92.4	Very high	80 Å²	80	59.7 Å²	59.7	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-61.2	-42.9	172.8	-57.8	0	0	0	0	111.2	L863 T864 Y870 V871	L863-T867 PolarHBondContact O-N 2.68Å; L863-T867 PolarHBondContact O-OG1 3.47Å; L863-T867 VanDerWaalsContact O-OG1 3.08Å; T864-T867 PolarHBondContact O-N 3.02Å; T867-Y870 WeakPolarHBondContact O-CB 3.4Å; T867-Y870 PolarHBondContact O-N 3.37Å; T867-V871 PolarHBondContact O-N 3.5Å
868	F	93.3	Very high	92.1	Very high	37 Å²	37	66.7 Å²	66.7	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-39.2	177.1	-163.9	-102.5	0	0	0	112.4	N828 V829 I832 M833 T864 S865 V866 Y870 V871 I872	N828-F868 WeakPolarHBondContact O-CZ 3.33Å; V829-F868 HydrophobicContact CG1-CE1 4.15Å; I832-F868 HydrophobicContact CB-CE2 4.29Å; I832-F868 HydrophobicContact CB-CZ 3.93Å; I832-F868 HydrophobicContact CD1-CE2 4.4Å; I832-F868 HydrophobicContact CD1-CZ 4.46Å; I832-F868 HydrophobicContact CG2-CD2 4.3Å; I832-F868 HydrophobicContact CG2-CE1 4.48Å; I832-F868 HydrophobicContact CG2-CE2 3.75Å; I832-F868 HydrophobicContact CG2-CZ 3.85Å; M833-F868 HydrophobicContact CE-CB 3.68Å; M833-F868 HydrophobicContact CE-CD1 3.32Å; M833-F868 HydrophobicContact CE-CE1 4.08Å; M833-F868 HydrophobicContact CE-CG 3.64Å; M833-F868 HydrophobicContact CG-CD1 3.64Å; M833-F868 HydrophobicContact CG-CE1 3.62Å; M833-F868 HydrophobicContact SD-CD1 3.57Å; M833-F868 VanDerWaalsContact SD-CD1 3.57Å; M833-F868 HydrophobicContact SD-CE1 4.21Å; M833-F868 HydrophobicContact SD-CG 4.41Å; T864-F868 WeakPolarHBondContact O-CB 3.33Å; T864-F868 PolarHBondContact O-N 3.44Å; S865-F868 PolarHBondContact O-N 2.79Å; V866-F868 VanDerWaalsContact C-N 3.33Å; V866-F868 PolarHBondContact O-N 2.91Å; F868-Y870 VanDerWaalsContact C-N 3.26Å; F868-Y870 PolarHBondContact O-N 3.3Å; F868-V871 PolarHBondContact O-N 3.18Å; F868-I872 HydrophobicContact CD1-CD1 3.63Å; F868-I872 HydrophobicContact CD1-CG1 4.18Å; F868-I872 HydrophobicContact CE1-CD1 3.66Å; F868-I872 HydrophobicContact CE1-CG1 4.09Å; F868-I872 WeakPolarHBondContact O-CG1 3.34Å; F868-I872 PolarHBondContact O-N 3.4Å
869	K	93.2	Very high	91.9	Very high	70 Å²	70	68.6 Å²	68.6	30%	0.304	35%	0.351	S	S	.	.	H	α-helix	trans	-54.8	-42.2	170.3	-176.4	-174.5	178.3	-60.2	0	111.7	S865 V866 I872 T873 V889 L893	S865-K869 PolarHBondContact O-N 2.84Å; V866-K869 WeakPolarHBondContact O-CB 3.47Å; V866-K869 PolarHBondContact O-N 3.44Å; K869-I872 WeakPolarHBondContact O-CB 3.3Å; K869-I872 PolarHBondContact O-N 3.31Å; K869-T873 PolarHBondContact O-N 2.87Å; K869-T873 PolarHBondContact O-OG1 3.4Å; K869-V889 HydrophobicContact CB-CG1 3.8Å; K869-V889 HydrophobicContact CD-CG1 4.36Å; K869-V889 HydrophobicContact CG-CG1 3.94Å; K869-L893 HydrophobicContact CD-CD1 4.27Å
870	Y	92.3	Very high	91.7	Very high	151 Å²	151	68.4 Å²	68.4	59%	0.592	37%	0.365	S	S	*	.	H	α-helix	trans	-63.9	-42.9	178.1	179.8	-106	0	0	0	112.5	V866 T867 F868 I872 T873 Q874	V866-Y870 PolarHBondContact O-N 2.93Å; V866-Y870 VanDerWaalsContact O-N 3.07Å; T867-Y870 WeakPolarHBondContact O-CB 3.4Å; T867-Y870 PolarHBondContact O-N 3.37Å; F868-Y870 VanDerWaalsContact C-N 3.26Å; F868-Y870 PolarHBondContact O-N 3.3Å; Y870-I872 VanDerWaalsContact C-N 3.31Å; Y870-I872 PolarHBondContact O-N 2.79Å; Y870-T873 PolarHBondContact O-N 2.86Å; Y870-Q874 WeakPolarHBondContact O-CG 3.39Å; Y870-Q874 PolarHBondContact O-N 3.2Å
871	V	92.3	Very high	91.5	Very high	80 Å²	80	68.5 Å²	68.5	49%	0.485	36%	0.357	S	S	.	.	H	α-helix	trans	-59.2	-42.8	174.1	176.9	0	0	0	0	111.2	T867 F868 Q874	T867-V871 PolarHBondContact O-N 3.5Å; F868-V871 PolarHBondContact O-N 3.18Å; V871-Q874 WeakPolarHBondContact O-CB 3.4Å; V871-Q874 PolarHBondContact O-N 3.25Å
872	I	90.2	Very high	91.3	Very high	7 Å²	7	70.8 Å²	70.8	4%	0.036	37%	0.369	C	S	.	.	H	α-helix	trans	-60.6	-48.8	175.2	-69	169.1	0	0	0	111.3	V829 F868 K869 Y870 Q874 S875 M885 V889	V829-I872 HydrophobicContact CG1-CD1 3.65Å; V829-I872 HydrophobicContact CG1-CG1 4.14Å; F868-I872 HydrophobicContact CD1-CD1 3.63Å; F868-I872 HydrophobicContact CD1-CG1 4.18Å; F868-I872 HydrophobicContact CE1-CD1 3.66Å; F868-I872 HydrophobicContact CE1-CG1 4.09Å; F868-I872 WeakPolarHBondContact O-CG1 3.34Å; F868-I872 PolarHBondContact O-N 3.4Å; K869-I872 WeakPolarHBondContact O-CB 3.3Å; K869-I872 PolarHBondContact O-N 3.31Å; Y870-I872 VanDerWaalsContact C-N 3.31Å; Y870-I872 PolarHBondContact O-N 2.79Å; I872-Q874 PolarHBondContact O-N 3.31Å; I872-Q874 VanDerWaalsContact O-N 3.12Å; I872-S875 PolarHBondContact O-N 3Å; I872-S875 PolarHBondContact O-OG 3.19Å; I872-M885 HydrophobicContact CG2-CE 3.16Å; I872-M885 HydrophobicContact CG2-CG 4.08Å; I872-M885 HydrophobicContact CG2-SD 3.45Å; I872-M885 WeakPolarHBondContact CG2-SD 3.37Å; I872-V889 HydrophobicContact CD1-CG2 3.53Å
873	T	88.7	Confident	91.1	Very high	58 Å²	58	69.2 Å²	69.2	36%	0.356	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-19.7	-178.5	-56.8	0	0	0	0	112.9	K869 Y870 S875 L876	K869-T873 PolarHBondContact O-N 2.87Å; K869-T873 PolarHBondContact O-OG1 3.4Å; Y870-T873 PolarHBondContact O-N 2.86Å; T873-S875 VanDerWaalsContact C-N 3.28Å; T873-S875 PolarHBondContact O-N 3.2Å; T873-L876 VanDerWaalsContact O-O 3.12Å
874	Q	89	Confident	90.9	Very high	111 Å²	111	64.7 Å²	64.7	52%	0.519	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.3	172.5	-68.9	176.4	-23	0	0	113.9	Y870 V871 I872	Y870-Q874 WeakPolarHBondContact O-CG 3.39Å; Y870-Q874 PolarHBondContact O-N 3.2Å; V871-Q874 WeakPolarHBondContact O-CB 3.4Å; V871-Q874 PolarHBondContact O-N 3.25Å; I872-Q874 PolarHBondContact O-N 3.31Å; I872-Q874 VanDerWaalsContact O-N 3.12Å
875	S	85.7	Confident	90.6	Very high	48 Å²	48	61.8 Å²	61.8	34%	0.336	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.9	178.4	68.5	0	0	0	0	114.3	I872 T873	I872-S875 PolarHBondContact O-N 3Å; I872-S875 PolarHBondContact O-OG 3.19Å; T873-S875 VanDerWaalsContact C-N 3.28Å; T873-S875 PolarHBondContact O-N 3.2Å
876	L	87.2	Confident	90.5	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.063	32%	0.323	C	S	.	.	S	Bend	trans	-119.4	146.8	-178.5	-72.9	174.3	0	0	0	111.4	L739 F742 T873 T883 M885	L739-L876 HydrophobicContact CD1-CD2 4.24Å; F742-L876 HydrophobicContact CD1-CD1 4.38Å; F742-L876 HydrophobicContact CD1-CD2 4Å; F742-L876 HydrophobicContact CD2-CD2 3.72Å; F742-L876 HydrophobicContact CE1-CD2 4.02Å; F742-L876 HydrophobicContact CE1-CG 4.4Å; F742-L876 HydrophobicContact CE2-CD2 3.71Å; F742-L876 HydrophobicContact CG-CD2 3.83Å; F742-L876 HydrophobicContact CZ-CD2 3.85Å; F742-L876 HydrophobicContact CZ-CG 4.47Å; T873-L876 VanDerWaalsContact O-O 3.12Å; L876-T883 HydrophobicContact CD1-CG2 3.93Å; L876-M885 HydrophobicContact CD1-CE 3.43Å; L876-M885 VanDerWaalsContact CD1-CE 3.43Å; L876-M885 HydrophobicContact CG-CE 4.15Å
877	P	87.9	Confident	90.4	Very high	23 Å²	23	62.6 Å²	62.6	15%	0.149	32%	0.317	C	S	.	.			trans	-64.1	161.3	166.2	29.4	-33.5	0	0	0	110.2	T655 L739 I879	T655-P877 VanDerWaalsContact O-CD 3.31Å; T655-P877 WeakPolarHBondContact O-CD 3.35Å; T655-P877 WeakPolarHBondContact O-CG 3.17Å; L739-P877 HydrophobicContact CD1-CG 3.39Å; P877-I879 VanDerWaalsContact C-N 3.26Å; P877-I879 HydrophobicContact CG-CG2 4.26Å; P877-I879 PolarHBondContact O-N 2.95Å
878	K	87	Confident	90.3	Very high	216 Å²	216	59.2 Å²	59.2	94%	0.939	30%	0.295	S	S	*	.			trans	-75.9	74.2	-177.8	-67.1	-179.4	-178	174.6	0	111.8
879	I	87.4	Confident	90.3	Very high	45 Å²	45	57.5 Å²	57.5	23%	0.231	29%	0.288	C	S	.	.			trans	-76.8	148.9	175.5	52.2	176.8	0	0	0	112.3	L739 P877 Y881 T883	L739-I879 HydrophobicContact CB-CD1 4.3Å; L739-I879 HydrophobicContact CD1-CG2 4.38Å; P877-I879 VanDerWaalsContact C-N 3.26Å; P877-I879 HydrophobicContact CG-CG2 4.26Å; P877-I879 PolarHBondContact O-N 2.95Å; I879-Y881 HydrophobicContact CB-CD1 4.4Å; I879-Y881 HydrophobicContact CB-CD2 4.45Å; I879-Y881 HydrophobicContact CB-CE1 4.13Å; I879-Y881 HydrophobicContact CB-CE2 4.17Å; I879-Y881 HydrophobicContact CD1-CD2 3.95Å; I879-Y881 HydrophobicContact CD1-CE2 3.56Å; I879-Y881 HydrophobicContact CG1-CE2 4.39Å; I879-Y881 HydrophobicContact CG2-CE1 4.1Å; I879-Y881 HydrophobicContact CG2-CE2 4.32Å; I879-T883 HydrophobicContact CD1-CG2 3.4Å
880	S	89.1	Confident	90.3	Very high	119 Å²	119	57.7 Å²	57.7	83%	0.832	29%	0.292	S	S	*	.	S	Bend	trans	-86.3	-19.8	178.5	55	0	0	0	0	113.7
881	Y	91.9	Very high	90.3	Very high	77 Å²	77	53.3 Å²	53.3	30%	0.302	28%	0.277	S	S	.	.	S	Bend	trans	-97.6	166.4	179.1	57.3	-102.7	0	0	0	111.9	L739 N740 I879	L739-Y881 HydrophobicContact CB-CE2 4.21Å; L739-Y881 PolarHBondContact N-OH 3.06Å; N740-Y881 HydrophobicContact CB-CE2 4.39Å; N740-Y881 WeakPolarHBondContact OD1-CD2 3.47Å; I879-Y881 HydrophobicContact CB-CD1 4.4Å; I879-Y881 HydrophobicContact CB-CD2 4.45Å; I879-Y881 HydrophobicContact CB-CE1 4.13Å; I879-Y881 HydrophobicContact CB-CE2 4.17Å; I879-Y881 HydrophobicContact CD1-CD2 3.95Å; I879-Y881 HydrophobicContact CD1-CE2 3.56Å; I879-Y881 HydrophobicContact CG1-CE2 4.39Å; I879-Y881 HydrophobicContact CG2-CE1 4.1Å; I879-Y881 HydrophobicContact CG2-CE2 4.32Å
882	L	89.7	Confident	90.3	Very high	72 Å²	72	49.5 Å²	49.5	38%	0.377	25%	0.254	S	S	.	.			trans	-104.4	118	-170.3	-167.9	75.1	0	0	0	112.5	D886 K887 L890	L882-D886 HydrophobicContact CD1-CB 3.38Å; L882-D886 HydrophobicContact CG-CB 3.96Å; L882-K887 HydrophobicContact CD2-CB 4.41Å; L882-K887 HydrophobicContact CD2-CG 3.45Å; L882-K887 VanDerWaalsContact CD2-CG 3.45Å; L882-K887 HydrophobicContact CG-CG 3.87Å; L882-K887 VanDerWaalsContact O-CE 3.27Å; L882-K887 WeakPolarHBondContact O-CE 3.26Å; L882-K887 PolarHBondContact O-NZ 3.1Å; L882-L890 HydrophobicContact CD1-CD1 3.64Å; L882-L890 HydrophobicContact CD2-CD1 3.91Å; L882-L890 HydrophobicContact CG-CD1 4.43Å
883	T	92.5	Very high	90.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.			trans	-70.8	165.8	179.9	72.4	0	0	0	0	113.1	L739 N740 F742 L876 I879 M885 D886 K887	L739-T883 WeakPolarHBondContact O-CG2 3.25Å; N740-T883 WeakPolarHBondContact O-CA 3.46Å; F742-T883 HydrophobicContact CB-CG2 4.24Å; L876-T883 HydrophobicContact CD1-CG2 3.93Å; I879-T883 HydrophobicContact CD1-CG2 3.4Å; T883-M885 VanDerWaalsContact C-N 3.27Å; T883-M885 PolarHBondContact O-N 3.5Å; T883-M885 PolarHBondContact OG1-N 3.22Å; T883-D886 WeakPolarHBondContact CB-OD2 3.19Å; T883-D886 WeakPolarHBondContact CG2-OD2 3.45Å; T883-D886 PolarHBondContact O-N 3.23Å; T883-D886 VanDerWaalsContact OG1-CG 3.25Å; T883-D886 PolarHBondContact OG1-N 3.01Å; T883-D886 PolarHBondContact OG1-OD2 2.97Å; T883-K887 WeakPolarHBondContact O-CB 3.35Å; T883-K887 WeakPolarHBondContact O-CD 3.45Å; T883-K887 VanDerWaalsContact O-CG 3.26Å; T883-K887 WeakPolarHBondContact O-CG 3.41Å; T883-K887 PolarHBondContact O-N 3.17Å
884	Y	90.5	Very high	90.6	Very high	20 Å²	20	53.8 Å²	53.8	8%	0.078	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-37.1	170	-74.7	-28.2	0	0	0	113	N740 D741 K887 Y888 W1099 L1100 D1103 R1107	N740-Y884 PolarHBondContact O-N 2.91Å; D741-Y884 HydrophobicContact CB-CD2 3.97Å; D741-Y884 HydrophobicContact CB-CE2 3.77Å; D741-Y884 WeakPolarHBondContact O-CD2 3.15Å; D741-Y884 WeakPolarHBondContact OD1-CE2 3.36Å; D741-Y884 VanDerWaalsContact OD1-CZ 3.28Å; D741-Y884 PolarHBondContact OD1-OH 3.19Å; Y884-K887 HydrophobicContact CD1-CD 4.05Å; Y884-Y888 PolarHBondContact O-N 3.29Å; Y884-W1099 AromaticContact CD1-CH2 3.82Å; Y884-W1099 HydrophobicContact CD1-CH2 3.82Å; Y884-W1099 AromaticContact CD1-CZ3 3.84Å; Y884-W1099 HydrophobicContact CD1-CZ3 3.84Å; Y884-W1099 AromaticContact CE1-CH2 3.35Å; Y884-W1099 HydrophobicContact CE1-CH2 3.35Å; Y884-W1099 AromaticContact CE1-CZ2 3.85Å; Y884-W1099 HydrophobicContact CE1-CZ2 3.85Å; Y884-W1099 AromaticContact CE1-CZ3 3.78Å; Y884-W1099 HydrophobicContact CE1-CZ3 3.78Å; Y884-L1100 HydrophobicContact CD2-CD2 4.3Å; Y884-L1100 HydrophobicContact CG-CD2 4.46Å; Y884-D1103 WeakPolarHBondContact CE2-OD2 3.07Å; Y884-D1103 PolarHBondContact OH-OD2 2.98Å; Y884-R1107 PolarHBondContact OH-NH2 3.36Å
885	M	90.5	Very high	90.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-46.9	174.1	-177.8	175.9	58.1	0	0	111.9	F742 F825 V829 I872 L876 T883 K887 Y888 V889	F742-M885 HydrophobicContact CD1-CB 4.39Å; F742-M885 HydrophobicContact CD1-CE 3.53Å; F742-M885 HydrophobicContact CD1-SD 4.17Å; F742-M885 HydrophobicContact CE1-CE 3.33Å; F742-M885 HydrophobicContact CE1-SD 3.8Å; F742-M885 HydrophobicContact CZ-CE 4.46Å; F742-M885 PolarHBondContact O-N 3.45Å; F825-M885 HydrophobicContact CD1-SD 4.24Å; V829-M885 HydrophobicContact CG1-CG 4.03Å; V829-M885 HydrophobicContact CG1-SD 4.01Å; I872-M885 HydrophobicContact CG2-CE 3.16Å; I872-M885 HydrophobicContact CG2-CG 4.08Å; I872-M885 HydrophobicContact CG2-SD 3.45Å; I872-M885 WeakPolarHBondContact CG2-SD 3.37Å; L876-M885 HydrophobicContact CD1-CE 3.43Å; L876-M885 VanDerWaalsContact CD1-CE 3.43Å; L876-M885 HydrophobicContact CG-CE 4.15Å; T883-M885 VanDerWaalsContact C-N 3.27Å; T883-M885 PolarHBondContact O-N 3.5Å; T883-M885 PolarHBondContact OG1-N 3.22Å; M885-K887 PolarHBondContact O-N 2.97Å; M885-Y888 WeakPolarHBondContact O-CB 3.39Å; M885-Y888 PolarHBondContact O-N 2.96Å; M885-V889 WeakPolarHBondContact O-CG2 3.1Å; M885-V889 PolarHBondContact O-N 3.46Å
886	D	92.4	Very high	91.1	Very high	16 Å²	16	47.3 Å²	47.3	9%	0.086	23%	0.234	C	C	.	.	H	α-helix	trans	-66.8	-37.5	178.6	-63.3	-60.8	0	0	0	112.1	L882 T883 Y888 V889 L890	L882-D886 HydrophobicContact CD1-CB 3.38Å; L882-D886 HydrophobicContact CG-CB 3.96Å; T883-D886 WeakPolarHBondContact CB-OD2 3.19Å; T883-D886 WeakPolarHBondContact CG2-OD2 3.45Å; T883-D886 PolarHBondContact O-N 3.23Å; T883-D886 VanDerWaalsContact OG1-CG 3.25Å; T883-D886 PolarHBondContact OG1-N 3.01Å; T883-D886 PolarHBondContact OG1-OD2 2.97Å; D886-Y888 VanDerWaalsContact C-N 3.25Å; D886-Y888 PolarHBondContact O-N 2.62Å; D886-V889 PolarHBondContact O-N 3.47Å; D886-L890 WeakPolarHBondContact O-CB 3.42Å; D886-L890 WeakPolarHBondContact O-CG 3.18Å; D886-L890 PolarHBondContact O-N 2.94Å
887	K	92	Very high	91.4	Very high	73 Å²	73	49.3 Å²	49.3	32%	0.317	25%	0.248	S	C	.	.	H	α-helix	trans	-54	-43.3	171.6	-75.8	159	-177.8	139.7	0	111.1	L882 T883 Y884 M885 M891	L882-K887 HydrophobicContact CD2-CB 4.41Å; L882-K887 HydrophobicContact CD2-CG 3.45Å; L882-K887 VanDerWaalsContact CD2-CG 3.45Å; L882-K887 HydrophobicContact CG-CG 3.87Å; L882-K887 VanDerWaalsContact O-CE 3.27Å; L882-K887 WeakPolarHBondContact O-CE 3.26Å; L882-K887 PolarHBondContact O-NZ 3.1Å; T883-K887 WeakPolarHBondContact O-CB 3.35Å; T883-K887 WeakPolarHBondContact O-CD 3.45Å; T883-K887 VanDerWaalsContact O-CG 3.26Å; T883-K887 WeakPolarHBondContact O-CG 3.41Å; T883-K887 PolarHBondContact O-N 3.17Å; Y884-K887 HydrophobicContact CD1-CD 4.05Å; M885-K887 PolarHBondContact O-N 2.97Å; K887-M891 VanDerWaalsContact O-CB 3.23Å; K887-M891 WeakPolarHBondContact O-CB 3.33Å; K887-M891 PolarHBondContact O-N 3.47Å
888	Y	93.1	Very high	91.6	Very high	8 Å²	8	51.1 Å²	51.1	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-45.1	176.9	-175.4	-111.5	0	0	0	113.3	F830 M833 Y884 M885 D886 L890 M891 S892 H1093 F1096	F830-Y888 HydrophobicContact CB-CE1 4.34Å; F830-Y888 AromaticContact CD1-CD1 3.43Å; F830-Y888 HydrophobicContact CD1-CD1 3.43Å; F830-Y888 VanDerWaalsContact CD1-CD1 3.43Å; F830-Y888 HydrophobicContact CD1-CD2 4.37Å; F830-Y888 AromaticContact CD1-CE1 3.59Å; F830-Y888 HydrophobicContact CD1-CE1 3.59Å; F830-Y888 AromaticContact CD1-CG 3.82Å; F830-Y888 HydrophobicContact CD1-CG 3.82Å; F830-Y888 AromaticContact CE1-CD1 3.83Å; F830-Y888 HydrophobicContact CE1-CD1 3.83Å; F830-Y888 HydrophobicContact CE1-CE1 4.42Å; F830-Y888 AromaticContact CE1-CG 3.85Å; F830-Y888 HydrophobicContact CE1-CG 3.85Å; F830-Y888 HydrophobicContact CG-CE1 4.44Å; F830-Y888 PolarHBondContact O-OH 2.83Å; M833-Y888 HydrophobicContact CB-CD1 4.26Å; M833-Y888 HydrophobicContact CB-CE1 3.69Å; Y884-Y888 PolarHBondContact O-N 3.29Å; M885-Y888 WeakPolarHBondContact O-CB 3.39Å; M885-Y888 PolarHBondContact O-N 2.96Å; D886-Y888 VanDerWaalsContact C-N 3.25Å; D886-Y888 PolarHBondContact O-N 2.62Å; Y888-L890 VanDerWaalsContact C-N 3.34Å; Y888-L890 PolarHBondContact O-N 3.46Å; Y888-M891 PolarHBondContact O-N 2.91Å; Y888-S892 WeakPolarHBondContact O-CB 3.37Å; Y888-S892 PolarHBondContact O-N 3.38Å; Y888-H1093 AromaticContact CE2-CE1 3.51Å; Y888-H1093 AromaticContact CE2-ND1 3.45Å; Y888-H1093 WeakPolarHBondContact CE2-ND1 3.19Å; Y888-H1093 AromaticContact CZ-CE1 3.54Å; Y888-H1093 AromaticContact CZ-ND1 3.66Å; Y888-H1093 PolarHBondContact OH-CE1 3.47Å; Y888-H1093 PolarHBondContact OH-ND1 3.37Å; Y888-H1093 VanDerWaalsContact OH-ND1 3.1Å; Y888-F1096 AromaticContact CD2-CD1 3.27Å; Y888-F1096 HydrophobicContact CD2-CD1 3.27Å; Y888-F1096 HydrophobicContact CD2-CD2 4.23Å; Y888-F1096 AromaticContact CD2-CE1 3.2Å; Y888-F1096 HydrophobicContact CD2-CE1 3.2Å; Y888-F1096 HydrophobicContact CD2-CE2 4.2Å; Y888-F1096 AromaticContact CD2-CG 3.81Å; Y888-F1096 HydrophobicContact CD2-CG 3.81Å; Y888-F1096 AromaticContact CD2-CZ 3.73Å; Y888-F1096 HydrophobicContact CD2-CZ 3.73Å; Y888-F1096 AromaticContact CE2-CD1 3.52Å; Y888-F1096 HydrophobicContact CE2-CD1 3.52Å; Y888-F1096 AromaticContact CE2-CE1 3.75Å; Y888-F1096 HydrophobicContact CE2-CE1 3.75Å; Y888-F1096 HydrophobicContact CE2-CG 4.24Å; Y888-F1096 HydrophobicContact CG-CD1 4.21Å; Y888-F1096 AromaticContact CG-CE1 3.67Å; Y888-F1096 HydrophobicContact CG-CE1 3.67Å; Y888-F1096 AromaticContact CG-CZ 3.91Å; Y888-F1096 HydrophobicContact CG-CZ 3.91Å
889	V	92.9	Very high	91.8	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-41.4	179.2	175.7	0	0	0	0	110.8	M833 K869 I872 M885 D886 S892 L893	M833-V889 HydrophobicContact CG-CG2 4.33Å; M833-V889 HydrophobicContact SD-CG1 4.28Å; M833-V889 HydrophobicContact SD-CG2 4.27Å; K869-V889 HydrophobicContact CB-CG1 3.8Å; K869-V889 HydrophobicContact CD-CG1 4.36Å; K869-V889 HydrophobicContact CG-CG1 3.94Å; I872-V889 HydrophobicContact CD1-CG2 3.53Å; M885-V889 WeakPolarHBondContact O-CG2 3.1Å; M885-V889 PolarHBondContact O-N 3.46Å; D886-V889 PolarHBondContact O-N 3.47Å; V889-S892 PolarHBondContact O-N 2.96Å; V889-L893 HydrophobicContact CG1-CD1 4.17Å; V889-L893 WeakPolarHBondContact O-CB 3.45Å; V889-L893 WeakPolarHBondContact O-CG 3.31Å; V889-L893 PolarHBondContact O-N 2.82Å
890	L	92.9	Very high	92	Very high	74 Å²	74	39.4 Å²	39.4	39%	0.387	21%	0.205	S	C	.	.	H	α-helix	trans	-66.2	-37.7	173.4	-70.3	-178.2	0	0	0	112.4	L882 D886 Y888 L893 F894	L882-L890 HydrophobicContact CD1-CD1 3.64Å; L882-L890 HydrophobicContact CD2-CD1 3.91Å; L882-L890 HydrophobicContact CG-CD1 4.43Å; D886-L890 WeakPolarHBondContact O-CB 3.42Å; D886-L890 WeakPolarHBondContact O-CG 3.18Å; D886-L890 PolarHBondContact O-N 2.94Å; Y888-L890 VanDerWaalsContact C-N 3.34Å; Y888-L890 PolarHBondContact O-N 3.46Å; L890-L893 HydrophobicContact CD2-CD1 4.3Å; L890-L893 PolarHBondContact O-N 2.97Å; L890-F894 WeakPolarHBondContact O-CB 3.31Å; L890-F894 PolarHBondContact O-N 3.46Å
891	M	92.4	Very high	92.2	Very high	60 Å²	60	38.9 Å²	38.9	30%	0.296	19%	0.192	S	C	.	.	H	α-helix	trans	-64.7	-42.9	175.8	-168.4	-83.6	147.9	0	0	111.6	K887 Y888 F894 I895 A1092	K887-M891 VanDerWaalsContact O-CB 3.23Å; K887-M891 WeakPolarHBondContact O-CB 3.33Å; K887-M891 PolarHBondContact O-N 3.47Å; Y888-M891 PolarHBondContact O-N 2.91Å; M891-F894 PolarHBondContact O-N 2.85Å; M891-I895 HydrophobicContact CE-CD1 3.39Å; M891-I895 HydrophobicContact CE-CG1 3.57Å; M891-I895 WeakPolarHBondContact O-CG1 3.49Å; M891-I895 PolarHBondContact O-N 3.25Å; M891-I895 HydrophobicContact SD-CD1 3.53Å; M891-I895 VanDerWaalsContact SD-CD1 3.53Å; M891-I895 HydrophobicContact SD-CG1 4.21Å; M891-A1092 HydrophobicContact CE-CB 3.4Å; M891-A1092 VanDerWaalsContact CE-CB 3.4Å; M891-A1092 HydrophobicContact SD-CB 4.25Å
892	S	92.5	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-47.1	171.3	175.9	0	0	0	0	112.2	Y888 V889 F894 I895 L896	Y888-S892 WeakPolarHBondContact O-CB 3.37Å; Y888-S892 PolarHBondContact O-N 3.38Å; V889-S892 PolarHBondContact O-N 2.96Å; S892-F894 VanDerWaalsContact C-N 3.3Å; S892-F894 PolarHBondContact O-N 2.93Å; S892-I895 PolarHBondContact O-N 3.33Å; S892-L896 WeakPolarHBondContact O-CG 3.4Å; S892-L896 PolarHBondContact O-N 3.43Å
893	L	93.5	Very high	92	Very high	21 Å²	21	34.2 Å²	34.2	11%	0.11	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-38.8	175.1	-78.2	165.5	0	0	0	111.9	S865 V866 K869 V889 L890 L896 C897	S865-L893 WeakPolarHBondContact OG-CD2 3.41Å; V866-L893 HydrophobicContact CG2-CD2 3.91Å; K869-L893 HydrophobicContact CD-CD1 4.27Å; V889-L893 HydrophobicContact CG1-CD1 4.17Å; V889-L893 WeakPolarHBondContact O-CB 3.45Å; V889-L893 WeakPolarHBondContact O-CG 3.31Å; V889-L893 PolarHBondContact O-N 2.82Å; L890-L893 HydrophobicContact CD2-CD1 4.3Å; L890-L893 PolarHBondContact O-N 2.97Å; L893-L896 PolarHBondContact O-N 3.13Å; L893-C897 PolarHBondContact O-N 3.1Å; L893-C897 PolarHBondContact O-SG 3.29Å
894	F	93.5	Very high	91.8	Very high	133 Å²	133	35.8 Å²	35.8	58%	0.583	18%	0.182	S	C	*	.	H	α-helix	trans	-65.5	-40.9	177.8	-173.7	-109.7	0	0	0	112.2	L890 M891 S892 C897 I898	L890-F894 WeakPolarHBondContact O-CB 3.31Å; L890-F894 PolarHBondContact O-N 3.46Å; M891-F894 PolarHBondContact O-N 2.85Å; S892-F894 VanDerWaalsContact C-N 3.3Å; S892-F894 PolarHBondContact O-N 2.93Å; F894-C897 PolarHBondContact O-N 2.94Å; F894-I898 HydrophobicContact CD1-CD1 3.76Å; F894-I898 HydrophobicContact CE1-CD1 3.44Å; F894-I898 VanDerWaalsContact CE1-CD1 3.44Å; F894-I898 HydrophobicContact CE1-CG1 4.41Å; F894-I898 HydrophobicContact CG-CD1 4.47Å; F894-I898 HydrophobicContact CZ-CD1 3.89Å; F894-I898 HydrophobicContact CZ-CG1 4.49Å; F894-I898 WeakPolarHBondContact O-CG1 3.49Å; F894-I898 PolarHBondContact O-N 3.04Å
895	I	91.8	Very high	91.6	Very high	18 Å²	18	37.9 Å²	37.9	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-48.1	170.6	-63.8	156.7	0	0	0	110.7	M891 S892 C897 I898 I899 Y1089	M891-I895 HydrophobicContact CE-CD1 3.39Å; M891-I895 HydrophobicContact CE-CG1 3.57Å; M891-I895 WeakPolarHBondContact O-CG1 3.49Å; M891-I895 PolarHBondContact O-N 3.25Å; M891-I895 HydrophobicContact SD-CD1 3.53Å; M891-I895 VanDerWaalsContact SD-CD1 3.53Å; M891-I895 HydrophobicContact SD-CG1 4.21Å; S892-I895 PolarHBondContact O-N 3.33Å; I895-C897 VanDerWaalsContact C-N 3.3Å; I895-C897 PolarHBondContact O-N 3.25Å; I895-I898 PolarHBondContact O-N 2.87Å; I895-I898 VanDerWaalsContact O-N 3.14Å; I895-I899 HydrophobicContact CG2-CD1 3.75Å; I895-I899 HydrophobicContact CG2-CG1 4.35Å; I895-I899 WeakPolarHBondContact O-CG1 3.39Å; I895-I899 PolarHBondContact O-N 3.34Å; I895-Y1089 HydrophobicContact CD1-CD2 3.82Å; I895-Y1089 HydrophobicContact CD1-CE2 4.19Å; I895-Y1089 HydrophobicContact CG2-CD2 4.26Å
896	L	93.2	Very high	91.3	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-59.9	-40.5	179.5	-70.8	173.9	0	0	0	111.8	A840 L861 I862 S892 L893 I899 S900	A840-L896 HydrophobicContact CB-CD2 3.63Å; L861-L896 HydrophobicContact CB-CD2 4.19Å; I862-L896 HydrophobicContact CG1-CB 3.87Å; S892-L896 WeakPolarHBondContact O-CG 3.4Å; S892-L896 PolarHBondContact O-N 3.43Å; L893-L896 PolarHBondContact O-N 3.13Å; L896-I899 PolarHBondContact O-N 3.19Å; L896-S900 WeakPolarHBondContact O-CB 3.32Å; L896-S900 PolarHBondContact O-N 2.97Å
897	C	93.5	Very high	90.7	Very high	54 Å²	54	39.2 Å²	39.2	37%	0.365	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-44.6	173.1	-71.3	0	0	0	0	112.2	L893 F894 I895 I899 S900 I901	L893-C897 PolarHBondContact O-N 3.1Å; L893-C897 PolarHBondContact O-SG 3.29Å; F894-C897 PolarHBondContact O-N 2.94Å; I895-C897 VanDerWaalsContact C-N 3.3Å; I895-C897 PolarHBondContact O-N 3.25Å; C897-I899 PolarHBondContact O-N 3.49Å; C897-S900 PolarHBondContact O-N 2.61Å; C897-I901 VanDerWaalsContact O-CG1 3.25Å; C897-I901 WeakPolarHBondContact O-CG1 3.33Å; C897-I901 PolarHBondContact O-N 2.84Å
898	I	92.3	Very high	90.2	Very high	62 Å²	62	40.9 Å²	40.9	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-45	176.8	-70.7	167.2	0	0	0	111.2	F894 I895 S900 I901 W902 F1085	F894-I898 HydrophobicContact CD1-CD1 3.76Å; F894-I898 HydrophobicContact CE1-CD1 3.44Å; F894-I898 VanDerWaalsContact CE1-CD1 3.44Å; F894-I898 HydrophobicContact CE1-CG1 4.41Å; F894-I898 HydrophobicContact CG-CD1 4.47Å; F894-I898 HydrophobicContact CZ-CD1 3.89Å; F894-I898 HydrophobicContact CZ-CG1 4.49Å; F894-I898 WeakPolarHBondContact O-CG1 3.49Å; F894-I898 PolarHBondContact O-N 3.04Å; I895-I898 PolarHBondContact O-N 2.87Å; I895-I898 VanDerWaalsContact O-N 3.14Å; I898-S900 VanDerWaalsContact C-N 3.33Å; I898-S900 PolarHBondContact O-N 3.2Å; I898-I901 PolarHBondContact O-N 3.48Å; I898-W902 PolarHBondContact O-N 3.41Å; I898-F1085 HydrophobicContact CG2-CD1 4.28Å; I898-F1085 HydrophobicContact CG2-CE1 3.39Å; I898-F1085 HydrophobicContact CG2-CZ 3.83Å
899	I	91	Very high	89.5	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-40.5	176.9	-67.1	171.5	0	0	0	110.6	A840 F841 F844 I895 L896 C897 W902 H903	A840-I899 HydrophobicContact CB-CD1 3.65Å; A840-I899 HydrophobicContact CB-CG2 4.41Å; F841-I899 HydrophobicContact CE1-CD1 4.24Å; F841-I899 HydrophobicContact CZ-CD1 4.39Å; F844-I899 HydrophobicContact CE2-CG2 3.81Å; F844-I899 HydrophobicContact CZ-CG2 4.07Å; I895-I899 HydrophobicContact CG2-CD1 3.75Å; I895-I899 HydrophobicContact CG2-CG1 4.35Å; I895-I899 WeakPolarHBondContact O-CG1 3.39Å; I895-I899 PolarHBondContact O-N 3.34Å; L896-I899 PolarHBondContact O-N 3.19Å; C897-I899 PolarHBondContact O-N 3.49Å; I899-W902 WeakPolarHBondContact O-CB 3.2Å; I899-W902 PolarHBondContact O-N 3.13Å; I899-H903 PolarHBondContact O-CD2 2.85Å; I899-H903 PolarHBondContact O-N 3.44Å
900	S	91.4	Very high	88.2	Confident	10 Å²	10	47 Å²	47	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-36.5	176.1	-167.2	0	0	0	0	113	L896 C897 I898 A904	L896-S900 WeakPolarHBondContact O-CB 3.32Å; L896-S900 PolarHBondContact O-N 2.97Å; C897-S900 PolarHBondContact O-N 2.61Å; I898-S900 VanDerWaalsContact C-N 3.33Å; I898-S900 PolarHBondContact O-N 3.2Å; S900-A904 PolarHBondContact O-N 3.07Å
901	I	91.7	Very high	86.7	Confident	109 Å²	109	49 Å²	49	56%	0.559	27%	0.269	S	S	*	.	H	α-helix	trans	-66.5	-42.5	173.7	-69.8	162.4	0	0	0	110	C897 I898 H903 A904 V905	C897-I901 VanDerWaalsContact O-CG1 3.25Å; C897-I901 WeakPolarHBondContact O-CG1 3.33Å; C897-I901 PolarHBondContact O-N 2.84Å; I898-I901 PolarHBondContact O-N 3.48Å; I901-H903 PolarHBondContact O-N 3.08Å; I901-A904 WeakPolarHBondContact O-CB 3.04Å; I901-A904 PolarHBondContact O-N 2.96Å; I901-V905 HydrophobicContact CG2-CG2 4.41Å; I901-V905 WeakPolarHBondContact O-CG2 3.23Å; I901-V905 PolarHBondContact O-N 3.23Å
902	W	90	Very high	84.9	Confident	49 Å²	49	52.2 Å²	52.2	19%	0.186	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-49	174.4	174.8	-99	0	0	0	111.8	F844 I898 I899 A904 V905 V906 I1077 V1081 F1085	F844-W902 AromaticContact CE1-CD1 3.66Å; F844-W902 AromaticContact CE1-NE1 3.84Å; I898-W902 PolarHBondContact O-N 3.41Å; I899-W902 WeakPolarHBondContact O-CB 3.2Å; I899-W902 PolarHBondContact O-N 3.13Å; W902-A904 VanDerWaalsContact C-N 3.29Å; W902-A904 PolarHBondContact O-N 3.07Å; W902-V905 PolarHBondContact O-N 2.74Å; W902-V905 VanDerWaalsContact O-N 3.16Å; W902-V906 HydrophobicContact CD2-CG2 4.27Å; W902-V906 HydrophobicContact CH2-CG2 4.49Å; W902-V906 HydrophobicContact CZ2-CG2 3.69Å; W902-V906 WeakPolarHBondContact O-CG2 3.27Å; W902-V906 PolarHBondContact O-N 3.24Å; W902-I1077 HydrophobicContact CH2-CG2 4.02Å; W902-I1077 HydrophobicContact CZ2-CG2 4.35Å; W902-V1081 HydrophobicContact CD2-CG1 3.68Å; W902-V1081 HydrophobicContact CE3-CG1 3.95Å; W902-V1081 HydrophobicContact CG-CG1 4.29Å; W902-V1081 HydrophobicContact CH2-CB 4.18Å; W902-V1081 HydrophobicContact CH2-CG1 4.04Å; W902-V1081 HydrophobicContact CH2-CG2 3.67Å; W902-V1081 HydrophobicContact CZ2-CB 3.92Å; W902-V1081 HydrophobicContact CZ2-CG1 3.75Å; W902-V1081 HydrophobicContact CZ2-CG2 3.92Å; W902-V1081 HydrophobicContact CZ3-CG1 4.11Å; W902-V1081 HydrophobicContact CZ3-CG2 4.11Å; W902-F1085 HydrophobicContact CB-CE2 3.83Å; W902-F1085 HydrophobicContact CB-CZ 4.05Å; W902-F1085 HydrophobicContact CD2-CE2 4.12Å; W902-F1085 AromaticContact CG-CE2 3.73Å; W902-F1085 HydrophobicContact CG-CE2 3.73Å; W902-F1085 HydrophobicContact CG-CZ 4.32Å
903	H	88.5	Confident	83.1	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-58.2	-42.3	176.2	-73.7	-56	0	0	0	112	T843 L855 S858 I899 I901 V906 T907	T843-H903 PolarHBondContact OG1-CE1 2.86Å; T843-H903 PolarHBondContact OG1-NE2 2.86Å; L855-H903 HydrophobicContact CD2-CB 3.93Å; S858-H903 PolarHBondContact OG-CD2 3.34Å; I899-H903 PolarHBondContact O-CD2 2.85Å; I899-H903 PolarHBondContact O-N 3.44Å; I901-H903 PolarHBondContact O-N 3.08Å; H903-V906 PolarHBondContact O-N 2.69Å; H903-T907 WeakPolarHBondContact O-CG2 3.27Å; H903-T907 PolarHBondContact O-N 2.89Å
904	A	88	Confident	81.1	Confident	33 Å²	33	63.2 Å²	63.2	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-44.6	175.2	0	0	0	0	0	112.4	L855 S900 I901 W902 V906 T907 L908	L855-A904 HydrophobicContact CD2-CB 4.16Å; S900-A904 PolarHBondContact O-N 3.07Å; I901-A904 WeakPolarHBondContact O-CB 3.04Å; I901-A904 PolarHBondContact O-N 2.96Å; W902-A904 VanDerWaalsContact C-N 3.29Å; W902-A904 PolarHBondContact O-N 3.07Å; A904-V906 VanDerWaalsContact C-N 3.34Å; A904-V906 PolarHBondContact O-N 3.12Å; A904-T907 WeakPolarHBondContact O-CA 3.4Å; A904-T907 WeakPolarHBondContact O-CB 3.26Å; A904-T907 PolarHBondContact O-N 2.96Å; A904-T907 PolarHBondContact O-OG1 3.26Å; A904-L908 VanDerWaalsContact O-CD1 3.24Å; A904-L908 WeakPolarHBondContact O-CD1 3.3Å; A904-L908 PolarHBondContact O-N 2.91Å; A904-L908 VanDerWaalsContact O-N 3.11Å
905	V	86.8	Confident	78.8	Confident	63 Å²	63	63.6 Å²	63.6	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-41.4	176.4	170.7	0	0	0	0	111.7	I901 W902 T907 L908 I909	I901-V905 HydrophobicContact CG2-CG2 4.41Å; I901-V905 WeakPolarHBondContact O-CG2 3.23Å; I901-V905 PolarHBondContact O-N 3.23Å; W902-V905 PolarHBondContact O-N 2.74Å; W902-V905 VanDerWaalsContact O-N 3.16Å; V905-T907 VanDerWaalsContact C-N 3.27Å; V905-T907 PolarHBondContact O-N 3Å; V905-L908 PolarHBondContact O-N 2.95Å; V905-I909 HydrophobicContact CG1-CD1 3.85Å; V905-I909 WeakPolarHBondContact O-CG1 3.34Å; V905-I909 PolarHBondContact O-N 3.48Å; V905-I909 VanDerWaalsContact O-N 3.09Å
906	V	83.1	Confident	76.8	Confident	18 Å²	18	68.4 Å²	68.4	11%	0.109	38%	0.381	C	S	.	.	H	α-helix	trans	-61.1	-36.6	172.9	173.8	0	0	0	0	111.3	W902 H903 A904 G910	W902-V906 HydrophobicContact CD2-CG2 4.27Å; W902-V906 HydrophobicContact CH2-CG2 4.49Å; W902-V906 HydrophobicContact CZ2-CG2 3.69Å; W902-V906 WeakPolarHBondContact O-CG2 3.27Å; W902-V906 PolarHBondContact O-N 3.24Å; H903-V906 PolarHBondContact O-N 2.69Å; A904-V906 VanDerWaalsContact C-N 3.34Å; A904-V906 PolarHBondContact O-N 3.12Å; V906-G910 PolarHBondContact O-N 3.06Å
907	T	80.9	Confident	74.6	Confident	26 Å²	26	76 Å²	76	16%	0.16	42%	0.421	C	S	.	.	H	α-helix	trans	-65.2	-36.8	175.1	75.2	0	0	0	0	113.1	A851 L855 H903 A904 V905 G910 L911	A851-T907 HydrophobicContact CB-CG2 3.51Å; L855-T907 HydrophobicContact CD1-CG2 3.68Å; L855-T907 HydrophobicContact CG-CG2 4.16Å; H903-T907 WeakPolarHBondContact O-CG2 3.27Å; H903-T907 PolarHBondContact O-N 2.89Å; A904-T907 WeakPolarHBondContact O-CA 3.4Å; A904-T907 WeakPolarHBondContact O-CB 3.26Å; A904-T907 PolarHBondContact O-N 2.96Å; A904-T907 PolarHBondContact O-OG1 3.26Å; V905-T907 VanDerWaalsContact C-N 3.27Å; V905-T907 PolarHBondContact O-N 3Å; T907-G910 PolarHBondContact O-N 3.32Å; T907-L911 WeakPolarHBondContact O-CG 3.47Å; T907-L911 PolarHBondContact O-N 3.46Å
908	L	81.6	Confident	72.4	Confident	109 Å²	109	78.7 Å²	78.7	57%	0.571	44%	0.441	S	S	*	.	H	α-helix	trans	-67.2	-47.9	176.7	-88.7	73.8	0	0	0	111.1	A904 V905 G910 L911 D912	A904-L908 VanDerWaalsContact O-CD1 3.24Å; A904-L908 WeakPolarHBondContact O-CD1 3.3Å; A904-L908 PolarHBondContact O-N 2.91Å; A904-L908 VanDerWaalsContact O-N 3.11Å; V905-L908 PolarHBondContact O-N 2.95Å; L908-G910 PolarHBondContact O-N 2.93Å; L908-L911 PolarHBondContact O-N 3.42Å; L908-D912 PolarHBondContact O-N 3.43Å
909	I	77.3	Confident	70	Confident	98 Å²	98	81.6 Å²	81.6	50%	0.503	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-32.6	178.9	-63	166.4	0	0	0	111.2	V905	V905-I909 HydrophobicContact CG1-CD1 3.85Å; V905-I909 WeakPolarHBondContact O-CG1 3.34Å; V905-I909 PolarHBondContact O-N 3.48Å; V905-I909 VanDerWaalsContact O-N 3.09Å
910	G	67.1	Low	67.7	Low	40 Å²	40	85.1 Å²	85.1	41%	0.412	50%	0.501	S	S	.	.	H	α-helix	trans	-66.9	-36.7	173.6	0	0	0	0	0	113.8	V906 T907 L908 F913	V906-G910 PolarHBondContact O-N 3.06Å; T907-G910 PolarHBondContact O-N 3.32Å; L908-G910 PolarHBondContact O-N 2.93Å; G910-F913 WeakPolarHBondContact O-CB 3.05Å; G910-F913 PolarHBondContact O-N 3.01Å
911	L	59.8	Low	64.9	Low	116 Å²	116	94.8 Å²	94.8	61%	0.607	54%	0.542	S	S	*	.	H	α-helix	trans	-71.4	-31.7	-179.6	-72.9	168.5	0	0	0	113.1	T907 L908 F913 D914	T907-L911 WeakPolarHBondContact O-CG 3.47Å; T907-L911 PolarHBondContact O-N 3.46Å; L908-L911 PolarHBondContact O-N 3.42Å; L911-F913 PolarHBondContact O-N 3.15Å; L911-D914 PolarHBondContact O-N 3.22Å
912	D	55.9	Low	62.4	Low	126 Å²	126	93.3 Å²	93.3	67%	0.674	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-17.1	175.4	-70.9	-29.1	0	0	0	112.7	L908	L908-D912 PolarHBondContact O-N 3.43Å
913	F	53.8	Low	59.9	Low	118 Å²	118	96.1 Å²	96.1	52%	0.518	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	-12.8	-179.2	-147.1	-93.7	0	0	0	114.2	G910 L911 A1067 D1070	G910-F913 WeakPolarHBondContact O-CB 3.05Å; G910-F913 PolarHBondContact O-N 3.01Å; L911-F913 PolarHBondContact O-N 3.15Å; F913-A1067 HydrophobicContact CE1-CB 3.96Å; F913-A1067 HydrophobicContact CZ-CB 4.35Å; F913-D1070 HydrophobicContact CE2-CB 3.74Å; F913-D1070 WeakPolarHBondContact CE2-OD2 3.42Å; F913-D1070 HydrophobicContact CZ-CB 3.83Å; F913-D1070 WeakPolarHBondContact CZ-OD2 3.44Å
914	D	51.9	Low	57.5	Low	135 Å²	135	101.7 Å²	101.7	72%	0.722	62%	0.62	S	S	*	*	S	Bend	trans	-100	11.4	-173.2	-85.2	-30.1	0	0	0	114.3	L911 P916	L911-D914 PolarHBondContact O-N 3.22Å; D914-P916 WeakPolarHBondContact O-CD 3.45Å
915	L	45.3	Very low	55.2	Low	141 Å²	141	108 Å²	108	74%	0.738	65%	0.648	S	S	*	*			trans	-90.8	113.9	174.5	-71.7	174.8	0	0	0	111.6
916	P	48.7	Very low	53	Low	119 Å²	119	111.1 Å²	111.1	77%	0.773	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-77.7	135	177.2	30.8	-33.9	0	0	0	112.1	D914	D914-P916 WeakPolarHBondContact O-CD 3.45Å
917	D	48.8	Very low	50.9	Low	164 Å²	164	113.5 Å²	113.5	88%	0.877	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-55.6	136.6	175.1	-71.3	-50.8	0	0	0	112.8
918	S	45.6	Very low	48.9	Very low	111 Å²	111	117.7 Å²	117.7	78%	0.776	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-71.7	136.9	177.9	-172.1	0	0	0	0	111.7	G920	S918-G920 PolarHBondContact O-N 3.4Å
919	P	43.6	Very low	46.8	Very low	122 Å²	122	118.2 Å²	118.2	79%	0.792	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-71.1	119.3	-177.9	28.3	-33.9	0	0	0	111.9
920	G	41.8	Very low	44.8	Very low	78 Å²	78	119 Å²	119	80%	0.804	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-64.2	134.3	179.7	0	0	0	0	0	113.9	S918	S918-G920 PolarHBondContact O-N 3.4Å
921	F	33	Very low	43.2	Very low	213 Å²	213	122.2 Å²	122.2	93%	0.934	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-77.1	120.5	174.7	-167.8	-92.6	0	0	0	110
922	G	39.3	Very low	42.1	Very low	78 Å²	78	122.6 Å²	122.6	80%	0.804	76%	0.764	S	S	*	*			trans	-160.9	104.3	-176.5	0	0	0	0	0	113.4
923	S	36.4	Very low	41.2	Very low	108 Å²	108	122.9 Å²	122.9	76%	0.755	77%	0.771	S	S	*	*			trans	-92.8	137.9	-174.9	54.5	0	0	0	0	114.3
924	S	39.8	Very low	40.4	Very low	119 Å²	119	120.9 Å²	120.9	83%	0.832	78%	0.777	S	S	*	*			trans	-167.5	136.6	146.1	53.5	0	0	0	0	113.3
925	L	38.5	Very low	39.7	Very low	166 Å²	166	120.4 Å²	120.4	87%	0.869	78%	0.779	S	S	*	*			trans	-61.3	152.8	176.5	-92.4	60.3	0	0	0	113.8
926	P	40.4	Very low	39.4	Very low	129 Å²	129	119 Å²	119	84%	0.838	78%	0.78	S	S	*	*			trans	-86.4	138.2	157.1	34.7	-29.5	0	0	0	111.1
927	G	38.6	Very low	38.8	Very low	67 Å²	67	117.7 Å²	117.7	69%	0.691	78%	0.78	S	S	*	*			trans	-129.6	150	174.5	0	0	0	0	0	112.6
928	S	39.3	Very low	38.4	Very low	115 Å²	115	114.9 Å²	114.9	80%	0.804	77%	0.773	S	S	*	*			trans	84	89.5	166.5	68.9	0	0	0	0	121.6
929	T	37.2	Very low	38	Very low	119 Å²	119	117.2 Å²	117.2	73%	0.73	78%	0.775	S	S	*	*				72	126.3	115.8	-20.8	0	0	0	0	122.7
930	T	36	Very low	37.7	Very low	116 Å²	116	116.1 Å²	116.1	71%	0.712	77%	0.771	S	S	*	*			trans	66.9	141.4	143.3	44.1	0	0	0	0	121.7
931	T	33.4	Very low	37.5	Very low	107 Å²	107	118.2 Å²	118.2	66%	0.656	77%	0.773	S	S	*	*			cis	-175.3	152.3	-22.6	13.3	0	0	0	0	108.6
932	T	36.8	Very low	37.8	Very low	123 Å²	123	115.4 Å²	115.4	76%	0.755	77%	0.768	S	S	*	*			trans	60	149.6	150.7	55.1	0	0	0	0	119
933	T	36.6	Very low	37.7	Very low	132 Å²	132	119.8 Å²	119.8	81%	0.81	77%	0.771	S	S	*	*			cis	-173.7	165.7	-3.1	22.2	0	0	0	0	106.4
934	A	37.5	Very low	37.8	Very low	77 Å²	77	121.2 Å²	121.2	64%	0.636	77%	0.771	S	S	*	*			cis	-169.8	-153.2	-12.1	0	0	0	0	0	108.4
935	T	37.8	Very low	37.7	Very low	125 Å²	125	120.3 Å²	120.3	77%	0.767	76%	0.76	S	S	*	*			trans	60.2	102.1	159	57.7	0	0	0	0	118.2
936	S	38.6	Very low	37.6	Very low	110 Å²	110	119.1 Å²	119.1	77%	0.769	76%	0.755	S	S	*	*				83.2	146.3	65.8	69.4	0	0	0	0	114.6
937	A	37	Very low	37.3	Very low	93 Å²	93	118.7 Å²	118.7	77%	0.769	75%	0.75	S	S	*	*			cis	179.1	146.8	-20.4	0	0	0	0	0	108.2
938	S	38.4	Very low	37	Very low	104 Å²	104	121.3 Å²	121.3	73%	0.727	75%	0.752	S	S	*	*			trans	176.1	123.4	147.6	56.4	0	0	0	0	115.7
939	I	37.6	Very low	36.8	Very low	160 Å²	160	122.4 Å²	122.4	82%	0.821	75%	0.749	S	S	*	*				55.2	142.2	122.1	-55.6	168.5	0	0	0	119.3
940	S	37	Very low	36.6	Very low	100 Å²	100	126.1 Å²	126.1	70%	0.699	76%	0.758	S	S	*	*			cis	171.1	140.6	-45.3	56.1	0	0	0	0	109.2
941	S	39.4	Very low	36.4	Very low	121 Å²	121	124.1 Å²	124.1	85%	0.846	76%	0.761	S	S	*	*			trans	177.5	161.3	143.3	40.1	0	0	0	0	112
942	N	38.1	Very low	36.3	Very low	155 Å²	155	125.2 Å²	125.2	83%	0.829	77%	0.77	S	S	*	*			trans	-109	154.6	-155.6	-55.6	-60.2	0	0	0	114.4
943	L	36.8	Very low	35.9	Very low	169 Å²	169	130.4 Å²	130.4	89%	0.885	78%	0.775	S	S	*	*				166.6	156.5	123.7	-87.7	151.4	0	0	0	110.3
944	N	39.1	Very low	35.5	Very low	138 Å²	138	128.8 Å²	128.8	74%	0.738	77%	0.77	S	S	*	*				-159.1	164.7	-58	-170	12.9	0	0	0	108.3
945	V	38	Very low	35.2	Very low	101 Å²	101	135.9 Å²	135.9	61%	0.612	78%	0.782	S	S	*	*			trans	81.9	108.9	159.4	-166.9	0	0	0	0	119.8
946	N	35.5	Very low	34.7	Very low	141 Å²	141	139.7 Å²	139.7	75%	0.754	79%	0.788	S	S	*	*			trans	79.5	84	145.4	-61.8	0.5	0	0	0	122.8
947	T	34	Very low	34.7	Very low	120 Å²	120	139.6 Å²	139.6	74%	0.736	79%	0.785	S	S	*	*				4.3	139.5	114.2	59.7	0	0	0	0	117.7
948	T	34	Very low	34.4	Very low	121 Å²	121	143.3 Å²	143.3	74%	0.742	79%	0.792	S	S	*	*			cis	-153.4	145.3	43	33.2	0	0	0	0	115.2
949	N	33.4	Very low	34	Very low	139 Å²	139	148.8 Å²	148.8	74%	0.743	80%	0.798	S	S	*	*			trans	18	117.4	146.2	-57.1	-10.7	0	0	0	119.7
950	Q	33.6	Very low	33.7	Very low	196 Å²	196	148.6 Å²	148.6	92%	0.916	80%	0.798	S	S	*	*				68.6	126	73.8	-72.4	-167.4	10	0	0	116.4
951	G	31.7	Very low	33.3	Very low	74 Å²	74	153.1 Å²	153.1	76%	0.763	81%	0.805	S	S	*	*			trans	122	98.1	152.1	0	0	0	0	0	116.8
952	P	30.7	Very low	32.9	Very low	130 Å²	130	152.2 Å²	152.2	84%	0.844	80%	0.799	S	S	*	*			trans	-89.3	132.2	172.8	33.9	-30.7	0	0	0	111.9
953	R	30	Very low	32.7	Very low	232 Å²	232	153.2 Å²	153.2	88%	0.875	80%	0.799	S	S	*	*			trans	-155.5	125.6	166.2	-123.2	177.9	-177.3	176.2	-0.7	114.7
954	S	27.6	Very low	32.3	Very low	99 Å²	99	150 Å²	150	69%	0.692	79%	0.791	S	S	*	*			trans	35.5	120.5	142.5	58.8	0	0	0	0	120.7
955	Y	31.3	Very low	32	Very low	226 Å²	226	150.7 Å²	150.7	89%	0.886	79%	0.793	S	S	*	*			trans	-126.7	104.1	156	-91.7	-84.6	0	0	0	111.8
956	F	27.8	Very low	31.7	Very low	205 Å²	205	154 Å²	154	90%	0.899	80%	0.802	S	S	*	*			trans	-94.6	139.8	142.3	-87.7	-88.4	0	0	0	107.3
957	P	37.4	Very low	31.6	Very low	108 Å²	108	152.7 Å²	152.7	70%	0.701	80%	0.803	S	S	*	*			trans	-109.2	101.5	163.8	32.3	-21.3	0	0	0	110.9
958	N	31.6	Very low	31.6	Very low	171 Å²	171	152.9 Å²	152.9	91%	0.914	81%	0.805	S	S	*	*			trans	-77	127	160.7	-110.2	-21.3	0	0	0	108.6
959	Y	28.9	Very low	31.5	Very low	218 Å²	218	154 Å²	154	86%	0.855	81%	0.805	S	S	*	*			trans	-97.4	107.3	178.7	-125.1	-89.8	0	0	0	110.4
960	N	32.1	Very low	31.4	Very low	156 Å²	156	153.3 Å²	153.3	83%	0.834	80%	0.801	S	S	*	*			trans	-151.6	95.6	164.2	-104	-27.5	0	0	0	112
961	K	28	Very low	31.5	Very low	195 Å²	195	152.4 Å²	152.4	85%	0.848	80%	0.797	S	S	*	*				38.3	101.3	126.9	-163	-175.8	-168.6	-177.7	0	119.2
962	S	32.4	Very low	31.5	Very low	103 Å²	103	153.1 Å²	153.1	72%	0.72	79%	0.79	S	S	*	*			trans	177.1	133.2	130.5	54.9	0	0	0	0	113.8
963	E	32.9	Very low	31.6	Very low	175 Å²	175	154.6 Å²	154.6	82%	0.818	79%	0.786	S	S	*	*			trans	44.3	102.1	136.3	-66.9	168.9	-177.1	0	0	118.9
964	S	28.9	Very low	31.8	Very low	102 Å²	102	150.1 Å²	150.1	71%	0.713	77%	0.774	S	S	*	*				79.7	126.5	84.7	74.6	0	0	0	0	115.9
965	I	32.1	Very low	31.9	Very low	153 Å²	153	152 Å²	152	79%	0.785	78%	0.777	S	S	*	*			trans	-167.7	120.8	145.2	-98.7	148.2	0	0	0	112
966	Q	31	Very low	31.8	Very low	171 Å²	171	146 Å²	146	80%	0.799	77%	0.768	S	S	*	*			trans	26.3	123.4	145.4	-57	165.7	-41.4	0	0	123.5
967	S	34.3	Very low	32	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	77%	0.765	S	S	*	*				166.7	141.7	123.9	39.7	0	0	0	0	108.5
968	T	34.9	Very low	31.5	Very low	125 Å²	125	148.1 Å²	148.1	77%	0.767	77%	0.77	S	S	*	*			cis	-158.2	159.9	8.7	8.3	0	0	0	0	110.9
969	L	30.6	Very low	31.4	Very low	144 Å²	144	147.8 Å²	147.8	75%	0.754	77%	0.767	S	S	*	*			trans	74.3	106.3	159	-95.9	77.6	0	0	0	122.2
970	N	31.5	Very low	31.4	Very low	124 Å²	124	140.7 Å²	140.7	66%	0.663	76%	0.76	S	S	*	*				81.7	114.6	125.2	-69.6	0.1	0	0	0	123.8
971	Q	36.3	Very low	31.3	Very low	178 Å²	178	138.1 Å²	138.1	83%	0.832	75%	0.754	S	S	*	*			trans	72.2	137.9	143.8	-61.4	173.7	3.1	0	0	119.6
972	S	30.9	Very low	31.4	Very low	88 Å²	88	136.3 Å²	136.3	62%	0.615	75%	0.754	S	S	*	*			cis	-176.1	138.4	-29.1	47.7	0	0	0	0	109.9
973	H	33.5	Very low	31.1	Very low	162 Å²	162	140 Å²	140	75%	0.75	75%	0.753	S	S	*	*			trans	62.8	147.7	168.6	-60.9	-76.1	0	0	0	117.2
974	H	33.2	Very low	31	Very low	137 Å²	137	142.1 Å²	142.1	63%	0.634	76%	0.76	S	S	*	*			cis	-160	145.4	-5.1	-123.4	-50.7	0	0	0	110
975	N	29.7	Very low	30.9	Very low	139 Å²	139	146.3 Å²	146.3	74%	0.743	77%	0.766	S	S	*	*			trans	64	147.2	147.1	-61.4	-12.3	0	0	0	120.3
976	S	30.4	Very low	30.8	Very low	99 Å²	99	148 Å²	148	69%	0.692	77%	0.77	S	S	*	*			cis	-171.2	159.7	-15.5	-172.8	0	0	0	0	111.2
977	K	31.3	Very low	30.7	Very low	193 Å²	193	145.7 Å²	145.7	84%	0.839	76%	0.763	S	S	*	*			trans	67.7	133.1	171.3	-64.3	174.1	177	178.2	0	118.4
978	M	27.3	Very low	30.6	Very low	166 Å²	166	145.3 Å²	145.3	82%	0.818	76%	0.756	S	S	*	*			cis	97.1	119.4	22.8	-83.2	-76.7	-160.5	0	0	117.7
979	I	30.1	Very low	30.5	Very low	163 Å²	163	143.9 Å²	143.9	84%	0.836	75%	0.751	S	S	*	*			trans	81	130.8	150.5	-58.3	155.7	0	0	0	119.5
980	G	29.2	Very low	30.5	Very low	70 Å²	70	145.7 Å²	145.7	72%	0.722	76%	0.756	S	S	*	*			trans	139.3	83.7	141.3	0	0	0	0	0	119.4
981	S	29	Very low	30.7	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	76%	0.763	S	S	*	*			trans	-36.9	138.1	166.9	52.6	0	0	0	0	119
982	N	29.9	Very low	30.4	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	76%	0.76	S	S	*	*				173.5	156.7	108.7	-90.2	-38.1	0	0	0	115.1
983	Y	26.5	Very low	30.3	Very low	181 Å²	181	148.6 Å²	148.6	71%	0.71	76%	0.763	S	S	*	*			trans	-87.7	143.6	-173.6	-68.8	-93.7	0	0	0	115
984	K	29.7	Very low	30.2	Very low	220 Å²	220	147.5 Å²	147.5	96%	0.957	76%	0.759	S	S	*	*			trans	-157.7	167.3	138	-133.4	172.2	-177.6	176.5	0	112.6
985	F	27.7	Very low	30.1	Very low	190 Å²	190	149 Å²	149	83%	0.833	77%	0.768	S	S	*	*			trans	-128.9	131	-153.7	-158	-81.5	0	0	0	111.8
986	Q	30.1	Very low	30	Very low	189 Å²	189	149.5 Å²	149.5	88%	0.883	77%	0.771	S	S	*	*			trans	171.7	152.1	165	-101.4	161.2	-10.1	0	0	107.6
987	N	29.8	Very low	30.2	Very low	121 Å²	121	150.6 Å²	150.6	65%	0.647	77%	0.773	S	S	*	*			cis	-174.8	172	-32.2	-152.6	7.6	0	0	0	105.7
988	T	31.2	Very low	30.3	Very low	104 Å²	104	146 Å²	146	64%	0.638	77%	0.765	S	S	*	*			trans	67.9	97.6	158.4	45.5	0	0	0	0	123.3
989	S	32.7	Very low	30.5	Very low	95 Å²	95	145.2 Å²	145.2	66%	0.664	76%	0.764	S	S	*	*				79.4	143.2	111.2	71.4	0	0	0	0	125.4
990	Q	31.7	Very low	30.7	Very low	183 Å²	183	143.4 Å²	143.4	86%	0.855	76%	0.76	S	S	*	*			trans	75.1	144.1	169.4	-52	-175.2	-1.7	0	0	114.3
991	I	33.8	Very low	30.8	Very low	159 Å²	159	147.8 Å²	147.8	82%	0.815	77%	0.767	S	S	*	*			cis	-144.5	162.7	40.7	-71.5	166	0	0	0	112.5
992	L	30.3	Very low	30.9	Very low	145 Å²	145	148.2 Å²	148.2	76%	0.759	77%	0.767	S	S	*	*			trans	-39.1	167.1	161.1	-127.4	68.2	0	0	0	114.1
993	E	28.9	Very low	30.9	Very low	146 Å²	146	146 Å²	146	68%	0.682	76%	0.764	S	S	*	*			cis	-177.1	177.3	35	-160.9	176.2	-127.2	0	0	110.9
994	Q	31.6	Very low	31	Very low	140 Å²	140	144.9 Å²	144.9	65%	0.654	77%	0.769	S	S	*	*			trans	96.1	109.1	155.2	-56.5	-161.7	0.4	0	0	122.8
995	M	30.8	Very low	31	Very low	168 Å²	168	143.5 Å²	143.5	83%	0.828	77%	0.766	S	S	*	*			trans	89.9	116.7	135.3	-65.3	176.2	-169	0	0	122.6
996	N	28	Very low	31	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	77%	0.767	S	S	*	*			trans	-66.9	163.4	159.1	-75.2	-34.3	0	0	0	111
997	T	35.2	Very low	30.9	Very low	122 Å²	122	141.7 Å²	141.7	75%	0.748	77%	0.77	S	S	*	*				-177.3	153.2	71	39.4	0	0	0	0	112.1
998	S	33.7	Very low	30.8	Very low	95 Å²	95	141.5 Å²	141.5	66%	0.664	78%	0.778	S	S	*	*			trans	47	144.2	148.6	51.8	0	0	0	0	121.5
999	D	30.7	Very low	30.8	Very low	150 Å²	150	141.8 Å²	141.8	80%	0.802	78%	0.784	S	S	*	*			cis	-168.6	-177.5	0.1	-100.4	-27.3	0	0	0	110
1000	V	34	Very low	30.8	Very low	125 Å²	125	145.3 Å²	145.3	76%	0.758	80%	0.795	S	S	*	*			trans	96.8	88.5	153.8	-164.8	0	0	0	0	120.6
1001	L	30.7	Very low	30.9	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	79%	0.785	S	S	*	*			trans	72.1	150.8	136.7	-89.2	100.2	0	0	0	125.3
1002	P	32.7	Very low	30.7	Very low	110 Å²	110	140.2 Å²	140.2	71%	0.714	79%	0.788	S	S	*	*			trans	-132.6	179.9	-161.5	44.3	-26.7	0	0	0	116.1
1003	S	30.2	Very low	30.7	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	78%	0.782	S	S	*	*			trans	-176.3	162.1	135.9	46.3	0	0	0	0	113.2
1004	L	26.8	Very low	30.7	Very low	157 Å²	157	135.9 Å²	135.9	82%	0.822	79%	0.786	S	S	*	*			trans	65.4	86.9	170.8	-63.7	168.3	0	0	0	118.2
1005	H	30	Very low	30.7	Very low	191 Å²	191	136.3 Å²	136.3	88%	0.884	79%	0.791	S	S	*	*				-174.5	109.1	129.3	-103.4	-72.1	0	0	0	110
1006	N	28.4	Very low	30.5	Very low	162 Å²	162	136.4 Å²	136.4	87%	0.866	79%	0.794	S	S	*	*			trans	-167.8	101.4	163.8	-118.8	-15.7	0	0	0	111
1007	L	26.8	Very low	30.8	Very low	180 Å²	180	134.7 Å²	134.7	94%	0.942	79%	0.794	S	S	*	*			trans	-165.4	76.8	172	-118.4	150.1	0	0	0	111
1008	S	29	Very low	30.6	Very low	117 Å²	117	135.2 Å²	135.2	82%	0.818	80%	0.797	S	S	*	*			trans	-159.2	65.7	168.3	64.6	0	0	0	0	112.4
1009	S	31.1	Very low	30.5	Very low	109 Å²	109	136 Å²	136	76%	0.762	80%	0.8	S	S	*	*			trans	-156	155.3	160.2	60.5	0	0	0	0	110.8
1010	L	33.2	Very low	30.4	Very low	169 Å²	169	133.4 Å²	133.4	89%	0.885	79%	0.794	S	S	*	*			trans	88.5	149.6	176.4	-58	165.5	0	0	0	116.9
1011	P	32	Very low	30.4	Very low	100 Å²	100	136.7 Å²	136.7	65%	0.649	80%	0.803	S	S	*	*			trans	-104.7	164.7	-142.3	39.6	-36.2	0	0	0	115.1	S1013	P1011-S1013 PolarHBondContact O-N 3.18Å
1012	P	30.3	Very low	30.4	Very low	136 Å²	136	138.1 Å²	138.1	88%	0.883	80%	0.798	S	S	*	*			trans	-84.2	91.6	-178.5	33.8	-34.2	0	0	0	112.7
1013	S	30.7	Very low	30.2	Very low	91 Å²	91	138 Å²	138	64%	0.636	79%	0.792	S	S	*	*			trans	-159.7	124.1	162.1	58.7	0	0	0	0	115	P1011	P1011-S1013 PolarHBondContact O-N 3.18Å
1014	S	28.8	Very low	30.4	Very low	109 Å²	109	140 Å²	140	76%	0.762	79%	0.794	S	S	*	*			trans	74.7	157.3	160.5	76.9	0	0	0	0	119.8
1015	I	31.6	Very low	30.6	Very low	149 Å²	149	140.9 Å²	140.9	76%	0.764	80%	0.798	S	S	*	*			trans	76.2	106.7	-179.8	-47.1	166.2	0	0	0	112.3
1016	L	27.1	Very low	30.6	Very low	170 Å²	170	139.6 Å²	139.6	89%	0.89	80%	0.797	S	S	*	*			cis	69.9	75.7	33.3	-162.2	82.9	0	0	0	115.5
1017	S	33.4	Very low	30.7	Very low	113 Å²	113	139.4 Å²	139.4	79%	0.79	79%	0.791	S	S	*	*			trans	-167.6	130.4	144	47.8	0	0	0	0	112.4
1018	T	30.7	Very low	30.9	Very low	134 Å²	134	138.4 Å²	138.4	82%	0.822	79%	0.787	S	S	*	*			trans	-78.8	159.6	168.4	53.8	0	0	0	0	110.5
1019	P	33.2	Very low	30.9	Very low	112 Å²	112	140.3 Å²	140.3	73%	0.727	79%	0.787	S	S	*	*				-151.2	145.9	89.3	41.4	-23.7	0	0	0	118
1020	S	28.6	Very low	30.8	Very low	95 Å²	95	140 Å²	140	66%	0.664	79%	0.786	S	S	*	*			trans	59.7	104.5	130.6	70.8	0	0	0	0	123.7
1021	M	32.9	Very low	30.6	Very low	194 Å²	194	141 Å²	141	96%	0.956	78%	0.783	S	S	*	*				-150.9	76.9	126.5	-89.3	-162.7	174.6	0	0	106.7
1022	Y	29.8	Very low	30.5	Very low	193 Å²	193	142.4 Å²	142.4	76%	0.757	79%	0.79	S	S	*	*				64.1	98	89.1	-131.4	-103.4	0	0	0	114.9
1023	N	30.3	Very low	30.3	Very low	108 Å²	108	141 Å²	141	58%	0.578	78%	0.783	S	S	*	*			trans	60	106.3	147.4	-59.8	7.8	0	0	0	120.1
1024	N	32.9	Very low	30.2	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	80%	0.795	S	S	*	*				175.5	95.8	100	-86.7	-29.2	0	0	0	112.6
1025	L	31.7	Very low	30.2	Very low	175 Å²	175	144 Å²	144	92%	0.916	79%	0.79	S	S	*	*				-178.9	101.2	125.8	-122.1	68.4	0	0	0	108.4
1026	L	29.8	Very low	30.2	Very low	164 Å²	164	145.7 Å²	145.7	86%	0.859	79%	0.792	S	S	*	*			trans	-83.2	174.6	170.7	-140.9	93.9	0	0	0	109.7
1027	Q	31.2	Very low	30.4	Very low	159 Å²	159	142.6 Å²	142.6	74%	0.743	78%	0.78	S	S	*	*			trans	82.6	82.2	152.1	-138.8	159.8	19.7	0	0	116.8
1028	N	30.5	Very low	30.3	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	79%	0.786	S	S	*	*				-162.3	117	104.5	-91.5	-23.2	0	0	0	111.4
1029	D	28.5	Very low	30.6	Very low	156 Å²	156	142.9 Å²	142.9	83%	0.834	78%	0.775	S	S	*	*			trans	-74.3	145.4	173	-63.9	-68.9	0	0	0	111.8
1030	S	29.7	Very low	30.7	Very low	104 Å²	104	142.5 Å²	142.5	73%	0.727	77%	0.77	S	S	*	*				170.9	163.6	125.9	46.7	0	0	0	0	112.6
1031	F	29.2	Very low	30.9	Very low	189 Å²	189	145.3 Å²	145.3	83%	0.829	78%	0.775	S	S	*	*			trans	75.4	75.2	174.6	-70.9	-81.5	0	0	0	118.4
1032	T	28.6	Very low	31.3	Very low	130 Å²	130	140.1 Å²	140.1	80%	0.798	75%	0.754	S	S	*	*			trans	-51.4	159.9	135.4	42.5	0	0	0	0	112.6
1033	S	27.5	Very low	32	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	74%	0.741	S	S	*	*			trans	74.5	97	178	76.9	0	0	0	0	117.2
1034	L	28.4	Very low	32.7	Very low	171 Å²	171	132.8 Å²	132.8	90%	0.895	73%	0.734	S	S	*	*				-153.8	139.5	111	-141.4	68.6	0	0	0	111.7
1035	S	28.3	Very low	33.4	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	71%	0.714	S	S	*	*			trans	-84.1	161.7	165.3	52.1	0	0	0	0	110
1036	K	31.5	Very low	34.1	Very low	185 Å²	185	123.8 Å²	123.8	80%	0.804	69%	0.688	S	S	*	*			trans	95.6	142.4	171.4	-52.7	169.1	-179.1	178.9	0	117
1037	T	31.9	Very low	35.1	Very low	105 Å²	105	122.4 Å²	122.4	64%	0.644	68%	0.678	S	S	*	*			trans	84.5	127.1	164.3	74.1	0	0	0	0	119.4	L1039	T1037-L1039 PolarHBondContact O-N 2.81Å
1038	P	31.5	Very low	36.2	Very low	140 Å²	140	118.8 Å²	118.8	91%	0.909	67%	0.666	S	S	*	*	S	Bend	trans	-86.5	72.3	172	36.3	-33.6	0	0	0	110.7
1039	L	36.2	Very low	37.2	Very low	113 Å²	113	114.1 Å²	114.1	59%	0.592	64%	0.638	S	S	*	*			trans	-115.8	-9.7	176.3	-95.2	164.5	0	0	0	114.3	T1037 M1041 T1042	T1037-L1039 PolarHBondContact O-N 2.81Å; L1039-M1041 PolarHBondContact O-N 2.92Å; L1039-T1042 PolarHBondContact O-N 3.26Å; L1039-T1042 PolarHBondContact O-OG1 3.34Å
1040	V	35.8	Very low	38.5	Very low	105 Å²	105	110.3 Å²	110.3	64%	0.636	62%	0.618	S	S	*	*	H	α-helix	trans	-71.7	-32.8	-172.5	-176.3	0	0	0	0	113.6	T1042 T1043 T1044	V1040-T1042 VanDerWaalsContact C-N 3.27Å; V1040-T1042 PolarHBondContact O-N 2.94Å; V1040-T1043 PolarHBondContact O-N 3.42Å; V1040-T1043 VanDerWaalsContact O-N 3.17Å; V1040-T1043 PolarHBondContact O-OG1 2.89Å; V1040-T1043 VanDerWaalsContact O-OG1 3.06Å; V1040-T1044 PolarHBondContact O-N 2.92Å; V1040-T1044 PolarHBondContact O-OG1 3.41Å
1041	M	33.6	Very low	39.8	Very low	154 Å²	154	108.4 Å²	108.4	76%	0.759	61%	0.605	S	S	*	*	H	α-helix	trans	-61	-33.3	177.7	-90.8	-105.7	-92.7	0	0	113	L1039 T1044 V1045	L1039-M1041 PolarHBondContact O-N 2.92Å; M1041-T1044 PolarHBondContact O-OG1 3.47Å; M1041-V1045 WeakPolarHBondContact O-CB 3.47Å; M1041-V1045 VanDerWaalsContact O-CG2 3.24Å; M1041-V1045 WeakPolarHBondContact O-CG2 3.42Å; M1041-V1045 PolarHBondContact O-N 3.45Å; M1041-V1045 VanDerWaalsContact O-N 3.13Å
1042	T	40.8	Very low	40.8	Very low	84 Å²	84	104.2 Å²	104.2	52%	0.515	59%	0.591	S	S	.	*	H	α-helix	trans	-70.5	-32.5	178.1	58.7	0	0	0	0	112.4	L1039 V1040 N1046	L1039-T1042 PolarHBondContact O-N 3.26Å; L1039-T1042 PolarHBondContact O-OG1 3.34Å; V1040-T1042 VanDerWaalsContact C-N 3.27Å; V1040-T1042 PolarHBondContact O-N 2.94Å; T1042-N1046 WeakPolarHBondContact O-CB 3.35Å; T1042-N1046 PolarHBondContact O-N 2.87Å; T1042-N1046 VanDerWaalsContact O-N 3.07Å
1043	T	44.4	Very low	41.9	Very low	78 Å²	78	99.9 Å²	99.9	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-74.7	-44.6	179.7	8	0	0	0	0	112.1	V1040 N1046 Q1047	V1040-T1043 PolarHBondContact O-N 3.42Å; V1040-T1043 VanDerWaalsContact O-N 3.17Å; V1040-T1043 PolarHBondContact O-OG1 2.89Å; V1040-T1043 VanDerWaalsContact O-OG1 3.06Å; T1043-N1046 PolarHBondContact O-N 3.17Å; T1043-Q1047 WeakPolarHBondContact O-CG 3.39Å; T1043-Q1047 PolarHBondContact O-N 3.38Å
1044	T	44.4	Very low	42.9	Very low	70 Å²	70	102.7 Å²	102.7	43%	0.429	56%	0.561	S	S	.	*	H	α-helix	trans	-65.7	-44.6	175.9	37.7	0	0	0	0	112	V1040 M1041 N1046 Q1047 T1048	V1040-T1044 PolarHBondContact O-N 2.92Å; V1040-T1044 PolarHBondContact O-OG1 3.41Å; M1041-T1044 PolarHBondContact O-OG1 3.47Å; T1044-N1046 VanDerWaalsContact C-N 3.33Å; T1044-N1046 PolarHBondContact O-N 2.92Å; T1044-Q1047 PolarHBondContact O-N 3.43Å; T1044-T1048 PolarHBondContact O-N 3.45Å; T1044-T1048 PolarHBondContact O-OG1 2.84Å
1045	V	47.7	Very low	44.1	Very low	65 Å²	65	101.8 Å²	101.8	39%	0.394	55%	0.553	S	S	.	*	H	α-helix	trans	-60.9	-42	175.8	172.5	0	0	0	0	111.4	M1041 Q1047 T1048 F1049 F1082	M1041-V1045 WeakPolarHBondContact O-CB 3.47Å; M1041-V1045 VanDerWaalsContact O-CG2 3.24Å; M1041-V1045 WeakPolarHBondContact O-CG2 3.42Å; M1041-V1045 PolarHBondContact O-N 3.45Å; M1041-V1045 VanDerWaalsContact O-N 3.13Å; V1045-Q1047 PolarHBondContact O-N 3.04Å; V1045-T1048 PolarHBondContact O-N 3.08Å; V1045-F1049 WeakPolarHBondContact O-CB 3.4Å; V1045-F1049 PolarHBondContact O-N 3.11Å; V1045-F1082 HydrophobicContact CG1-CE1 4.19Å
1046	N	46.4	Very low	45	Very low	71 Å²	71	101.7 Å²	101.7	38%	0.38	54%	0.542	S	S	.	.	H	α-helix	trans	-67.6	-34.4	178.4	-158.8	12	0	0	0	111.8	T1042 T1043 T1044 N1050 K1079	T1042-N1046 WeakPolarHBondContact O-CB 3.35Å; T1042-N1046 PolarHBondContact O-N 2.87Å; T1042-N1046 VanDerWaalsContact O-N 3.07Å; T1043-N1046 PolarHBondContact O-N 3.17Å; T1044-N1046 VanDerWaalsContact C-N 3.33Å; T1044-N1046 PolarHBondContact O-N 2.92Å; N1046-N1050 WeakPolarHBondContact O-CB 3.38Å; N1046-N1050 PolarHBondContact O-N 3.05Å; N1046-N1050 PolarHBondContact O-ND2 2.97Å; N1046-N1050 PolarHBondContact O-OD1 3.33Å; N1046-N1050 PolarHBondContact OD1-ND2 3.4Å; N1046-K1079 WeakPolarHBondContact OD1-CE 3.15Å; N1046-K1079 PolarHBondContact OD1-NZ 2.93Å
1047	Q	51.8	Low	45.8	Very low	136 Å²	136	96.4 Å²	96.4	64%	0.636	52%	0.523	S	S	*	.	H	α-helix	trans	-67.2	-49.5	173.6	-76.1	176	-12.9	0	0	112.3	T1043 T1044 V1045 F1049 N1050 S1051	T1043-Q1047 WeakPolarHBondContact O-CG 3.39Å; T1043-Q1047 PolarHBondContact O-N 3.38Å; T1044-Q1047 PolarHBondContact O-N 3.43Å; V1045-Q1047 PolarHBondContact O-N 3.04Å; Q1047-F1049 VanDerWaalsContact C-N 3.35Å; Q1047-F1049 PolarHBondContact O-N 3.27Å; Q1047-N1050 PolarHBondContact O-N 3.47Å; Q1047-S1051 PolarHBondContact O-N 3.36Å; Q1047-S1051 PolarHBondContact O-OG 2.91Å
1048	T	54.4	Low	46.6	Very low	82 Å²	82	98.8 Å²	98.8	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-66	-36.6	178.9	-43.3	0	0	0	0	112.2	T1044 V1045 S1051 L1052	T1044-T1048 PolarHBondContact O-N 3.45Å; T1044-T1048 PolarHBondContact O-OG1 2.84Å; V1045-T1048 PolarHBondContact O-N 3.08Å; T1048-S1051 WeakPolarHBondContact CA-OG 3.16Å; T1048-S1051 PolarHBondContact O-N 2.89Å; T1048-S1051 PolarHBondContact O-OG 3.26Å; T1048-L1052 HydrophobicContact CG2-CD1 4.41Å; T1048-L1052 WeakPolarHBondContact O-CG 3.37Å; T1048-L1052 PolarHBondContact O-N 3.08Å
1049	F	50.2	Low	47.3	Very low	61 Å²	61	95.2 Å²	95.2	27%	0.268	52%	0.52	S	S	.	.	H	α-helix	trans	-67.8	-40.9	174.6	-167.6	-104	0	0	0	111.5	V1045 Q1047 S1051 L1052 L1053 K1079	V1045-F1049 WeakPolarHBondContact O-CB 3.4Å; V1045-F1049 PolarHBondContact O-N 3.11Å; Q1047-F1049 VanDerWaalsContact C-N 3.35Å; Q1047-F1049 PolarHBondContact O-N 3.27Å; F1049-S1051 VanDerWaalsContact C-N 3.33Å; F1049-S1051 PolarHBondContact O-N 3.49Å; F1049-L1052 PolarHBondContact O-N 3.04Å; F1049-L1053 HydrophobicContact CD1-CD1 3.65Å; F1049-L1053 HydrophobicContact CD1-CG 4.21Å; F1049-L1053 HydrophobicContact CE1-CD1 3.51Å; F1049-L1053 HydrophobicContact CE1-CG 4.07Å; F1049-L1053 HydrophobicContact CZ-CD1 4.38Å; F1049-L1053 WeakPolarHBondContact O-CB 3.24Å; F1049-L1053 WeakPolarHBondContact O-CG 3.44Å; F1049-L1053 PolarHBondContact O-N 3.22Å; F1049-K1079 HydrophobicContact CD1-CD 4.16Å; F1049-K1079 HydrophobicContact CD1-CG 4.43Å; F1049-K1079 HydrophobicContact CE1-CB 4.11Å; F1049-K1079 HydrophobicContact CE1-CD 3.85Å; F1049-K1079 HydrophobicContact CE1-CG 3.87Å
1050	N	56.5	Low	47.9	Very low	76 Å²	76	93 Å²	93	41%	0.406	51%	0.514	S	S	.	.	H	α-helix	trans	-68.2	-28.6	175.9	-69.1	-18.8	0	0	0	112.7	N1046 Q1047 K1054 K1079	N1046-N1050 WeakPolarHBondContact O-CB 3.38Å; N1046-N1050 PolarHBondContact O-N 3.05Å; N1046-N1050 PolarHBondContact O-ND2 2.97Å; N1046-N1050 PolarHBondContact O-OD1 3.33Å; N1046-N1050 PolarHBondContact OD1-ND2 3.4Å; Q1047-N1050 PolarHBondContact O-N 3.47Å; N1050-K1054 PolarHBondContact O-N 3.46Å; N1050-K1079 PolarHBondContact OD1-NZ 3.4Å
1051	S	56.3	Low	48.2	Very low	65 Å²	65	92.2 Å²	92.2	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-73.8	-42.4	172.1	59.9	0	0	0	0	112.3	Q1047 T1048 F1049 L1053 K1054 E1055	Q1047-S1051 PolarHBondContact O-N 3.36Å; Q1047-S1051 PolarHBondContact O-OG 2.91Å; T1048-S1051 WeakPolarHBondContact CA-OG 3.16Å; T1048-S1051 PolarHBondContact O-N 2.89Å; T1048-S1051 PolarHBondContact O-OG 3.26Å; F1049-S1051 VanDerWaalsContact C-N 3.33Å; F1049-S1051 PolarHBondContact O-N 3.49Å; S1051-L1053 PolarHBondContact O-N 3.48Å; S1051-K1054 WeakPolarHBondContact O-CA 3.19Å; S1051-K1054 VanDerWaalsContact O-CB 3.32Å; S1051-K1054 WeakPolarHBondContact O-CB 3.43Å; S1051-K1054 PolarHBondContact O-N 3.19Å; S1051-E1055 PolarHBondContact O-N 3.08Å
1052	L	51.1	Low	48.8	Very low	101 Å²	101	95.7 Å²	95.7	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-40.4	175.3	-73	167.3	0	0	0	112.2	T1048 F1049 K1054 E1055 Q1056	T1048-L1052 HydrophobicContact CG2-CD1 4.41Å; T1048-L1052 WeakPolarHBondContact O-CG 3.37Å; T1048-L1052 PolarHBondContact O-N 3.08Å; F1049-L1052 PolarHBondContact O-N 3.04Å; L1052-K1054 PolarHBondContact O-N 3.49Å; L1052-E1055 PolarHBondContact O-N 2.92Å; L1052-Q1056 PolarHBondContact O-N 3.33Å
1053	L	50.4	Low	49.2	Very low	39 Å²	39	97.4 Å²	97.4	20%	0.204	53%	0.527	C	S	.	.	H	α-helix	trans	-62.6	-26	171	-76	174.8	0	0	0	113	F1049 S1051 N1057	F1049-L1053 HydrophobicContact CD1-CD1 3.65Å; F1049-L1053 HydrophobicContact CD1-CG 4.21Å; F1049-L1053 HydrophobicContact CE1-CD1 3.51Å; F1049-L1053 HydrophobicContact CE1-CG 4.07Å; F1049-L1053 HydrophobicContact CZ-CD1 4.38Å; F1049-L1053 WeakPolarHBondContact O-CB 3.24Å; F1049-L1053 WeakPolarHBondContact O-CG 3.44Å; F1049-L1053 PolarHBondContact O-N 3.22Å; S1051-L1053 PolarHBondContact O-N 3.48Å; L1053-N1057 PolarHBondContact O-N 3.39Å; L1053-N1057 PolarHBondContact O-ND2 2.95Å
1054	K	50.1	Low	49.6	Very low	163 Å²	163	98.5 Å²	98.5	71%	0.709	53%	0.531	S	S	*	.	H	α-helix	trans	-77.5	-31	-178.6	-149.6	174.3	-175.4	-176.9	0	112.4	N1050 S1051 L1052	N1050-K1054 PolarHBondContact O-N 3.46Å; S1051-K1054 WeakPolarHBondContact O-CA 3.19Å; S1051-K1054 VanDerWaalsContact O-CB 3.32Å; S1051-K1054 WeakPolarHBondContact O-CB 3.43Å; S1051-K1054 PolarHBondContact O-N 3.19Å; L1052-K1054 PolarHBondContact O-N 3.49Å
1055	E	52	Low	49.7	Very low	153 Å²	153	104.8 Å²	104.8	72%	0.715	55%	0.546	S	S	*	.	H	α-helix	trans	-73.6	-39.5	174.1	-72.4	-167.8	129.2	0	0	112.7	S1051 L1052 N1057 N1058	S1051-E1055 PolarHBondContact O-N 3.08Å; L1052-E1055 PolarHBondContact O-N 2.92Å; E1055-N1057 VanDerWaalsContact C-N 3.26Å; E1055-N1057 PolarHBondContact O-N 3.31Å; E1055-N1058 PolarHBondContact O-N 3.49Å
1056	Q	48.4	Very low	49.6	Very low	89 Å²	89	109.3 Å²	109.3	42%	0.416	57%	0.565	S	S	.	*	H	α-helix	trans	-66.7	-23.1	176.6	-77.8	-147.1	-41.5	0	0	114.1	S847 L1052 N1058 G1059	S847-Q1056 PolarHBondContact OG-NE2 3.02Å; L1052-Q1056 PolarHBondContact O-N 3.33Å; Q1056-N1058 PolarHBondContact O-N 2.96Å; Q1056-G1059 PolarHBondContact O-N 3.42Å
1057	N	48	Very low	50.2	Low	75 Å²	75	107.6 Å²	107.6	40%	0.401	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-69	-11.9	-178.4	-94.8	-78.1	0	0	0	114.5	L1053 E1055 G1059 K1072	L1053-N1057 PolarHBondContact O-N 3.39Å; L1053-N1057 PolarHBondContact O-ND2 2.95Å; E1055-N1057 VanDerWaalsContact C-N 3.26Å; E1055-N1057 PolarHBondContact O-N 3.31Å; N1057-G1059 VanDerWaalsContact C-N 3.28Å; N1057-G1059 PolarHBondContact O-N 3.47Å; N1057-K1072 WeakPolarHBondContact OD1-CE 3.31Å
1058	N	48.6	Very low	50.6	Low	154 Å²	154	102 Å²	102	82%	0.824	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-83.2	2.3	179.2	-69.9	-18.5	0	0	0	114	E1055 Q1056	E1055-N1058 PolarHBondContact O-N 3.49Å; Q1056-N1058 PolarHBondContact O-N 2.96Å
1059	G	46.7	Very low	51.3	Low	65 Å²	65	100.8 Å²	100.8	67%	0.67	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-96.1	-10.9	-176.5	0	0	0	0	0	117.4	Q1056 N1057 S1061	Q1056-G1059 PolarHBondContact O-N 3.42Å; N1057-G1059 VanDerWaalsContact C-N 3.28Å; N1057-G1059 PolarHBondContact O-N 3.47Å; G1059-S1061 PolarHBondContact O-N 3.47Å
1060	C	48.6	Very low	52.1	Low	68 Å²	68	100.9 Å²	100.9	46%	0.459	54%	0.535	S	S	.	.			trans	-74.1	91.4	-176.3	-79	0	0	0	0	112.5	C1068	C1060-C1068 HydrophobicContact CB-CB 4.11Å; C1060-C1068 WeakPolarHBondContact CB-SG 3.47Å; C1060-C1068 WeakPolarHBondContact SG-CB 3.42Å; C1060-C1068 CovalentContact SG-SG 2.06Å; C1060-C1068 PolarHBondContact SG-SG 3.17Å
1061	S	42.4	Very low	52.6	Low	87 Å²	87	100.9 Å²	100.9	61%	0.608	53%	0.529	S	S	*	.			trans	-60.7	147.9	168.5	-171	0	0	0	0	111.9	G1059 T1063 N1064	G1059-S1061 PolarHBondContact O-N 3.47Å; S1061-T1063 PolarHBondContact O-N 3.01Å; S1061-N1064 PolarHBondContact O-N 2.95Å
1062	R	45.7	Very low	53.4	Low	227 Å²	227	102 Å²	102	86%	0.857	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-12.5	-164	-80.6	171.2	68.3	158.4	-1.9	116
1063	T	49.9	Very low	54.6	Low	120 Å²	120	102.3 Å²	102.3	74%	0.736	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-25.6	-177.8	53.3	0	0	0	0	114.1	S1061 R1065	S1061-T1063 PolarHBondContact O-N 3.01Å; T1063-R1065 PolarHBondContact O-N 3.2Å
1064	N	52.2	Low	55.8	Low	102 Å²	102	102.6 Å²	102.6	55%	0.545	53%	0.529	S	S	.	.			trans	-100.4	42.5	-170.7	-73.5	17.9	0	0	0	112.6	S1061 M1066 A1067 C1068	S1061-N1064 PolarHBondContact O-N 2.95Å; N1064-M1066 VanDerWaalsContact C-N 3.33Å; N1064-M1066 PolarHBondContact O-N 3.49Å; N1064-A1067 HydrophobicContact CB-CB 4.31Å; N1064-A1067 PolarHBondContact O-N 3.48Å; N1064-C1068 VanDerWaalsContact O-CB 3.32Å; N1064-C1068 WeakPolarHBondContact O-CB 3.5Å; N1064-C1068 PolarHBondContact O-N 2.93Å
1065	R	46.2	Very low	57	Low	201 Å²	201	96.1 Å²	96.1	76%	0.758	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.6	-170.8	-157.3	-176.5	-73.5	-162.1	-1	113.6	T1063 S1069	T1063-R1065 PolarHBondContact O-N 3.2Å; R1065-S1069 PolarHBondContact O-N 3.33Å
1066	M	46.2	Very low	58.4	Low	160 Å²	160	94.1 Å²	94.1	79%	0.788	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-53.3	170.5	-91.6	163	142.2	0	0	111.9	N1064 C1068 S1069 D1070	N1064-M1066 VanDerWaalsContact C-N 3.33Å; N1064-M1066 PolarHBondContact O-N 3.49Å; M1066-C1068 PolarHBondContact O-N 3.18Å; M1066-C1068 VanDerWaalsContact O-N 3.08Å; M1066-S1069 PolarHBondContact O-N 3.07Å; M1066-S1069 PolarHBondContact O-OG 3.08Å; M1066-D1070 PolarHBondContact O-N 2.9Å
1067	A	58.5	Low	60.1	Low	35 Å²	35	94.1 Å²	94.1	29%	0.289	49%	0.494	S	S	.	.	H	α-helix	trans	-56.9	-31.7	175.8	0	0	0	0	0	113.1	F913 N1064 D1070 W1071	F913-A1067 HydrophobicContact CE1-CB 3.96Å; F913-A1067 HydrophobicContact CZ-CB 4.35Å; N1064-A1067 HydrophobicContact CB-CB 4.31Å; N1064-A1067 PolarHBondContact O-N 3.48Å; A1067-D1070 PolarHBondContact O-N 3.24Å; A1067-W1071 WeakPolarHBondContact O-CB 3.24Å; A1067-W1071 PolarHBondContact O-N 3.11Å
1068	C	61.1	Low	61.7	Low	20 Å²	20	91.3 Å²	91.3	14%	0.135	48%	0.479	C	S	.	.	H	α-helix	trans	-73.9	-19.6	176.7	-163.8	0	0	0	0	114	C1060 N1064 M1066 K1072	C1060-C1068 HydrophobicContact CB-CB 4.11Å; C1060-C1068 WeakPolarHBondContact CB-SG 3.47Å; C1060-C1068 WeakPolarHBondContact SG-CB 3.42Å; C1060-C1068 CovalentContact SG-SG 2.06Å; C1060-C1068 PolarHBondContact SG-SG 3.17Å; N1064-C1068 VanDerWaalsContact O-CB 3.32Å; N1064-C1068 WeakPolarHBondContact O-CB 3.5Å; N1064-C1068 PolarHBondContact O-N 2.93Å; M1066-C1068 PolarHBondContact O-N 3.18Å; M1066-C1068 VanDerWaalsContact O-N 3.08Å; C1068-K1072 WeakPolarHBondContact O-CD 3.25Å; C1068-K1072 VanDerWaalsContact O-CG 3.3Å; C1068-K1072 WeakPolarHBondContact O-CG 3.43Å
1069	S	67.8	Low	63.4	Low	56 Å²	56	86.2 Å²	86.2	39%	0.392	45%	0.449	S	S	.	.	H	α-helix	trans	-79.1	-43.8	167.4	52.2	0	0	0	0	111.2	R1065 M1066 K1072 M1073	R1065-S1069 PolarHBondContact O-N 3.33Å; M1066-S1069 PolarHBondContact O-N 3.07Å; M1066-S1069 PolarHBondContact O-OG 3.08Å; S1069-K1072 WeakPolarHBondContact O-CB 3.43Å; S1069-K1072 PolarHBondContact O-N 2.97Å; S1069-K1072 VanDerWaalsContact O-N 3.1Å; S1069-M1073 PolarHBondContact O-N 3.22Å
1070	D	68.1	Low	65.4	Low	63 Å²	63	89.4 Å²	89.4	34%	0.337	45%	0.446	S	S	.	.	H	α-helix	trans	-73.9	-36.6	-171.2	-53.8	-17.3	0	0	0	110.3	F913 M1066 A1067 K1072 M1073 V1074	F913-D1070 HydrophobicContact CE2-CB 3.74Å; F913-D1070 WeakPolarHBondContact CE2-OD2 3.42Å; F913-D1070 HydrophobicContact CZ-CB 3.83Å; F913-D1070 WeakPolarHBondContact CZ-OD2 3.44Å; M1066-D1070 PolarHBondContact O-N 2.9Å; A1067-D1070 PolarHBondContact O-N 3.24Å; D1070-K1072 VanDerWaalsContact C-N 3.3Å; D1070-K1072 PolarHBondContact O-N 2.94Å; D1070-M1073 WeakPolarHBondContact O-CB 3.46Å; D1070-M1073 PolarHBondContact O-N 2.88Å; D1070-M1073 VanDerWaalsContact O-N 3.13Å; D1070-V1074 WeakPolarHBondContact O-CG2 3.16Å; D1070-V1074 PolarHBondContact O-N 2.97Å
1071	W	67.2	Low	67.2	Low	75 Å²	75	87.6 Å²	87.6	28%	0.284	43%	0.433	S	S	.	.	H	α-helix	trans	-56.3	-40.9	167.5	-173.1	-105	0	0	0	113.2	P848 D849 A1067 V1074 Q1075	P848-W1071 HydrophobicContact CB-CH2 3.62Å; P848-W1071 HydrophobicContact CB-CZ3 3.93Å; P848-W1071 HydrophobicContact CG-CH2 3.54Å; P848-W1071 HydrophobicContact CG-CZ2 3.98Å; P848-W1071 HydrophobicContact CG-CZ3 4.11Å; D849-W1071 WeakPolarHBondContact OD1-CH2 3.41Å; D849-W1071 WeakPolarHBondContact OD1-CZ3 3.34Å; D849-W1071 WeakPolarHBondContact OD2-CH2 3.49Å; A1067-W1071 WeakPolarHBondContact O-CB 3.24Å; A1067-W1071 PolarHBondContact O-N 3.11Å; W1071-V1074 PolarHBondContact O-N 3.14Å; W1071-Q1075 WeakPolarHBondContact O-CG 3.47Å; W1071-Q1075 PolarHBondContact O-N 3.36Å
1072	K	73.2	Confident	69.5	Low	88 Å²	88	85.4 Å²	85.4	38%	0.383	41%	0.413	S	S	.	.	H	α-helix	trans	-69.3	-35.1	177	-73.5	174.9	-177.1	-179.9	0	111.7	N1057 C1068 S1069 D1070 Q1076	N1057-K1072 WeakPolarHBondContact OD1-CE 3.31Å; C1068-K1072 WeakPolarHBondContact O-CD 3.25Å; C1068-K1072 VanDerWaalsContact O-CG 3.3Å; C1068-K1072 WeakPolarHBondContact O-CG 3.43Å; S1069-K1072 WeakPolarHBondContact O-CB 3.43Å; S1069-K1072 PolarHBondContact O-N 2.97Å; S1069-K1072 VanDerWaalsContact O-N 3.1Å; D1070-K1072 VanDerWaalsContact C-N 3.3Å; D1070-K1072 PolarHBondContact O-N 2.94Å; K1072-Q1076 WeakPolarHBondContact O-CB 3.43Å; K1072-Q1076 VanDerWaalsContact O-CG 3.3Å; K1072-Q1076 WeakPolarHBondContact O-CG 3.42Å; K1072-Q1076 PolarHBondContact O-N 3.16Å
1073	M	75.8	Confident	71.5	Confident	108 Å²	108	78.6 Å²	78.6	53%	0.532	39%	0.392	S	S	.	.	H	α-helix	trans	-64.3	-46.7	172.6	-67.8	-65.1	-69.7	0	0	111	S1069 D1070 Q1075 Q1076 I1077	S1069-M1073 PolarHBondContact O-N 3.22Å; D1070-M1073 WeakPolarHBondContact O-CB 3.46Å; D1070-M1073 PolarHBondContact O-N 2.88Å; D1070-M1073 VanDerWaalsContact O-N 3.13Å; M1073-Q1075 PolarHBondContact O-N 3.39Å; M1073-Q1076 PolarHBondContact O-N 3.45Å; M1073-I1077 VanDerWaalsContact O-CG1 3.29Å; M1073-I1077 WeakPolarHBondContact O-CG1 3.37Å; M1073-I1077 PolarHBondContact O-N 3.49Å
1074	V	75.4	Confident	73.4	Confident	45 Å²	45	75.5 Å²	75.5	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-47.2	175.5	174	0	0	0	0	111.2	D1070 W1071 Q1076 I1077 E1078	D1070-V1074 WeakPolarHBondContact O-CG2 3.16Å; D1070-V1074 PolarHBondContact O-N 2.97Å; W1071-V1074 PolarHBondContact O-N 3.14Å; V1074-Q1076 VanDerWaalsContact C-N 3.31Å; V1074-Q1076 PolarHBondContact O-N 2.91Å; V1074-I1077 PolarHBondContact O-N 3.46Å; V1074-E1078 HydrophobicContact CG1-CG 4.49Å; V1074-E1078 WeakPolarHBondContact O-CG 3.46Å; V1074-E1078 PolarHBondContact O-N 3.39Å
1075	Q	75.7	Confident	75.3	Confident	28 Å²	28	72.3 Å²	72.3	13%	0.131	36%	0.357	C	S	.	.	H	α-helix	trans	-61.8	-35.1	176.4	-74.3	-170.5	-23.6	0	0	113.2	W1071 M1073 K1079	W1071-Q1075 WeakPolarHBondContact O-CG 3.47Å; W1071-Q1075 PolarHBondContact O-N 3.36Å; M1073-Q1075 PolarHBondContact O-N 3.39Å; Q1075-K1079 WeakPolarHBondContact O-CB 3.19Å; Q1075-K1079 PolarHBondContact O-N 3.26Å
1076	Q	80.7	Confident	77.4	Confident	111 Å²	111	64.3 Å²	64.3	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-68.7	-45.6	173.7	-76.3	178.4	5.2	0	0	111.7	K1072 M1073 V1074 E1078 K1079 H1080	K1072-Q1076 WeakPolarHBondContact O-CB 3.43Å; K1072-Q1076 VanDerWaalsContact O-CG 3.3Å; K1072-Q1076 WeakPolarHBondContact O-CG 3.42Å; K1072-Q1076 PolarHBondContact O-N 3.16Å; M1073-Q1076 PolarHBondContact O-N 3.45Å; V1074-Q1076 VanDerWaalsContact C-N 3.31Å; V1074-Q1076 PolarHBondContact O-N 2.91Å; Q1076-E1078 PolarHBondContact O-N 2.84Å; Q1076-K1079 WeakPolarHBondContact O-CB 3.46Å; Q1076-K1079 PolarHBondContact O-N 2.8Å; Q1076-K1079 VanDerWaalsContact O-N 3.17Å; Q1076-H1080 PolarHBondContact O-CD2 3.27Å; Q1076-H1080 PolarHBondContact O-N 3.45Å
1077	I	83.8	Confident	79.5	Confident	88 Å²	88	60.4 Å²	60.4	45%	0.451	32%	0.315	S	S	.	.	H	α-helix	trans	-58.4	-48.2	175.9	-68.1	163.1	0	0	0	110.1	W902 M1073 V1074 K1079 H1080 V1081	W902-I1077 HydrophobicContact CH2-CG2 4.02Å; W902-I1077 HydrophobicContact CZ2-CG2 4.35Å; M1073-I1077 VanDerWaalsContact O-CG1 3.29Å; M1073-I1077 WeakPolarHBondContact O-CG1 3.37Å; M1073-I1077 PolarHBondContact O-N 3.49Å; V1074-I1077 PolarHBondContact O-N 3.46Å; I1077-K1079 VanDerWaalsContact C-N 3.33Å; I1077-K1079 PolarHBondContact O-N 2.93Å; I1077-H1080 PolarHBondContact O-N 3.32Å; I1077-V1081 HydrophobicContact CG2-CG2 4.31Å; I1077-V1081 WeakPolarHBondContact O-CB 3.35Å; I1077-V1081 VanDerWaalsContact O-CG2 3.3Å; I1077-V1081 WeakPolarHBondContact O-CG2 3.15Å; I1077-V1081 PolarHBondContact O-N 2.59Å
1078	E	83	Confident	81	Confident	17 Å²	17	63 Å²	63	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-59.2	-41	175.1	-73.7	-166.9	171.5	0	0	112.5	R854 V1074 Q1076 V1081 F1082	R854-E1078 IonicContact CZ-OE1 3.44Å; R854-E1078 IonicContact CZ-OE2 3.67Å; R854-E1078 IonicContact NH1-OE1 2.67Å; R854-E1078 PolarHBondContact NH1-OE1 2.89Å; R854-E1078 IonicContact NH1-OE2 3.65Å; R854-E1078 IonicContact NH2-OE1 3.31Å; R854-E1078 PolarHBondContact NH2-OE1 3.26Å; R854-E1078 IonicContact NH2-OE2 2.78Å; R854-E1078 PolarHBondContact NH2-OE2 3.3Å; V1074-E1078 HydrophobicContact CG1-CG 4.49Å; V1074-E1078 WeakPolarHBondContact O-CG 3.46Å; V1074-E1078 PolarHBondContact O-N 3.39Å; Q1076-E1078 PolarHBondContact O-N 2.84Å; E1078-V1081 PolarHBondContact O-N 3.17Å; E1078-F1082 WeakPolarHBondContact O-CB 3.33Å; E1078-F1082 PolarHBondContact O-N 3.38Å
1079	K	84.4	Confident	82.5	Confident	47 Å²	47	62.6 Å²	62.6	20%	0.204	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-45.2	175.8	-171.9	176.6	-171.9	168.3	0	111.8	N1046 F1049 N1050 Q1075 Q1076 I1077 I1083	N1046-K1079 WeakPolarHBondContact OD1-CE 3.15Å; N1046-K1079 PolarHBondContact OD1-NZ 2.93Å; F1049-K1079 HydrophobicContact CD1-CD 4.16Å; F1049-K1079 HydrophobicContact CD1-CG 4.43Å; F1049-K1079 HydrophobicContact CE1-CB 4.11Å; F1049-K1079 HydrophobicContact CE1-CD 3.85Å; F1049-K1079 HydrophobicContact CE1-CG 3.87Å; N1050-K1079 PolarHBondContact OD1-NZ 3.4Å; Q1075-K1079 WeakPolarHBondContact O-CB 3.19Å; Q1075-K1079 PolarHBondContact O-N 3.26Å; Q1076-K1079 WeakPolarHBondContact O-CB 3.46Å; Q1076-K1079 PolarHBondContact O-N 2.8Å; Q1076-K1079 VanDerWaalsContact O-N 3.17Å; I1077-K1079 VanDerWaalsContact C-N 3.33Å; I1077-K1079 PolarHBondContact O-N 2.93Å; K1079-I1083 HydrophobicContact CG-CD1 4.17Å; K1079-I1083 WeakPolarHBondContact O-CD1 3.45Å; K1079-I1083 VanDerWaalsContact O-CG1 3.25Å; K1079-I1083 WeakPolarHBondContact O-CG1 3.4Å; K1079-I1083 PolarHBondContact O-N 3.44Å; K1079-I1083 VanDerWaalsContact O-N 3.11Å
1080	H	87.8	Confident	83.6	Confident	132 Å²	132	64.9 Å²	64.9	61%	0.611	33%	0.326	S	S	*	.	H	α-helix	trans	-65.2	-41.2	177.6	-76.7	-68.5	0	0	0	112.2	Q1076 I1077 I1083 S1084	Q1076-H1080 PolarHBondContact O-CD2 3.27Å; Q1076-H1080 PolarHBondContact O-N 3.45Å; I1077-H1080 PolarHBondContact O-N 3.32Å; H1080-I1083 PolarHBondContact O-N 3.32Å; H1080-S1084 WeakPolarHBondContact O-CB 3.43Å; H1080-S1084 PolarHBondContact O-N 3.22Å
1081	V	87.1	Confident	84.8	Confident	30 Å²	30	66.8 Å²	66.8	18%	0.182	34%	0.336	C	S	.	.	H	α-helix	trans	-72.8	-37.6	-179.6	172.2	0	0	0	0	112	W902 I1077 E1078 S1084 F1085	W902-V1081 HydrophobicContact CD2-CG1 3.68Å; W902-V1081 HydrophobicContact CE3-CG1 3.95Å; W902-V1081 HydrophobicContact CG-CG1 4.29Å; W902-V1081 HydrophobicContact CH2-CB 4.18Å; W902-V1081 HydrophobicContact CH2-CG1 4.04Å; W902-V1081 HydrophobicContact CH2-CG2 3.67Å; W902-V1081 HydrophobicContact CZ2-CB 3.92Å; W902-V1081 HydrophobicContact CZ2-CG1 3.75Å; W902-V1081 HydrophobicContact CZ2-CG2 3.92Å; W902-V1081 HydrophobicContact CZ3-CG1 4.11Å; W902-V1081 HydrophobicContact CZ3-CG2 4.11Å; I1077-V1081 HydrophobicContact CG2-CG2 4.31Å; I1077-V1081 WeakPolarHBondContact O-CB 3.35Å; I1077-V1081 VanDerWaalsContact O-CG2 3.3Å; I1077-V1081 WeakPolarHBondContact O-CG2 3.15Å; I1077-V1081 PolarHBondContact O-N 2.59Å; E1078-V1081 PolarHBondContact O-N 3.17Å; V1081-S1084 WeakPolarHBondContact O-CB 3.5Å; V1081-S1084 PolarHBondContact O-N 3.48Å; V1081-F1085 HydrophobicContact CG1-CD2 3.56Å; V1081-F1085 HydrophobicContact CG1-CE2 3.22Å; V1081-F1085 HydrophobicContact CG1-CZ 4.05Å; V1081-F1085 WeakPolarHBondContact O-CD2 3.49Å; V1081-F1085 PolarHBondContact O-N 2.97Å
1082	F	89.8	Confident	85.9	Confident	41 Å²	41	64.2 Å²	64.2	18%	0.18	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-49.3	170.1	173	-100.3	0	0	0	111.5	F841 F844 V1045 E1078 S1084 F1085 V1086	F841-F1082 HydrophobicContact CB-CE2 4.05Å; F841-F1082 HydrophobicContact CD1-CD2 4.44Å; F841-F1082 HydrophobicContact CD1-CE2 4.09Å; F841-F1082 HydrophobicContact CG-CE2 4.48Å; F844-F1082 HydrophobicContact CB-CD2 3.72Å; F844-F1082 HydrophobicContact CB-CE2 4.18Å; F844-F1082 HydrophobicContact CD1-CB 4.28Å; F844-F1082 HydrophobicContact CD1-CD2 4.17Å; F844-F1082 AromaticContact CD2-CD2 3.92Å; F844-F1082 HydrophobicContact CD2-CD2 3.92Å; F844-F1082 HydrophobicContact CD2-CE2 4.4Å; F844-F1082 AromaticContact CG-CD2 3.69Å; F844-F1082 HydrophobicContact CG-CD2 3.69Å; F844-F1082 HydrophobicContact CG-CE2 4.41Å; V1045-F1082 HydrophobicContact CG1-CE1 4.19Å; E1078-F1082 WeakPolarHBondContact O-CB 3.33Å; E1078-F1082 PolarHBondContact O-N 3.38Å; F1082-S1084 VanDerWaalsContact C-N 3.31Å; F1082-S1084 PolarHBondContact O-N 3.04Å; F1082-F1085 PolarHBondContact O-N 3.48Å; F1082-V1086 HydrophobicContact CD1-CG2 4.44Å; F1082-V1086 HydrophobicContact CD2-CG2 4.24Å; F1082-V1086 HydrophobicContact CE1-CG2 4.08Å; F1082-V1086 HydrophobicContact CE2-CG2 3.89Å; F1082-V1086 HydrophobicContact CZ-CG2 3.8Å; F1082-V1086 WeakPolarHBondContact O-CB 3.43Å; F1082-V1086 VanDerWaalsContact O-CG2 3.31Å; F1082-V1086 WeakPolarHBondContact O-CG2 3.48Å; F1082-V1086 PolarHBondContact O-N 3.04Å
1083	I	88.5	Confident	86.7	Confident	83 Å²	83	60.3 Å²	60.3	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-59.6	-44.3	176.3	-67.7	165	0	0	0	110.2	K1079 H1080 V1086 T1087	K1079-I1083 HydrophobicContact CG-CD1 4.17Å; K1079-I1083 WeakPolarHBondContact O-CD1 3.45Å; K1079-I1083 VanDerWaalsContact O-CG1 3.25Å; K1079-I1083 WeakPolarHBondContact O-CG1 3.4Å; K1079-I1083 PolarHBondContact O-N 3.44Å; K1079-I1083 VanDerWaalsContact O-N 3.11Å; H1080-I1083 PolarHBondContact O-N 3.32Å; I1083-V1086 PolarHBondContact O-N 2.92Å; I1083-T1087 HydrophobicContact CG2-CG2 4.4Å; I1083-T1087 WeakPolarHBondContact O-CG2 3.44Å; I1083-T1087 PolarHBondContact O-N 3.22Å; I1083-T1087 PolarHBondContact O-OG1 3.14Å
1084	S	89.3	Confident	87.5	Confident	55 Å²	55	57.6 Å²	57.6	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-56.7	-54.4	175.8	-171.9	0	0	0	0	111.8	H1080 V1081 F1082 V1086 T1087 I1088	H1080-S1084 WeakPolarHBondContact O-CB 3.43Å; H1080-S1084 PolarHBondContact O-N 3.22Å; V1081-S1084 WeakPolarHBondContact O-CB 3.5Å; V1081-S1084 PolarHBondContact O-N 3.48Å; F1082-S1084 VanDerWaalsContact C-N 3.31Å; F1082-S1084 PolarHBondContact O-N 3.04Å; S1084-V1086 PolarHBondContact O-N 2.89Å; S1084-T1087 PolarHBondContact O-N 3.31Å; S1084-T1087 PolarHBondContact O-OG1 3.08Å; S1084-I1088 WeakPolarHBondContact O-CG1 3.41Å; S1084-I1088 PolarHBondContact O-N 2.92Å
1085	F	90.9	Very high	88.3	Confident	36 Å²	36	60.3 Å²	60.3	16%	0.158	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-39.2	179.6	-71.9	-48.5	0	0	0	113.4	F841 F844 I898 W902 V1081 F1082 I1088 Y1089	F841-F1085 HydrophobicContact CE1-CB 4.05Å; F844-F1085 HydrophobicContact CE1-CD2 4.3Å; F844-F1085 AromaticContact CZ-CD2 3.79Å; F844-F1085 HydrophobicContact CZ-CD2 3.79Å; F844-F1085 HydrophobicContact CZ-CE2 4.29Å; I898-F1085 HydrophobicContact CG2-CD1 4.28Å; I898-F1085 HydrophobicContact CG2-CE1 3.39Å; I898-F1085 HydrophobicContact CG2-CZ 3.83Å; W902-F1085 HydrophobicContact CB-CE2 3.83Å; W902-F1085 HydrophobicContact CB-CZ 4.05Å; W902-F1085 HydrophobicContact CD2-CE2 4.12Å; W902-F1085 AromaticContact CG-CE2 3.73Å; W902-F1085 HydrophobicContact CG-CE2 3.73Å; W902-F1085 HydrophobicContact CG-CZ 4.32Å; V1081-F1085 HydrophobicContact CG1-CD2 3.56Å; V1081-F1085 HydrophobicContact CG1-CE2 3.22Å; V1081-F1085 HydrophobicContact CG1-CZ 4.05Å; V1081-F1085 WeakPolarHBondContact O-CD2 3.49Å; V1081-F1085 PolarHBondContact O-N 2.97Å; F1082-F1085 PolarHBondContact O-N 3.48Å; F1085-I1088 PolarHBondContact O-N 3.38Å; F1085-Y1089 WeakPolarHBondContact O-CB 3.47Å; F1085-Y1089 PolarHBondContact O-N 3.38Å
1086	V	91	Very high	89	Confident	32 Å²	32	60 Å²	60	19%	0.194	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-41.9	175.2	171.2	0	0	0	0	111.1	F841 F1082 I1083 S1084 Y1089 I1090	F841-V1086 HydrophobicContact CD1-CG2 3.45Å; F841-V1086 VanDerWaalsContact CD1-CG2 3.45Å; F841-V1086 HydrophobicContact CE1-CB 4.42Å; F841-V1086 HydrophobicContact CE1-CG2 3.6Å; F841-V1086 HydrophobicContact CG-CG2 4.02Å; F841-V1086 HydrophobicContact CZ-CG2 4.26Å; F1082-V1086 HydrophobicContact CD1-CG2 4.44Å; F1082-V1086 HydrophobicContact CD2-CG2 4.24Å; F1082-V1086 HydrophobicContact CE1-CG2 4.08Å; F1082-V1086 HydrophobicContact CE2-CG2 3.89Å; F1082-V1086 HydrophobicContact CZ-CG2 3.8Å; F1082-V1086 WeakPolarHBondContact O-CB 3.43Å; F1082-V1086 VanDerWaalsContact O-CG2 3.31Å; F1082-V1086 WeakPolarHBondContact O-CG2 3.48Å; F1082-V1086 PolarHBondContact O-N 3.04Å; I1083-V1086 PolarHBondContact O-N 2.92Å; S1084-V1086 PolarHBondContact O-N 2.89Å; V1086-Y1089 PolarHBondContact O-N 3.05Å; V1086-I1090 HydrophobicContact CG1-CD1 3.78Å; V1086-I1090 HydrophobicContact CG1-CG1 4.48Å; V1086-I1090 VanDerWaalsContact O-CG1 3.3Å; V1086-I1090 WeakPolarHBondContact O-CG1 3.39Å; V1086-I1090 PolarHBondContact O-N 2.87Å
1087	T	89.8	Confident	89.4	Confident	78 Å²	78	59.7 Å²	59.7	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-67.2	-43	177	58.7	0	0	0	0	112.5	I1083 S1084 Y1089 I1090 L1091	I1083-T1087 HydrophobicContact CG2-CG2 4.4Å; I1083-T1087 WeakPolarHBondContact O-CG2 3.44Å; I1083-T1087 PolarHBondContact O-N 3.22Å; I1083-T1087 PolarHBondContact O-OG1 3.14Å; S1084-T1087 PolarHBondContact O-N 3.31Å; S1084-T1087 PolarHBondContact O-OG1 3.08Å; T1087-Y1089 VanDerWaalsContact C-N 3.32Å; T1087-Y1089 PolarHBondContact O-N 3.42Å; T1087-I1090 PolarHBondContact O-N 3.3Å; T1087-L1091 WeakPolarHBondContact O-CB 3.34Å; T1087-L1091 PolarHBondContact O-N 3.07Å
1088	I	90.4	Very high	89.8	Confident	91 Å²	91	62.1 Å²	62.1	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-42.1	175.4	-68.4	166.5	0	0	0	110.7	S1084 F1085 L1091 A1092	S1084-I1088 WeakPolarHBondContact O-CG1 3.41Å; S1084-I1088 PolarHBondContact O-N 2.92Å; F1085-I1088 PolarHBondContact O-N 3.38Å; I1088-L1091 PolarHBondContact O-N 3.07Å; I1088-A1092 VanDerWaalsContact O-CB 3.27Å; I1088-A1092 WeakPolarHBondContact O-CB 3.42Å; I1088-A1092 PolarHBondContact O-N 3.36Å
1089	Y	92.6	Very high	90.1	Very high	11 Å²	11	66.7 Å²	66.7	4%	0.043	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-52.6	177.4	177	-96.1	0	0	0	112.4	F834 S837 G838 F841 I895 F1085 V1086 T1087 L1091 A1092 H1093	F834-Y1089 HydrophobicContact CD2-CE1 4.22Å; F834-Y1089 AromaticContact CD2-CZ 3.98Å; F834-Y1089 WeakPolarHBondContact CD2-OH 3.33Å; F834-Y1089 AromaticContact CE2-CE1 3.65Å; F834-Y1089 HydrophobicContact CE2-CE1 3.65Å; F834-Y1089 AromaticContact CE2-CZ 3.9Å; F834-Y1089 WeakPolarHBondContact CE2-OH 3.4Å; F834-Y1089 HydrophobicContact CZ-CE1 4.33Å; F834-Y1089 PolarHBondContact O-OH 3.4Å; S837-Y1089 WeakPolarHBondContact OG-CE2 3.47Å; S837-Y1089 PolarHBondContact OG-OH 2.9Å; G838-Y1089 PolarHBondContact N-OH 3.08Å; F841-Y1089 AromaticContact CE2-CD1 3.57Å; F841-Y1089 HydrophobicContact CE2-CD1 3.57Å; F841-Y1089 AromaticContact CE2-CD2 3.78Å; F841-Y1089 HydrophobicContact CE2-CD2 3.78Å; F841-Y1089 AromaticContact CE2-CE1 3.9Å; F841-Y1089 HydrophobicContact CE2-CE1 3.9Å; F841-Y1089 HydrophobicContact CE2-CE2 4.08Å; F841-Y1089 AromaticContact CE2-CG 3.51Å; F841-Y1089 HydrophobicContact CE2-CG 3.51Å; F841-Y1089 HydrophobicContact CZ-CD1 4.04Å; F841-Y1089 AromaticContact CZ-CD2 3.9Å; F841-Y1089 HydrophobicContact CZ-CD2 3.9Å; F841-Y1089 AromaticContact CZ-CG 3.57Å; F841-Y1089 HydrophobicContact CZ-CG 3.57Å; I895-Y1089 HydrophobicContact CD1-CD2 3.82Å; I895-Y1089 HydrophobicContact CD1-CE2 4.19Å; I895-Y1089 HydrophobicContact CG2-CD2 4.26Å; F1085-Y1089 WeakPolarHBondContact O-CB 3.47Å; F1085-Y1089 PolarHBondContact O-N 3.38Å; V1086-Y1089 PolarHBondContact O-N 3.05Å; T1087-Y1089 VanDerWaalsContact C-N 3.32Å; T1087-Y1089 PolarHBondContact O-N 3.42Å; Y1089-L1091 VanDerWaalsContact C-N 3.28Å; Y1089-L1091 PolarHBondContact O-N 3.23Å; Y1089-A1092 PolarHBondContact O-N 2.79Å; Y1089-H1093 AromaticContact CD2-CD2 3.61Å; Y1089-H1093 AromaticContact CD2-NE2 3.68Å; Y1089-H1093 AromaticContact CE1-CD2 3.84Å; Y1089-H1093 AromaticContact CE2-CD2 3.34Å; Y1089-H1093 WeakPolarHBondContact CE2-CD2 3.41Å; Y1089-H1093 AromaticContact CE2-NE2 3.05Å; Y1089-H1093 WeakPolarHBondContact CE2-NE2 3.46Å; Y1089-H1093 AromaticContact CG-CD2 3.96Å; Y1089-H1093 AromaticContact CZ-CD2 3.46Å; Y1089-H1093 VanDerWaalsContact CZ-CD2 3.46Å; Y1089-H1093 AromaticContact CZ-NE2 3.38Å; Y1089-H1093 PolarHBondContact O-CD2 3.4Å; Y1089-H1093 VanDerWaalsContact O-CD2 3.29Å; Y1089-H1093 PolarHBondContact O-N 2.94Å
1090	I	91.9	Very high	90.3	Very high	103 Å²	103	64.8 Å²	64.8	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-42.7	177.7	-67.9	168.8	0	0	0	110.2	V1086 T1087 A1094	V1086-I1090 HydrophobicContact CG1-CD1 3.78Å; V1086-I1090 HydrophobicContact CG1-CG1 4.48Å; V1086-I1090 VanDerWaalsContact O-CG1 3.3Å; V1086-I1090 WeakPolarHBondContact O-CG1 3.39Å; V1086-I1090 PolarHBondContact O-N 2.87Å; T1087-I1090 PolarHBondContact O-N 3.3Å; I1090-A1094 WeakPolarHBondContact O-CB 3.33Å; I1090-A1094 PolarHBondContact O-N 2.7Å
1091	L	92.2	Very high	90.4	Very high	104 Å²	104	66.2 Å²	66.2	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-46.5	177.2	-179.1	63.4	0	0	0	111.9	T1087 I1088 Y1089 A1094 I1095	T1087-L1091 WeakPolarHBondContact O-CB 3.34Å; T1087-L1091 PolarHBondContact O-N 3.07Å; I1088-L1091 PolarHBondContact O-N 3.07Å; Y1089-L1091 VanDerWaalsContact C-N 3.28Å; Y1089-L1091 PolarHBondContact O-N 3.23Å; L1091-A1094 PolarHBondContact O-N 3.05Å; L1091-I1095 HydrophobicContact CD1-CD1 3.95Å; L1091-I1095 HydrophobicContact CD1-CG1 4.26Å; L1091-I1095 HydrophobicContact CG-CD1 3.83Å; L1091-I1095 WeakPolarHBondContact O-CB 3.4Å; L1091-I1095 VanDerWaalsContact O-CG1 3.25Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.48Å; L1091-I1095 PolarHBondContact O-N 3.09Å
1092	A	90.8	Very high	90.5	Very high	20 Å²	20	69.8 Å²	69.8	17%	0.165	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-44.2	-179.5	0	0	0	0	0	112.5	M891 I1088 Y1089 I1095 F1096	M891-A1092 HydrophobicContact CE-CB 3.4Å; M891-A1092 VanDerWaalsContact CE-CB 3.4Å; M891-A1092 HydrophobicContact SD-CB 4.25Å; I1088-A1092 VanDerWaalsContact O-CB 3.27Å; I1088-A1092 WeakPolarHBondContact O-CB 3.42Å; I1088-A1092 PolarHBondContact O-N 3.36Å; Y1089-A1092 PolarHBondContact O-N 2.79Å; A1092-I1095 PolarHBondContact O-N 3.29Å; A1092-F1096 WeakPolarHBondContact O-CB 3.43Å; A1092-F1096 PolarHBondContact O-N 2.97Å
1093	H	90.9	Very high	90.5	Very high	6 Å²	6	68.7 Å²	68.7	3%	0.028	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-37.9	173.6	-79.1	-82.6	0	0	0	111.7	F834 Y888 Y1089 F1096 I1097	F834-H1093 AromaticContact CD2-CE1 3.95Å; F834-H1093 AromaticContact CD2-CG 3.97Å; F834-H1093 AromaticContact CD2-ND1 3.72Å; Y888-H1093 AromaticContact CE2-CE1 3.51Å; Y888-H1093 AromaticContact CE2-ND1 3.45Å; Y888-H1093 WeakPolarHBondContact CE2-ND1 3.19Å; Y888-H1093 AromaticContact CZ-CE1 3.54Å; Y888-H1093 AromaticContact CZ-ND1 3.66Å; Y888-H1093 PolarHBondContact OH-CE1 3.47Å; Y888-H1093 PolarHBondContact OH-ND1 3.37Å; Y888-H1093 VanDerWaalsContact OH-ND1 3.1Å; Y1089-H1093 AromaticContact CD2-CD2 3.61Å; Y1089-H1093 AromaticContact CD2-NE2 3.68Å; Y1089-H1093 AromaticContact CE1-CD2 3.84Å; Y1089-H1093 AromaticContact CE2-CD2 3.34Å; Y1089-H1093 WeakPolarHBondContact CE2-CD2 3.41Å; Y1089-H1093 AromaticContact CE2-NE2 3.05Å; Y1089-H1093 WeakPolarHBondContact CE2-NE2 3.46Å; Y1089-H1093 AromaticContact CG-CD2 3.96Å; Y1089-H1093 AromaticContact CZ-CD2 3.46Å; Y1089-H1093 VanDerWaalsContact CZ-CD2 3.46Å; Y1089-H1093 AromaticContact CZ-NE2 3.38Å; Y1089-H1093 PolarHBondContact O-CD2 3.4Å; Y1089-H1093 VanDerWaalsContact O-CD2 3.29Å; Y1089-H1093 PolarHBondContact O-N 2.94Å; H1093-F1096 PolarHBondContact O-N 3.06Å; H1093-I1097 WeakPolarHBondContact O-CB 3.39Å; H1093-I1097 WeakPolarHBondContact O-CD1 3.48Å; H1093-I1097 WeakPolarHBondContact O-CG1 3.32Å; H1093-I1097 PolarHBondContact O-N 2.89Å
1094	A	91	Very high	90.5	Very high	52 Å²	52	65.3 Å²	65.3	43%	0.43	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-43.7	175.5	0	0	0	0	0	112.5	I1090 L1091 F1096 I1097 F1098	I1090-A1094 WeakPolarHBondContact O-CB 3.33Å; I1090-A1094 PolarHBondContact O-N 2.7Å; L1091-A1094 PolarHBondContact O-N 3.05Å; A1094-F1096 VanDerWaalsContact C-N 3.35Å; A1094-I1097 PolarHBondContact O-N 3.38Å; A1094-F1098 VanDerWaalsContact O-CB 3.23Å; A1094-F1098 WeakPolarHBondContact O-CB 3.42Å; A1094-F1098 PolarHBondContact O-N 3.24Å
1095	I	92.2	Very high	90.5	Very high	102 Å²	102	64.2 Å²	64.2	52%	0.523	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-46.1	173.9	-71.4	166.4	0	0	0	110.1	L1091 A1092 F1098 W1099	L1091-I1095 HydrophobicContact CD1-CD1 3.95Å; L1091-I1095 HydrophobicContact CD1-CG1 4.26Å; L1091-I1095 HydrophobicContact CG-CD1 3.83Å; L1091-I1095 WeakPolarHBondContact O-CB 3.4Å; L1091-I1095 VanDerWaalsContact O-CG1 3.25Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.48Å; L1091-I1095 PolarHBondContact O-N 3.09Å; A1092-I1095 PolarHBondContact O-N 3.29Å; I1095-F1098 PolarHBondContact O-N 3.17Å; I1095-W1099 WeakPolarHBondContact O-CB 3.34Å; I1095-W1099 PolarHBondContact O-N 3.39Å
1096	F	90.9	Very high	90.4	Very high	22 Å²	22	68.6 Å²	68.6	10%	0.096	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-44.3	-179.9	-177.1	-99.1	0	0	0	112.5	F830 Y888 A1092 H1093 A1094 W1099 L1100	F830-F1096 AromaticContact CD1-CE1 3.89Å; F830-F1096 HydrophobicContact CD1-CE1 3.89Å; F830-F1096 AromaticContact CE1-CE1 3.56Å; F830-F1096 HydrophobicContact CE1-CE1 3.56Å; F830-F1096 AromaticContact CE1-CZ 3.74Å; F830-F1096 HydrophobicContact CE1-CZ 3.74Å; F830-F1096 HydrophobicContact CZ-CE1 4.44Å; F830-F1096 HydrophobicContact CZ-CZ 4.42Å; Y888-F1096 AromaticContact CD2-CD1 3.27Å; Y888-F1096 HydrophobicContact CD2-CD1 3.27Å; Y888-F1096 HydrophobicContact CD2-CD2 4.23Å; Y888-F1096 AromaticContact CD2-CE1 3.2Å; Y888-F1096 HydrophobicContact CD2-CE1 3.2Å; Y888-F1096 HydrophobicContact CD2-CE2 4.2Å; Y888-F1096 AromaticContact CD2-CG 3.81Å; Y888-F1096 HydrophobicContact CD2-CG 3.81Å; Y888-F1096 AromaticContact CD2-CZ 3.73Å; Y888-F1096 HydrophobicContact CD2-CZ 3.73Å; Y888-F1096 AromaticContact CE2-CD1 3.52Å; Y888-F1096 HydrophobicContact CE2-CD1 3.52Å; Y888-F1096 AromaticContact CE2-CE1 3.75Å; Y888-F1096 HydrophobicContact CE2-CE1 3.75Å; Y888-F1096 HydrophobicContact CE2-CG 4.24Å; Y888-F1096 HydrophobicContact CG-CD1 4.21Å; Y888-F1096 AromaticContact CG-CE1 3.67Å; Y888-F1096 HydrophobicContact CG-CE1 3.67Å; Y888-F1096 AromaticContact CG-CZ 3.91Å; Y888-F1096 HydrophobicContact CG-CZ 3.91Å; A1092-F1096 WeakPolarHBondContact O-CB 3.43Å; A1092-F1096 PolarHBondContact O-N 2.97Å; H1093-F1096 PolarHBondContact O-N 3.06Å; A1094-F1096 VanDerWaalsContact C-N 3.35Å; F1096-W1099 HydrophobicContact CD2-CE3 4.32Å; F1096-W1099 HydrophobicContact CE2-CE3 4.34Å; F1096-W1099 PolarHBondContact O-N 2.92Å; F1096-L1100 HydrophobicContact CD1-CD1 4Å; F1096-L1100 HydrophobicContact CD1-CG 4.24Å; F1096-L1100 HydrophobicContact CE1-CD1 3.23Å; F1096-L1100 HydrophobicContact CE1-CD2 4.39Å; F1096-L1100 HydrophobicContact CE1-CG 3.7Å; F1096-L1100 HydrophobicContact CE2-CD2 4.39Å; F1096-L1100 HydrophobicContact CE2-CG 4.26Å; F1096-L1100 HydrophobicContact CZ-CD1 3.57Å; F1096-L1100 HydrophobicContact CZ-CD2 3.9Å; F1096-L1100 HydrophobicContact CZ-CG 3.68Å; F1096-L1100 PolarHBondContact O-N 3.42Å
1097	I	90.1	Very high	90.2	Very high	104 Å²	104	69.2 Å²	69.2	53%	0.533	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-42.8	174.8	-70.6	164.5	0	0	0	110.7	H1093 A1094 Y1101	H1093-I1097 WeakPolarHBondContact O-CB 3.39Å; H1093-I1097 WeakPolarHBondContact O-CD1 3.48Å; H1093-I1097 WeakPolarHBondContact O-CG1 3.32Å; H1093-I1097 PolarHBondContact O-N 2.89Å; A1094-I1097 PolarHBondContact O-N 3.38Å; I1097-Y1101 WeakPolarHBondContact O-CB 3.39Å; I1097-Y1101 PolarHBondContact O-N 3.23Å
1098	F	91.3	Very high	90.1	Very high	138 Å²	138	73.6 Å²	73.6	61%	0.605	35%	0.345	S	S	*	.	H	α-helix	trans	-62.1	-43.1	175.9	176.7	-97.1	0	0	0	111.7	A1094 I1095 Y1101 F1102	A1094-F1098 VanDerWaalsContact O-CB 3.23Å; A1094-F1098 WeakPolarHBondContact O-CB 3.42Å; A1094-F1098 PolarHBondContact O-N 3.24Å; I1095-F1098 PolarHBondContact O-N 3.17Å; F1098-Y1101 PolarHBondContact O-N 3.48Å; F1098-F1102 VanDerWaalsContact O-CB 3.28Å; F1098-F1102 WeakPolarHBondContact O-CB 3.36Å; F1098-F1102 PolarHBondContact O-N 3.48Å
1099	W	89.5	Confident	90.1	Very high	113 Å²	113	76.6 Å²	76.6	43%	0.428	35%	0.35	S	S	.	.	H	α-helix	trans	-64.8	-49.8	178.5	-170.1	50.3	0	0	0	111.8	Y884 I1095 F1096 Y1101 F1102 D1103	Y884-W1099 AromaticContact CD1-CH2 3.82Å; Y884-W1099 HydrophobicContact CD1-CH2 3.82Å; Y884-W1099 AromaticContact CD1-CZ3 3.84Å; Y884-W1099 HydrophobicContact CD1-CZ3 3.84Å; Y884-W1099 AromaticContact CE1-CH2 3.35Å; Y884-W1099 HydrophobicContact CE1-CH2 3.35Å; Y884-W1099 AromaticContact CE1-CZ2 3.85Å; Y884-W1099 HydrophobicContact CE1-CZ2 3.85Å; Y884-W1099 AromaticContact CE1-CZ3 3.78Å; Y884-W1099 HydrophobicContact CE1-CZ3 3.78Å; I1095-W1099 WeakPolarHBondContact O-CB 3.34Å; I1095-W1099 PolarHBondContact O-N 3.39Å; F1096-W1099 HydrophobicContact CD2-CE3 4.32Å; F1096-W1099 HydrophobicContact CE2-CE3 4.34Å; F1096-W1099 PolarHBondContact O-N 2.92Å; W1099-Y1101 VanDerWaalsContact C-N 3.33Å; W1099-Y1101 PolarHBondContact O-N 3.32Å; W1099-F1102 PolarHBondContact O-N 3.01Å; W1099-D1103 VanDerWaalsContact O-CB 3.31Å; W1099-D1103 WeakPolarHBondContact O-CB 3.44Å; W1099-D1103 PolarHBondContact O-N 3.35Å
1100	L	89	Confident	90	Very high	8 Å²	8	80.2 Å²	80.2	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-57.6	-44.2	173.2	-75.2	-170.6	0	0	0	112.1	L744 Y826 F830 Y884 F1096 A1104	L744-L1100 HydrophobicContact CD1-CD2 3.85Å; Y826-L1100 HydrophobicContact CE1-CD1 4.28Å; F830-L1100 HydrophobicContact CE1-CD1 4.04Å; F830-L1100 HydrophobicContact CE2-CD1 4.31Å; F830-L1100 HydrophobicContact CZ-CD1 3.91Å; Y884-L1100 HydrophobicContact CD2-CD2 4.3Å; Y884-L1100 HydrophobicContact CG-CD2 4.46Å; F1096-L1100 HydrophobicContact CD1-CD1 4Å; F1096-L1100 HydrophobicContact CD1-CG 4.24Å; F1096-L1100 HydrophobicContact CE1-CD1 3.23Å; F1096-L1100 HydrophobicContact CE1-CD2 4.39Å; F1096-L1100 HydrophobicContact CE1-CG 3.7Å; F1096-L1100 HydrophobicContact CE2-CD2 4.39Å; F1096-L1100 HydrophobicContact CE2-CG 4.26Å; F1096-L1100 HydrophobicContact CZ-CD1 3.57Å; F1096-L1100 HydrophobicContact CZ-CD2 3.9Å; F1096-L1100 HydrophobicContact CZ-CG 3.68Å; F1096-L1100 PolarHBondContact O-N 3.42Å; L1100-A1104 WeakPolarHBondContact O-CB 3Å; L1100-A1104 PolarHBondContact O-N 2.85Å
1101	Y	89.5	Confident	89.8	Confident	161 Å²	161	76.4 Å²	76.4	63%	0.631	35%	0.348	S	S	*	.	H	α-helix	trans	-65.3	-45.4	180	176.1	-95	0	0	0	112	I1097 F1098 W1099 S1105	I1097-Y1101 WeakPolarHBondContact O-CB 3.39Å; I1097-Y1101 PolarHBondContact O-N 3.23Å; F1098-Y1101 PolarHBondContact O-N 3.48Å; W1099-Y1101 VanDerWaalsContact C-N 3.33Å; W1099-Y1101 PolarHBondContact O-N 3.32Å; Y1101-S1105 WeakPolarHBondContact O-CB 2.91Å; Y1101-S1105 PolarHBondContact O-N 3Å; Y1101-S1105 PolarHBondContact O-OG 3.29Å
1102	F	89.6	Confident	89.6	Confident	106 Å²	106	74 Å²	74	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-65	-44.6	179.8	-177.1	-94.4	0	0	0	111	F1098 W1099 S1105 R1106	F1098-F1102 VanDerWaalsContact O-CB 3.28Å; F1098-F1102 WeakPolarHBondContact O-CB 3.36Å; F1098-F1102 PolarHBondContact O-N 3.48Å; W1099-F1102 PolarHBondContact O-N 3.01Å; F1102-S1105 CarbonylContact O-C 3.56Å; F1102-S1105 PolarHBondContact O-N 2.85Å; F1102-R1106 WeakPolarHBondContact O-CB 3.48Å; F1102-R1106 PolarHBondContact O-N 3.12Å
1103	D	89.1	Confident	89.7	Confident	18 Å²	18	77 Å²	77	10%	0.096	35%	0.348	C	S	.	.	H	α-helix	trans	-70.3	-44.1	-178.8	-165.7	51.8	0	0	0	112.1	Y884 W1099 S1105 R1106 R1107	Y884-D1103 WeakPolarHBondContact CE2-OD2 3.07Å; Y884-D1103 PolarHBondContact OH-OD2 2.98Å; W1099-D1103 VanDerWaalsContact O-CB 3.31Å; W1099-D1103 WeakPolarHBondContact O-CB 3.44Å; W1099-D1103 PolarHBondContact O-N 3.35Å; D1103-S1105 VanDerWaalsContact C-N 3.27Å; D1103-S1105 PolarHBondContact O-N 3.25Å; D1103-R1106 WeakPolarHBondContact O-CB 3.12Å; D1103-R1106 PolarHBondContact O-N 2.8Å; D1103-R1106 VanDerWaalsContact O-N 3.12Å; D1103-R1107 WeakPolarHBondContact O-CG 3.49Å; D1103-R1107 PolarHBondContact O-N 2.78Å; D1103-R1107 IonicContact OD1-NE 3.56Å; D1103-R1107 IonicContact OD1-NH2 2.84Å; D1103-R1107 IonicContact OD2-CZ 3Å; D1103-R1107 IonicContact OD2-NE 2.74Å; D1103-R1107 PolarHBondContact OD2-NE 2.77Å; D1103-R1107 IonicContact OD2-NH2 3.49Å; D1103-R1107 PolarHBondContact OD2-NH2 3.36Å
1104	A	88.3	Confident	89.6	Confident	12 Å²	12	80.1 Å²	80.1	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-57.8	-39.4	170	0	0	0	0	0	112.2	L744 L1100 R1108	L744-A1104 HydrophobicContact CD1-CB 3.95Å; L744-A1104 HydrophobicContact CD2-CB 3.87Å; L1100-A1104 WeakPolarHBondContact O-CB 3Å; L1100-A1104 PolarHBondContact O-N 2.85Å; A1104-R1108 WeakPolarHBondContact O-CB 3.24Å; A1104-R1108 PolarHBondContact O-N 3.2Å
1105	S	89	Confident	89.5	Confident	31 Å²	31	78.6 Å²	78.6	22%	0.217	35%	0.346	C	S	.	.	H	α-helix	trans	-73.9	-27.6	177.9	-62.2	0	0	0	0	112.9	Y1101 F1102 D1103 R1109	Y1101-S1105 WeakPolarHBondContact O-CB 2.91Å; Y1101-S1105 PolarHBondContact O-N 3Å; Y1101-S1105 PolarHBondContact O-OG 3.29Å; F1102-S1105 CarbonylContact O-C 3.56Å; F1102-S1105 PolarHBondContact O-N 2.85Å; D1103-S1105 VanDerWaalsContact C-N 3.27Å; D1103-S1105 PolarHBondContact O-N 3.25Å; S1105-R1109 VanDerWaalsContact O-CG 3.3Å; S1105-R1109 WeakPolarHBondContact O-CG 3.46Å; S1105-R1109 PolarHBondContact O-N 2.9Å; S1105-R1109 PolarHBondContact O-NE 3.27Å
1106	R	89.5	Confident	89.5	Confident	129 Å²	129	79.4 Å²	79.4	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-69.3	-58.8	171.4	178.2	-175.7	172.5	-176.4	-3.3	110.1	F1102 D1103 R1108 R1109 E1110	F1102-R1106 WeakPolarHBondContact O-CB 3.48Å; F1102-R1106 PolarHBondContact O-N 3.12Å; D1103-R1106 WeakPolarHBondContact O-CB 3.12Å; D1103-R1106 PolarHBondContact O-N 2.8Å; D1103-R1106 VanDerWaalsContact O-N 3.12Å; R1106-R1108 VanDerWaalsContact C-N 3.29Å; R1106-R1108 PolarHBondContact O-N 2.8Å; R1106-R1109 WeakPolarHBondContact O-CA 3.48Å; R1106-R1109 WeakPolarHBondContact O-CB 3.3Å; R1106-R1109 PolarHBondContact O-N 3.05Å; R1106-E1110 WeakPolarHBondContact CG-OE1 3.29Å; R1106-E1110 IonicContact CZ-OE1 2.9Å; R1106-E1110 IonicContact NE-OE1 3.74Å; R1106-E1110 PolarHBondContact NE-OE1 3.4Å; R1106-E1110 IonicContact NH2-OE1 3.06Å; R1106-E1110 PolarHBondContact NH2-OE1 3.3Å; R1106-E1110 PolarHBondContact O-N 3.42Å
1107	R	87.1	Confident	89.5	Confident	44 Å²	44	82.3 Å²	82.3	17%	0.166	36%	0.362	C	S	.	.	H	α-helix	trans	-53.5	-44.7	178.6	-65.6	167.8	-168.9	-98.6	-14.5	112.1	D741 L744 Y884 D1103 R1109 E1110 M1111	D741-R1107 VanDerWaalsContact CG-CZ 3.41Å; D741-R1107 IonicContact OD1-CZ 3.77Å; D741-R1107 IonicContact OD1-NH2 3.74Å; D741-R1107 PolarHBondContact OD1-NH2 3.48Å; D741-R1107 IonicContact OD2-CZ 2.89Å; D741-R1107 IonicContact OD2-NH1 3.83Å; D741-R1107 PolarHBondContact OD2-NH1 2.84Å; D741-R1107 IonicContact OD2-NH2 3.92Å; D741-R1107 PolarHBondContact OD2-NH2 3.35Å; L744-R1107 PolarHBondContact O-NH1 2.8Å; Y884-R1107 PolarHBondContact OH-NH2 3.36Å; D1103-R1107 WeakPolarHBondContact O-CG 3.49Å; D1103-R1107 PolarHBondContact O-N 2.78Å; D1103-R1107 IonicContact OD1-NE 3.56Å; D1103-R1107 IonicContact OD1-NH2 2.84Å; D1103-R1107 IonicContact OD2-CZ 3Å; D1103-R1107 IonicContact OD2-NE 2.74Å; D1103-R1107 PolarHBondContact OD2-NE 2.77Å; D1103-R1107 IonicContact OD2-NH2 3.49Å; D1103-R1107 PolarHBondContact OD2-NH2 3.36Å; R1107-R1109 VanDerWaalsContact C-N 3.32Å; R1107-R1109 PolarHBondContact O-N 2.88Å; R1107-E1110 PolarHBondContact O-N 3.45Å; R1107-M1111 WeakPolarHBondContact O-CG 3.44Å; R1107-M1111 PolarHBondContact O-N 3.48Å
1108	R	87.7	Confident	89.3	Confident	171 Å²	171	78.6 Å²	78.6	65%	0.645	34%	0.342	S	S	*	.	H	α-helix	trans	-61.3	-38.5	177.6	-170.4	-177.4	-60.2	178.4	2.5	112.2	A1104 R1106 T1112	A1104-R1108 WeakPolarHBondContact O-CB 3.24Å; A1104-R1108 PolarHBondContact O-N 3.2Å; R1106-R1108 VanDerWaalsContact C-N 3.29Å; R1106-R1108 PolarHBondContact O-N 2.8Å; R1108-T1112 WeakPolarHBondContact O-CB 3.49Å; R1108-T1112 PolarHBondContact O-N 3.04Å; R1108-T1112 PolarHBondContact O-OG1 3.21Å
1109	R	90.5	Very high	89.2	Confident	153 Å²	153	78.3 Å²	78.3	58%	0.577	34%	0.337	S	S	*	.	H	α-helix	trans	-68	-46.1	174.7	-77.6	178.7	-70	168.6	-0.2	111.3	S1105 R1106 R1107 T1112 Q1113	S1105-R1109 VanDerWaalsContact O-CG 3.3Å; S1105-R1109 WeakPolarHBondContact O-CG 3.46Å; S1105-R1109 PolarHBondContact O-N 2.9Å; S1105-R1109 PolarHBondContact O-NE 3.27Å; R1106-R1109 WeakPolarHBondContact O-CA 3.48Å; R1106-R1109 WeakPolarHBondContact O-CB 3.3Å; R1106-R1109 PolarHBondContact O-N 3.05Å; R1107-R1109 VanDerWaalsContact C-N 3.32Å; R1107-R1109 PolarHBondContact O-N 2.88Å; R1109-T1112 PolarHBondContact O-N 2.7Å; R1109-Q1113 WeakPolarHBondContact O-CB 3.3Å; R1109-Q1113 PolarHBondContact O-N 3.09Å
1110	E	90.2	Very high	89.2	Confident	88 Å²	88	74.3 Å²	74.3	41%	0.411	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-49	178.7	-69.5	171	177.7	0	0	111.7	R1106 R1107 Q1113 K1114	R1106-E1110 WeakPolarHBondContact CG-OE1 3.29Å; R1106-E1110 IonicContact CZ-OE1 2.9Å; R1106-E1110 IonicContact NE-OE1 3.74Å; R1106-E1110 PolarHBondContact NE-OE1 3.4Å; R1106-E1110 IonicContact NH2-OE1 3.06Å; R1106-E1110 PolarHBondContact NH2-OE1 3.3Å; R1106-E1110 PolarHBondContact O-N 3.42Å; R1107-E1110 PolarHBondContact O-N 3.45Å; E1110-Q1113 WeakPolarHBondContact O-CB 3.25Å; E1110-Q1113 PolarHBondContact O-N 2.94Å; E1110-K1114 PolarHBondContact O-N 2.94Å
1111	M	87.8	Confident	89.2	Confident	23 Å²	23	78 Å²	78	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-68.3	-37.2	178	-63.4	-64.1	168.5	0	0	112.8	V746 H788 R1107 Q1113 K1114 D1115	V746-M1111 HydrophobicContact CB-CE 4.05Å; V746-M1111 HydrophobicContact CG1-CE 3.76Å; V746-M1111 HydrophobicContact CG1-SD 4.27Å; V746-M1111 HydrophobicContact CG2-CE 4.16Å; H788-M1111 VanDerWaalsContact CE1-CB 3.48Å; H788-M1111 WeakPolarHBondContact CE1-CB 3.36Å; R1107-M1111 WeakPolarHBondContact O-CG 3.44Å; R1107-M1111 PolarHBondContact O-N 3.48Å; M1111-Q1113 PolarHBondContact O-N 3.18Å; M1111-K1114 PolarHBondContact O-N 3.08Å; M1111-K1114 HydrophobicContact SD-CD 4.24Å; M1111-D1115 PolarHBondContact O-N 3.02Å
1112	T	88.7	Confident	89	Confident	53 Å²	53	71.6 Å²	71.6	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-30.8	173.4	-56.8	0	0	0	0	111.6	R1108 R1109 K1116	R1108-T1112 WeakPolarHBondContact O-CB 3.49Å; R1108-T1112 PolarHBondContact O-N 3.04Å; R1108-T1112 PolarHBondContact O-OG1 3.21Å; R1109-T1112 PolarHBondContact O-N 2.7Å; T1112-K1116 VanDerWaalsContact O-CG 3.31Å; T1112-K1116 WeakPolarHBondContact O-CG 3.49Å; T1112-K1116 PolarHBondContact O-N 3.31Å; T1112-K1116 VanDerWaalsContact O-N 3.17Å
1113	Q	91.5	Very high	88.9	Confident	84 Å²	84	72 Å²	72	39%	0.393	32%	0.323	S	S	.	.	H	α-helix	trans	-71.4	-45.7	174.9	-172.5	54.6	38.7	0	0	110.8	R1109 E1110 M1111 D1115 K1116 D1117	R1109-Q1113 WeakPolarHBondContact O-CB 3.3Å; R1109-Q1113 PolarHBondContact O-N 3.09Å; E1110-Q1113 WeakPolarHBondContact O-CB 3.25Å; E1110-Q1113 PolarHBondContact O-N 2.94Å; M1111-Q1113 PolarHBondContact O-N 3.18Å; Q1113-D1115 VanDerWaalsContact C-N 3.33Å; Q1113-D1115 PolarHBondContact O-N 3.13Å; Q1113-K1116 WeakPolarHBondContact O-CB 3.47Å; Q1113-K1116 PolarHBondContact O-N 3.21Å; Q1113-D1117 WeakPolarHBondContact CG-OD2 3.42Å; Q1113-D1117 VanDerWaalsContact NE2-CG 3.25Å; Q1113-D1117 PolarHBondContact NE2-OD1 3.15Å; Q1113-D1117 PolarHBondContact NE2-OD2 2.91Å; Q1113-D1117 VanDerWaalsContact O-CG 3.31Å; Q1113-D1117 PolarHBondContact O-N 3.49Å
1114	K	89.7	Confident	88.9	Confident	71 Å²	71	77.9 Å²	77.9	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-54.4	-45.2	171.8	-71.8	-170.5	175.8	-168.7	0	112.8	E792 R817 E1110 M1111 K1116 D1117 Y1118	E792-K1114 IonicContact OE1-NZ 2.62Å; E792-K1114 PolarHBondContact OE1-NZ 3.47Å; R817-K1114 VanDerWaalsContact NE-NZ 3.19Å; E1110-K1114 PolarHBondContact O-N 2.94Å; M1111-K1114 PolarHBondContact O-N 3.08Å; M1111-K1114 HydrophobicContact SD-CD 4.24Å; K1114-K1116 VanDerWaalsContact C-N 3.34Å; K1114-K1116 PolarHBondContact O-N 2.89Å; K1114-D1117 PolarHBondContact O-N 3.08Å; K1114-Y1118 VanDerWaalsContact O-CB 3.3Å; K1114-Y1118 WeakPolarHBondContact O-CB 3.35Å; K1114-Y1118 PolarHBondContact O-N 2.84Å
1115	D	89.2	Confident	88.8	Confident	19 Å²	19	79.1 Å²	79.1	10%	0.102	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-39.8	176.4	-71.8	-25.9	0	0	0	112.3	H788 E789 H790 M1111 Q1113 R1119	H788-D1115 IonicContact CE1-OD2 3.89Å; H788-D1115 IonicContact CG-OD1 3.92Å; H788-D1115 IonicContact CG-OD2 3.15Å; H788-D1115 IonicContact ND1-OD1 3.21Å; H788-D1115 PolarHBondContact ND1-OD1 3.1Å; H788-D1115 IonicContact ND1-OD2 2.74Å; H788-D1115 PolarHBondContact ND1-OD2 3.49Å; E789-D1115 PolarHBondContact N-OD1 3.4Å; H790-D1115 IonicContact CE1-OD1 3.81Å; H790-D1115 IonicContact CG-OD1 3.71Å; H790-D1115 IonicContact ND1-OD1 2.7Å; H790-D1115 PolarHBondContact ND1-OD1 2.91Å; M1111-D1115 PolarHBondContact O-N 3.02Å; Q1113-D1115 VanDerWaalsContact C-N 3.33Å; Q1113-D1115 PolarHBondContact O-N 3.13Å; D1115-R1119 WeakPolarHBondContact O-CB 3.49Å; D1115-R1119 VanDerWaalsContact O-CG 3.24Å; D1115-R1119 WeakPolarHBondContact O-CG 3.42Å; D1115-R1119 PolarHBondContact O-N 3.31Å
1116	K	90.3	Very high	88.6	Confident	119 Å²	119	84.3 Å²	84.3	52%	0.517	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-45.4	175.2	-73.9	169.5	-179.9	178.2	0	111.9	T1112 Q1113 K1114 Y1118 R1119 A1120	T1112-K1116 VanDerWaalsContact O-CG 3.31Å; T1112-K1116 WeakPolarHBondContact O-CG 3.49Å; T1112-K1116 PolarHBondContact O-N 3.31Å; T1112-K1116 VanDerWaalsContact O-N 3.17Å; Q1113-K1116 WeakPolarHBondContact O-CB 3.47Å; Q1113-K1116 PolarHBondContact O-N 3.21Å; K1114-K1116 VanDerWaalsContact C-N 3.34Å; K1114-K1116 PolarHBondContact O-N 2.89Å; K1116-Y1118 VanDerWaalsContact C-N 3.34Å; K1116-R1119 PolarHBondContact O-N 3.16Å; K1116-A1120 WeakPolarHBondContact O-CB 3.45Å; K1116-A1120 PolarHBondContact O-N 3.21Å
1117	D	91.2	Very high	88.6	Confident	84 Å²	84	84.1 Å²	84.1	45%	0.449	37%	0.368	S	S	.	.	H	α-helix	trans	-66.7	-39	-177.8	-66.5	-32.2	0	0	0	111	Q1113 K1114 A1120 F1121	Q1113-D1117 WeakPolarHBondContact CG-OD2 3.42Å; Q1113-D1117 VanDerWaalsContact NE2-CG 3.25Å; Q1113-D1117 PolarHBondContact NE2-OD1 3.15Å; Q1113-D1117 PolarHBondContact NE2-OD2 2.91Å; Q1113-D1117 VanDerWaalsContact O-CG 3.31Å; Q1113-D1117 PolarHBondContact O-N 3.49Å; K1114-D1117 PolarHBondContact O-N 3.08Å; D1117-A1120 PolarHBondContact O-N 2.67Å; D1117-F1121 WeakPolarHBondContact O-CB 3.44Å; D1117-F1121 PolarHBondContact O-N 3.34Å
1118	Y	87.5	Confident	88.4	Confident	25 Å²	25	89.2 Å²	89.2	10%	0.098	39%	0.388	C	S	.	.	H	α-helix	trans	-64.4	-45.8	171.7	-176.8	-103.6	0	0	0	112.2	S772 E789 H790 V791 K1114 K1116 A1120 F1121 L1122	S772-Y1118 PolarHBondContact O-OH 3.26Å; E789-Y1118 HydrophobicContact CG-CD1 4.1Å; E789-Y1118 HydrophobicContact CG-CE1 4.03Å; E789-Y1118 WeakPolarHBondContact O-CE1 3.45Å; H790-Y1118 HydrophobicContact CB-CD1 4.21Å; H790-Y1118 HydrophobicContact CB-CD2 4.15Å; H790-Y1118 HydrophobicContact CB-CG 3.76Å; V791-Y1118 HydrophobicContact CB-CE2 4.2Å; K1114-Y1118 VanDerWaalsContact O-CB 3.3Å; K1114-Y1118 WeakPolarHBondContact O-CB 3.35Å; K1114-Y1118 PolarHBondContact O-N 2.84Å; K1116-Y1118 VanDerWaalsContact C-N 3.34Å; Y1118-A1120 VanDerWaalsContact C-N 3.34Å; Y1118-A1120 PolarHBondContact O-N 3.31Å; Y1118-F1121 WeakPolarHBondContact O-CB 3.23Å; Y1118-F1121 PolarHBondContact O-N 2.95Å; Y1118-L1122 HydrophobicContact CD1-CD1 3.93Å; Y1118-L1122 HydrophobicContact CD1-CG 4.21Å; Y1118-L1122 HydrophobicContact CE1-CD1 3.43Å; Y1118-L1122 VanDerWaalsContact CE1-CD1 3.43Å; Y1118-L1122 HydrophobicContact CE1-CD2 4.4Å; Y1118-L1122 HydrophobicContact CE1-CG 3.9Å; Y1118-L1122 WeakPolarHBondContact O-CG 3.47Å; Y1118-L1122 PolarHBondContact O-N 3.44Å
1119	R	88.2	Confident	88.1	Confident	133 Å²	133	83.1 Å²	83.1	50%	0.502	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-41.5	174.1	-76.8	172.4	178.1	-176.4	3.3	112.5	E789 D1115 K1116 F1121 L1122 Q1123	E789-R1119 WeakPolarHBondContact OE1-CG 3.31Å; E789-R1119 IonicContact OE1-NE 3.83Å; E789-R1119 IonicContact OE2-CZ 2.72Å; E789-R1119 IonicContact OE2-NE 3.23Å; E789-R1119 PolarHBondContact OE2-NE 3.35Å; E789-R1119 IonicContact OE2-NH2 2.6Å; E789-R1119 PolarHBondContact OE2-NH2 2.92Å; D1115-R1119 WeakPolarHBondContact O-CB 3.49Å; D1115-R1119 VanDerWaalsContact O-CG 3.24Å; D1115-R1119 WeakPolarHBondContact O-CG 3.42Å; D1115-R1119 PolarHBondContact O-N 3.31Å; K1116-R1119 PolarHBondContact O-N 3.16Å; R1119-F1121 VanDerWaalsContact C-N 3.35Å; R1119-L1122 PolarHBondContact O-N 3.04Å; R1119-Q1123 WeakPolarHBondContact O-CB 3.49Å; R1119-Q1123 WeakPolarHBondContact O-CG 3.45Å; R1119-Q1123 PolarHBondContact O-N 3.05Å
1120	A	90.6	Very high	87.8	Confident	28 Å²	28	80.4 Å²	80.4	23%	0.231	36%	0.364	C	S	.	.	H	α-helix	trans	-65.3	-38	175.6	0	0	0	0	0	111.8	K1116 D1117 Y1118 Q1123 R1124	K1116-A1120 WeakPolarHBondContact O-CB 3.45Å; K1116-A1120 PolarHBondContact O-N 3.21Å; D1117-A1120 PolarHBondContact O-N 2.67Å; Y1118-A1120 VanDerWaalsContact C-N 3.34Å; Y1118-A1120 PolarHBondContact O-N 3.31Å; A1120-Q1123 PolarHBondContact O-N 3.27Å; A1120-R1124 WeakPolarHBondContact O-CG 3.45Å; A1120-R1124 PolarHBondContact O-N 3.39Å
1121	F	87.4	Confident	87.6	Confident	85 Å²	85	79.3 Å²	79.3	37%	0.373	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-48.5	171.3	171.3	-105	0	0	0	112	M771 D1117 Y1118 R1119 Q1123 R1124 N1125	M771-F1121 HydrophobicContact SD-CD1 4.27Å; M771-F1121 HydrophobicContact SD-CE1 3.5Å; M771-F1121 WeakPolarHBondContact SD-CE1 3.48Å; M771-F1121 HydrophobicContact SD-CZ 4.02Å; D1117-F1121 WeakPolarHBondContact O-CB 3.44Å; D1117-F1121 PolarHBondContact O-N 3.34Å; Y1118-F1121 WeakPolarHBondContact O-CB 3.23Å; Y1118-F1121 PolarHBondContact O-N 2.95Å; R1119-F1121 VanDerWaalsContact C-N 3.35Å; F1121-Q1123 VanDerWaalsContact C-N 3.26Å; F1121-Q1123 PolarHBondContact O-N 3.37Å; F1121-R1124 PolarHBondContact O-N 3.13Å; F1121-N1125 WeakPolarHBondContact CE1-ND2 3.34Å; F1121-N1125 VanDerWaalsContact CE2-ND2 3.26Å; F1121-N1125 WeakPolarHBondContact CE2-ND2 3.39Å; F1121-N1125 WeakPolarHBondContact CZ-ND2 3.42Å; F1121-N1125 PolarHBondContact O-N 3.18Å; F1121-N1125 PolarHBondContact O-OD1 3.42Å
1122	L	85.6	Confident	87.3	Confident	27 Å²	27	80.9 Å²	80.9	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-32.2	174.3	-69.6	-173.9	0	0	0	113.1	M771 Y1118 R1119 R1126	M771-L1122 HydrophobicContact CE-CD2 3.48Å; M771-L1122 VanDerWaalsContact CE-CD2 3.48Å; M771-L1122 HydrophobicContact SD-CD2 3.84Å; Y1118-L1122 HydrophobicContact CD1-CD1 3.93Å; Y1118-L1122 HydrophobicContact CD1-CG 4.21Å; Y1118-L1122 HydrophobicContact CE1-CD1 3.43Å; Y1118-L1122 VanDerWaalsContact CE1-CD1 3.43Å; Y1118-L1122 HydrophobicContact CE1-CD2 4.4Å; Y1118-L1122 HydrophobicContact CE1-CG 3.9Å; Y1118-L1122 WeakPolarHBondContact O-CG 3.47Å; Y1118-L1122 PolarHBondContact O-N 3.44Å; R1119-L1122 PolarHBondContact O-N 3.04Å; L1122-R1126 WeakPolarHBondContact O-CB 3.43Å; L1122-R1126 WeakPolarHBondContact O-CG 3.39Å; L1122-R1126 PolarHBondContact O-N 3.3Å; L1122-R1126 PolarHBondContact O-NE 3.36Å
1123	Q	88.7	Confident	86.9	Confident	115 Å²	115	85 Å²	85	54%	0.537	38%	0.383	S	S	.	.	H	α-helix	trans	-70.2	-48	173.2	-77.8	175.6	-20.3	0	0	111.5	R1119 A1120 F1121 N1125 R1126 Q1127	R1119-Q1123 WeakPolarHBondContact O-CB 3.49Å; R1119-Q1123 WeakPolarHBondContact O-CG 3.45Å; R1119-Q1123 PolarHBondContact O-N 3.05Å; A1120-Q1123 PolarHBondContact O-N 3.27Å; F1121-Q1123 VanDerWaalsContact C-N 3.26Å; F1121-Q1123 PolarHBondContact O-N 3.37Å; Q1123-N1125 VanDerWaalsContact C-N 3.34Å; Q1123-N1125 PolarHBondContact O-N 3.1Å; Q1123-R1126 PolarHBondContact O-N 3.42Å; Q1123-Q1127 WeakPolarHBondContact O-CG 3.46Å; Q1123-Q1127 PolarHBondContact O-N 3.16Å
1124	R	89.3	Confident	86.2	Confident	142 Å²	142	86.3 Å²	86.3	54%	0.536	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-42.8	175.9	-74.7	-172.6	-61.7	-105.6	1	112	A1120 F1121 Q1127 W1128	A1120-R1124 WeakPolarHBondContact O-CG 3.45Å; A1120-R1124 PolarHBondContact O-N 3.39Å; F1121-R1124 PolarHBondContact O-N 3.13Å; R1124-Q1127 WeakPolarHBondContact O-CB 3.3Å; R1124-Q1127 PolarHBondContact O-N 3.2Å; R1124-W1128 WeakPolarHBondContact O-CB 3.4Å; R1124-W1128 PolarHBondContact O-N 2.99Å
1125	N	85.2	Confident	85.7	Confident	37 Å²	37	87.9 Å²	87.9	20%	0.198	40%	0.397	C	S	.	.	H	α-helix	trans	-69.4	-38.4	-179.5	-68	6.6	0	0	0	111.6	M771 F1121 Q1123 W1128 Q1129	M771-N1125 HydrophobicContact CE-CB 3.75Å; M771-N1125 HydrophobicContact SD-CB 4.27Å; M771-N1125 PolarHBondContact SD-ND2 3.48Å; F1121-N1125 WeakPolarHBondContact CE1-ND2 3.34Å; F1121-N1125 VanDerWaalsContact CE2-ND2 3.26Å; F1121-N1125 WeakPolarHBondContact CE2-ND2 3.39Å; F1121-N1125 WeakPolarHBondContact CZ-ND2 3.42Å; F1121-N1125 PolarHBondContact O-N 3.18Å; F1121-N1125 PolarHBondContact O-OD1 3.42Å; Q1123-N1125 VanDerWaalsContact C-N 3.34Å; Q1123-N1125 PolarHBondContact O-N 3.1Å; N1125-W1128 PolarHBondContact O-N 3.4Å; N1125-Q1129 WeakPolarHBondContact O-CB 3.46Å; N1125-Q1129 VanDerWaalsContact O-CG 3.31Å; N1125-Q1129 WeakPolarHBondContact O-CG 3.35Å; N1125-Q1129 PolarHBondContact O-N 2.9Å
1126	R	85.3	Confident	84.7	Confident	140 Å²	140	89.6 Å²	89.6	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-40.9	170.9	-78.5	-179	-76.1	-170	-4.7	112.5	L1122 Q1123 N1130	L1122-R1126 WeakPolarHBondContact O-CB 3.43Å; L1122-R1126 WeakPolarHBondContact O-CG 3.39Å; L1122-R1126 PolarHBondContact O-N 3.3Å; L1122-R1126 PolarHBondContact O-NE 3.36Å; Q1123-R1126 PolarHBondContact O-N 3.42Å; R1126-N1130 WeakPolarHBondContact O-CB 3.49Å; R1126-N1130 PolarHBondContact O-N 3.41Å; R1126-N1130 PolarHBondContact O-ND2 3.48Å
1127	Q	88	Confident	83.7	Confident	125 Å²	125	88.2 Å²	88.2	58%	0.584	40%	0.402	S	S	*	.	H	α-helix	trans	-62.7	-42.6	173.6	-75.5	174.9	-18.2	0	0	111.8	Q1123 R1124 N1130 T1131	Q1123-Q1127 WeakPolarHBondContact O-CG 3.46Å; Q1123-Q1127 PolarHBondContact O-N 3.16Å; R1124-Q1127 WeakPolarHBondContact O-CB 3.3Å; R1124-Q1127 PolarHBondContact O-N 3.2Å; Q1127-N1130 PolarHBondContact O-N 2.95Å; Q1127-T1131 WeakPolarHBondContact O-CB 3.42Å; Q1127-T1131 PolarHBondContact O-N 2.78Å; Q1127-T1131 PolarHBondContact O-OG1 3.18Å
1128	W	83.4	Confident	82.7	Confident	151 Å²	151	90.1 Å²	90.1	57%	0.572	41%	0.408	S	S	*	.	H	α-helix	trans	-63.1	-48.6	177.1	-174.7	82.9	0	0	0	111.4	R1124 N1125 N1130 T1131 E1132	R1124-W1128 WeakPolarHBondContact O-CB 3.4Å; R1124-W1128 PolarHBondContact O-N 2.99Å; N1125-W1128 PolarHBondContact O-N 3.4Å; W1128-N1130 VanDerWaalsContact C-N 3.34Å; W1128-N1130 PolarHBondContact O-N 3.02Å; W1128-T1131 CarbonylContact O-C 3.59Å; W1128-T1131 WeakPolarHBondContact O-CA 3.45Å; W1128-T1131 WeakPolarHBondContact O-CB 3.34Å; W1128-T1131 PolarHBondContact O-N 3.09Å; W1128-E1132 PolarHBondContact O-N 3.39Å
1129	Q	81.1	Confident	81.6	Confident	44 Å²	44	91.8 Å²	91.8	21%	0.206	43%	0.427	C	S	.	.	H	α-helix	trans	-59.1	-40.9	174.9	-72.9	176.5	-1.1	0	0	113	V769 N1125 T1131 E1132 K1133	V769-Q1129 PolarHBondContact O-NE2 3.46Å; N1125-Q1129 WeakPolarHBondContact O-CB 3.46Å; N1125-Q1129 VanDerWaalsContact O-CG 3.31Å; N1125-Q1129 WeakPolarHBondContact O-CG 3.35Å; N1125-Q1129 PolarHBondContact O-N 2.9Å; Q1129-T1131 VanDerWaalsContact C-N 3.32Å; Q1129-E1132 PolarHBondContact O-N 3.44Å; Q1129-K1133 WeakPolarHBondContact O-CB 3.43Å; Q1129-K1133 VanDerWaalsContact O-CG 3.3Å; Q1129-K1133 WeakPolarHBondContact O-CG 3.15Å; Q1129-K1133 PolarHBondContact O-N 2.93Å
1130	N	85.2	Confident	80.3	Confident	95 Å²	95	91.3 Å²	91.3	51%	0.508	44%	0.439	S	S	.	.	H	α-helix	trans	-67.6	-34	175	-71.7	-10.5	0	0	0	112	R1126 Q1127 W1128 Q1134	R1126-N1130 WeakPolarHBondContact O-CB 3.49Å; R1126-N1130 PolarHBondContact O-N 3.41Å; R1126-N1130 PolarHBondContact O-ND2 3.48Å; Q1127-N1130 PolarHBondContact O-N 2.95Å; W1128-N1130 VanDerWaalsContact C-N 3.34Å; W1128-N1130 PolarHBondContact O-N 3.02Å; N1130-Q1134 WeakPolarHBondContact O-CB 3.24Å; N1130-Q1134 VanDerWaalsContact O-CG 3.31Å; N1130-Q1134 WeakPolarHBondContact O-CG 3.32Å; N1130-Q1134 PolarHBondContact O-N 3.19Å
1131	T	86.1	Confident	78.5	Confident	66 Å²	66	97.2 Å²	97.2	41%	0.405	46%	0.459	S	S	.	.	H	α-helix	trans	-69.6	-41	176.5	-54.8	0	0	0	0	111.1	Q1127 W1128 Q1129 Q1134 K1135	Q1127-T1131 WeakPolarHBondContact O-CB 3.42Å; Q1127-T1131 PolarHBondContact O-N 2.78Å; Q1127-T1131 PolarHBondContact O-OG1 3.18Å; W1128-T1131 CarbonylContact O-C 3.59Å; W1128-T1131 WeakPolarHBondContact O-CA 3.45Å; W1128-T1131 WeakPolarHBondContact O-CB 3.34Å; W1128-T1131 PolarHBondContact O-N 3.09Å; Q1129-T1131 VanDerWaalsContact C-N 3.32Å; T1131-Q1134 PolarHBondContact O-N 2.93Å; T1131-K1135 WeakPolarHBondContact O-CG 3.38Å; T1131-K1135 PolarHBondContact O-N 3.01Å
1132	E	81.9	Confident	76.3	Confident	56 Å²	56	102.7 Å²	102.7	26%	0.262	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-52.6	175.9	-135.3	60.9	-155.1	0	0	110.2	W1128 Q1129 Q1134 K1135 D1136	W1128-E1132 PolarHBondContact O-N 3.39Å; Q1129-E1132 PolarHBondContact O-N 3.44Å; E1132-Q1134 PolarHBondContact O-N 3.08Å; E1132-K1135 CarbonylContact O-C 3.56Å; E1132-K1135 WeakPolarHBondContact O-CA 3.12Å; E1132-K1135 VanDerWaalsContact O-CB 3.32Å; E1132-K1135 WeakPolarHBondContact O-CB 3.15Å; E1132-K1135 PolarHBondContact O-N 3.11Å; E1132-K1135 WeakPolarHBondContact OE1-CD 3.46Å; E1132-K1135 IonicContact OE1-NZ 2.71Å; E1132-K1135 PolarHBondContact OE1-NZ 3.04Å; E1132-K1135 IonicContact OE2-NZ 2.77Å; E1132-K1135 PolarHBondContact OE2-NZ 2.65Å; E1132-D1136 VanDerWaalsContact C-OD2 3.23Å; E1132-D1136 PolarHBondContact O-N 2.06Å
1133	K	79	Confident	74.3	Confident	138 Å²	138	106.3 Å²	106.3	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-52.4	-34.4	173.5	-71.8	174.5	179.4	-178.9	0	113.6	Q1129 M1137	Q1129-K1133 WeakPolarHBondContact O-CB 3.43Å; Q1129-K1133 VanDerWaalsContact O-CG 3.3Å; Q1129-K1133 WeakPolarHBondContact O-CG 3.15Å; Q1129-K1133 PolarHBondContact O-N 2.93Å; K1133-M1137 WeakPolarHBondContact O-CB 3.49Å; K1133-M1137 PolarHBondContact O-N 3.44Å
1134	Q	78.1	Confident	72.1	Confident	113 Å²	113	108.7 Å²	108.7	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-70.6	-42	173	-79.8	179.8	1.7	0	0	112.8	N1130 T1131 E1132 D1136 M1137 H1138	N1130-Q1134 WeakPolarHBondContact O-CB 3.24Å; N1130-Q1134 VanDerWaalsContact O-CG 3.31Å; N1130-Q1134 WeakPolarHBondContact O-CG 3.32Å; N1130-Q1134 PolarHBondContact O-N 3.19Å; T1131-Q1134 PolarHBondContact O-N 2.93Å; E1132-Q1134 PolarHBondContact O-N 3.08Å; Q1134-D1136 VanDerWaalsContact C-N 3.3Å; Q1134-D1136 PolarHBondContact O-N 2.92Å; Q1134-M1137 PolarHBondContact O-N 3.48Å; Q1134-H1138 WeakPolarHBondContact O-CB 3.11Å; Q1134-H1138 PolarHBondContact O-CD2 2.93Å; Q1134-H1138 PolarHBondContact O-N 2.95Å
1135	K	77.8	Confident	69.9	Low	104 Å²	104	108.3 Å²	108.3	45%	0.452	53%	0.526	S	S	.	.	H	α-helix	trans	-59.4	-43	172.9	-66.8	170.1	-172.5	163.4	0	110.9	T1131 E1132 H1138 A1139	T1131-K1135 WeakPolarHBondContact O-CG 3.38Å; T1131-K1135 PolarHBondContact O-N 3.01Å; E1132-K1135 CarbonylContact O-C 3.56Å; E1132-K1135 WeakPolarHBondContact O-CA 3.12Å; E1132-K1135 VanDerWaalsContact O-CB 3.32Å; E1132-K1135 WeakPolarHBondContact O-CB 3.15Å; E1132-K1135 PolarHBondContact O-N 3.11Å; E1132-K1135 WeakPolarHBondContact OE1-CD 3.46Å; E1132-K1135 IonicContact OE1-NZ 2.71Å; E1132-K1135 PolarHBondContact OE1-NZ 3.04Å; E1132-K1135 IonicContact OE2-NZ 2.77Å; E1132-K1135 PolarHBondContact OE2-NZ 2.65Å; K1135-H1138 CarbonylContact O-C 3.59Å; K1135-H1138 PolarHBondContact O-N 3.21Å; K1135-H1138 VanDerWaalsContact O-N 3.15Å; K1135-A1139 WeakPolarHBondContact O-CB 3.45Å; K1135-A1139 PolarHBondContact O-N 3.19Å
1136	D	69.8	Low	67.7	Low	55 Å²	55	115.9 Å²	115.9	29%	0.294	56%	0.56	S	S	.	*	H	α-helix	trans	-67.3	-41.8	-177.9	-53.6	-34	0	0	0	110.7	E1132 Q1134 H1138 A1139 T1140	E1132-D1136 VanDerWaalsContact C-OD2 3.23Å; E1132-D1136 PolarHBondContact O-N 2.06Å; Q1134-D1136 VanDerWaalsContact C-N 3.3Å; Q1134-D1136 PolarHBondContact O-N 2.92Å; D1136-H1138 PolarHBondContact O-N 3.16Å; D1136-A1139 PolarHBondContact O-N 3.32Å; D1136-T1140 WeakPolarHBondContact O-CB 3.08Å; D1136-T1140 PolarHBondContact O-N 3.28Å; D1136-T1140 PolarHBondContact O-OG1 3.2Å
1137	M	69.2	Low	65.5	Low	89 Å²	89	119.3 Å²	119.3	44%	0.438	57%	0.573	S	S	.	*	H	α-helix	trans	-61.2	-40.8	169.9	-174.8	-178.8	60.9	0	0	112.4	K1133 Q1134 K1141	K1133-M1137 WeakPolarHBondContact O-CB 3.49Å; K1133-M1137 PolarHBondContact O-N 3.44Å; Q1134-M1137 PolarHBondContact O-N 3.48Å; M1137-K1141 HydrophobicContact CG-CD 4.2Å; M1137-K1141 WeakPolarHBondContact O-CB 3.34Å; M1137-K1141 WeakPolarHBondContact O-CG 3.29Å; M1137-K1141 PolarHBondContact O-N 3.35Å
1138	H	68.9	Low	63.1	Low	125 Å²	125	119 Å²	119	58%	0.579	57%	0.572	S	S	*	*	H	α-helix	trans	-72.9	-31.3	177.9	-85.6	-69.1	0	0	0	113.5	Q1134 K1135 D1136 R1142	Q1134-H1138 WeakPolarHBondContact O-CB 3.11Å; Q1134-H1138 PolarHBondContact O-CD2 2.93Å; Q1134-H1138 PolarHBondContact O-N 2.95Å; K1135-H1138 CarbonylContact O-C 3.59Å; K1135-H1138 PolarHBondContact O-N 3.21Å; K1135-H1138 VanDerWaalsContact O-N 3.15Å; D1136-H1138 PolarHBondContact O-N 3.16Å; H1138-R1142 PolarHBondContact O-N 3.21Å
1139	A	65.7	Low	60.8	Low	60 Å²	60	122.5 Å²	122.5	50%	0.496	59%	0.591	S	S	.	*	H	α-helix	trans	-66.8	-46.3	172.7	0	0	0	0	0	110.4	K1135 D1136 K1141 R1142	K1135-A1139 WeakPolarHBondContact O-CB 3.45Å; K1135-A1139 PolarHBondContact O-N 3.19Å; D1136-A1139 PolarHBondContact O-N 3.32Å; A1139-K1141 VanDerWaalsContact C-N 3.32Å; A1139-K1141 PolarHBondContact O-N 3.3Å; A1139-R1142 PolarHBondContact O-N 3.06Å
1140	T	59.8	Low	58.8	Low	123 Å²	123	123.8 Å²	123.8	76%	0.755	62%	0.616	S	S	*	*	H	α-helix	trans	-66.4	-30.7	178	-50.8	0	0	0	0	112.6	D1136	D1136-T1140 WeakPolarHBondContact O-CB 3.08Å; D1136-T1140 PolarHBondContact O-N 3.28Å; D1136-T1140 PolarHBondContact O-OG1 3.2Å
1141	K	53.6	Low	56.6	Low	151 Å²	151	125.2 Å²	125.2	66%	0.657	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	7.3	176.4	-75.5	-176.5	176	176.3	0	115.1	M1137 A1139 P1143	M1137-K1141 HydrophobicContact CG-CD 4.2Å; M1137-K1141 WeakPolarHBondContact O-CB 3.34Å; M1137-K1141 WeakPolarHBondContact O-CG 3.29Å; M1137-K1141 PolarHBondContact O-N 3.35Å; A1139-K1141 VanDerWaalsContact C-N 3.32Å; A1139-K1141 PolarHBondContact O-N 3.3Å; K1141-P1143 WeakPolarHBondContact O-CD 3.4Å
1142	R	41	Very low	54.4	Low	201 Å²	201	125.6 Å²	125.6	76%	0.758	65%	0.651	S	S	*	*	S	Bend	trans	-64.1	119.1	170.9	-72.8	-171.7	178	-172.6	1.3	108.8	H1138 A1139 I1144	H1138-R1142 PolarHBondContact O-N 3.21Å; A1139-R1142 PolarHBondContact O-N 3.06Å; R1142-I1144 PolarHBondContact O-N 3.37Å
1143	P	43	Very low	52.4	Low	103 Å²	103	129 Å²	129	67%	0.669	68%	0.676	S	S	*	*			trans	-62	132.3	179.8	25.4	-33.1	0	0	0	109.4	K1141 N1145	K1141-P1143 WeakPolarHBondContact O-CD 3.4Å; P1143-N1145 VanDerWaalsContact C-N 3.33Å; P1143-N1145 PolarHBondContact O-N 3.37Å
1144	I	43.8	Very low	50.5	Low	164 Å²	164	128 Å²	128	84%	0.841	69%	0.686	S	S	*	*			trans	-59.6	102	166.5	-62.2	172.5	0	0	0	105.9	R1142 Q1146	R1142-I1144 PolarHBondContact O-N 3.37Å; I1144-Q1146 PolarHBondContact O-N 3.31Å
1145	N	42.4	Very low	48.5	Very low	134 Å²	134	134.2 Å²	134.2	72%	0.717	72%	0.722	S	S	*	*			trans	-58.5	116.3	-175.8	-96.3	-41.4	0	0	0	109.2	P1143 R1147	P1143-N1145 VanDerWaalsContact C-N 3.33Å; P1143-N1145 PolarHBondContact O-N 3.37Å; N1145-R1147 VanDerWaalsContact C-N 3.25Å; N1145-R1147 PolarHBondContact O-N 3.29Å
1146	Q	38	Very low	47.1	Very low	196 Å²	196	135.8 Å²	135.8	92%	0.916	74%	0.735	S	S	*	*			trans	-62.1	87.4	172.1	-71.9	176	-26.6	0	0	109.6	I1144	I1144-Q1146 PolarHBondContact O-N 3.31Å
1147	R	39.1	Very low	45.9	Very low	213 Å²	213	140 Å²	140	80%	0.804	76%	0.759	S	S	*	*			trans	-134.8	73.5	167.8	-75.5	-169.2	177.4	178.4	0.2	109.2	N1145	N1145-R1147 VanDerWaalsContact C-N 3.25Å; N1145-R1147 PolarHBondContact O-N 3.29Å
1148	E	37.7	Very low	44.6	Very low	119 Å²	119	142.8 Å²	142.8	56%	0.556	78%	0.776	S	S	*	*				166.8	96	122.4	-87.5	159.3	-140.3	0	0	110.9	K508	K508-E1148 WeakPolarHBondContact CD-OE1 3.47Å; K508-E1148 WeakPolarHBondContact CD-OE2 3.48Å; K508-E1148 WeakPolarHBondContact CE-OE2 3.38Å; K508-E1148 IonicContact NZ-OE1 3.84Å; K508-E1148 PolarHBondContact NZ-OE1 2.95Å; K508-E1148 IonicContact NZ-OE2 2.91Å; K508-E1148 PolarHBondContact NZ-OE2 3.28Å
1149	F	36	Very low	43.1	Very low	223 Å²	223	143.9 Å²	143.9	98%	0.978	79%	0.788	S	S	*	*			trans	-117.8	91.5	146	-96.3	-93.8	0	0	0	106.2
1150	G	39.2	Very low	41.7	Very low	71 Å²	71	149.1 Å²	149.1	73%	0.732	81%	0.806	S	S	*	*			trans	-108.3	125.5	173.4	0	0	0	0	0	108.8
1151	S	39.5	Very low	40.5	Very low	125 Å²	125	150.9 Å²	150.9	87%	0.874	81%	0.81	S	S	*	*			trans	-52.4	137.2	-179.1	51.5	0	0	0	0	113.8
1152	G	38.8	Very low	39.6	Very low	75 Å²	75	150.9 Å²	150.9	77%	0.773	82%	0.821	S	S	*	*			trans	-145.3	81.1	169.8	0	0	0	0	0	110.7
1153	T	41.2	Very low	39.5	Very low	128 Å²	128	147 Å²	147	79%	0.785	83%	0.826	S	S	*	*			trans	-100.3	144.3	170	42.8	0	0	0	0	110.5
1154	S	38.9	Very low	39.2	Very low	115 Å²	115	150.7 Å²	150.7	80%	0.804	84%	0.839	S	S	*	*			trans	57.7	93.7	169.4	67.2	0	0	0	0	118.3
1155	L	35.8	Very low	38.8	Very low	245 Å²	245	149.5 Å²	149.5	100%	1.283	84%	0.838	S	S	*	*				-160.7	0	105.6	-118.8	163.3	0	0	0	110.5

Retrieved 1,155 of 1,155 residues in 1105.1 ms (Link to these results)

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