A0A087XQ14_POEFO Loading...

DIS3-like exonuclease 2

3'-5'-exoribonuclease that specifically recognizes RNAs polyuridylated at their 3' end and mediates their degradation. Component of an exosome-independent RNA degradation pathway that mediates degradation of both mRNAs and miRNAs that have been polyuridylated by a terminal uridylyltransferase, such as ZCCHC11/TUT4. Mediates degradation of cytoplasmic mRNAs that have been deadenylated and subsequently uridylated at their 3'. Mediates degradation of uridylated pre-let-7 miRNAs, contributing to the maintenance of embryonic stem (ES) cells. Essential for correct mitosis, and negatively regulates cell proliferation. 3'-5'-exoribonuclease that specifically recognizes RNAs polyuridylated at their 3' end and mediates their degradation. Component of an exosome-independent RNA degradation pathway that mediates degradation of both mRNAs and miRNAs that have been polyuridylated by a terminal uridylyltransferase. Essential for correct mitosis, and negatively regulates cell proliferation.

AlphaFold DB , UniProt , Accession A0A087XQ14, Species POEFO (Poecilia formosa, Amazon molly), Gene dis3l2, Length 1,060 aa.

						>A0A087XQ14_POEFO|A0A087XQ14|dis3l2
MDPAQQSNKAKRNQGMRRSQNQSATPPPKDAYARLLSQHRSSMFTSYLAQYAQDSLTQKEANDSSASLQAHSDRLNLPQQKKDHVLIEFPDSSDFSPSSSKNKGEESSLSLYMEKLSTHCDQRECERKPGVNERQRRGQRRDTTTSQDGDIESGEELACSRSNGPKKHQKQQKKRDDPNRNAGPTAAEAYAGPQTPTANAGVSEQEQEKGKKSKKKNQLKKPEAEKNMEAVLKLSADPQIQSPKPNQGKSGKPQQPAGVNSPGEKGKNKGDRRSKKQVFESYMSLEEVSHGLKRGELHQGQLRINPKNYNEAFIPSPDDTRDIFLDGVVARNRALNGDIVVIQILPQEQWKVVKSDTDCDGTSESDTQTEHVPRTAQKSAGHGPSPDVKVEDQSSDPEELLRKRPDVSCADTGEHLEDPSTPQANADILQKTAKVVYIVERKHSRAVTGHLKFLPDKPFAMFSPVDHRVPRINVKLDDCPMEFRANPGDFAKTLLICRITDWPVDSNFAEGRLAKTLGQAGEIEPETEGIMIEYNVDFSEFPQEVLDCLPKTLPWTIPPEEIEKRRDLRKECIFTIDPATARDLDDALSCKQLPDGNFEVGVHIADVSYFVKEGTPLDNMASQRATSVYLVQMVVPMLPRLLCEELCSLNPLTDRLTFSVIWKLTPEGKILDKWFGRSVMHSCVKLSYDHAQQLIEAPERLFPPDELPPIDAEHTVDEIHQAVLHLHSIAKNLRAQRFLGGALRLDQPKLSFTLDKETMMPQGCYIYEYRDCNKLVEEFMLLANMAVATHIYRTFPTLALLRHHPPPKAKLVKELEVLCNQLGLNMDFTSAGTIHKSLCAIYGDDEYSVYRRQVLNNMCSRPMQLALYFCTGTKLLKEHFHHYALNVPLYTHFTSPIRRYPDIIVHRLLAASLNLGPRLGLSAEEVQIRALHCNDKKTLSKKVQELSSELYFGVFVKECGPLESKAMVMAVLDKSFDVLVLKYGVQKRIYCKSIAGLDSYRFQKVEKVPQLLLVWTSDDEESSPVEQVISIFSVVDVQLKADEVPLKYSALLKRPENVAS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	33.5	Very low	249 Å²	249	139 Å²	139	100%	1.227	74%	0.744	S	S	*	*				0	140.8	0	-75.3	177.2	172.2	0	0	107.3
2	D	26.5	Very low	33.2	Very low	156 Å²	156	145.1 Å²	145.1	83%	0.834	75%	0.748	S	S	*	*			trans	-110.3	168.8	-170.5	-111.4	-1.8	0	0	0	109.4
3	P	53.8	Low	32.9	Very low	98 Å²	98	142.6 Å²	142.6	64%	0.636	74%	0.737	S	S	*	*				-143.2	-157.4	-59.8	33	-10.3	0	0	0	112.2
4	A	34.2	Very low	32.5	Very low	75 Å²	75	146.1 Å²	146.1	62%	0.62	75%	0.749	S	S	*	*			trans	78.3	156.8	130.1	0	0	0	0	0	121.1
5	Q	36	Very low	32	Very low	159 Å²	159	141.3 Å²	141.3	74%	0.743	75%	0.75	S	S	*	*			cis	-170	173.6	-16.8	-101.4	-179.1	44.7	0	0	105.9
6	Q	31.4	Very low	31.6	Very low	142 Å²	142	143.3 Å²	143.3	66%	0.664	76%	0.756	S	S	*	*			cis	-159.6	172	-6.8	-117.6	-159.2	92.5	0	0	104.5	N8	Q6-N8 PolarHBondContact OE1-ND2 2.82Å; Q6-N8 VanDerWaalsContact OE1-ND2 3.13Å
7	S	30.7	Very low	31.3	Very low	88 Å²	88	147.1 Å²	147.1	62%	0.615	76%	0.758	S	S	*	*			cis	-174.5	-160.2	-7.1	57.6	0	0	0	0	108
8	N	31.3	Very low	31.1	Very low	90 Å²	90	151.5 Å²	151.5	48%	0.481	76%	0.763	S	S	.	*			cis	-155.7	119.5	-2	-134	-68.5	0	0	0	108.5	Q6	Q6-N8 PolarHBondContact OE1-ND2 2.82Å; Q6-N8 VanDerWaalsContact OE1-ND2 3.13Å
9	K	29.7	Very low	30.7	Very low	189 Å²	189	148.9 Å²	148.9	82%	0.822	76%	0.76	S	S	*	*			trans	65	162.4	153.8	-67.6	165.9	-173.7	139.8	0	119.2
10	A	29.6	Very low	30.6	Very low	79 Å²	79	149.7 Å²	149.7	65%	0.653	76%	0.761	S	S	*	*			cis	-172.2	159.7	-29.3	0	0	0	0	0	113
11	K	27.4	Very low	30.5	Very low	204 Å²	204	149.2 Å²	149.2	89%	0.887	76%	0.76	S	S	*	*			trans	68	163.2	159.1	-65.5	170	-178.7	179.2	0	118.8
12	R	29.4	Very low	30.1	Very low	212 Å²	212	146.9 Å²	146.9	80%	0.8	75%	0.746	S	S	*	*			cis	-171.8	145.1	-46	-153	-165.6	171.1	158.8	3.3	110.6
13	N	29.3	Very low	30	Very low	113 Å²	113	145 Å²	145	60%	0.604	75%	0.745	S	S	*	*			trans	76.9	142.9	150.6	-87.3	17.4	0	0	0	123.1
14	Q	27.8	Very low	28.7	Very low	192 Å²	192	145.1 Å²	145.1	90%	0.897	76%	0.755	S	S	*	*			trans	75.6	151.9	149.8	-74	173.3	-15	0	0	121.2
15	G	24.3	Very low	28.5	Very low	74 Å²	74	147.8 Å²	147.8	76%	0.763	76%	0.763	S	S	*	*			trans	173.5	168.7	179.2	0	0	0	0	0	111.6
16	M	26	Very low	28.2	Very low	172 Å²	172	145.1 Å²	145.1	85%	0.847	76%	0.76	S	S	*	*			trans	-163.5	131.1	176.4	-124.6	172.6	63.5	0	0	116.4
17	R	26.6	Very low	28.2	Very low	209 Å²	209	143.7 Å²	143.7	79%	0.789	76%	0.763	S	S	*	*			trans	43.4	143.9	142.1	-72.9	179.4	168	-178.1	-3.6	124.3
18	R	27.2	Very low	28.3	Very low	226 Å²	226	145.8 Å²	145.8	85%	0.853	77%	0.774	S	S	*	*			trans	76.7	112.4	150.6	-84.6	179	174.7	178	-4.5	117.3
19	S	25.1	Very low	28.5	Very low	102 Å²	102	149.9 Å²	149.9	71%	0.713	79%	0.788	S	S	*	*				92.4	146	81	71.6	0	0	0	0	112.4
20	Q	28.6	Very low	29.2	Very low	164 Å²	164	145.4 Å²	145.4	77%	0.766	77%	0.773	S	S	*	*			cis	-159.4	160	18.9	-151.7	174.7	-2.3	0	0	111.8
21	N	28.6	Very low	29.5	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	77%	0.772	S	S	*	*			trans	40.5	116.7	160.2	-65.5	1.6	0	0	0	122
22	Q	27.9	Very low	29.7	Very low	201 Å²	201	143.4 Å²	143.4	94%	0.939	76%	0.76	S	S	*	*				-156.3	163	99.6	-104.1	-176.8	25	0	0	110.9
23	S	25.9	Very low	30.2	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	74%	0.74	S	S	*	*			trans	-100.1	133.7	-165	51.5	0	0	0	0	114.1
24	A	26.4	Very low	30.6	Very low	102 Å²	102	137.3 Å²	137.3	84%	0.843	74%	0.739	S	S	*	*			trans	-121.1	113.9	168.1	0	0	0	0	0	110.3
25	T	28.7	Very low	30.9	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-80.3	133.6	178.6	-35.7	0	0	0	0	110
26	P	30.8	Very low	31.4	Very low	103 Å²	103	133.3 Å²	133.3	67%	0.669	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-70.1	147.7	174.6	29.5	-34.8	0	0	0	111.3
27	P	31.5	Very low	32	Very low	113 Å²	113	128.7 Å²	128.7	73%	0.734	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-66.3	148.8	177.7	28.2	-34.9	0	0	0	111.5	K29	P27-K29 PolarHBondContact O-N 3.34Å; P27-K29 VanDerWaalsContact O-N 3.1Å
28	P	33	Very low	32.5	Very low	131 Å²	131	124.9 Å²	124.9	85%	0.851	68%	0.681	S	S	*	*			trans	-67.5	111	-176.8	27.1	-34	0	0	0	111	D30	P28-D30 PolarHBondContact O-N 3.22Å
29	K	34.2	Very low	33.2	Very low	176 Å²	176	120 Å²	120	77%	0.765	67%	0.667	S	S	*	*			trans	-70	102	170.1	-72.6	-171.5	177	-173.5	0	110	P27 A31 R34	P27-K29 PolarHBondContact O-N 3.34Å; P27-K29 VanDerWaalsContact O-N 3.1Å; K29-A31 PolarHBondContact O-N 2.94Å; K29-R34 PolarHBondContact O-NH2 2.82Å
30	D	44.1	Very low	33.7	Very low	96 Å²	96	126 Å²	126	51%	0.513	67%	0.674	S	S	.	*			trans	17.5	102.5	151.7	-164.7	-18	0	0	0	115.5	P28 Y32 A33	P28-D30 PolarHBondContact O-N 3.22Å; D30-Y32 WeakPolarHBondContact OD1-CA 3.44Å; D30-Y32 WeakPolarHBondContact OD1-CB 3.5Å; D30-Y32 PolarHBondContact OD1-N 2.97Å; D30-A33 HydrophobicContact CB-CB 4.06Å; D30-A33 VanDerWaalsContact CG-CB 3.46Å; D30-A33 PolarHBondContact OD1-N 2.81Å; D30-A33 WeakPolarHBondContact OD2-CB 3.41Å
31	A	36.4	Very low	34.5	Very low	76 Å²	76	120.4 Å²	120.4	63%	0.628	65%	0.653	S	S	*	*	H	α-helix	trans	-75.8	-27.6	174.4	0	0	0	0	0	112.2	K29 R34 L35	K29-A31 PolarHBondContact O-N 2.94Å; A31-R34 PolarHBondContact O-N 3.48Å; A31-L35 PolarHBondContact O-N 3.42Å
32	Y	32.7	Very low	35.3	Very low	164 Å²	164	118 Å²	118	64%	0.643	65%	0.648	S	S	*	*	H	α-helix	trans	-72.9	-42.6	-177.1	-169	-115.9	0	0	0	111.1	D30 R34 L35 L36	D30-Y32 WeakPolarHBondContact OD1-CA 3.44Å; D30-Y32 WeakPolarHBondContact OD1-CB 3.5Å; D30-Y32 PolarHBondContact OD1-N 2.97Å; Y32-R34 PolarHBondContact O-N 2.58Å; Y32-L35 WeakPolarHBondContact O-CB 3.32Å; Y32-L35 PolarHBondContact O-N 3.09Å; Y32-L35 VanDerWaalsContact O-N 3.12Å; Y32-L36 HydrophobicContact CD1-CD1 3.74Å; Y32-L36 HydrophobicContact CE1-CD1 3.58Å; Y32-L36 HydrophobicContact CE1-CG 4.4Å; Y32-L36 HydrophobicContact CG-CD1 4.45Å; Y32-L36 PolarHBondContact O-N 2.84Å
33	A	39.2	Very low	35.9	Very low	45 Å²	45	115.4 Å²	115.4	37%	0.372	64%	0.637	S	S	.	*	H	α-helix	trans	-60.8	-29.3	170.6	0	0	0	0	0	113.2	D30 S37	D30-A33 HydrophobicContact CB-CB 4.06Å; D30-A33 VanDerWaalsContact CG-CB 3.46Å; D30-A33 PolarHBondContact OD1-N 2.81Å; D30-A33 WeakPolarHBondContact OD2-CB 3.41Å; A33-S37 WeakPolarHBondContact O-CB 3.34Å; A33-S37 PolarHBondContact O-N 3.45Å; A33-S37 VanDerWaalsContact O-N 3.11Å; A33-S37 PolarHBondContact O-OG 3.49Å
34	R	37.6	Very low	36.5	Very low	153 Å²	153	113.5 Å²	113.5	58%	0.577	61%	0.614	S	S	*	*	H	α-helix	trans	-74.6	-36.9	172.7	-88.1	-175.3	-82.7	175.8	-4.1	112.9	K29 A31 Y32 S37 Q38	K29-R34 PolarHBondContact O-NH2 2.82Å; A31-R34 PolarHBondContact O-N 3.48Å; Y32-R34 PolarHBondContact O-N 2.58Å; R34-S37 WeakPolarHBondContact CA-OG 3.48Å; R34-S37 PolarHBondContact O-OG 2.67Å; R34-Q38 WeakPolarHBondContact O-CG 3.08Å; R34-Q38 PolarHBondContact O-N 3.1Å
35	L	34.5	Very low	37.5	Very low	97 Å²	97	113.2 Å²	113.2	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-63.2	-50	171.9	-143	77.3	0	0	0	111	A31 Y32 S37 Q38 H39	A31-L35 PolarHBondContact O-N 3.42Å; Y32-L35 WeakPolarHBondContact O-CB 3.32Å; Y32-L35 PolarHBondContact O-N 3.09Å; Y32-L35 VanDerWaalsContact O-N 3.12Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.35Å; L35-Q38 PolarHBondContact O-N 3.32Å; L35-H39 PolarHBondContact O-CD2 3.47Å; L35-H39 PolarHBondContact O-N 3.13Å; L35-H39 VanDerWaalsContact O-N 3.1Å
36	L	34.6	Very low	38.6	Very low	85 Å²	85	110.3 Å²	110.3	45%	0.445	59%	0.587	S	S	.	*	H	α-helix	trans	-63.3	-33.6	-179.5	-75.8	169.6	0	0	0	113.8	Y32	Y32-L36 HydrophobicContact CD1-CD1 3.74Å; Y32-L36 HydrophobicContact CE1-CD1 3.58Å; Y32-L36 HydrophobicContact CE1-CG 4.4Å; Y32-L36 HydrophobicContact CG-CD1 4.45Å; Y32-L36 PolarHBondContact O-N 2.84Å
37	S	38.2	Very low	39.7	Very low	74 Å²	74	112 Å²	112	52%	0.517	58%	0.582	S	S	.	*	H	α-helix	trans	-77	-26.8	176.1	47.9	0	0	0	0	113.3	A33 R34 L35	A33-S37 WeakPolarHBondContact O-CB 3.34Å; A33-S37 PolarHBondContact O-N 3.45Å; A33-S37 VanDerWaalsContact O-N 3.11Å; A33-S37 PolarHBondContact O-OG 3.49Å; R34-S37 WeakPolarHBondContact CA-OG 3.48Å; R34-S37 PolarHBondContact O-OG 2.67Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.35Å
38	Q	36.8	Very low	40.4	Very low	129 Å²	129	110.9 Å²	110.9	60%	0.603	57%	0.569	S	S	*	*	H	α-helix	trans	-69.6	-42	169.8	-73.7	177	-31	0	0	111.6	R34 L35 R40 S41	R34-Q38 WeakPolarHBondContact O-CG 3.08Å; R34-Q38 PolarHBondContact O-N 3.1Å; L35-Q38 PolarHBondContact O-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.46Å; Q38-R40 VanDerWaalsContact O-N 3.08Å; Q38-S41 PolarHBondContact O-N 3.33Å; Q38-S41 PolarHBondContact O-OG 2.92Å; Q38-S41 VanDerWaalsContact O-OG 3.12Å
39	H	41.8	Very low	41.5	Very low	124 Å²	124	107.3 Å²	107.3	57%	0.574	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-9.3	175.4	-90.3	-87.6	0	0	0	115.4	L35	L35-H39 PolarHBondContact O-CD2 3.47Å; L35-H39 PolarHBondContact O-N 3.13Å; L35-H39 VanDerWaalsContact O-N 3.1Å
40	R	36.6	Very low	42.5	Very low	229 Å²	229	104.4 Å²	104.4	86%	0.864	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	13.6	177.8	-68.7	-172.3	175.9	-170.7	-0.2	114.2	Q38	Q38-R40 PolarHBondContact O-N 3.46Å; Q38-R40 VanDerWaalsContact O-N 3.08Å
41	S	46	Very low	42.9	Very low	46 Å²	46	106.1 Å²	106.1	32%	0.322	54%	0.54	S	S	.	.			trans	-88.7	133.4	172.3	72.3	0	0	0	0	111.5	Q38 M43 F44	Q38-S41 PolarHBondContact O-N 3.33Å; Q38-S41 PolarHBondContact O-OG 2.92Å; Q38-S41 VanDerWaalsContact O-OG 3.12Å; S41-M43 PolarHBondContact O-N 3.28Å; S41-F44 PolarHBondContact O-N 2.96Å; S41-F44 PolarHBondContact OG-N 3.49Å
42	S	44.9	Very low	43.6	Very low	90 Å²	90	104.8 Å²	104.8	63%	0.629	53%	0.529	S	S	*	.	H	α-helix	trans	-59.8	-27.8	175.5	52.5	0	0	0	0	112.6	F44 T45 S46	S42-F44 VanDerWaalsContact C-N 3.26Å; S42-F44 PolarHBondContact O-N 3.43Å; S42-T45 PolarHBondContact O-N 2.89Å; S42-S46 PolarHBondContact O-N 2.81Å; S42-S46 PolarHBondContact O-OG 2.98Å; S42-S46 VanDerWaalsContact O-OG 3.14Å
43	M	40.7	Very low	44.6	Very low	146 Å²	146	103.2 Å²	103.2	72%	0.719	53%	0.527	S	S	*	.	H	α-helix	trans	-58.1	-35.3	172.4	-64.7	-62.5	-66.2	0	0	112.8	S41 Y47	S41-M43 PolarHBondContact O-N 3.28Å; M43-Y47 WeakPolarHBondContact O-CB 3.41Å; M43-Y47 PolarHBondContact O-N 2.95Å
44	F	38.7	Very low	45.2	Very low	74 Å²	74	105 Å²	105	33%	0.325	53%	0.531	S	S	.	.	H	α-helix	trans	-75.1	-38.6	177.8	-172.1	-113.4	0	0	0	111.8	S41 S42 Y47 L48	S41-F44 PolarHBondContact O-N 2.96Å; S41-F44 PolarHBondContact OG-N 3.49Å; S42-F44 VanDerWaalsContact C-N 3.26Å; S42-F44 PolarHBondContact O-N 3.43Å; F44-Y47 PolarHBondContact O-N 3.38Å; F44-L48 HydrophobicContact CD1-CD1 4.02Å; F44-L48 HydrophobicContact CE1-CD1 3.61Å; F44-L48 HydrophobicContact CE1-CG 4.24Å; F44-L48 HydrophobicContact CZ-CD1 4.03Å; F44-L48 HydrophobicContact CZ-CD2 4.4Å; F44-L48 HydrophobicContact CZ-CG 4.25Å; F44-L48 WeakPolarHBondContact O-CG 3.31Å; F44-L48 PolarHBondContact O-N 2.9Å
45	T	47.3	Very low	45.4	Very low	97 Å²	97	100 Å²	100	60%	0.595	52%	0.518	S	S	*	.	H	α-helix	trans	-62.4	-43	171.7	-42.1	0	0	0	0	111.4	S42 L48 A49	S42-T45 PolarHBondContact O-N 2.89Å; T45-L48 PolarHBondContact O-N 3.42Å; T45-A49 WeakPolarHBondContact O-CB 3.36Å; T45-A49 PolarHBondContact O-N 3.5Å
46	S	50.3	Low	45.9	Very low	69 Å²	69	100.3 Å²	100.3	48%	0.483	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-42.6	173.3	-62.3	0	0	0	0	112	S42 A49 Q50	S42-S46 PolarHBondContact O-N 2.81Å; S42-S46 PolarHBondContact O-OG 2.98Å; S42-S46 VanDerWaalsContact O-OG 3.14Å; S46-A49 PolarHBondContact O-N 3.45Å; S46-Q50 VanDerWaalsContact O-CB 3.27Å; S46-Q50 WeakPolarHBondContact O-CB 3.2Å; S46-Q50 PolarHBondContact O-N 3.31Å
47	Y	54.9	Low	46.4	Very low	139 Å²	139	100 Å²	100	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-41.7	176.6	-179.8	-102.8	0	0	0	112.3	M43 F44 Q50 Y51	M43-Y47 WeakPolarHBondContact O-CB 3.41Å; M43-Y47 PolarHBondContact O-N 2.95Å; F44-Y47 PolarHBondContact O-N 3.38Å; Y47-Q50 PolarHBondContact O-N 2.62Å; Y47-Y51 VanDerWaalsContact O-CB 3.22Å; Y47-Y51 WeakPolarHBondContact O-CB 3.27Å; Y47-Y51 PolarHBondContact O-N 2.81Å
48	L	45.9	Very low	46.5	Very low	88 Å²	88	103.1 Å²	103.1	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-66.9	-39.3	175.2	-72.9	174.9	0	0	0	112.6	F44 T45 A52	F44-L48 HydrophobicContact CD1-CD1 4.02Å; F44-L48 HydrophobicContact CE1-CD1 3.61Å; F44-L48 HydrophobicContact CE1-CG 4.24Å; F44-L48 HydrophobicContact CZ-CD1 4.03Å; F44-L48 HydrophobicContact CZ-CD2 4.4Å; F44-L48 HydrophobicContact CZ-CG 4.25Å; F44-L48 WeakPolarHBondContact O-CG 3.31Å; F44-L48 PolarHBondContact O-N 2.9Å; T45-L48 PolarHBondContact O-N 3.42Å; L48-A52 WeakPolarHBondContact O-CB 3.26Å; L48-A52 PolarHBondContact O-N 3.24Å
49	A	57.3	Low	46.6	Very low	56 Å²	56	103.9 Å²	103.9	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-41.5	174.5	0	0	0	0	0	111.8	T45 S46 A52 Q53	T45-A49 WeakPolarHBondContact O-CB 3.36Å; T45-A49 PolarHBondContact O-N 3.5Å; S46-A49 PolarHBondContact O-N 3.45Å; A49-A52 PolarHBondContact O-N 3.34Å; A49-Q53 WeakPolarHBondContact O-CG 3.36Å; A49-Q53 PolarHBondContact O-N 3.47Å; A49-Q53 VanDerWaalsContact O-N 3.08Å
50	Q	54.1	Low	46.5	Very low	115 Å²	115	104.8 Å²	104.8	54%	0.537	53%	0.534	S	S	.	.	H	α-helix	trans	-68.8	-44.3	177.8	-165.4	164.1	16.9	0	0	111.4	S46 Y47 A52 Q53 D54	S46-Q50 VanDerWaalsContact O-CB 3.27Å; S46-Q50 WeakPolarHBondContact O-CB 3.2Å; S46-Q50 PolarHBondContact O-N 3.31Å; Y47-Q50 PolarHBondContact O-N 2.62Å; Q50-A52 VanDerWaalsContact C-N 3.29Å; Q50-A52 PolarHBondContact O-N 3Å; Q50-Q53 PolarHBondContact O-N 3.3Å; Q50-Q53 VanDerWaalsContact O-N 3.09Å; Q50-D54 PolarHBondContact O-N 2.91Å
51	Y	52.2	Low	46.5	Very low	133 Å²	133	96.9 Å²	96.9	52%	0.522	52%	0.518	S	S	.	.	H	α-helix	trans	-61.7	-34.2	173.8	-175.6	-100.4	0	0	0	112.7	Y47 S55	Y47-Y51 VanDerWaalsContact O-CB 3.22Å; Y47-Y51 WeakPolarHBondContact O-CB 3.27Å; Y47-Y51 PolarHBondContact O-N 2.81Å; Y51-S55 VanDerWaalsContact O-CB 3.23Å; Y51-S55 WeakPolarHBondContact O-CB 3.3Å; Y51-S55 PolarHBondContact O-N 3.38Å; Y51-S55 PolarHBondContact O-OG 2.85Å
52	A	52.4	Low	46.1	Very low	48 Å²	48	100.3 Å²	100.3	40%	0.397	53%	0.533	S	S	.	.	H	α-helix	trans	-67.5	-39.5	172.5	0	0	0	0	0	112.2	L48 A49 Q50 S55 L56	L48-A52 WeakPolarHBondContact O-CB 3.26Å; L48-A52 PolarHBondContact O-N 3.24Å; A49-A52 PolarHBondContact O-N 3.34Å; Q50-A52 VanDerWaalsContact C-N 3.29Å; Q50-A52 PolarHBondContact O-N 3Å; A52-S55 PolarHBondContact O-N 3.43Å; A52-L56 WeakPolarHBondContact O-CB 3.47Å; A52-L56 VanDerWaalsContact O-CG 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.38Å; A52-L56 PolarHBondContact O-N 2.74Å
53	Q	52.1	Low	45.6	Very low	130 Å²	130	103.1 Å²	103.1	61%	0.607	54%	0.541	S	S	*	.	H	α-helix	trans	-68.3	-40.9	174.3	-72	-179.7	-37	0	0	112.4	A49 Q50 S55 L56 T57	A49-Q53 WeakPolarHBondContact O-CG 3.36Å; A49-Q53 PolarHBondContact O-N 3.47Å; A49-Q53 VanDerWaalsContact O-N 3.08Å; Q50-Q53 PolarHBondContact O-N 3.3Å; Q50-Q53 VanDerWaalsContact O-N 3.09Å; Q53-S55 VanDerWaalsContact C-N 3.34Å; Q53-S55 PolarHBondContact O-N 2.87Å; Q53-L56 PolarHBondContact O-N 3.4Å; Q53-T57 PolarHBondContact O-N 2.84Å; Q53-T57 PolarHBondContact O-OG1 2.87Å
54	D	51.7	Low	45.3	Very low	84 Å²	84	100.8 Å²	100.8	45%	0.449	54%	0.539	S	S	.	.	H	α-helix	trans	-65.2	-37.6	174.6	-66.7	-20.8	0	0	0	111.2	Q50 T57 Q58	Q50-D54 PolarHBondContact O-N 2.91Å; D54-T57 WeakPolarHBondContact CA-OG1 3.43Å; D54-T57 PolarHBondContact O-OG1 3.32Å; D54-Q58 WeakPolarHBondContact O-CB 3.45Å; D54-Q58 WeakPolarHBondContact O-CG 3.41Å; D54-Q58 PolarHBondContact O-N 2.82Å
55	S	42.7	Very low	45.1	Very low	46 Å²	46	101.7 Å²	101.7	32%	0.322	55%	0.554	S	S	.	*	H	α-helix	trans	-71.3	-29.5	176.1	-60.8	0	0	0	0	113.6	Y51 A52 Q53 K59	Y51-S55 VanDerWaalsContact O-CB 3.23Å; Y51-S55 WeakPolarHBondContact O-CB 3.3Å; Y51-S55 PolarHBondContact O-N 3.38Å; Y51-S55 PolarHBondContact O-OG 2.85Å; A52-S55 PolarHBondContact O-N 3.43Å; Q53-S55 VanDerWaalsContact C-N 3.34Å; Q53-S55 PolarHBondContact O-N 2.87Å; S55-K59 PolarHBondContact O-N 3.43Å
56	L	45.7	Very low	44.2	Very low	105 Å²	105	101.9 Å²	101.9	55%	0.55	57%	0.566	S	S	.	*	H	α-helix	trans	-74.7	-47	174.1	-77	165.1	0	0	0	111	A52 Q53 Q58 K59 E60	A52-L56 WeakPolarHBondContact O-CB 3.47Å; A52-L56 VanDerWaalsContact O-CG 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.38Å; A52-L56 PolarHBondContact O-N 2.74Å; Q53-L56 PolarHBondContact O-N 3.4Å; L56-Q58 VanDerWaalsContact C-N 3.31Å; L56-Q58 PolarHBondContact O-N 3.14Å; L56-K59 WeakPolarHBondContact O-CB 3.47Å; L56-K59 PolarHBondContact O-N 2.88Å; L56-E60 PolarHBondContact O-N 2.7Å
57	T	44.1	Very low	43.1	Very low	78 Å²	78	103.4 Å²	103.4	48%	0.479	58%	0.576	S	S	.	*	H	α-helix	trans	-65.6	-30.8	177.7	50.3	0	0	0	0	113	Q53 D54 K59 A61	Q53-T57 PolarHBondContact O-N 2.84Å; Q53-T57 PolarHBondContact O-OG1 2.87Å; D54-T57 WeakPolarHBondContact CA-OG1 3.43Å; D54-T57 PolarHBondContact O-OG1 3.32Å; T57-K59 VanDerWaalsContact C-N 3.32Å; T57-K59 PolarHBondContact O-N 3.26Å; T57-A61 WeakPolarHBondContact O-CB 3.33Å; T57-A61 PolarHBondContact O-N 2.72Å
58	Q	40.6	Very low	41.9	Very low	139 Å²	139	103.9 Å²	103.9	65%	0.65	59%	0.588	S	S	*	*	H	α-helix	trans	-70.4	-21.3	169.6	-76.7	-171.3	6.1	0	0	114.6	D54 L56 N62	D54-Q58 WeakPolarHBondContact O-CB 3.45Å; D54-Q58 WeakPolarHBondContact O-CG 3.41Å; D54-Q58 PolarHBondContact O-N 2.82Å; L56-Q58 VanDerWaalsContact C-N 3.31Å; L56-Q58 PolarHBondContact O-N 3.14Å; Q58-N62 PolarHBondContact O-ND2 3.44Å; Q58-N62 VanDerWaalsContact O-ND2 3.09Å
59	K	38.9	Very low	41.2	Very low	145 Å²	145	108.2 Å²	108.2	63%	0.63	61%	0.606	S	S	*	*	H	α-helix	trans	-78.2	-49.9	170.1	-81.8	-174	169.7	-174.2	0	111.3	S55 L56 T57 A61 N62 D63	S55-K59 PolarHBondContact O-N 3.43Å; L56-K59 WeakPolarHBondContact O-CB 3.47Å; L56-K59 PolarHBondContact O-N 2.88Å; T57-K59 VanDerWaalsContact C-N 3.32Å; T57-K59 PolarHBondContact O-N 3.26Å; K59-A61 PolarHBondContact O-N 3.01Å; K59-N62 PolarHBondContact O-N 3.44Å; K59-D63 PolarHBondContact O-N 2.87Å; K59-D63 VanDerWaalsContact O-N 3.16Å
60	E	39.1	Very low	39.7	Very low	143 Å²	143	109.9 Å²	109.9	67%	0.668	62%	0.619	S	S	*	*	H	α-helix	trans	-59.1	-30.3	178.3	-66.8	-179.4	158.5	0	0	112.6	L56	L56-E60 PolarHBondContact O-N 2.7Å
61	A	37.2	Very low	38.5	Very low	64 Å²	64	113.8 Å²	113.8	53%	0.529	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.1	-24.6	174.1	0	0	0	0	0	114.9	T57 K59 S64	T57-A61 WeakPolarHBondContact O-CB 3.33Å; T57-A61 PolarHBondContact O-N 2.72Å; K59-A61 PolarHBondContact O-N 3.01Å; A61-S64 PolarHBondContact O-OG 3.07Å
62	N	37.6	Very low	37.5	Very low	117 Å²	117	111.9 Å²	111.9	63%	0.626	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-38.5	-178.7	-85.4	-40.1	0	0	0	112.5	Q58 K59 S64 S65	Q58-N62 PolarHBondContact O-ND2 3.44Å; Q58-N62 VanDerWaalsContact O-ND2 3.09Å; K59-N62 PolarHBondContact O-N 3.44Å; N62-S64 PolarHBondContact O-N 3.11Å; N62-S64 VanDerWaalsContact O-N 3.09Å; N62-S65 PolarHBondContact O-N 3.45Å; N62-S65 PolarHBondContact O-OG 3.34Å
63	D	33.4	Very low	36.4	Very low	150 Å²	150	115 Å²	115	80%	0.802	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-7.3	-177.7	-73.3	-30.6	0	0	0	113.8	K59	K59-D63 PolarHBondContact O-N 2.87Å; K59-D63 VanDerWaalsContact O-N 3.16Å
64	S	34.3	Very low	35.3	Very low	97 Å²	97	118.7 Å²	118.7	68%	0.678	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	12.3	-179.8	63.3	0	0	0	0	115.8	A61 N62	A61-S64 PolarHBondContact O-OG 3.07Å; N62-S64 PolarHBondContact O-N 3.11Å; N62-S64 VanDerWaalsContact O-N 3.09Å
65	S	34.5	Very low	34.3	Very low	93 Å²	93	120.7 Å²	120.7	65%	0.65	67%	0.671	S	S	*	*	S	Bend	trans	-139.8	30.5	-167.6	67.4	0	0	0	0	118.4	N62	N62-S65 PolarHBondContact O-N 3.45Å; N62-S65 PolarHBondContact O-OG 3.34Å
66	A	30	Very low	33.5	Very low	101 Å²	101	125.3 Å²	125.3	84%	0.835	69%	0.693	S	S	*	*			trans	-137.7	90.3	176.1	0	0	0	0	0	114.6
67	S	26.1	Very low	32.6	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	71%	0.707	S	S	*	*			trans	-159.9	130.1	168.4	126	0	0	0	0	112.2
68	L	29.4	Very low	32.5	Very low	149 Å²	149	129.1 Å²	129.1	78%	0.78	72%	0.715	S	S	*	*			trans	67.3	150.7	172.3	-51.8	169.5	0	0	0	114.4
69	Q	30.6	Very low	31.9	Very low	179 Å²	179	129.9 Å²	129.9	84%	0.836	72%	0.719	S	S	*	*			cis	-157.8	159.3	-2.9	-129.2	165.4	11	0	0	109.3
70	A	25.8	Very low	31.3	Very low	90 Å²	90	128.9 Å²	128.9	74%	0.744	72%	0.716	S	S	*	*			trans	-149.9	109.7	176.4	0	0	0	0	0	115
71	H	29.7	Very low	30.7	Very low	198 Å²	198	129.9 Å²	129.9	92%	0.917	72%	0.718	S	S	*	*			trans	178.9	148.2	157.2	-95.8	-52.4	0	0	0	107.3
72	S	30.6	Very low	30.4	Very low	92 Å²	92	134 Å²	134	64%	0.643	72%	0.724	S	S	*	*			cis	-154.3	-171.7	1.1	65.6	0	0	0	0	112.5
73	D	30.3	Very low	29.9	Very low	115 Å²	115	133.4 Å²	133.4	62%	0.615	72%	0.721	S	S	*	*			trans	92.9	116.2	153.1	-86.7	55.9	0	0	0	123.1
74	R	29.6	Very low	29.6	Very low	207 Å²	207	133.5 Å²	133.5	78%	0.781	72%	0.716	S	S	*	*			trans	76.5	148.1	139.3	-62.3	177.5	176.5	-126.3	-7.3	119.3
75	L	30.1	Very low	29.3	Very low	125 Å²	125	134 Å²	134	65%	0.654	72%	0.715	S	S	*	*			cis	-163.2	165.2	-6.6	-115.9	169.6	0	0	0	112.8
76	N	26.3	Very low	28.9	Very low	144 Å²	144	136.3 Å²	136.3	77%	0.77	72%	0.719	S	S	*	*			trans	85.2	153.7	154.2	-70.9	-32	0	0	0	123
77	L	25.4	Very low	28.8	Very low	163 Å²	163	138.2 Å²	138.2	85%	0.853	71%	0.714	S	S	*	*			trans	-127.2	-166.4	-171.9	-119	87.3	0	0	0	108.8
78	P	43.1	Very low	28.7	Very low	99 Å²	99	141.2 Å²	141.2	64%	0.643	72%	0.717	S	S	*	*			cis	-139.3	-168.9	2.7	26.4	0.6	0	0	0	116.6
79	Q	26.8	Very low	28.7	Very low	156 Å²	156	143.6 Å²	143.6	73%	0.729	72%	0.721	S	S	*	*			trans	90.3	145.5	155.8	-53.8	-161.4	8.3	0	0	118.3
80	Q	26.9	Very low	29.2	Very low	124 Å²	124	140.4 Å²	140.4	58%	0.579	72%	0.716	S	S	*	*			cis	-157.2	151.5	4.4	-134.3	-176.4	87.4	0	0	113.2
81	K	27.9	Very low	29.2	Very low	164 Å²	164	143.1 Å²	143.1	71%	0.713	72%	0.718	S	S	*	*			trans	67.8	122	154	-79.1	172.3	-177.1	152.3	0	119.4
82	K	29.5	Very low	29.2	Very low	151 Å²	151	138.4 Å²	138.4	66%	0.657	71%	0.707	S	S	*	*				89.2	143.6	74.2	-90.8	-178	144.8	-82.4	0	112
83	D	27.3	Very low	29	Very low	104 Å²	104	139.7 Å²	139.7	56%	0.556	72%	0.716	S	S	*	*			cis	-156.5	156.7	22.8	-114.9	-31.8	0	0	0	116.7
84	H	27.9	Very low	28.8	Very low	152 Å²	152	141 Å²	141	70%	0.704	72%	0.723	S	S	*	*			trans	45.5	157.7	149.3	-68.1	-62.1	0	0	0	125.6
85	V	27.6	Very low	28.5	Very low	107 Å²	107	140.6 Å²	140.6	65%	0.648	73%	0.728	S	S	*	*			cis	-174.4	143.7	-37.2	94	0	0	0	0	113.6
86	L	26.2	Very low	28.3	Very low	142 Å²	142	139.7 Å²	139.7	74%	0.743	73%	0.732	S	S	*	*			trans	53.6	173.9	159.8	-67.1	155.5	0	0	0	118
87	I	27.6	Very low	29.1	Very low	140 Å²	140	138.2 Å²	138.2	72%	0.718	73%	0.73	S	S	*	*			cis	-141.2	113.6	20.4	-77.6	176.9	0	0	0	109
88	E	24.8	Very low	29	Very low	165 Å²	165	135.7 Å²	135.7	77%	0.771	73%	0.726	S	S	*	*				92.2	149.6	108.1	-64.5	-177.2	159.6	0	0	117.9
89	F	28.5	Very low	28.2	Very low	198 Å²	198	135.6 Å²	135.6	87%	0.868	73%	0.728	S	S	*	*			trans	-98.6	-174.9	173.5	-69.8	-102.6	0	0	0	110.4
90	P	41	Very low	28.1	Very low	112 Å²	112	132.4 Å²	132.4	73%	0.727	72%	0.723	S	S	*	*				-146.5	143.2	88.5	38.3	-21.6	0	0	0	116.4
91	D	27	Very low	28.1	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	73%	0.733	S	S	*	*				48.1	150.5	125.4	-62.1	-14.8	0	0	0	123.1
92	S	27.8	Very low	28	Very low	99 Å²	99	134.2 Å²	134.2	69%	0.692	74%	0.736	S	S	*	*			cis	-169.6	164.5	-11.3	49.6	0	0	0	0	110.8
93	S	27.1	Very low	27.9	Very low	119 Å²	119	136.3 Å²	136.3	83%	0.832	75%	0.745	S	S	*	*			trans	-177.6	109.4	132.5	37	0	0	0	0	111.6
94	D	26.7	Very low	27.8	Very low	143 Å²	143	134.5 Å²	134.5	77%	0.765	75%	0.751	S	S	*	*			trans	-77.9	145.5	172.8	-64.8	-71	0	0	0	112.1
95	F	23.9	Very low	27.8	Very low	198 Å²	198	136.1 Å²	136.1	87%	0.868	76%	0.758	S	S	*	*				-178.9	138.9	98.4	-111.5	-90.3	0	0	0	112.8
96	S	24	Very low	27.8	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	77%	0.767	S	S	*	*			trans	-105.3	-167.5	170.2	-56.7	0	0	0	0	109.2
97	P	43.6	Very low	27.8	Very low	114 Å²	114	137.9 Å²	137.9	74%	0.74	77%	0.768	S	S	*	*			cis	-140.9	-165.4	-3.4	42.5	-23.1	0	0	0	115.4
98	S	23.4	Very low	27.7	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	77%	0.766	S	S	*	*			trans	105.6	142.9	145.8	83.5	0	0	0	0	118.7
99	S	25.7	Very low	27.6	Very low	96 Å²	96	136 Å²	136	67%	0.671	77%	0.771	S	S	*	*			cis	-166.6	131	-24.2	49	0	0	0	0	112.7
100	S	25.3	Very low	27.4	Very low	89 Å²	89	131.9 Å²	131.9	62%	0.622	77%	0.767	S	S	*	*			trans	62.1	160.6	158.7	72.6	0	0	0	0	118
101	K	27.2	Very low	26.6	Very low	182 Å²	182	134.9 Å²	134.9	79%	0.791	78%	0.776	S	S	*	*			cis	-123.1	-179.7	-2	-67.3	80.7	-173.3	156.2	0	107.4
102	N	25.4	Very low	26.4	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	78%	0.777	S	S	*	*			cis	-151.3	180	9.8	-156.3	9.9	0	0	0	112.2
103	K	27.1	Very low	26.1	Very low	195 Å²	195	140 Å²	140	85%	0.848	78%	0.779	S	S	*	*			trans	-68.1	158.9	166.1	-52.7	175.8	178.5	-170.5	0	112.3
104	G	25.1	Very low	25.9	Very low	66 Å²	66	142 Å²	142	68%	0.68	78%	0.775	S	S	*	*			cis	167.1	171.6	-4.9	0	0	0	0	0	112.9
105	E	28.7	Very low	25.8	Very low	185 Å²	185	145 Å²	145	86%	0.864	78%	0.781	S	S	*	*			trans	16.8	141.8	139.4	-74.8	148.7	-145.6	0	0	120.1
106	E	27	Very low	25.8	Very low	176 Å²	176	142.8 Å²	142.8	82%	0.822	78%	0.778	S	S	*	*			cis	-170.5	178.9	-1.3	-142.8	-174.9	-153.4	0	0	111.6
107	S	26.4	Very low	25.7	Very low	110 Å²	110	142.6 Å²	142.6	77%	0.769	78%	0.776	S	S	*	*			trans	71.4	178.1	152.1	-153.3	0	0	0	0	119.6
108	S	25.9	Very low	24.8	Very low	97 Å²	97	144.1 Å²	144.1	68%	0.678	78%	0.784	S	S	*	*			trans	-136.3	158.1	-148.8	62.7	0	0	0	0	116.7
109	L	23.8	Very low	24.9	Very low	169 Å²	169	147.7 Å²	147.7	89%	0.885	79%	0.788	S	S	*	*			trans	27.1	102.8	152.6	-72	167.2	0	0	0	119.2
110	S	22.8	Very low	24.7	Very low	112 Å²	112	149 Å²	149	78%	0.783	80%	0.796	S	S	*	*				-160.6	113.4	129.5	43.8	0	0	0	0	112.7
111	L	24.9	Very low	24.6	Very low	174 Å²	174	151.1 Å²	151.1	91%	0.911	80%	0.8	S	S	*	*			trans	-177.2	118.3	131	-103	162.9	0	0	0	109.4
112	Y	22.1	Very low	24.5	Very low	203 Å²	203	149.8 Å²	149.8	80%	0.796	80%	0.797	S	S	*	*			trans	-119.8	130.9	-176.5	-170.2	-110.8	0	0	0	108
113	M	23	Very low	24.4	Very low	150 Å²	150	152 Å²	152	74%	0.739	79%	0.794	S	S	*	*			trans	67.5	150.5	-176.7	-31.3	-144.6	105	0	0	112.3
114	E	23	Very low	24.2	Very low	162 Å²	162	149.6 Å²	149.6	76%	0.757	79%	0.786	S	S	*	*			cis	-164.2	131.7	40.6	173.6	-175.9	-125.1	0	0	111.3
115	K	24.1	Very low	24.2	Very low	206 Å²	206	152.5 Å²	152.5	90%	0.896	79%	0.794	S	S	*	*			trans	-169	148.9	137.1	-108.9	154.7	-170.3	167.5	0	112.2
116	L	23.1	Very low	24.1	Very low	151 Å²	151	152.3 Å²	152.3	79%	0.791	79%	0.793	S	S	*	*			trans	-102.3	160.4	-163.7	-70.3	157.1	0	0	0	112.9
117	S	21.4	Very low	23.9	Very low	102 Å²	102	155.3 Å²	155.3	71%	0.713	80%	0.797	S	S	*	*			trans	55.8	120.8	144.4	62	0	0	0	0	120.3
118	T	25.3	Very low	24.3	Very low	147 Å²	147	160 Å²	160	90%	0.902	80%	0.804	S	S	*	*				-169.6	162.7	109.4	17.6	0	0	0	0	112.2
119	H	25.6	Very low	24.5	Very low	185 Å²	185	160.3 Å²	160.3	86%	0.856	80%	0.804	S	S	*	*			trans	-69.2	150.5	174.3	-75.9	-109.4	0	0	0	112.6
120	C	22.8	Very low	25.1	Very low	123 Å²	123	156.2 Å²	156.2	83%	0.831	80%	0.802	S	S	*	*				-169.8	175.7	110.2	-151	0	0	0	0	111.2
121	D	23	Very low	25.2	Very low	134 Å²	134	156.7 Å²	156.7	72%	0.717	80%	0.8	S	S	*	*			trans	-99.5	176.4	-165.9	-57.4	-85	0	0	0	115.4
122	Q	25.2	Very low	25.4	Very low	154 Å²	154	155.7 Å²	155.7	72%	0.72	80%	0.795	S	S	*	*			trans	88.6	121	151.2	-81.3	-177.3	70.4	0	0	121.8
123	R	23.1	Very low	25.6	Very low	190 Å²	190	153.5 Å²	153.5	72%	0.717	79%	0.792	S	S	*	*			trans	91.9	127.4	138.4	-71.2	170.6	-169.7	-101.4	4.2	121.8
124	E	22.7	Very low	26	Very low	146 Å²	146	157.6 Å²	157.6	68%	0.682	80%	0.8	S	S	*	*			trans	72.9	97.6	134.3	-68	161	-138.2	0	0	120
125	C	23.9	Very low	26.3	Very low	126 Å²	126	158.8 Å²	158.8	85%	0.851	81%	0.805	S	S	*	*				70.7	153	128.4	-83.1	0	0	0	0	123.5
126	E	26.6	Very low	26.4	Very low	181 Å²	181	159.9 Å²	159.9	85%	0.846	80%	0.804	S	S	*	*			trans	49.6	100.7	163	-63.9	-164.8	170.6	0	0	119.5
127	R	23.2	Very low	26.7	Very low	240 Å²	240	161.9 Å²	161.9	91%	0.906	80%	0.801	S	S	*	*			trans	-153.6	115.1	138.7	-106.1	153.9	-150.9	-163.4	5.4	111.6
128	K	34.3	Very low	27.2	Very low	207 Å²	207	160 Å²	160	90%	0.9	80%	0.797	S	S	*	*			trans	-65	142.5	152.2	-67.4	179.7	-179.9	176.6	0	107.9
129	P	29.9	Very low	27.7	Very low	105 Å²	105	160.9 Å²	160.9	68%	0.682	79%	0.792	S	S	*	*				-135.2	139.9	122.8	35.4	-26.1	0	0	0	112.2	V131	P129-V131 HydrophobicContact CG-CG2 4.47Å
130	G	37.8	Very low	28.6	Very low	82 Å²	82	159.2 Å²	159.2	85%	0.845	78%	0.777	S	S	*	*			trans	-73	136.3	158.6	0	0	0	0	0	109.4
131	V	25.2	Very low	30.1	Very low	122 Å²	122	157.7 Å²	157.7	74%	0.739	75%	0.754	S	S	*	*			trans	-132.5	134.5	175.1	-179.4	0	0	0	0	108.1	P129 E133	P129-V131 HydrophobicContact CG-CG2 4.47Å; V131-E133 PolarHBondContact O-N 3.39Å
132	N	27.4	Very low	32.2	Very low	153 Å²	153	154.2 Å²	154.2	82%	0.818	74%	0.736	S	S	*	*			trans	-65.1	114.3	179	-77.1	-39	0	0	0	111.1	R134	N132-R134 PolarHBondContact O-N 3.46Å; N132-R134 VanDerWaalsContact O-N 3.09Å
133	E	27	Very low	34.5	Very low	157 Å²	157	147.5 Å²	147.5	73%	0.734	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-65.4	-10.2	178.1	-79.4	-162.4	104.1	0	0	114.7	V131 Q135 R140	V131-E133 PolarHBondContact O-N 3.39Å; E133-Q135 PolarHBondContact O-N 2.87Å; E133-R140 IonicContact OE1-NH1 2.81Å
134	R	32.2	Very low	36.2	Very low	236 Å²	236	139.6 Å²	139.6	89%	0.891	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-65.5	-3.3	-171.5	-79	-170.8	170.1	-162.6	-4.5	116.4	N132	N132-R134 PolarHBondContact O-N 3.46Å; N132-R134 VanDerWaalsContact O-N 3.09Å
135	Q	28.9	Very low	37.6	Very low	188 Å²	188	134.4 Å²	134.4	88%	0.879	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-122	25.5	-179.2	-75.8	-172.5	-28.7	0	0	116	E133	E133-Q135 PolarHBondContact O-N 2.87Å
136	R	25.6	Very low	38.7	Very low	228 Å²	228	129 Å²	129	86%	0.86	62%	0.62	S	S	*	*			trans	-131.3	27.7	166.1	-76.6	-165.4	174.3	-166.2	-0.8	115.5	G138	R136-G138 PolarHBondContact O-N 3.44Å; R136-G138 VanDerWaalsContact O-N 3.14Å
137	R	30.9	Very low	39.7	Very low	193 Å²	193	122.3 Å²	122.3	73%	0.728	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-3.6	179	-105.2	-174.1	172	-162.6	-4.9	115.8	Q139 D689	R137-Q139 PolarHBondContact O-N 3.16Å; R137-D689 IonicContact CZ-OD2 3.98Å; R137-D689 IonicContact NH1-OD2 3.68Å; R137-D689 PolarHBondContact NH1-OD2 3.22Å; R137-D689 IonicContact NH2-OD2 3.97Å; R137-D689 PolarHBondContact NH2-OD2 3.34Å
138	G	30.3	Very low	40.6	Very low	62 Å²	62	111.7 Å²	111.7	64%	0.639	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.8	-170.1	0	0	0	0	0	117.6	R136 K756	R136-G138 PolarHBondContact O-N 3.44Å; R136-G138 VanDerWaalsContact O-N 3.14Å; G138-K756 PolarHBondContact O-NZ 2.73Å
139	Q	37.4	Very low	40.6	Very low	167 Å²	167	102.4 Å²	102.4	78%	0.78	51%	0.513	S	S	*	.	S	Bend	trans	-112.9	-3.9	-166.3	-78	178	-38.2	0	0	116.1	R137 K756	R137-Q139 PolarHBondContact O-N 3.16Å; Q139-K756 VanDerWaalsContact C-CE 3.44Å; Q139-K756 VanDerWaalsContact O-CD 3.23Å; Q139-K756 WeakPolarHBondContact O-CD 3.49Å; Q139-K756 VanDerWaalsContact O-CE 3.23Å; Q139-K756 WeakPolarHBondContact O-CE 3.39Å; Q139-K756 WeakPolarHBondContact O-CG 3.36Å
140	R	43.3	Very low	41.1	Very low	149 Å²	149	99.5 Å²	99.5	56%	0.562	49%	0.492	S	S	*	.			trans	-88.5	151.1	-179.3	-74.9	173.1	174.3	175.6	0.5	112.4	E133 T753 K756	E133-R140 IonicContact OE1-NH1 2.81Å; R140-T753 HydrophobicContact CB-CG2 3.62Å; R140-T753 HydrophobicContact CG-CG2 3.6Å; R140-K756 WeakPolarHBondContact O-CE 3.38Å
141	R	54.4	Low	41.2	Very low	91 Å²	91	96.9 Å²	96.9	34%	0.343	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	109	167.5	177.7	-176.5	173.9	-150.2	-8	108.9	Q632 L754 K756 M759	R141-Q632 PolarHBondContact NH1-O 2.88Å; R141-Q632 PolarHBondContact NH2-O 3.07Å; R141-L754 PolarHBondContact N-O 2.85Å; R141-L754 PolarHBondContact O-N 2.81Å; R141-K756 HydrophobicContact CB-CG 4.18Å; R141-M759 PolarHBondContact NH1-SD 3.16Å; R141-M759 VanDerWaalsContact NH1-SD 3.45Å
142	D	66.6	Low	41.7	Very low	61 Å²	61	94.1 Å²	94.1	33%	0.326	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	152.5	177.4	-57.5	-51.7	0	0	0	111.4	T580 F752 T753	D142-T580 VanDerWaalsContact O-CG2 3.31Å; D142-T580 WeakPolarHBondContact O-CG2 3.35Å; D142-F752 CarbonylContact C-O 3.57Å; D142-F752 WeakPolarHBondContact CA-O 3.44Å; D142-T753 WeakPolarHBondContact OD1-CB 3.48Å; D142-T753 WeakPolarHBondContact OD1-CG2 3.43Å; D142-T753 PolarHBondContact OD1-OG1 3.45Å
143	T	73.3	Confident	42	Very low	13 Å²	13	88.4 Å²	88.4	8%	0.08	41%	0.409	C	S	.	.			trans	-107.8	32.1	-172.8	73.9	0	0	0	0	113.3	T145 V631 F752 L754	T143-T145 PolarHBondContact O-N 2.95Å; T143-V631 WeakPolarHBondContact CB-O 3.41Å; T143-V631 HydrophobicContact CG2-CG1 3.8Å; T143-V631 VanDerWaalsContact CG2-O 3.22Å; T143-V631 WeakPolarHBondContact CG2-O 3.44Å; T143-F752 HydrophobicContact CG2-CB 4.01Å; T143-F752 WeakPolarHBondContact CG2-O 3.12Å; T143-F752 PolarHBondContact N-O 3.49Å; T143-F752 PolarHBondContact OG1-N 3.36Å; T143-F752 PolarHBondContact OG1-O 2.98Å; T143-L754 HydrophobicContact CG2-CD1 3.76Å; T143-L754 HydrophobicContact CG2-CD2 4.19Å; T143-L754 HydrophobicContact CG2-CG 3.55Å
144	T	59.8	Low	42.4	Very low	24 Å²	24	81.6 Å²	81.6	15%	0.147	38%	0.381	C	S	.	.			trans	-61.1	122.4	166.9	45	0	0	0	0	108.3	T580 Y767	T144-T580 PolarHBondContact O-OG1 2.8Å; T144-Y767 HydrophobicContact CG2-CD2 3.69Å; T144-Y767 HydrophobicContact CG2-CE2 3.57Å
145	T	52.9	Low	42.4	Very low	37 Å²	37	73.3 Å²	73.3	23%	0.227	35%	0.353	C	S	.	.			trans	-105.5	147.8	-174.9	43.1	0	0	0	0	109.7	T143 Q147 Y629	T143-T145 PolarHBondContact O-N 2.95Å; T145-Q147 PolarHBondContact O-N 3.49Å; T145-Q147 PolarHBondContact OG1-NE2 3.42Å; T145-Y629 HydrophobicContact CG2-CD1 4.37Å
146	S	45.7	Very low	42.3	Very low	13 Å²	13	69.9 Å²	69.9	9%	0.091	34%	0.336	C	S	.	.	S	Bend	trans	-70.5	50.8	177.2	38.7	0	0	0	0	112.3	D583 Y629 R898	S146-D583 PolarHBondContact OG-OD1 3.46Å; S146-Y629 VanDerWaalsContact OG-CE1 3.27Å; S146-Y629 WeakPolarHBondContact OG-CE1 3.41Å; S146-R898 PolarHBondContact O-NH1 2.89Å
147	Q	47.3	Very low	42.3	Very low	41 Å²	41	65.6 Å²	65.6	19%	0.192	33%	0.33	C	S	.	.			trans	-77.1	-11.6	173.1	-67.7	-176.5	12.1	0	0	111.9	T145 G149 D150 Q944	T145-Q147 PolarHBondContact O-N 3.49Å; T145-Q147 PolarHBondContact OG1-NE2 3.42Å; Q147-G149 PolarHBondContact O-N 2.94Å; Q147-D150 VanDerWaalsContact O-CA 3.31Å; Q147-D150 WeakPolarHBondContact O-CA 3.48Å; Q147-D150 WeakPolarHBondContact O-CB 3.33Å; Q147-D150 PolarHBondContact O-N 2.89Å; Q147-Q944 VanDerWaalsContact NE2-OE1 3.16Å
148	D	43.1	Very low	42	Very low	16 Å²	16	60.3 Å²	60.3	9%	0.086	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-63.4	-37.9	-160.3	-59.2	-87	0	0	0	115.2	D150 I151 P578 Y688 Y767	D148-D150 PolarHBondContact O-N 3.44Å; D148-I151 HydrophobicContact CB-CD1 3.65Å; D148-I151 HydrophobicContact CB-CG1 4.39Å; D148-I151 WeakPolarHBondContact O-CB 3.46Å; D148-I151 WeakPolarHBondContact O-CD1 3.45Å; D148-I151 WeakPolarHBondContact O-CG1 3.47Å; D148-I151 PolarHBondContact O-N 3.38Å; D148-P578 WeakPolarHBondContact OD2-CG 3.4Å; D148-Y688 HydrophobicContact CB-CE2 4.49Å; D148-Y688 VanDerWaalsContact CB-OH 3.24Å; D148-Y688 WeakPolarHBondContact CB-OH 3.42Å; D148-Y767 PolarHBondContact OD1-OH 2.67Å
149	G	34.1	Very low	41.6	Very low	12 Å²	12	63.3 Å²	63.3	12%	0.124	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64.2	-6.6	172.2	0	0	0	0	0	114.4	Q147 R899	Q147-G149 PolarHBondContact O-N 2.94Å; G149-R899 PolarHBondContact O-NH1 3.06Å
150	D	41.1	Very low	40.8	Very low	45 Å²	45	61.2 Å²	61.2	24%	0.241	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-103.4	14.3	174.1	-136.9	35.9	0	0	0	112.4	Q147 D148 E152 H892 R899 K937	Q147-D150 VanDerWaalsContact O-CA 3.31Å; Q147-D150 WeakPolarHBondContact O-CA 3.48Å; Q147-D150 WeakPolarHBondContact O-CB 3.33Å; Q147-D150 PolarHBondContact O-N 2.89Å; D148-D150 PolarHBondContact O-N 3.44Å; D150-E152 PolarHBondContact O-N 3.36Å; D150-H892 IonicContact OD1-CE1 2.9Å; D150-H892 IonicContact OD1-ND1 3.32Å; D150-R899 WeakPolarHBondContact OD1-CD 3.39Å; D150-R899 IonicContact OD1-CZ 3.01Å; D150-R899 IonicContact OD1-NE 3.19Å; D150-R899 IonicContact OD1-NH1 3.62Å; D150-R899 PolarHBondContact OD1-NH1 2.8Å; D150-K937 IonicContact OD1-NZ 2.67Å; D150-K937 PolarHBondContact OD1-NZ 3.05Å; D150-K937 WeakPolarHBondContact OD2-CE 3.47Å; D150-K937 IonicContact OD2-NZ 3.72Å; D150-K937 PolarHBondContact OD2-NZ 2.89Å
151	I	39.8	Very low	39.8	Very low	27 Å²	27	65.5 Å²	65.5	14%	0.138	36%	0.357	C	S	.	.			trans	-59.4	110.2	175.4	-78.5	159.2	0	0	0	111.3	D148 Y769 E777	D148-I151 HydrophobicContact CB-CD1 3.65Å; D148-I151 HydrophobicContact CB-CG1 4.39Å; D148-I151 WeakPolarHBondContact O-CB 3.46Å; D148-I151 WeakPolarHBondContact O-CD1 3.45Å; D148-I151 WeakPolarHBondContact O-CG1 3.47Å; D148-I151 PolarHBondContact O-N 3.38Å; I151-Y769 HydrophobicContact CD1-CE2 3.62Å; I151-Y769 HydrophobicContact CG1-CE2 4.15Å; I151-E777 HydrophobicContact CG2-CB 4.45Å; I151-E777 HydrophobicContact CG2-CG 3.84Å
152	E	35.5	Very low	38.3	Very low	63 Å²	63	66.8 Å²	66.8	29%	0.294	38%	0.38	S	S	.	.			trans	-102.9	63.9	149.2	-73.3	177.9	-129.7	0	0	108.4	D150 R802 H804 H882	D150-E152 PolarHBondContact O-N 3.36Å; E152-R802 IonicContact OE1-CZ 2.72Å; E152-R802 IonicContact OE1-NE 2.72Å; E152-R802 PolarHBondContact OE1-NE 3.46Å; E152-R802 IonicContact OE1-NH2 2.82Å; E152-R802 PolarHBondContact OE1-NH2 3.34Å; E152-H804 IonicContact OE2-ND1 2.71Å; E152-H882 IonicContact OE2-CE1 3.1Å; E152-H882 IonicContact OE2-NE2 3.83Å
153	S	32.1	Very low	36.1	Very low	33 Å²	33	72 Å²	72	23%	0.231	41%	0.408	C	S	.	.			trans	69.4	156.8	167.8	71.2	0	0	0	0	120.3
154	G	35.8	Very low	33.6	Very low	14 Å²	14	74.9 Å²	74.9	14%	0.144	44%	0.44	C	S	.	.			trans	-176.9	102.4	179.4	0	0	0	0	0	116.2	R744 D746 Y769	G154-R744 VanDerWaalsContact N-CZ 3.34Å; G154-R744 PolarHBondContact O-NH1 2.92Å; G154-D746 VanDerWaalsContact CA-CG 3.49Å; G154-D746 WeakPolarHBondContact CA-OD1 3.5Å; G154-D746 PolarHBondContact N-OD1 3.19Å; G154-Y769 WeakPolarHBondContact O-CB 3.18Å; G154-Y769 WeakPolarHBondContact O-CD1 3.4Å; G154-Y769 WeakPolarHBondContact O-CE1 3.49Å
155	E	32.2	Very low	32.2	Very low	63 Å²	63	79.7 Å²	79.7	29%	0.294	47%	0.471	S	S	.	.			trans	51.8	155.5	162.6	-58.7	-156.8	145.1	0	0	122.8	R744 D746	E155-R744 PolarHBondContact O-NH1 3.5Å; E155-D746 WeakPolarHBondContact CA-OD2 3.39Å; E155-D746 HydrophobicContact CG-CB 3.48Å; E155-D746 VanDerWaalsContact CG-CB 3.48Å; E155-D746 PolarHBondContact N-OD1 2.85Å; E155-D746 PolarHBondContact N-OD2 2.91Å
156	E	27.4	Very low	30.9	Very low	115 Å²	115	88 Å²	88	54%	0.537	51%	0.505	S	S	.	.			trans	-160.6	140.7	165.6	175	166.2	-63.1	0	0	108.6	K774	E156-K774 VanDerWaalsContact OE1-CD 3.32Å; E156-K774 WeakPolarHBondContact OE1-CD 3.47Å; E156-K774 WeakPolarHBondContact OE1-CE 3.32Å; E156-K774 IonicContact OE1-NZ 3.67Å; E156-K774 PolarHBondContact OE1-NZ 3.32Å
157	L	24.8	Very low	29.8	Very low	139 Å²	139	95.8 Å²	95.8	73%	0.728	54%	0.537	S	S	*	.			trans	-117.4	152.3	171.8	-96.4	169	0	0	0	111.2
158	A	24.5	Very low	28.8	Very low	81 Å²	81	101.2 Å²	101.2	67%	0.669	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-78.3	135.1	-163.6	0	0	0	0	0	114.4
159	C	21.7	Very low	27.9	Very low	126 Å²	126	108 Å²	108	85%	0.851	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-90.9	132.1	169.4	-174.2	0	0	0	0	111.3
160	S	21	Very low	27.5	Very low	122 Å²	122	116.9 Å²	116.9	85%	0.853	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-68.8	128.4	-172.2	-64.4	0	0	0	0	113.1
161	R	23	Very low	26.7	Very low	240 Å²	240	123.7 Å²	123.7	91%	0.906	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-89.3	126.2	169.5	-76.1	-171.7	172.2	-170.9	-2.2	111.6
162	S	21.9	Very low	26	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-70.9	131.2	177.2	49	0	0	0	0	112.2
163	N	21.4	Very low	25.5	Very low	171 Å²	171	137.2 Å²	137.2	91%	0.914	72%	0.718	S	S	*	*			trans	-87.2	110.8	177.7	-91.9	-44.8	0	0	0	111.8
164	G	21.5	Very low	25.2	Very low	72 Å²	72	143.7 Å²	143.7	74%	0.742	74%	0.742	S	S	*	*			trans	-108.1	123.3	168.4	0	0	0	0	0	111.3
165	P	29.4	Very low	24.8	Very low	125 Å²	125	152.4 Å²	152.4	81%	0.812	77%	0.771	S	S	*	*			trans	-90.2	133.7	-167.1	33	-34.8	0	0	0	114.1
166	K	25	Very low	24.4	Very low	212 Å²	212	156 Å²	156	92%	0.922	79%	0.792	S	S	*	*			trans	-134.9	144.1	159.3	-71.5	-169.5	177.1	175.9	0	111.7
167	K	23.2	Very low	24.5	Very low	176 Å²	176	156.4 Å²	156.4	77%	0.765	80%	0.798	S	S	*	*			trans	-104.5	170.1	-172.3	-62.8	176.3	178	174.7	0	111.7
168	H	26.1	Very low	25.3	Very low	155 Å²	155	155.6 Å²	155.6	72%	0.718	80%	0.801	S	S	*	*			trans	75.5	149.8	158	-56	-49.5	0	0	0	116.1
169	Q	25.1	Very low	25.5	Very low	160 Å²	160	156.7 Å²	156.7	75%	0.748	80%	0.796	S	S	*	*			cis	-152.7	161.6	-4.7	-127.3	167.4	23.6	0	0	111.5
170	K	24.9	Very low	25.8	Very low	197 Å²	197	162.6 Å²	162.6	86%	0.857	80%	0.8	S	S	*	*			trans	-75.4	145.8	164.5	-76.5	-179.7	175.4	176.1	0	110.7
171	Q	24.9	Very low	26.1	Very low	189 Å²	189	163.9 Å²	163.9	88%	0.883	80%	0.797	S	S	*	*			trans	-149.9	162.5	142.8	-115.1	177.3	71.4	0	0	111.3
172	Q	25.3	Very low	26.3	Very low	182 Å²	182	157.4 Å²	157.4	85%	0.85	80%	0.795	S	S	*	*			trans	-133.1	147.1	-166	-58.6	171.3	-65.2	0	0	113
173	K	24.7	Very low	26.4	Very low	192 Å²	192	155.3 Å²	155.3	84%	0.835	79%	0.792	S	S	*	*			trans	-171.8	132.2	135.9	-98.1	154.1	-178	179.9	0	106.5
174	K	25.6	Very low	27.6	Very low	168 Å²	168	153 Å²	153	73%	0.73	79%	0.786	S	S	*	*				54.8	131.1	75.1	-68.6	-170	174.9	-178.6	0	111.1
175	R	26.5	Very low	27.9	Very low	197 Å²	197	155.5 Å²	155.5	74%	0.743	79%	0.787	S	S	*	*			cis	-168.1	176.5	11.2	-120.5	175.3	174.6	-175	-2.4	107.1
176	D	24.6	Very low	28	Very low	138 Å²	138	154.4 Å²	154.4	74%	0.738	79%	0.789	S	S	*	*			cis	-145.1	176.2	14.6	-95.4	-53.7	0	0	0	110.4
177	D	28.7	Very low	28.1	Very low	125 Å²	125	148.5 Å²	148.5	67%	0.668	78%	0.779	S	S	*	*			trans	-135.4	148.6	172.1	175.3	38.3	0	0	0	108.1	N179	D177-N179 PolarHBondContact OD1-N 2.99Å
178	P	42.1	Very low	28.4	Very low	122 Å²	122	149.1 Å²	149.1	79%	0.792	79%	0.785	S	S	*	*				-149.4	108.3	112	34.9	-16	0	0	0	116
179	N	29.2	Very low	28.4	Very low	104 Å²	104	145.9 Å²	145.9	56%	0.556	79%	0.785	S	S	*	*				31.3	121.2	114.7	-178.8	1	0	0	0	118.5	D177	D177-N179 PolarHBondContact OD1-N 2.99Å
180	R	27.8	Very low	28.4	Very low	250 Å²	250	149.6 Å²	149.6	94%	0.943	79%	0.794	S	S	*	*			trans	-147.7	123.6	142.8	-121.2	176.7	-172.4	-170.3	1	113.9
181	N	27.7	Very low	28.6	Very low	149 Å²	149	144.8 Å²	144.8	80%	0.797	79%	0.791	S	S	*	*			trans	-71.4	143.4	175.8	-67.5	-38.6	0	0	0	113.4
182	A	26.8	Very low	28.8	Very low	104 Å²	104	139.3 Å²	139.3	86%	0.86	79%	0.786	S	S	*	*			trans	-162.2	112.5	143.3	0	0	0	0	0	111.9
183	G	24.6	Very low	29.5	Very low	73 Å²	73	137.2 Å²	137.2	75%	0.753	79%	0.787	S	S	*	*			trans	-105.2	-171.6	149.1	0	0	0	0	0	109.4
184	P	45.2	Very low	29.7	Very low	123 Å²	123	136.1 Å²	136.1	80%	0.799	79%	0.785	S	S	*	*			cis	-137.9	177.4	19.1	42.6	-24.8	0	0	0	117.1
185	T	29.3	Very low	29.9	Very low	124 Å²	124	134.3 Å²	134.3	76%	0.761	79%	0.788	S	S	*	*			trans	-5.1	132.4	159.6	55.5	0	0	0	0	122.9
186	A	30.3	Very low	30.8	Very low	102 Å²	102	129.8 Å²	129.8	84%	0.843	79%	0.785	S	S	*	*				64.6	152	129.4	0	0	0	0	0	120.3
187	A	28.3	Very low	31.1	Very low	88 Å²	88	129.8 Å²	129.8	73%	0.727	79%	0.79	S	S	*	*			cis	-151	172.1	8	0	0	0	0	0	113.6
188	E	27.7	Very low	31.2	Very low	190 Å²	190	128.1 Å²	128.1	89%	0.888	79%	0.794	S	S	*	*			trans	71.5	139.6	157	-61.1	-167.1	155.2	0	0	123.4
189	A	26.5	Very low	30.7	Very low	87 Å²	87	129.7 Å²	129.7	72%	0.719	80%	0.795	S	S	*	*			trans	98.3	128.2	138.4	0	0	0	0	0	123.5
190	Y	26.4	Very low	30.7	Very low	237 Å²	237	129 Å²	129	93%	0.929	80%	0.804	S	S	*	*			trans	72.1	164.3	151.1	-82.9	-69.4	0	0	0	123.7
191	A	28.5	Very low	30.7	Very low	97 Å²	97	120.2 Å²	120.2	80%	0.802	79%	0.791	S	S	*	*			trans	-87	163.5	-160.6	0	0	0	0	0	114.9
192	G	29.7	Very low	30.8	Very low	74 Å²	74	119.9 Å²	119.9	76%	0.763	79%	0.794	S	S	*	*			trans	-98.6	178.8	-178.3	0	0	0	0	0	116.2
193	P	40.3	Very low	30.9	Very low	137 Å²	137	119.4 Å²	119.4	89%	0.89	78%	0.784	S	S	*	*			trans	-119.2	-165.1	178.8	40.7	-27.1	0	0	0	114.5
194	Q	28	Very low	31	Very low	170 Å²	170	123.1 Å²	123.1	79%	0.794	78%	0.782	S	S	*	*			trans	-123.8	169.1	-161.1	-56.1	174.2	-26.6	0	0	115.3
195	T	30.2	Very low	30.2	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	78%	0.782	S	S	*	*			trans	69.5	169.1	148.6	43.1	0	0	0	0	118.6
196	P	44.7	Very low	30.1	Very low	103 Å²	103	127.7 Å²	127.7	67%	0.669	78%	0.784	S	S	*	*			cis	-141.1	161.8	14.3	44.4	-26.3	0	0	0	120.7
197	T	31	Very low	30.1	Very low	137 Å²	137	130.8 Å²	130.8	84%	0.84	78%	0.781	S	S	*	*			trans	49.5	152.6	141.2	58.7	0	0	0	0	122.9
198	A	31.3	Very low	30	Very low	91 Å²	91	133.7 Å²	133.7	75%	0.752	78%	0.78	S	S	*	*			cis	-147.8	-158.4	8.5	0	0	0	0	0	110.1
199	N	30.4	Very low	29.9	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	77%	0.774	S	S	*	*			cis	-160.6	178.2	2.9	-153.7	0.9	0	0	0	113.4
200	A	29.9	Very low	29.8	Very low	89 Å²	89	132.2 Å²	132.2	74%	0.736	77%	0.774	S	S	*	*			trans	5.4	149.2	158.3	0	0	0	0	0	123.8
201	G	28.8	Very low	29.7	Very low	65 Å²	65	130.5 Å²	130.5	67%	0.67	77%	0.771	S	S	*	*			cis	162.8	178.4	-4.2	0	0	0	0	0	114.9
202	V	28.7	Very low	29.4	Very low	142 Å²	142	134.9 Å²	134.9	86%	0.861	77%	0.772	S	S	*	*			trans	75.4	126.7	175.4	-173.4	0	0	0	0	113.8
203	S	28.8	Very low	29.1	Very low	94 Å²	94	135.8 Å²	135.8	66%	0.657	77%	0.767	S	S	*	*			cis	-172	162.4	1.7	49.6	0	0	0	0	110.9
204	E	27.2	Very low	28.5	Very low	152 Å²	152	138.4 Å²	138.4	71%	0.71	76%	0.764	S	S	*	*			cis	-171.3	164.2	-17.9	-109.7	-179.8	82.6	0	0	112.5
205	Q	27.6	Very low	28.5	Very low	170 Å²	170	139.8 Å²	139.8	79%	0.794	77%	0.768	S	S	*	*			trans	71.5	159.5	149.6	-72.3	-176.7	41.4	0	0	123.3
206	E	28.9	Very low	28.4	Very low	173 Å²	173	141.9 Å²	141.9	81%	0.808	77%	0.766	S	S	*	*			trans	-141	170.4	-153.9	-43.6	165.6	108.9	0	0	112.1
207	Q	28.5	Very low	27.5	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	76%	0.761	S	S	*	*				170.3	129.7	108.8	-88.9	-165.4	5.3	0	0	116.2
208	E	28.1	Very low	27.4	Very low	148 Å²	148	142.5 Å²	142.5	69%	0.692	75%	0.753	S	S	*	*			trans	17.6	126.7	140	-149	-160.8	-128.9	0	0	122.9
209	K	25.6	Very low	27.2	Very low	178 Å²	178	145 Å²	145	77%	0.774	75%	0.753	S	S	*	*				157.1	164.1	125	-83.9	170.6	-179.2	72.7	0	111.6
210	G	23.5	Very low	26.9	Very low	69 Å²	69	146.7 Å²	146.7	71%	0.711	75%	0.753	S	S	*	*			trans	-146.2	-154.6	-175.1	0	0	0	0	0	115.3
211	K	23.5	Very low	26.8	Very low	201 Å²	201	150.2 Å²	150.2	87%	0.874	75%	0.752	S	S	*	*			trans	97.3	113.2	-180	-63	173.3	177.9	167.4	0	118.1
212	K	22.8	Very low	27.6	Very low	189 Å²	189	151.1 Å²	151.1	82%	0.822	75%	0.746	S	S	*	*				58.1	113.1	123.4	-65.9	-173.9	174.2	-178.4	0	121.8
213	S	23.7	Very low	27.5	Very low	92 Å²	92	151.5 Å²	151.5	64%	0.643	74%	0.739	S	S	*	*				119	129.2	119.3	-60.5	0	0	0	0	120.7
214	K	26.6	Very low	27.4	Very low	193 Å²	193	151 Å²	151	84%	0.839	74%	0.74	S	S	*	*			trans	63.8	152	133.2	-67.7	170.7	-175.8	172.5	0	117.9
215	K	28.7	Very low	27.5	Very low	199 Å²	199	152.3 Å²	152.3	87%	0.865	75%	0.746	S	S	*	*			cis	-131.8	172	-1.8	-92.2	147.1	178.2	176.7	0	106.2
216	K	29.1	Very low	27.4	Very low	173 Å²	173	153 Å²	153	75%	0.752	75%	0.747	S	S	*	*			cis	-134	-148.9	2	-139.6	177.3	168.6	-171.8	0	105.5
217	N	25.5	Very low	27.3	Very low	108 Å²	108	151.7 Å²	151.7	58%	0.578	75%	0.745	S	S	*	*			cis	-146.4	128.1	-13	-146.7	27.1	0	0	0	104.6
218	Q	29.4	Very low	27.2	Very low	144 Å²	144	151.3 Å²	151.3	67%	0.673	75%	0.745	S	S	*	*				52.8	121.2	101.1	-65.6	-162	102.4	0	0	116.3
219	L	26.2	Very low	27	Very low	143 Å²	143	152.3 Å²	152.3	75%	0.749	75%	0.75	S	S	*	*			cis	-123.5	143.3	2.5	-105.5	55.8	0	0	0	108.6
220	K	24.7	Very low	26.9	Very low	192 Å²	192	147.9 Å²	147.9	84%	0.835	75%	0.746	S	S	*	*				55.5	140.4	67.7	-83.2	-165.2	174.2	-171.1	0	115
221	K	27.5	Very low	27	Very low	163 Å²	163	151.5 Å²	151.5	71%	0.709	76%	0.755	S	S	*	*			cis	167.8	175.4	-21	-116	-149.4	151.2	-153.2	0	106.3	E223	K221-E223 IonicContact NZ-OE1 2.63Å; K221-E223 PolarHBondContact NZ-OE1 3.46Å
222	P	44.7	Very low	27.1	Very low	83 Å²	83	148.5 Å²	148.5	54%	0.539	75%	0.747	S	S	.	*			cis	-145.4	-170.9	-38.4	41.5	-22.9	0	0	0	116.1
223	E	26.2	Very low	27.3	Very low	151 Å²	151	148.1 Å²	148.1	71%	0.706	75%	0.745	S	S	*	*			trans	59.2	155	141.6	-74	133.9	-134.7	0	0	121.1	K221	K221-E223 IonicContact NZ-OE1 2.63Å; K221-E223 PolarHBondContact NZ-OE1 3.46Å
224	A	27.6	Very low	27.3	Very low	84 Å²	84	151.5 Å²	151.5	69%	0.694	76%	0.756	S	S	*	*			cis	-166.8	151.3	-27.3	0	0	0	0	0	111
225	E	28.8	Very low	27.4	Very low	179 Å²	179	147.5 Å²	147.5	84%	0.836	75%	0.752	S	S	*	*			trans	25.7	123.9	155.9	-59.3	177.7	177.2	0	0	122.4
226	K	26.6	Very low	27.3	Very low	184 Å²	184	142.9 Å²	142.9	80%	0.8	75%	0.751	S	S	*	*				179.2	146	108.9	-100.7	176.8	-179.7	177.1	0	117
227	N	26.3	Very low	27.2	Very low	145 Å²	145	142.4 Å²	142.4	78%	0.775	76%	0.756	S	S	*	*			trans	69.1	154.8	147.4	-70.8	20.8	0	0	0	123.4
228	M	26	Very low	28.1	Very low	159 Å²	159	141.9 Å²	141.9	78%	0.783	76%	0.759	S	S	*	*			trans	-52.2	165.4	161.7	-64.7	138.9	59.1	0	0	111.8
229	E	25	Very low	28.1	Very low	170 Å²	170	143.3 Å²	143.3	79%	0.794	77%	0.766	S	S	*	*			cis	-161	-177	39.3	-155.4	156.1	-127.2	0	0	113.5
230	A	23.9	Very low	28.3	Very low	84 Å²	84	142 Å²	142	69%	0.694	76%	0.758	S	S	*	*			trans	-46.9	155.5	-169	0	0	0	0	0	119.7
231	V	24.7	Very low	28.3	Very low	146 Å²	146	140.9 Å²	140.9	89%	0.885	76%	0.756	S	S	*	*				176.5	154.8	112.8	153.1	0	0	0	0	112.9
232	L	24.9	Very low	28.2	Very low	138 Å²	138	137.8 Å²	137.8	72%	0.723	76%	0.755	S	S	*	*			trans	-60	151.6	-174.6	-69.2	151.8	0	0	0	118.1
233	K	27	Very low	27.7	Very low	180 Å²	180	139.7 Å²	139.7	78%	0.783	77%	0.767	S	S	*	*			trans	51.1	138.9	138.6	-66.7	177.9	178.3	-178.1	0	120.5
234	L	25.1	Very low	27.7	Very low	164 Å²	164	142 Å²	142	86%	0.859	78%	0.775	S	S	*	*				-167.6	165.9	102.1	-103.7	167.6	0	0	0	114.2
235	S	28.4	Very low	28.2	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	78%	0.777	S	S	*	*			trans	-87.3	169.4	179.1	46.3	0	0	0	0	112.8
236	A	25.6	Very low	28.1	Very low	101 Å²	101	141.2 Å²	141.2	84%	0.835	77%	0.771	S	S	*	*			trans	-95.2	141.7	179.5	0	0	0	0	0	113
237	D	27.6	Very low	28.3	Very low	163 Å²	163	141.3 Å²	141.3	87%	0.872	77%	0.774	S	S	*	*			trans	-160.4	149.3	160.4	-137.7	-4.5	0	0	0	108.9
238	P	44.6	Very low	28.3	Very low	98 Å²	98	137.9 Å²	137.9	64%	0.636	77%	0.773	S	S	*	*			trans	-113.6	133.7	-168.7	37.1	-27.5	0	0	0	117.2
239	Q	29	Very low	28.5	Very low	174 Å²	174	140.2 Å²	140.2	81%	0.813	78%	0.779	S	S	*	*			trans	74.7	151.9	148.6	-64.4	-174.9	16.2	0	0	118.3
240	I	29.5	Very low	28.7	Very low	116 Å²	116	137.8 Å²	137.8	60%	0.595	78%	0.781	S	S	*	*			cis	-151.9	143	12.5	-135.9	160.2	0	0	0	113.1
241	Q	25.7	Very low	28.8	Very low	167 Å²	167	137.6 Å²	137.6	78%	0.78	79%	0.787	S	S	*	*			trans	52.1	158	155.2	-65.5	164.2	33.6	0	0	121.6
242	S	25.8	Very low	28.9	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	79%	0.788	S	S	*	*			cis	-178.9	178.6	-27.4	69.2	0	0	0	0	108.6
243	P	33.7	Very low	29.5	Very low	124 Å²	124	139 Å²	139	81%	0.805	79%	0.786	S	S	*	*			cis	-125.8	-165.4	-27.4	37.4	-17.9	0	0	0	113.8
244	K	25.7	Very low	29.4	Very low	200 Å²	200	139.5 Å²	139.5	87%	0.87	79%	0.791	S	S	*	*			trans	-101	175.4	-178.6	-55.5	176.4	176.7	174.7	0	113.4
245	P	39	Very low	29.7	Very low	113 Å²	113	140.4 Å²	140.4	73%	0.734	79%	0.791	S	S	*	*				-153.8	160.7	87.5	40.1	-21.3	0	0	0	119.4
246	N	26.9	Very low	29.8	Very low	132 Å²	132	141.3 Å²	141.3	71%	0.706	79%	0.794	S	S	*	*			trans	51.8	124.1	145.8	-66.8	-2.7	0	0	0	123.2
247	Q	30.4	Very low	29.8	Very low	186 Å²	186	141.4 Å²	141.4	87%	0.869	80%	0.795	S	S	*	*				69.4	131.6	76.2	-65.8	-175.7	28.3	0	0	114.9
248	G	26.6	Very low	29.7	Very low	73 Å²	73	136.8 Å²	136.8	75%	0.753	79%	0.786	S	S	*	*			cis	177.9	-175.3	-2.7	0	0	0	0	0	113.8
249	K	30	Very low	28.8	Very low	209 Å²	209	139.1 Å²	139.1	91%	0.909	80%	0.798	S	S	*	*			trans	16.3	143.2	159.3	-66	-179.5	-178.2	179.7	0	120.2
250	S	28.4	Very low	28.7	Very low	119 Å²	119	137.6 Å²	137.6	83%	0.832	80%	0.795	S	S	*	*			cis	-179.6	154.4	3.3	44.9	0	0	0	0	111.3
251	G	25.9	Very low	28.6	Very low	79 Å²	79	137 Å²	137	81%	0.814	80%	0.801	S	S	*	*			trans	150	140.7	161.6	0	0	0	0	0	117
252	K	26.8	Very low	29.3	Very low	209 Å²	209	135 Å²	135	91%	0.909	80%	0.803	S	S	*	*			trans	-118.2	172.8	165	-78.1	-172.3	177.1	-177.7	0	107.4
253	P	38.6	Very low	29.3	Very low	105 Å²	105	134 Å²	134	68%	0.682	81%	0.808	S	S	*	*			cis	-140.9	-172.1	12.6	44	-25.3	0	0	0	117.1
254	Q	23.7	Very low	29.1	Very low	190 Å²	190	137.8 Å²	137.8	89%	0.888	82%	0.815	S	S	*	*			trans	75.5	154.5	152.9	-81.1	165.8	-26.9	0	0	121.2
255	Q	32.7	Very low	29.5	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	82%	0.818	S	S	*	*			trans	-98	167.2	-178.7	-59.1	173.4	-30.6	0	0	110.7
256	P	30.2	Very low	29.1	Very low	129 Å²	129	137 Å²	137	84%	0.838	82%	0.823	S	S	*	*				-143.2	-174.8	95	39	-24.2	0	0	0	115.1
257	A	24.8	Very low	29.4	Very low	103 Å²	103	140.3 Å²	140.3	85%	0.851	83%	0.831	S	S	*	*			trans	-65.2	169.6	171.4	0	0	0	0	0	112.7
258	G	24.9	Very low	29.5	Very low	66 Å²	66	139.3 Å²	139.3	68%	0.68	83%	0.831	S	S	*	*			cis	-168.9	-175.2	5.2	0	0	0	0	0	109.6
259	V	26.3	Very low	29.9	Very low	146 Å²	146	145.1 Å²	145.1	89%	0.885	84%	0.836	S	S	*	*				-176.4	147.8	93.2	146.4	0	0	0	0	111.3
260	N	26.1	Very low	30	Very low	143 Å²	143	138.7 Å²	138.7	77%	0.765	83%	0.829	S	S	*	*			trans	-44.8	166	168	-65.6	-21.6	0	0	0	115.3
261	S	28.1	Very low	30.4	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	83%	0.826	S	S	*	*			cis	-179.1	-167.2	-7.4	-88.2	0	0	0	0	105.5
262	P	40	Very low	31	Very low	126 Å²	126	148 Å²	148	82%	0.818	83%	0.832	S	S	*	*			cis	-111.2	-172.3	-19.6	40.9	-27	0	0	0	110.9
263	G	26.5	Very low	31.9	Very low	76 Å²	76	149.3 Å²	149.3	78%	0.784	83%	0.831	S	S	*	*			cis	133.7	105.1	-8.6	0	0	0	0	0	112.9
264	E	30.1	Very low	32.5	Very low	203 Å²	203	149.5 Å²	149.5	95%	0.949	84%	0.835	S	S	*	*			trans	-138.3	153.3	173.1	-153	171.6	-139.3	0	0	110.4
265	K	33.3	Very low	34.2	Very low	216 Å²	216	147.8 Å²	147.8	94%	0.939	83%	0.825	S	S	*	*			trans	-115	111.4	-166.2	-71.1	177.4	179.6	171.6	0	113.1
266	G	29.9	Very low	36.2	Very low	81 Å²	81	145 Å²	145	84%	0.835	81%	0.81	S	S	*	*			trans	-114	125.7	163.1	0	0	0	0	0	111.3
267	K	34.4	Very low	38.5	Very low	202 Å²	202	145.2 Å²	145.2	88%	0.878	80%	0.8	S	S	*	*			trans	-86	135.3	174.1	-69.9	179.2	179.8	176.5	0	110.4
268	N	31.4	Very low	41.5	Very low	164 Å²	164	142.4 Å²	142.4	88%	0.877	77%	0.772	S	S	*	*				-167.8	119	124.3	-97.4	-17	0	0	0	111.1
269	K	36.5	Very low	44.8	Very low	196 Å²	196	139.7 Å²	139.7	85%	0.852	74%	0.741	S	S	*	*			trans	-85.8	126.6	160.2	-83.4	-171.1	170.5	-168.1	0	107.7
270	G	30.8	Very low	48	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	72%	0.719	S	S	*	*			trans	-107.1	107.5	161.7	0	0	0	0	0	109	R272	G270-R272 PolarHBondContact O-N 3.4Å; G270-R272 VanDerWaalsContact O-N 3.07Å
271	D	36.9	Very low	51.3	Low	144 Å²	144	133.4 Å²	133.4	77%	0.77	71%	0.705	S	S	*	*			trans	-69.8	104.1	175.8	-81.5	-31.6	0	0	0	110.2	R273	D271-R273 PolarHBondContact O-N 3.09Å
272	R	39.4	Very low	54.6	Low	248 Å²	248	132.1 Å²	132.1	94%	0.936	69%	0.685	S	S	*	*			trans	-69.8	88.3	156.9	-89.8	-174.6	165.6	-179.4	-4.3	108	G270 S274	G270-R272 PolarHBondContact O-N 3.4Å; G270-R272 VanDerWaalsContact O-N 3.07Å; R272-S274 PolarHBondContact O-N 2.87Å
273	R	45.7	Very low	57.3	Low	237 Å²	237	128.5 Å²	128.5	89%	0.894	66%	0.658	S	S	*	*			trans	-51.6	109.5	160.8	-76.7	-176.2	171.8	-171.5	-3.9	107.8	D271 K275	D271-R273 PolarHBondContact O-N 3.09Å; R273-K275 PolarHBondContact O-N 3.23Å
274	S	51.7	Low	60.6	Low	109 Å²	109	127.4 Å²	127.4	76%	0.762	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-63.6	118.7	168.1	49.5	0	0	0	0	107.7	R272 K276	R272-S274 PolarHBondContact O-N 2.87Å; S274-K276 PolarHBondContact O-N 2.89Å
275	K	58.8	Low	63.6	Low	154 Å²	154	123.3 Å²	123.3	67%	0.67	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-53.9	135.4	168.7	-65.7	179.3	179	-173.7	0	108.5	R273 Q277 D505	R273-K275 PolarHBondContact O-N 3.23Å; K275-Q277 PolarHBondContact O-N 3.44Å; K275-D505 HydrophobicContact CB-CB 4.33Å; K275-D505 HydrophobicContact CD-CB 4.14Å; K275-D505 WeakPolarHBondContact CD-OD2 3.49Å; K275-D505 WeakPolarHBondContact CE-OD2 3.48Å; K275-D505 IonicContact NZ-OD2 2.69Å; K275-D505 PolarHBondContact NZ-OD2 3.21Å
276	K	73.9	Confident	66.5	Low	126 Å²	126	120.2 Å²	120.2	55%	0.548	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-63.2	128.5	173.5	-60.5	-177.8	-171.8	177.6	0	107.9	S274 D396	S274-K276 PolarHBondContact O-N 2.89Å; K276-D396 IonicContact NZ-OD1 3.04Å; K276-D396 PolarHBondContact NZ-OD1 3.24Å; K276-D396 IonicContact NZ-OD2 3.39Å; K276-D396 PolarHBondContact NZ-OD2 3.06Å
277	Q	78.8	Confident	69.6	Low	133 Å²	133	121.6 Å²	121.6	62%	0.621	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-71.3	130.3	174.3	-67.9	-178.5	-33	0	0	108.3	K275 V504	K275-Q277 PolarHBondContact O-N 3.44Å; Q277-V504 HydrophobicContact CG-CG2 4.18Å
278	V	88.4	Confident	72.4	Confident	43 Å²	43	112.2 Å²	112.2	26%	0.261	56%	0.555	S	S	.	*	S	Bend	trans	-83.2	-37.1	179.2	174.4	0	0	0	0	110.1	V504 N507	V278-V504 PolarHBondContact N-O 3.13Å; V278-N507 WeakPolarHBondContact CG1-OD1 3.46Å; V278-N507 WeakPolarHBondContact CG2-OD1 3.35Å
279	F	94	Very high	75.4	Confident	9 Å²	9	106.5 Å²	106.5	4%	0.039	53%	0.529	C	S	.	.	S	Bend	trans	-126.5	147.9	-173	-65	-75.2	0	0	0	111.1	V328 R333 W502 V504 S506	F279-V328 HydrophobicContact CE1-CG1 4.1Å; F279-V328 WeakPolarHBondContact CE1-O 3.3Å; F279-V328 HydrophobicContact CZ-CG1 4.08Å; F279-R333 HydrophobicContact CB-CG 4.25Å; F279-R333 HydrophobicContact CD1-CG 4.07Å; F279-R333 HydrophobicContact CD2-CG 3.75Å; F279-R333 HydrophobicContact CE1-CG 4.32Å; F279-R333 HydrophobicContact CE2-CG 4.02Å; F279-R333 HydrophobicContact CG-CG 3.78Å; F279-R333 HydrophobicContact CZ-CG 4.3Å; F279-W502 AromaticContact CE2-CE2 3.87Å; F279-W502 AromaticContact CE2-CZ2 3.98Å; F279-W502 HydrophobicContact CE2-CZ2 3.98Å; F279-W502 AromaticContact CE2-NE1 3.52Å; F279-W502 HydrophobicContact CZ-CH2 4.47Å; F279-W502 AromaticContact CZ-CZ2 3.69Å; F279-W502 HydrophobicContact CZ-CZ2 3.69Å; F279-V504 PolarHBondContact N-O 2.91Å; F279-S506 WeakPolarHBondContact CE2-O 3.38Å
280	E	94	Very high	78.1	Confident	88 Å²	88	102.1 Å²	102.1	41%	0.411	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-65.7	140.9	174.7	-165.1	173.7	-171	0	0	111.2	N332 R333 K434	E280-N332 PolarHBondContact O-ND2 2.84Å; E280-N332 PolarHBondContact O-OD1 3.43Å; E280-N332 VanDerWaalsContact O-OD1 3.06Å; E280-R333 VanDerWaalsContact O-CZ 3.29Å; E280-R333 PolarHBondContact O-NH1 3.08Å; E280-R333 PolarHBondContact O-NH2 3.15Å; E280-K434 IonicContact OE1-NZ 2.72Å; E280-K434 PolarHBondContact OE1-NZ 3.44Å; E280-K434 WeakPolarHBondContact OE2-CD 3.42Å; E280-K434 WeakPolarHBondContact OE2-CE 3.25Å; E280-K434 IonicContact OE2-NZ 2.63Å; E280-K434 PolarHBondContact OE2-NZ 2.93Å
281	S	95.6	Very high	81	Confident	69 Å²	69	98.6 Å²	98.6	48%	0.483	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-60.8	144.1	169	-65.7	0	0	0	0	110.3
282	Y	96.6	Very high	83.7	Confident	77 Å²	77	94.6 Å²	94.6	30%	0.302	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-66.7	147.1	172	-58.9	-56.6	0	0	0	110.9	N332 R333 V436 I438	Y282-N332 WeakPolarHBondContact CE1-O 3.35Å; Y282-N332 PolarHBondContact OH-O 2.8Å; Y282-R333 VanDerWaalsContact CD1-NH2 3.32Å; Y282-R333 VanDerWaalsContact CZ-NH2 3.25Å; Y282-R333 PolarHBondContact OH-NE 2.9Å; Y282-V436 VanDerWaalsContact CA-O 3.3Å; Y282-V436 WeakPolarHBondContact CA-O 3.31Å; Y282-I438 HydrophobicContact CE1-CD1 4.39Å; Y282-I438 HydrophobicContact CE1-CG1 4.13Å; Y282-I438 VanDerWaalsContact OH-CD1 3.3Å; Y282-I438 WeakPolarHBondContact OH-CD1 3.15Å
283	M	96.6	Very high	86.2	Confident	50 Å²	50	90.1 Å²	90.1	25%	0.246	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-63.8	159.3	171.2	-71.6	177.4	178.9	0	0	111.5	E287 V288 L297 V436 Y437	M283-E287 HydrophobicContact CB-CB 4.37Å; M283-V288 HydrophobicContact CB-CG2 3.83Å; M283-L297 HydrophobicContact SD-CD1 4.17Å; M283-V436 HydrophobicContact CE-CB 3.98Å; M283-V436 HydrophobicContact CE-CG1 3.78Å; M283-V436 HydrophobicContact CE-CG2 4.4Å; M283-V436 HydrophobicContact CG-CB 4.08Å; M283-V436 PolarHBondContact N-O 3.45Å; M283-V436 HydrophobicContact SD-CB 3.72Å; M283-V436 HydrophobicContact SD-CG1 4.2Å; M283-V436 HydrophobicContact SD-CG2 3.77Å; M283-Y437 VanDerWaalsContact O-CD2 3.22Å; M283-Y437 WeakPolarHBondContact O-CD2 3.16Å; M283-Y437 WeakPolarHBondContact O-CE2 3.31Å
284	S	96.1	Very high	88.4	Confident	52 Å²	52	86 Å²	86	36%	0.364	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-69.1	156	170.4	70.1	0	0	0	0	111.7	E286 E287 V288	S284-E286 PolarHBondContact O-N 3.46Å; S284-E287 WeakPolarHBondContact CB-OE2 3.42Å; S284-E287 PolarHBondContact N-OE2 2.86Å; S284-E287 PolarHBondContact O-N 2.97Å; S284-E287 VanDerWaalsContact OG-CD 3.26Å; S284-E287 VanDerWaalsContact OG-CG 3.26Å; S284-E287 WeakPolarHBondContact OG-CG 3.38Å; S284-E287 PolarHBondContact OG-N 3.2Å; S284-E287 PolarHBondContact OG-OE2 3.21Å; S284-V288 WeakPolarHBondContact O-CB 3.38Å; S284-V288 VanDerWaalsContact O-CG2 3.3Å; S284-V288 WeakPolarHBondContact O-CG2 3.24Å; S284-V288 PolarHBondContact O-N 2.81Å
285	L	93.2	Very high	90.2	Very high	117 Å²	117	83 Å²	83	61%	0.613	41%	0.411	S	S	*	.	H	α-helix	trans	-61.7	-28.2	177.4	-174.7	62.5	0	0	0	112.4	S289 Y437	L285-S289 VanDerWaalsContact O-CB 3.27Å; L285-S289 WeakPolarHBondContact O-CB 3.27Å; L285-S289 PolarHBondContact O-N 3.35Å; L285-Y437 HydrophobicContact CD1-CE1 4.37Å
286	E	94.2	Very high	91.7	Very high	151 Å²	151	80.7 Å²	80.7	71%	0.706	40%	0.403	S	S	*	.	H	α-helix	trans	-70.6	-51.4	176.5	-65.8	177.1	-166.3	0	0	111	S284 V288 S289 H290	S284-E286 PolarHBondContact O-N 3.46Å; E286-V288 VanDerWaalsContact C-N 3.3Å; E286-V288 PolarHBondContact O-N 3.07Å; E286-S289 PolarHBondContact O-N 2.81Å; E286-H290 WeakPolarHBondContact O-CB 3.48Å; E286-H290 PolarHBondContact O-CD2 2.99Å; E286-H290 PolarHBondContact O-N 3.04Å
287	E	94.4	Very high	92.7	Very high	110 Å²	110	75.1 Å²	75.1	51%	0.514	38%	0.379	S	S	.	.	H	α-helix	trans	-56.7	-44.3	174.7	-70.8	161.9	129.3	0	0	111.4	M283 S284 H290 G291	M283-E287 HydrophobicContact CB-CB 4.37Å; S284-E287 WeakPolarHBondContact CB-OE2 3.42Å; S284-E287 PolarHBondContact N-OE2 2.86Å; S284-E287 PolarHBondContact O-N 2.97Å; S284-E287 VanDerWaalsContact OG-CD 3.26Å; S284-E287 VanDerWaalsContact OG-CG 3.26Å; S284-E287 WeakPolarHBondContact OG-CG 3.38Å; S284-E287 PolarHBondContact OG-N 3.2Å; S284-E287 PolarHBondContact OG-OE2 3.21Å; E287-H290 PolarHBondContact O-N 3.35Å; E287-G291 PolarHBondContact O-N 3.3Å
288	V	93.8	Very high	93.4	Very high	5 Å²	5	71.4 Å²	71.4	3%	0.03	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-48.6	175.5	168.8	0	0	0	0	111.3	M283 S284 E286 H290 G291 L292 V341 Y437	M283-V288 HydrophobicContact CB-CG2 3.83Å; S284-V288 WeakPolarHBondContact O-CB 3.38Å; S284-V288 VanDerWaalsContact O-CG2 3.3Å; S284-V288 WeakPolarHBondContact O-CG2 3.24Å; S284-V288 PolarHBondContact O-N 2.81Å; E286-V288 VanDerWaalsContact C-N 3.3Å; E286-V288 PolarHBondContact O-N 3.07Å; V288-H290 VanDerWaalsContact C-N 3.31Å; V288-H290 PolarHBondContact O-N 2.76Å; V288-G291 PolarHBondContact O-N 3.15Å; V288-L292 HydrophobicContact CG1-CD1 3.76Å; V288-L292 HydrophobicContact CG1-CG 4.45Å; V288-L292 WeakPolarHBondContact O-CB 3.36Å; V288-L292 VanDerWaalsContact O-CG 3.29Å; V288-L292 WeakPolarHBondContact O-CG 3.23Å; V288-L292 PolarHBondContact O-N 3.36Å; V288-V341 HydrophobicContact CG1-CB 4.47Å; V288-V341 HydrophobicContact CG1-CG1 4.37Å; V288-V341 HydrophobicContact CG1-CG2 3.82Å; V288-Y437 HydrophobicContact CG2-CD1 4.49Å; V288-Y437 HydrophobicContact CG2-CD2 4Å; V288-Y437 HydrophobicContact CG2-CG 3.83Å
289	S	93.3	Very high	93.6	Very high	45 Å²	45	74.2 Å²	74.2	32%	0.315	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-39.1	178.8	-166.6	0	0	0	0	112.1	L285 E286 K293	L285-S289 VanDerWaalsContact O-CB 3.27Å; L285-S289 WeakPolarHBondContact O-CB 3.27Å; L285-S289 PolarHBondContact O-N 3.35Å; E286-S289 PolarHBondContact O-N 2.81Å; S289-K293 WeakPolarHBondContact O-CB 3.39Å; S289-K293 VanDerWaalsContact O-CD 3.26Å; S289-K293 WeakPolarHBondContact O-CD 3.47Å; S289-K293 WeakPolarHBondContact O-CG 3.42Å; S289-K293 PolarHBondContact O-N 2.98Å; S289-K293 PolarHBondContact OG-NZ 2.88Å
290	H	93.4	Very high	93.6	Very high	103 Å²	103	74.4 Å²	74.4	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-73	-42	177.6	-80.3	-72.2	0	0	0	112.6	E286 E287 V288 K293 R294	E286-H290 WeakPolarHBondContact O-CB 3.48Å; E286-H290 PolarHBondContact O-CD2 2.99Å; E286-H290 PolarHBondContact O-N 3.04Å; E287-H290 PolarHBondContact O-N 3.35Å; V288-H290 VanDerWaalsContact C-N 3.31Å; V288-H290 PolarHBondContact O-N 2.76Å; H290-K293 PolarHBondContact O-N 2.89Å; H290-R294 WeakPolarHBondContact O-CG 3.44Å; H290-R294 PolarHBondContact O-N 3.46Å
291	G	93.1	Very high	93.6	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-65.1	-40.2	177.3	0	0	0	0	0	113.1	E287 V288 R294 G295 E296 L297	E287-G291 PolarHBondContact O-N 3.3Å; V288-G291 PolarHBondContact O-N 3.15Å; G291-R294 PolarHBondContact O-N 3.43Å; G291-G295 PolarHBondContact O-N 2.89Å; G291-G295 VanDerWaalsContact O-N 3.07Å; G291-E296 PolarHBondContact O-N 3.14Å; G291-L297 PolarHBondContact O-N 2.83Å
292	L	92.3	Very high	93.6	Very high	60 Å²	60	71.2 Å²	71.2	31%	0.314	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-41.8	171.9	-72.9	166.9	0	0	0	111.6	V288 R294 G295 L297 Q299 V341	V288-L292 HydrophobicContact CG1-CD1 3.76Å; V288-L292 HydrophobicContact CG1-CG 4.45Å; V288-L292 WeakPolarHBondContact O-CB 3.36Å; V288-L292 VanDerWaalsContact O-CG 3.29Å; V288-L292 WeakPolarHBondContact O-CG 3.23Å; V288-L292 PolarHBondContact O-N 3.36Å; L292-R294 VanDerWaalsContact C-N 3.29Å; L292-R294 PolarHBondContact O-N 3.09Å; L292-G295 PolarHBondContact O-N 3.35Å; L292-L297 HydrophobicContact CD2-CB 4.27Å; L292-L297 HydrophobicContact CG-CB 4.32Å; L292-Q299 HydrophobicContact CD2-CB 4.08Å; L292-V341 HydrophobicContact CD1-CG2 4.39Å; L292-V341 HydrophobicContact CD2-CG1 4.17Å; L292-V341 HydrophobicContact CG-CG1 4.41Å
293	K	92.2	Very high	93.5	Very high	154 Å²	154	74.6 Å²	74.6	67%	0.67	37%	0.366	S	S	*	.	H	α-helix	trans	-67.4	-25.2	176.1	-75	164.7	-175.6	149.6	0	113.7	S289 H290	S289-K293 WeakPolarHBondContact O-CB 3.39Å; S289-K293 VanDerWaalsContact O-CD 3.26Å; S289-K293 WeakPolarHBondContact O-CD 3.47Å; S289-K293 WeakPolarHBondContact O-CG 3.42Å; S289-K293 PolarHBondContact O-N 2.98Å; S289-K293 PolarHBondContact OG-NZ 2.88Å; H290-K293 PolarHBondContact O-N 2.89Å
294	R	92.7	Very high	93.4	Very high	151 Å²	151	72.5 Å²	72.5	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-89.7	-10.8	175.6	-67.7	-169.2	-55	-103.5	-3.1	113.7	H290 G291 L292 E296	H290-R294 WeakPolarHBondContact O-CG 3.44Å; H290-R294 PolarHBondContact O-N 3.46Å; G291-R294 PolarHBondContact O-N 3.43Å; L292-R294 VanDerWaalsContact C-N 3.29Å; L292-R294 PolarHBondContact O-N 3.09Å; R294-E296 VanDerWaalsContact C-N 3.27Å; R294-E296 HydrophobicContact CB-CG 4.08Å; R294-E296 WeakPolarHBondContact CD-OE1 3.42Å; R294-E296 IonicContact CZ-OE1 2.72Å; R294-E296 IonicContact CZ-OE2 2.72Å; R294-E296 VanDerWaalsContact CZ-OE2 3.3Å; R294-E296 IonicContact NE-OE1 2.69Å; R294-E296 PolarHBondContact NE-OE1 3.46Å; R294-E296 IonicContact NE-OE2 2.74Å; R294-E296 PolarHBondContact NE-OE2 2.82Å; R294-E296 VanDerWaalsContact NE-OE2 3.09Å; R294-E296 IonicContact NH2-OE1 3.75Å; R294-E296 IonicContact NH2-OE2 2.6Å; R294-E296 PolarHBondContact NH2-OE2 2.7Å
295	G	88.1	Confident	93	Very high	46 Å²	46	71 Å²	71	47%	0.474	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	12	-173.9	0	0	0	0	0	114.4	G291 L292 H298	G291-G295 PolarHBondContact O-N 2.89Å; G291-G295 VanDerWaalsContact O-N 3.07Å; L292-G295 PolarHBondContact O-N 3.35Å; G295-H298 PolarHBondContact O-CE1 3.21Å; G295-H298 VanDerWaalsContact O-CE1 3.29Å
296	E	92.1	Very high	92.5	Very high	104 Å²	104	68.5 Å²	68.5	49%	0.486	33%	0.334	S	S	.	.	S	Bend	trans	-79.1	-29.9	176.2	-69	164.1	-164.3	0	0	111.9	G291 R294	G291-E296 PolarHBondContact O-N 3.14Å; R294-E296 VanDerWaalsContact C-N 3.27Å; R294-E296 HydrophobicContact CB-CG 4.08Å; R294-E296 WeakPolarHBondContact CD-OE1 3.42Å; R294-E296 IonicContact CZ-OE1 2.72Å; R294-E296 IonicContact CZ-OE2 2.72Å; R294-E296 VanDerWaalsContact CZ-OE2 3.3Å; R294-E296 IonicContact NE-OE1 2.69Å; R294-E296 PolarHBondContact NE-OE1 3.46Å; R294-E296 IonicContact NE-OE2 2.74Å; R294-E296 PolarHBondContact NE-OE2 2.82Å; R294-E296 VanDerWaalsContact NE-OE2 3.09Å; R294-E296 IonicContact NH2-OE1 3.75Å; R294-E296 IonicContact NH2-OE2 2.6Å; R294-E296 PolarHBondContact NH2-OE2 2.7Å
297	L	94	Very high	91.8	Very high	10 Å²	10	65.1 Å²	65.1	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.8	177.4	-60.6	-179.2	0	0	0	109.8	M283 G291 L292 V341 I342 Q343 V436	M283-L297 HydrophobicContact SD-CD1 4.17Å; G291-L297 PolarHBondContact O-N 2.83Å; L292-L297 HydrophobicContact CD2-CB 4.27Å; L292-L297 HydrophobicContact CG-CB 4.32Å; L297-V341 HydrophobicContact CB-CG1 3.69Å; L297-V341 HydrophobicContact CD1-CG1 4.03Å; L297-V341 HydrophobicContact CG-CG1 4.34Å; L297-I342 WeakPolarHBondContact CA-O 3.37Å; L297-Q343 HydrophobicContact CD2-CB 3.75Å; L297-Q343 HydrophobicContact CD2-CG 4.16Å; L297-V436 HydrophobicContact CD1-CG2 4.36Å; L297-V436 HydrophobicContact CD2-CG2 4.04Å
298	H	93	Very high	91.5	Very high	54 Å²	54	62 Å²	62	25%	0.25	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.3	-179.3	-59.6	81.8	0	0	0	110	G295 V341 I342	G295-H298 PolarHBondContact O-CE1 3.21Å; G295-H298 VanDerWaalsContact O-CE1 3.29Å; H298-V341 CarbonylContact O-C 3.58Å; H298-V341 WeakPolarHBondContact O-CA 3.49Å; H298-I342 HydrophobicContact CB-CD1 4.43Å; H298-I342 HydrophobicContact CB-CG1 4.08Å; H298-I342 PolarHBondContact N-O 3.17Å; H298-I342 VanDerWaalsContact O-CG1 3.31Å; H298-I342 WeakPolarHBondContact O-CG1 3.42Å; H298-I342 PolarHBondContact O-N 3.5Å
299	Q	94.1	Very high	91.3	Very high	103 Å²	103	67.3 Å²	67.3	48%	0.481	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.4	176.7	-178.8	-178.5	-45.8	0	0	110	L292 I339 V340 V439	L292-Q299 HydrophobicContact CD2-CB 4.08Å; Q299-I339 HydrophobicContact CG-CG2 3.74Å; Q299-V340 WeakPolarHBondContact CA-O 3.34Å; Q299-V439 HydrophobicContact CG-CG2 4.24Å
300	G	92.4	Very high	91.2	Very high	13 Å²	13	68.2 Å²	68.2	13%	0.134	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	173.1	174.5	0	0	0	0	0	113.2	V340	G300-V340 PolarHBondContact N-O 2.88Å; G300-V340 PolarHBondContact O-N 3.38Å
301	Q	93.9	Very high	91.2	Very high	89 Å²	89	65.9 Å²	65.9	42%	0.416	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.8	176.3	-172.7	168.9	44.9	0	0	110.9	P315 G337 D338 I339	Q301-P315 WeakPolarHBondContact O-CD 3.26Å; Q301-G337 WeakPolarHBondContact CG-O 3.48Å; Q301-G337 PolarHBondContact NE2-O 3.1Å; Q301-D338 WeakPolarHBondContact CA-O 3.38Å; Q301-I339 HydrophobicContact CB-CD1 3.79Å; Q301-I339 HydrophobicContact CG-CD1 3.95Å
302	L	95.8	Very high	91.3	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	32%	0.315	C	S	.	.			trans	-81	125.1	-178.6	179.5	59.1	0	0	0	112.1	I304 A312 I314 L325 R331 A334 G337 D338 V340	L302-I304 HydrophobicContact CG-CG1 4.32Å; L302-A312 HydrophobicContact CD1-CB 3.85Å; L302-I314 HydrophobicContact CD1-CD1 4.43Å; L302-I314 HydrophobicContact CD1-CG1 4.17Å; L302-L325 HydrophobicContact CD1-CD1 3.48Å; L302-L325 VanDerWaalsContact CD1-CD1 3.48Å; L302-R331 HydrophobicContact CD1-CG 4.39Å; L302-R331 HydrophobicContact CD2-CG 3.8Å; L302-A334 HydrophobicContact CD2-CB 3.37Å; L302-G337 WeakPolarHBondContact O-CA 3.38Å; L302-G337 PolarHBondContact O-N 3.15Å; L302-D338 PolarHBondContact N-O 3.34Å; L302-V340 HydrophobicContact CB-CG1 4.32Å; L302-V340 HydrophobicContact CB-CG2 4.12Å; L302-V340 HydrophobicContact CD2-CG1 4.3Å
303	R	94.6	Very high	91.3	Very high	147 Å²	147	64 Å²	64	56%	0.555	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.5	170.2	-68.8	160.6	54.1	85.7	0.6	108.8	A312 F313	R303-A312 CarbonylContact O-C 3.53Å; R303-A312 VanDerWaalsContact O-CA 3.25Å; R303-A312 WeakPolarHBondContact O-CA 3.5Å; R303-A312 WeakPolarHBondContact O-CB 3.43Å; R303-F313 PolarHBondContact N-O 3.28Å; R303-F313 PolarHBondContact O-N 2.69Å
304	I	94.4	Very high	91.3	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.7	174.1	-53.5	176	0	0	0	108.1	L302 P306 A312 N336 R468	L302-I304 HydrophobicContact CG-CG1 4.32Å; I304-P306 WeakPolarHBondContact O-CD 3.37Å; I304-A312 HydrophobicContact CG1-CB 4.22Å; I304-N336 HydrophobicContact CB-CB 4.25Å; I304-N336 HydrophobicContact CD1-CB 3.95Å; I304-N336 HydrophobicContact CG1-CB 4.03Å; I304-N336 PolarHBondContact N-OD1 3.22Å; I304-R468 HydrophobicContact CB-CB 4.03Å; I304-R468 HydrophobicContact CB-CG 3.98Å; I304-R468 HydrophobicContact CD1-CB 4.3Å; I304-R468 HydrophobicContact CG2-CB 3.91Å; I304-R468 HydrophobicContact CG2-CG 3.88Å; I304-R468 WeakPolarHBondContact O-CD 3.34Å
305	N	88.3	Confident	91	Very high	20 Å²	20	51.9 Å²	51.9	11%	0.107	26%	0.261	C	S	.	.			trans	-63.7	121.6	174.8	176.4	-7.9	0	0	0	109.2	K307 N308 E311	N305-K307 PolarHBondContact O-N 3.38Å; N305-K307 PolarHBondContact OD1-N 2.89Å; N305-N308 WeakPolarHBondContact CB-O 3.38Å; N305-N308 CarbonylContact O-C 3.55Å; N305-N308 PolarHBondContact OD1-N 3.35Å; N305-E311 HydrophobicContact CB-CB 3.95Å; N305-E311 PolarHBondContact N-O 3.04Å; N305-E311 PolarHBondContact ND2-OE2 2.72Å
306	P	83.2	Confident	90.7	Very high	65 Å²	65	50 Å²	50	42%	0.422	24%	0.241	S	C	.	.	S	Bend	trans	-70.9	-13.8	-178.7	28.3	-33.8	0	0	0	114.2	I304 R468	I304-P306 WeakPolarHBondContact O-CD 3.37Å; P306-R468 HydrophobicContact CB-CG 4.21Å
307	K	79.8	Confident	89.8	Confident	80 Å²	80	49.5 Å²	49.5	35%	0.348	25%	0.246	S	C	.	.	S	Bend	trans	-103.5	-35.1	-176.4	-55.9	-167.5	179.4	-176	0	112.2	N305 D360	N305-K307 PolarHBondContact O-N 3.38Å; N305-K307 PolarHBondContact OD1-N 2.89Å; K307-D360 VanDerWaalsContact CE-OD1 3.24Å; K307-D360 WeakPolarHBondContact CE-OD1 3.23Å; K307-D360 VanDerWaalsContact NZ-C 3.34Å; K307-D360 PolarHBondContact NZ-O 3.32Å; K307-D360 IonicContact NZ-OD1 2.67Å; K307-D360 PolarHBondContact NZ-OD1 3.29Å; K307-D360 IonicContact NZ-OD2 2.62Å; K307-D360 PolarHBondContact NZ-OD2 3.35Å
308	N	86.1	Confident	88.9	Confident	44 Å²	44	53 Å²	53	24%	0.235	27%	0.265	C	S	.	.			trans	-122	96.2	162.9	-176	5.9	0	0	0	111	N305 N310 E311	N305-N308 WeakPolarHBondContact CB-O 3.38Å; N305-N308 CarbonylContact O-C 3.55Å; N305-N308 PolarHBondContact OD1-N 3.35Å; N308-N310 PolarHBondContact O-N 3.25Å; N308-N310 WeakPolarHBondContact OD1-CB 3.17Å; N308-N310 PolarHBondContact OD1-N 3.11Å; N308-N310 PolarHBondContact OD1-ND2 3.42Å; N308-E311 HydrophobicContact CB-CG 4.35Å; N308-E311 VanDerWaalsContact ND2-CD 3.34Å; N308-E311 PolarHBondContact ND2-OE1 2.83Å; N308-E311 PolarHBondContact O-N 3.06Å
309	Y	90.9	Very high	87.6	Confident	116 Å²	116	54 Å²	54	46%	0.455	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.7	-178	68.7	-100.5	0	0	0	114.6	E311 V328 R331 H467	Y309-E311 VanDerWaalsContact C-N 3.33Å; Y309-V328 HydrophobicContact CD2-CG2 3.95Å; Y309-V328 HydrophobicContact CE2-CG2 4.01Å; Y309-R331 PolarHBondContact O-NH1 3.47Å; Y309-H467 WeakPolarHBondContact CB-O 3.4Å
310	N	91.6	Very high	86.6	Confident	64 Å²	64	52.5 Å²	52.5	34%	0.342	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.3	172.8	-58.9	-71.3	0	0	0	112.1	N308 G327	N308-N310 PolarHBondContact O-N 3.25Å; N308-N310 WeakPolarHBondContact OD1-CB 3.17Å; N308-N310 PolarHBondContact OD1-N 3.11Å; N308-N310 PolarHBondContact OD1-ND2 3.42Å; N310-G327 WeakPolarHBondContact O-CA 3.39Å; N310-G327 PolarHBondContact O-N 3.09Å
311	E	92.5	Very high	85.8	Confident	55 Å²	55	55.9 Å²	55.9	26%	0.257	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.7	176.9	-67.2	161.8	-156.9	0	0	110.1	N305 N308 Y309 F313 F324	N305-E311 HydrophobicContact CB-CB 3.95Å; N305-E311 PolarHBondContact N-O 3.04Å; N305-E311 PolarHBondContact ND2-OE2 2.72Å; N308-E311 HydrophobicContact CB-CG 4.35Å; N308-E311 VanDerWaalsContact ND2-CD 3.34Å; N308-E311 PolarHBondContact ND2-OE1 2.83Å; N308-E311 PolarHBondContact O-N 3.06Å; Y309-E311 VanDerWaalsContact C-N 3.33Å; E311-F313 HydrophobicContact CB-CE2 4.04Å; E311-F324 HydrophobicContact CB-CE2 3.94Å; E311-F324 HydrophobicContact CG-CE2 3.9Å; E311-F324 HydrophobicContact CG-CZ 4.07Å
312	A	94.4	Very high	85.5	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.9	169.2	0	0	0	0	0	111.4	L302 R303 I304 L325	L302-A312 HydrophobicContact CD1-CB 3.85Å; R303-A312 CarbonylContact O-C 3.53Å; R303-A312 VanDerWaalsContact O-CA 3.25Å; R303-A312 WeakPolarHBondContact O-CA 3.5Å; R303-A312 WeakPolarHBondContact O-CB 3.43Å; I304-A312 HydrophobicContact CG1-CB 4.22Å; A312-L325 HydrophobicContact CB-CB 4.11Å; A312-L325 HydrophobicContact CB-CD1 4.17Å; A312-L325 PolarHBondContact N-O 2.81Å; A312-L325 WeakPolarHBondContact O-CB 3.35Å; A312-L325 PolarHBondContact O-N 2.79Å
313	F	93.8	Very high	85.3	Confident	19 Å²	19	53.3 Å²	53.3	8%	0.083	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.8	-167.1	-61.4	-92.1	0	0	0	110.2	R303 E311 D322 I323 F324 D356	R303-F313 PolarHBondContact N-O 3.28Å; R303-F313 PolarHBondContact O-N 2.69Å; E311-F313 HydrophobicContact CB-CE2 4.04Å; F313-D322 HydrophobicContact CB-CB 4.15Å; F313-D322 HydrophobicContact CD1-CB 4.29Å; F313-I323 WeakPolarHBondContact CA-O 3.2Å; F313-F324 HydrophobicContact CD1-CD2 4.11Å; F313-F324 AromaticContact CE1-CD2 3.66Å; F313-F324 HydrophobicContact CE1-CD2 3.66Å; F313-F324 HydrophobicContact CE1-CE2 4.29Å; F313-F324 AromaticContact CZ-CD2 3.88Å; F313-F324 HydrophobicContact CZ-CD2 3.88Å; F313-F324 HydrophobicContact CZ-CE2 4.05Å; F313-D356 VanDerWaalsContact CE1-OD1 3.3Å; F313-D356 WeakPolarHBondContact CE1-OD1 3.41Å; F313-D356 VanDerWaalsContact CZ-OD1 3.3Å; F313-D356 WeakPolarHBondContact CZ-OD1 3.45Å
314	I	91.9	Very high	85.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.2	172.2	-71	159.4	0	0	0	108.5	L302 S316 D322 I323 L325 V340 I342	L302-I314 HydrophobicContact CD1-CD1 4.43Å; L302-I314 HydrophobicContact CD1-CG1 4.17Å; I314-S316 PolarHBondContact O-N 3.07Å; I314-D322 CarbonylContact O-C 3.6Å; I314-D322 WeakPolarHBondContact O-CA 3.22Å; I314-I323 PolarHBondContact N-O 3.01Å; I314-I323 PolarHBondContact O-N 3.16Å; I314-L325 HydrophobicContact CD1-CD1 3.84Å; I314-L325 HydrophobicContact CD1-CG 4.39Å; I314-L325 HydrophobicContact CG1-CD1 4.41Å; I314-V340 HydrophobicContact CD1-CG2 3.5Å; I314-V340 VanDerWaalsContact CD1-CG2 3.5Å; I314-V340 HydrophobicContact CG1-CG2 4.21Å; I314-I342 HydrophobicContact CD1-CB 4.48Å; I314-I342 HydrophobicContact CD1-CD1 4.12Å; I314-I342 HydrophobicContact CD1-CG1 4.37Å; I314-I342 HydrophobicContact CD1-CG2 3.36Å; I314-I342 HydrophobicContact CG2-CD1 4.45Å
315	P	86.2	Confident	85.2	Confident	50 Å²	50	46.5 Å²	46.5	33%	0.325	24%	0.242	S	C	.	.			trans	-54.2	127	175.2	-27	35.6	0	0	0	111.9	Q301	Q301-P315 WeakPolarHBondContact O-CD 3.26Å
316	S	81.1	Confident	85.4	Confident	7 Å²	7	49 Å²	49	5%	0.049	26%	0.256	C	S	.	.			trans	-72.7	138.5	178.1	-177.8	0	0	0	0	110.5	I314 D318 D319 R321 K431	I314-S316 PolarHBondContact O-N 3.07Å; S316-D318 VanDerWaalsContact CB-OD1 3.27Å; S316-D318 WeakPolarHBondContact CB-OD1 3.3Å; S316-D318 PolarHBondContact O-N 2.72Å; S316-D318 VanDerWaalsContact OG-CG 3.23Å; S316-D318 PolarHBondContact OG-OD1 3.25Å; S316-D319 PolarHBondContact O-N 2.88Å; S316-R321 WeakPolarHBondContact CB-O 3.32Å; S316-K431 PolarHBondContact OG-NZ 2.81Å
317	P	74.2	Confident	85.8	Confident	92 Å²	92	46.9 Å²	46.9	60%	0.597	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.4	178.6	-26.4	36.5	0	0	0	115.6
318	D	73.9	Confident	86.4	Confident	83 Å²	83	44.6 Å²	44.6	44%	0.444	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	3.1	175.4	59.2	21.8	0	0	0	113.9	S316 T320 K431	S316-D318 VanDerWaalsContact CB-OD1 3.27Å; S316-D318 WeakPolarHBondContact CB-OD1 3.3Å; S316-D318 PolarHBondContact O-N 2.72Å; S316-D318 VanDerWaalsContact OG-CG 3.23Å; S316-D318 PolarHBondContact OG-OD1 3.25Å; D318-T320 HydrophobicContact CB-CG2 4.1Å; D318-T320 VanDerWaalsContact CG-OG1 3.28Å; D318-T320 PolarHBondContact O-N 3.12Å; D318-T320 WeakPolarHBondContact OD1-CB 3.48Å; D318-T320 WeakPolarHBondContact OD1-CG2 3.5Å; D318-T320 PolarHBondContact OD1-N 3.03Å; D318-T320 VanDerWaalsContact OD1-N 3.11Å; D318-T320 PolarHBondContact OD1-OG1 3.12Å; D318-K431 IonicContact OD1-NZ 3.61Å; D318-K431 IonicContact OD2-NZ 2.88Å; D318-K431 PolarHBondContact OD2-NZ 2.75Å
319	D	65.9	Low	86.8	Confident	76 Å²	76	46.8 Å²	46.8	41%	0.406	25%	0.253	S	S	.	.	S	Bend	trans	50.7	21.5	-175	-155.7	41.1	0	0	0	115.4	S316 K808	S316-D319 PolarHBondContact O-N 2.88Å; D319-K808 IonicContact OD1-NZ 3.79Å; D319-K808 PolarHBondContact OD1-NZ 3.44Å
320	T	72.9	Confident	87.1	Confident	72 Å²	72	42 Å²	42	44%	0.442	24%	0.237	S	C	.	.	S	Bend	trans	-77.4	-60	-176.8	57.9	0	0	0	0	112.9	D318 K810	D318-T320 HydrophobicContact CB-CG2 4.1Å; D318-T320 VanDerWaalsContact CG-OG1 3.28Å; D318-T320 PolarHBondContact O-N 3.12Å; D318-T320 WeakPolarHBondContact OD1-CB 3.48Å; D318-T320 WeakPolarHBondContact OD1-CG2 3.5Å; D318-T320 PolarHBondContact OD1-N 3.03Å; D318-T320 VanDerWaalsContact OD1-N 3.11Å; D318-T320 PolarHBondContact OD1-OG1 3.12Å; T320-K810 WeakPolarHBondContact O-CD 3.29Å
321	R	77.4	Confident	87.3	Confident	83 Å²	83	39.1 Å²	39.1	31%	0.313	22%	0.222	S	C	.	.	S	Bend	trans	-150.3	144.1	172.4	-57.9	-170.2	-169.8	-177.6	7.4	108.3	S316 D427 K810	S316-R321 WeakPolarHBondContact CB-O 3.32Å; R321-D427 PolarHBondContact NH1-O 3.12Å; R321-D427 PolarHBondContact NH2-O 2.96Å; R321-D427 IonicContact NH2-OD1 2.65Å; R321-K810 HydrophobicContact CG-CD 4.26Å
322	D	86.3	Confident	87.5	Confident	35 Å²	35	36.6 Å²	36.6	19%	0.187	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-59.7	143.3	174.2	-72.3	14.1	0	0	0	110.5	F313 I314 Q430	F313-D322 HydrophobicContact CB-CB 4.15Å; F313-D322 HydrophobicContact CD1-CB 4.29Å; I314-D322 CarbonylContact O-C 3.6Å; I314-D322 WeakPolarHBondContact O-CA 3.22Å; D322-Q430 PolarHBondContact O-NE2 3.45Å
323	I	90.9	Very high	87.6	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.8	-179	-58.7	171	0	0	0	108.4	F313 I314 I342 I344 K431 A433	F313-I323 WeakPolarHBondContact CA-O 3.2Å; I314-I323 PolarHBondContact N-O 3.01Å; I314-I323 PolarHBondContact O-N 3.16Å; I323-I342 HydrophobicContact CB-CD1 4.29Å; I323-I342 HydrophobicContact CD1-CD1 3.77Å; I323-I342 HydrophobicContact CG2-CD1 3.97Å; I323-I344 HydrophobicContact CD1-CD1 4.26Å; I323-K431 HydrophobicContact CG1-CB 4.43Å; I323-K431 HydrophobicContact CG1-CD 4.36Å; I323-K431 HydrophobicContact CG2-CB 4.31Å; I323-A433 HydrophobicContact CG2-CB 3.51Å
324	F	93.8	Very high	87.7	Confident	12 Å²	12	36.2 Å²	36.2	5%	0.053	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.1	-174.4	-175.8	-122.5	0	0	0	112.3	E311 F313 D326 K351 V353 Q430 K431 T432 A433	E311-F324 HydrophobicContact CB-CE2 3.94Å; E311-F324 HydrophobicContact CG-CE2 3.9Å; E311-F324 HydrophobicContact CG-CZ 4.07Å; F313-F324 HydrophobicContact CD1-CD2 4.11Å; F313-F324 AromaticContact CE1-CD2 3.66Å; F313-F324 HydrophobicContact CE1-CD2 3.66Å; F313-F324 HydrophobicContact CE1-CE2 4.29Å; F313-F324 AromaticContact CZ-CD2 3.88Å; F313-F324 HydrophobicContact CZ-CD2 3.88Å; F313-F324 HydrophobicContact CZ-CE2 4.05Å; F324-D326 HydrophobicContact CD1-CB 4.37Å; F324-D326 HydrophobicContact CE1-CB 3.9Å; F324-K351 HydrophobicContact CE1-CD 4.39Å; F324-V353 HydrophobicContact CB-CG2 4.41Å; F324-V353 HydrophobicContact CD1-CG2 3.85Å; F324-V353 HydrophobicContact CD2-CG2 4.44Å; F324-V353 HydrophobicContact CE1-CG2 4.24Å; F324-V353 HydrophobicContact CG-CG2 3.98Å; F324-Q430 HydrophobicContact CB-CG 4.27Å; F324-K431 PolarHBondContact N-O 3.39Å; F324-T432 HydrophobicContact CD1-CG2 4.11Å; F324-T432 CarbonylContact O-C 3.58Å; F324-T432 WeakPolarHBondContact O-CA 3.33Å; F324-A433 PolarHBondContact O-N 3.3Å
325	L	93.1	Very high	87.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.3	172.3	-61.1	178	0	0	0	108.9	L302 A312 I314 G327 I342 A433 V435	L302-L325 HydrophobicContact CD1-CD1 3.48Å; L302-L325 VanDerWaalsContact CD1-CD1 3.48Å; A312-L325 HydrophobicContact CB-CB 4.11Å; A312-L325 HydrophobicContact CB-CD1 4.17Å; A312-L325 PolarHBondContact N-O 2.81Å; A312-L325 WeakPolarHBondContact O-CB 3.35Å; A312-L325 PolarHBondContact O-N 2.79Å; I314-L325 HydrophobicContact CD1-CD1 3.84Å; I314-L325 HydrophobicContact CD1-CG 4.39Å; I314-L325 HydrophobicContact CG1-CD1 4.41Å; L325-G327 PolarHBondContact O-N 3.37Å; L325-I342 HydrophobicContact CD2-CG2 4.14Å; L325-A433 HydrophobicContact CD2-CB 3.9Å; L325-A433 VanDerWaalsContact CD2-O 3.23Å; L325-A433 WeakPolarHBondContact CD2-O 3.41Å; L325-V435 HydrophobicContact CD1-CG2 3.82Å; L325-V435 HydrophobicContact CD2-CG2 4.41Å
326	D	93.1	Very high	88.4	Confident	73 Å²	73	35.7 Å²	35.7	39%	0.39	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	99.1	-174.5	-170.8	62.9	0	0	0	111.6	F324 A330 K351	F324-D326 HydrophobicContact CD1-CB 4.37Å; F324-D326 HydrophobicContact CE1-CB 3.9Å; D326-A330 WeakPolarHBondContact O-CB 3.35Å; D326-K351 WeakPolarHBondContact OD1-CE 3.33Å; D326-K351 IonicContact OD1-NZ 2.69Å; D326-K351 PolarHBondContact OD1-NZ 3.27Å; D326-K351 WeakPolarHBondContact OD2-CE 3.44Å; D326-K351 IonicContact OD2-NZ 3.76Å; D326-K351 PolarHBondContact OD2-NZ 3.13Å
327	G	91.5	Very high	88.9	Confident	19 Å²	19	36 Å²	36	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	82.1	166	175.3	0	0	0	0	0	115	N310 L325 V329 A330 R331	N310-G327 WeakPolarHBondContact O-CA 3.39Å; N310-G327 PolarHBondContact O-N 3.09Å; L325-G327 PolarHBondContact O-N 3.37Å; G327-V329 PolarHBondContact O-N 2.75Å; G327-A330 PolarHBondContact O-N 2.69Å; G327-R331 PolarHBondContact O-N 3.48Å
328	V	93.4	Very high	90	Very high	32 Å²	32	31.7 Å²	31.7	19%	0.194	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-31.4	-177.8	-174.1	0	0	0	0	112	F279 Y309 R331 N332 W502	F279-V328 HydrophobicContact CE1-CG1 4.1Å; F279-V328 WeakPolarHBondContact CE1-O 3.3Å; F279-V328 HydrophobicContact CZ-CG1 4.08Å; Y309-V328 HydrophobicContact CD2-CG2 3.95Å; Y309-V328 HydrophobicContact CE2-CG2 4.01Å; V328-R331 WeakPolarHBondContact O-CB 3.26Å; V328-R331 PolarHBondContact O-N 3.42Å; V328-N332 PolarHBondContact O-N 3.27Å; V328-W502 HydrophobicContact CG1-CH2 4.14Å; V328-W502 HydrophobicContact CG1-CZ2 4.4Å
329	V	94.8	Very high	91	Very high	90 Å²	90	28.9 Å²	28.9	55%	0.545	16%	0.163	S	C	.	.	H	α-helix	trans	-65.3	-47.4	177.8	-177.2	0	0	0	0	111.5	G327 R331 N332	G327-V329 PolarHBondContact O-N 2.75Å; V329-R331 VanDerWaalsContact C-N 3.27Å; V329-R331 PolarHBondContact O-N 2.87Å; V329-N332 WeakPolarHBondContact O-CA 3.44Å; V329-N332 PolarHBondContact O-N 3.28Å
330	A	95.4	Very high	92.5	Very high	16 Å²	16	25.2 Å²	25.2	13%	0.132	14%	0.144	C	C	.	.	H	α-helix	trans	-65.6	-30.1	176.1	0	0	0	0	0	112.4	D326 G327 N332 K434 V435	D326-A330 WeakPolarHBondContact O-CB 3.35Å; G327-A330 PolarHBondContact O-N 2.69Å; A330-N332 PolarHBondContact O-N 3.01Å; A330-K434 WeakPolarHBondContact O-CA 3.18Å; A330-V435 PolarHBondContact O-N 3.28Å
331	R	96.3	Very high	93.6	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.015	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.4	170.6	-167	172.5	77.1	-136	12	113.7	L302 Y309 G327 V328 V329 R333 A334	L302-R331 HydrophobicContact CD1-CG 4.39Å; L302-R331 HydrophobicContact CD2-CG 3.8Å; Y309-R331 PolarHBondContact O-NH1 3.47Å; G327-R331 PolarHBondContact O-N 3.48Å; V328-R331 WeakPolarHBondContact O-CB 3.26Å; V328-R331 PolarHBondContact O-N 3.42Å; V329-R331 VanDerWaalsContact C-N 3.27Å; V329-R331 PolarHBondContact O-N 2.87Å; R331-R333 PolarHBondContact O-N 2.83Å; R331-A334 HydrophobicContact CG-CB 4.35Å; R331-A334 PolarHBondContact NE-O 3.37Å; R331-A334 VanDerWaalsContact NE-O 3.08Å; R331-A334 WeakPolarHBondContact O-CB 3.49Å; R331-A334 PolarHBondContact O-N 3Å; R331-A334 VanDerWaalsContact O-N 3.16Å
332	N	96.6	Very high	94.5	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.011	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.3	61.2	173.1	-161.2	2.8	0	0	0	114.3	E280 Y282 V328 V329 A330 A334 V435	E280-N332 PolarHBondContact O-ND2 2.84Å; E280-N332 PolarHBondContact O-OD1 3.43Å; E280-N332 VanDerWaalsContact O-OD1 3.06Å; Y282-N332 WeakPolarHBondContact CE1-O 3.35Å; Y282-N332 PolarHBondContact OH-O 2.8Å; V328-N332 PolarHBondContact O-N 3.27Å; V329-N332 WeakPolarHBondContact O-CA 3.44Å; V329-N332 PolarHBondContact O-N 3.28Å; A330-N332 PolarHBondContact O-N 3.01Å; N332-A334 PolarHBondContact O-N 3.18Å; N332-V435 HydrophobicContact CB-CB 3.95Å; N332-V435 HydrophobicContact CB-CG1 4.25Å; N332-V435 WeakPolarHBondContact CB-O 3.36Å; N332-V435 PolarHBondContact ND2-O 3.18Å
333	R	96.1	Very high	95	Very high	11 Å²	11	19.6 Å²	19.6	4%	0.042	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	5.3	176.1	-48.1	165.9	-67.4	-102.4	-4	116.6	F279 E280 Y282 R331 W502	F279-R333 HydrophobicContact CB-CG 4.25Å; F279-R333 HydrophobicContact CD1-CG 4.07Å; F279-R333 HydrophobicContact CD2-CG 3.75Å; F279-R333 HydrophobicContact CE1-CG 4.32Å; F279-R333 HydrophobicContact CE2-CG 4.02Å; F279-R333 HydrophobicContact CG-CG 3.78Å; F279-R333 HydrophobicContact CZ-CG 4.3Å; E280-R333 VanDerWaalsContact O-CZ 3.29Å; E280-R333 PolarHBondContact O-NH1 3.08Å; E280-R333 PolarHBondContact O-NH2 3.15Å; Y282-R333 VanDerWaalsContact CD1-NH2 3.32Å; Y282-R333 VanDerWaalsContact CZ-NH2 3.25Å; Y282-R333 PolarHBondContact OH-NE 2.9Å; R331-R333 PolarHBondContact O-N 2.83Å; R333-W502 HydrophobicContact CB-CB 4.32Å; R333-W502 HydrophobicContact CB-CD2 3.71Å; R333-W502 HydrophobicContact CB-CE3 3.54Å; R333-W502 HydrophobicContact CB-CG 4.06Å; R333-W502 HydrophobicContact CB-CZ3 4.07Å; R333-W502 WeakPolarHBondContact CD-O 3.36Å; R333-W502 HydrophobicContact CG-CB 4.4Å; R333-W502 HydrophobicContact CG-CD2 3.82Å; R333-W502 HydrophobicContact CG-CE3 4.17Å; R333-W502 HydrophobicContact CG-CG 3.91Å; R333-W502 VanDerWaalsContact O-CE3 3.32Å; R333-W502 WeakPolarHBondContact O-CZ3 3.33Å
334	A	97	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.			trans	-75	154.3	175.3	0	0	0	0	0	112.8	L302 R331 N332 V340 V435 I438	L302-A334 HydrophobicContact CD2-CB 3.37Å; R331-A334 HydrophobicContact CG-CB 4.35Å; R331-A334 PolarHBondContact NE-O 3.37Å; R331-A334 VanDerWaalsContact NE-O 3.08Å; R331-A334 WeakPolarHBondContact O-CB 3.49Å; R331-A334 PolarHBondContact O-N 3Å; R331-A334 VanDerWaalsContact O-N 3.16Å; N332-A334 PolarHBondContact O-N 3.18Å; A334-V340 HydrophobicContact CB-CG1 3.78Å; A334-V435 HydrophobicContact CB-CG1 4.39Å; A334-I438 HydrophobicContact CB-CD1 3.75Å; A334-I438 HydrophobicContact CB-CG1 4.09Å
335	L	96.7	Very high	95	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	14%	0.135	C	C	.	.			trans	-115.4	162.3	-176.4	-59.7	-179.3	0	0	0	111.9	G337 D338 H443 R445 P470 I499 W502	L335-G337 PolarHBondContact O-N 2.88Å; L335-D338 PolarHBondContact N-OD2 3.47Å; L335-D338 WeakPolarHBondContact O-CB 3.38Å; L335-D338 PolarHBondContact O-N 3.39Å; L335-D338 VanDerWaalsContact O-N 3.17Å; L335-H443 HydrophobicContact CB-CB 3.86Å; L335-H443 HydrophobicContact CD1-CB 4.4Å; L335-H443 WeakPolarHBondContact CD1-ND1 3.37Å; L335-R445 HydrophobicContact CD1-CG 4.28Å; L335-P470 HydrophobicContact CD2-CG 4.4Å; L335-I499 HydrophobicContact CD1-CD1 3.92Å; L335-W502 HydrophobicContact CD2-CZ3 4.17Å
336	N	95.8	Very high	94.9	Very high	39 Å²	39	26.6 Å²	26.6	21%	0.209	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	129	-176.1	-176.7	81.6	0	0	0	111.8	I304 H443 R468	I304-N336 HydrophobicContact CB-CB 4.25Å; I304-N336 HydrophobicContact CD1-CB 3.95Å; I304-N336 HydrophobicContact CG1-CB 4.03Å; I304-N336 PolarHBondContact N-OD1 3.22Å; N336-H443 PolarHBondContact O-CD2 3.03Å; N336-R468 HydrophobicContact CB-CB 4.49Å
337	G	92.6	Very high	94.6	Very high	14 Å²	14	28.9 Å²	28.9	14%	0.144	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-11.3	-178.9	0	0	0	0	0	115.1	Q301 L302 L335 K442	Q301-G337 WeakPolarHBondContact CG-O 3.48Å; Q301-G337 PolarHBondContact NE2-O 3.1Å; L302-G337 WeakPolarHBondContact O-CA 3.38Å; L302-G337 PolarHBondContact O-N 3.15Å; L335-G337 PolarHBondContact O-N 2.88Å; G337-K442 WeakPolarHBondContact O-CB 3.32Å; G337-K442 WeakPolarHBondContact O-CG 3.45Å
338	D	95.9	Very high	94.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.			trans	-61.2	148.3	177.6	-75.2	-24.5	0	0	0	112.6	Q301 L302 L335 V340 I438 R441 K442 H443 R445	Q301-D338 WeakPolarHBondContact CA-O 3.38Å; L302-D338 PolarHBondContact N-O 3.34Å; L335-D338 PolarHBondContact N-OD2 3.47Å; L335-D338 WeakPolarHBondContact O-CB 3.38Å; L335-D338 PolarHBondContact O-N 3.39Å; L335-D338 VanDerWaalsContact O-N 3.17Å; D338-V340 HydrophobicContact CB-CG1 4.03Å; D338-I438 HydrophobicContact CB-CG2 4.25Å; D338-R441 WeakPolarHBondContact OD1-CA 3.37Å; D338-K442 PolarHBondContact OD1-N 2.96Å; D338-K442 VanDerWaalsContact OD1-N 3.15Å; D338-H443 PolarHBondContact OD1-N 2.86Å; D338-R445 IonicContact OD1-CZ 2.89Å; D338-R445 IonicContact OD1-NH1 3.95Å; D338-R445 PolarHBondContact OD1-NH1 3.04Å; D338-R445 IonicContact OD1-NH2 2.72Å; D338-R445 PolarHBondContact OD1-NH2 2.76Å; D338-R445 IonicContact OD2-CZ 3.09Å; D338-R445 IonicContact OD2-NH1 3.7Å; D338-R445 IonicContact OD2-NH2 3.61Å; D338-R445 PolarHBondContact OD2-NH2 2.91Å
339	I	95.8	Very high	94	Very high	24 Å²	24	39.4 Å²	39.4	12%	0.123	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.3	169.4	-49.8	-57	0	0	0	107.9	Q299 Q301 V439 E440 K442	Q299-I339 HydrophobicContact CG-CG2 3.74Å; Q301-I339 HydrophobicContact CB-CD1 3.79Å; Q301-I339 HydrophobicContact CG-CD1 3.95Å; I339-V439 HydrophobicContact CB-CB 4.47Å; I339-V439 HydrophobicContact CG2-CB 4.19Å; I339-V439 PolarHBondContact O-N 3.15Å; I339-E440 HydrophobicContact CB-CB 3.85Å; I339-E440 HydrophobicContact CG1-CB 3.89Å; I339-E440 PolarHBondContact N-O 3Å; I339-E440 PolarHBondContact O-N 2.79Å; I339-E440 VanDerWaalsContact O-N 3.12Å; I339-K442 HydrophobicContact CD1-CG 4.4Å; I339-K442 HydrophobicContact CG1-CG 4.02Å
340	V	97	Very high	93.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	158	-171.6	-61	0	0	0	0	111.6	Q299 G300 L302 I314 A334 D338 I342 V435 Y437 I438	Q299-V340 WeakPolarHBondContact CA-O 3.34Å; G300-V340 PolarHBondContact N-O 2.88Å; G300-V340 PolarHBondContact O-N 3.38Å; L302-V340 HydrophobicContact CB-CG1 4.32Å; L302-V340 HydrophobicContact CB-CG2 4.12Å; L302-V340 HydrophobicContact CD2-CG1 4.3Å; I314-V340 HydrophobicContact CD1-CG2 3.5Å; I314-V340 VanDerWaalsContact CD1-CG2 3.5Å; I314-V340 HydrophobicContact CG1-CG2 4.21Å; A334-V340 HydrophobicContact CB-CG1 3.78Å; D338-V340 HydrophobicContact CB-CG1 4.03Å; V340-I342 HydrophobicContact CG2-CG2 4.49Å; V340-V435 HydrophobicContact CB-CG1 4.09Å; V340-V435 HydrophobicContact CB-CG2 4.36Å; V340-V435 HydrophobicContact CG1-CG1 4.27Å; V340-V435 HydrophobicContact CG2-CG2 4.17Å; V340-Y437 WeakPolarHBondContact CA-O 3.49Å; V340-I438 HydrophobicContact CG1-CG1 4.22Å; V340-I438 HydrophobicContact CG1-CG2 4.45Å
341	V	96.9	Very high	93.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.9	168	-171.6	0	0	0	0	108.9	V288 L292 L297 H298 V436 Y437 V439	V288-V341 HydrophobicContact CG1-CB 4.47Å; V288-V341 HydrophobicContact CG1-CG1 4.37Å; V288-V341 HydrophobicContact CG1-CG2 3.82Å; L292-V341 HydrophobicContact CD1-CG2 4.39Å; L292-V341 HydrophobicContact CD2-CG1 4.17Å; L292-V341 HydrophobicContact CG-CG1 4.41Å; L297-V341 HydrophobicContact CB-CG1 3.69Å; L297-V341 HydrophobicContact CD1-CG1 4.03Å; L297-V341 HydrophobicContact CG-CG1 4.34Å; H298-V341 CarbonylContact O-C 3.58Å; H298-V341 WeakPolarHBondContact O-CA 3.49Å; V341-V436 HydrophobicContact CB-CG2 4.22Å; V341-V436 HydrophobicContact CG1-CG2 4.04Å; V341-V436 WeakPolarHBondContact O-CG2 3.44Å; V341-V436 PolarHBondContact O-N 3.1Å; V341-Y437 PolarHBondContact N-O 2.95Å; V341-Y437 PolarHBondContact O-N 2.67Å; V341-V439 HydrophobicContact CG2-CG2 3.33Å
342	I	96.2	Very high	92.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.4	178.2	51.5	163.6	0	0	0	112.7	L297 H298 I314 I323 L325 V340 A433 K434 V435	L297-I342 WeakPolarHBondContact CA-O 3.37Å; H298-I342 HydrophobicContact CB-CD1 4.43Å; H298-I342 HydrophobicContact CB-CG1 4.08Å; H298-I342 PolarHBondContact N-O 3.17Å; H298-I342 VanDerWaalsContact O-CG1 3.31Å; H298-I342 WeakPolarHBondContact O-CG1 3.42Å; H298-I342 PolarHBondContact O-N 3.5Å; I314-I342 HydrophobicContact CD1-CB 4.48Å; I314-I342 HydrophobicContact CD1-CD1 4.12Å; I314-I342 HydrophobicContact CD1-CG1 4.37Å; I314-I342 HydrophobicContact CD1-CG2 3.36Å; I314-I342 HydrophobicContact CG2-CD1 4.45Å; I323-I342 HydrophobicContact CB-CD1 4.29Å; I323-I342 HydrophobicContact CD1-CD1 3.77Å; I323-I342 HydrophobicContact CG2-CD1 3.97Å; L325-I342 HydrophobicContact CD2-CG2 4.14Å; V340-I342 HydrophobicContact CG2-CG2 4.49Å; I342-A433 HydrophobicContact CB-CB 4.09Å; I342-A433 HydrophobicContact CD1-CB 3.89Å; I342-A433 HydrophobicContact CG2-CB 4.44Å; I342-K434 CarbonylContact C-O 3.58Å; I342-K434 WeakPolarHBondContact CA-O 3.49Å; I342-K434 WeakPolarHBondContact CB-O 3.31Å; I342-V435 HydrophobicContact CG2-CB 4.48Å; I342-V435 HydrophobicContact CG2-CG2 3.8Å
343	Q	95.4	Very high	90.7	Very high	71 Å²	71	47.4 Å²	47.4	33%	0.332	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.5	163.1	-174	178.8	15.7	0	0	107.9	L297 A433 K434 V436	L297-Q343 HydrophobicContact CD2-CB 3.75Å; L297-Q343 HydrophobicContact CD2-CG 4.16Å; Q343-A433 VanDerWaalsContact O-CA 3.28Å; Q343-A433 WeakPolarHBondContact O-CA 3.37Å; Q343-A433 WeakPolarHBondContact O-CB 3.45Å; Q343-K434 HydrophobicContact CB-CG 4.31Å; Q343-K434 PolarHBondContact N-O 3.15Å; Q343-K434 PolarHBondContact O-N 3.11Å; Q343-V436 HydrophobicContact CB-CG1 3.85Å
344	I	93	Very high	88.8	Confident	50 Å²	50	55.5 Å²	55.5	26%	0.256	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137	174.1	-62.3	176.3	0	0	0	108.2	I323 W350	I323-I344 HydrophobicContact CD1-CD1 4.26Å; I344-W350 HydrophobicContact CG2-CZ2 4.37Å
345	L	92.8	Very high	86.1	Confident	41 Å²	41	58.8 Å²	58.8	22%	0.215	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-81.8	158.9	179.9	-63	176.4	0	0	0	111.2	Q349 W350 T432 K434	L345-Q349 HydrophobicContact CB-CB 4.12Å; L345-Q349 HydrophobicContact CD1-CB 4.46Å; L345-W350 PolarHBondContact O-NE1 3.43Å; L345-T432 PolarHBondContact N-O 2.86Å; L345-K434 HydrophobicContact CD2-CD 4.34Å; L345-K434 HydrophobicContact CD2-CG 4.19Å
346	P	90.6	Very high	83.5	Confident	69 Å²	69	61.3 Å²	61.3	45%	0.448	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-54.5	151.5	172.2	-25.3	35.8	0	0	0	112.6	E348 Q349 W350	P346-E348 WeakPolarHBondContact CB-OE2 3.45Å; P346-E348 PolarHBondContact O-N 2.89Å; P346-E348 VanDerWaalsContact O-N 3.14Å; P346-Q349 WeakPolarHBondContact O-CB 3.35Å; P346-Q349 PolarHBondContact O-N 2.97Å; P346-W350 VanDerWaalsContact O-CD1 3.25Å
347	Q	85.9	Confident	80.7	Confident	121 Å²	121	62.6 Å²	62.6	57%	0.565	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-62.3	-26.2	-171.9	-173.3	174.9	-10.6	0	0	112.9	Q349 W350 L429	Q347-Q349 PolarHBondContact O-N 3.36Å; Q347-W350 HydrophobicContact CB-CD2 4.41Å; Q347-W350 HydrophobicContact CG-CD2 4.11Å; Q347-W350 HydrophobicContact CG-CE3 4.04Å; Q347-W350 HydrophobicContact CG-CZ3 4.28Å; Q347-W350 WeakPolarHBondContact O-CB 3.49Å; Q347-W350 PolarHBondContact O-N 2.88Å; Q347-L429 HydrophobicContact CG-CD2 3.99Å
348	E	87.7	Confident	78.2	Confident	166 Å²	166	65.7 Å²	65.7	78%	0.776	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-66.4	-15.1	175.1	-51.7	76	-167.8	0	0	112.9	P346	P346-E348 WeakPolarHBondContact CB-OE2 3.45Å; P346-E348 PolarHBondContact O-N 2.89Å; P346-E348 VanDerWaalsContact O-N 3.14Å
349	Q	86	Confident	75.3	Confident	105 Å²	105	69.1 Å²	69.1	49%	0.491	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-107.6	2.3	178.3	-55.9	-177.8	10.2	0	0	112.6	L345 P346 Q347 T432	L345-Q349 HydrophobicContact CB-CB 4.12Å; L345-Q349 HydrophobicContact CD1-CB 4.46Å; P346-Q349 WeakPolarHBondContact O-CB 3.35Å; P346-Q349 PolarHBondContact O-N 2.97Å; Q347-Q349 PolarHBondContact O-N 3.36Å; Q349-T432 VanDerWaalsContact C-OG1 3.28Å; Q349-T432 PolarHBondContact O-OG1 3.23Å
350	W	89.4	Confident	72.3	Confident	66 Å²	66	71.2 Å²	71.2	25%	0.25	37%	0.368	C	S	.	.			trans	-72.5	149.2	173.9	-66.8	10.9	0	0	0	110.2	I344 L345 P346 Q347 L429 Q430 K431 T432	I344-W350 HydrophobicContact CG2-CZ2 4.37Å; L345-W350 PolarHBondContact O-NE1 3.43Å; P346-W350 VanDerWaalsContact O-CD1 3.25Å; Q347-W350 HydrophobicContact CB-CD2 4.41Å; Q347-W350 HydrophobicContact CG-CD2 4.11Å; Q347-W350 HydrophobicContact CG-CE3 4.04Å; Q347-W350 HydrophobicContact CG-CZ3 4.28Å; Q347-W350 WeakPolarHBondContact O-CB 3.49Å; Q347-W350 PolarHBondContact O-N 2.88Å; W350-L429 HydrophobicContact CB-CD1 4.07Å; W350-L429 HydrophobicContact CB-CD2 3.92Å; W350-L429 HydrophobicContact CB-CG 3.65Å; W350-L429 HydrophobicContact CE3-CD2 4.04Å; W350-L429 HydrophobicContact CE3-CG 4.22Å; W350-Q430 WeakPolarHBondContact CB-O 3.45Å; W350-K431 HydrophobicContact CE3-CG 4.33Å; W350-K431 HydrophobicContact CH2-CG 3.9Å; W350-K431 HydrophobicContact CZ2-CG 4.04Å; W350-K431 HydrophobicContact CZ3-CG 4.03Å; W350-T432 WeakPolarHBondContact CA-OG1 3.26Å
351	K	83.1	Confident	69.3	Low	86 Å²	86	71.6 Å²	71.6	37%	0.374	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.5	-172.9	-73.4	-165.5	179.6	-173.2	0	112.5	F324 D326 V353 Q430 T432	F324-K351 HydrophobicContact CE1-CD 4.39Å; D326-K351 WeakPolarHBondContact OD1-CE 3.33Å; D326-K351 IonicContact OD1-NZ 2.69Å; D326-K351 PolarHBondContact OD1-NZ 3.27Å; D326-K351 WeakPolarHBondContact OD2-CE 3.44Å; D326-K351 IonicContact OD2-NZ 3.76Å; D326-K351 PolarHBondContact OD2-NZ 3.13Å; K351-V353 HydrophobicContact CB-CG2 4.47Å; K351-V353 PolarHBondContact O-N 3.03Å; K351-Q430 PolarHBondContact N-O 3.01Å; K351-Q430 PolarHBondContact O-N 3.27Å; K351-T432 HydrophobicContact CB-CG2 4.18Å; K351-T432 HydrophobicContact CG-CG2 4.17Å
352	V	75.7	Confident	66.1	Low	97 Å²	97	75.6 Å²	75.6	59%	0.588	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	98.8	160.7	167.9	0	0	0	0	107.6	I428 L429	V352-I428 HydrophobicContact CB-CG2 4.28Å; V352-I428 HydrophobicContact CG1-CG2 3.61Å; V352-I428 HydrophobicContact CG2-CB 4.38Å; V352-I428 HydrophobicContact CG2-CG2 3.86Å; V352-L429 HydrophobicContact CG2-CD1 4.42Å
353	V	65.3	Low	62.8	Low	32 Å²	32	80.2 Å²	80.2	19%	0.194	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-90.2	136.5	166.4	-167.9	0	0	0	0	107.1	F324 K351 Q430	F324-V353 HydrophobicContact CB-CG2 4.41Å; F324-V353 HydrophobicContact CD1-CG2 3.85Å; F324-V353 HydrophobicContact CD2-CG2 4.44Å; F324-V353 HydrophobicContact CE1-CG2 4.24Å; F324-V353 HydrophobicContact CG-CG2 3.98Å; K351-V353 HydrophobicContact CB-CG2 4.47Å; K351-V353 PolarHBondContact O-N 3.03Å; V353-Q430 HydrophobicContact CG2-CB 4.2Å
354	K	56.5	Low	59.5	Low	181 Å²	181	86.4 Å²	86.4	79%	0.787	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-73	140.7	171.7	-67.4	177.9	-178.3	174.2	0	108.3	D356	K354-D356 PolarHBondContact O-N 3.35Å
355	S	40.1	Very low	56.4	Low	68 Å²	68	88.7 Å²	88.7	48%	0.476	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-51	131	-165.6	47.7	0	0	0	0	114.6	T357 D358	S355-T357 PolarHBondContact O-N 3.45Å; S355-T357 PolarHBondContact O-OG1 3.48Å; S355-T357 PolarHBondContact OG-OG1 2.79Å; S355-D358 PolarHBondContact O-N 2.78Å
356	D	41.8	Very low	53.2	Low	57 Å²	57	94.4 Å²	94.4	31%	0.305	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-61.6	5.4	-176.6	-58.9	-64.8	0	0	0	116	F313 K354 D358 C359	F313-D356 VanDerWaalsContact CE1-OD1 3.3Å; F313-D356 WeakPolarHBondContact CE1-OD1 3.41Å; F313-D356 VanDerWaalsContact CZ-OD1 3.3Å; F313-D356 WeakPolarHBondContact CZ-OD1 3.45Å; K354-D356 PolarHBondContact O-N 3.35Å; D356-D358 PolarHBondContact O-N 3.2Å; D356-C359 WeakPolarHBondContact O-CB 3.22Å; D356-C359 PolarHBondContact O-SG 2.9Å
357	T	37.8	Very low	50	Low	65 Å²	65	96.8 Å²	96.8	40%	0.399	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-57.5	-30.6	168.4	9.5	0	0	0	0	112.4	S355 C359 R861	S355-T357 PolarHBondContact O-N 3.45Å; S355-T357 PolarHBondContact O-OG1 3.48Å; S355-T357 PolarHBondContact OG-OG1 2.79Å; T357-C359 VanDerWaalsContact C-N 3.3Å; T357-C359 PolarHBondContact O-N 3.09Å; T357-R861 PolarHBondContact O-NH2 3.46Å; T357-R861 VanDerWaalsContact O-NH2 3.1Å
358	D	39.3	Very low	47.1	Very low	79 Å²	79	99.9 Å²	99.9	42%	0.422	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-83.7	6.9	-171.4	-62.9	-18.8	0	0	0	114.6	S355 D356 D360 L972	S355-D358 PolarHBondContact O-N 2.78Å; D356-D358 PolarHBondContact O-N 3.2Å; D358-D360 PolarHBondContact O-N 2.97Å; D358-L972 WeakPolarHBondContact OD1-CD2 3.5Å
359	C	34.3	Very low	44	Very low	72 Å²	72	97.9 Å²	97.9	49%	0.486	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	42	-169.1	62	0	0	0	0	117.1	D356 T357	D356-C359 WeakPolarHBondContact O-CB 3.22Å; D356-C359 PolarHBondContact O-SG 2.9Å; T357-C359 VanDerWaalsContact C-N 3.3Å; T357-C359 PolarHBondContact O-N 3.09Å
360	D	33	Very low	41	Very low	68 Å²	68	101.3 Å²	101.3	36%	0.364	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-140.5	26.3	171.9	-147.5	53.2	0	0	0	117.8	K307 D358 R988	K307-D360 VanDerWaalsContact CE-OD1 3.24Å; K307-D360 WeakPolarHBondContact CE-OD1 3.23Å; K307-D360 VanDerWaalsContact NZ-C 3.34Å; K307-D360 PolarHBondContact NZ-O 3.32Å; K307-D360 IonicContact NZ-OD1 2.67Å; K307-D360 PolarHBondContact NZ-OD1 3.29Å; K307-D360 IonicContact NZ-OD2 2.62Å; K307-D360 PolarHBondContact NZ-OD2 3.35Å; D358-D360 PolarHBondContact O-N 2.97Å; D360-R988 VanDerWaalsContact C-CZ 3.42Å; D360-R988 PolarHBondContact O-NE 3.19Å
361	G	34.9	Very low	37.9	Very low	8 Å²	8	106.5 Å²	106.5	8%	0.082	58%	0.579	C	S	.	*			trans	168.3	89.4	166.9	0	0	0	0	0	118.7	R988	G361-R988 VanDerWaalsContact C-NH1 3.3Å; G361-R988 PolarHBondContact O-NH1 3.1Å
362	T	29.7	Very low	35.1	Very low	84 Å²	84	108.3 Å²	108.3	52%	0.515	60%	0.597	S	S	.	*			trans	-123.3	130	159.4	39	0	0	0	0	108.8
363	S	26.3	Very low	32.6	Very low	98 Å²	98	109.2 Å²	109.2	69%	0.685	61%	0.605	S	S	*	*			trans	-147.1	101.4	173.4	-62.5	0	0	0	0	106.4
364	E	27.1	Very low	30.6	Very low	201 Å²	201	119.2 Å²	119.2	94%	0.939	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-86.4	121.3	176.1	-62.6	-163.8	139.7	0	0	108.9
365	S	27.1	Very low	29	Very low	99 Å²	99	117.3 Å²	117.3	69%	0.692	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-98.4	133.2	178.6	56.9	0	0	0	0	110.2	T367	S365-T367 PolarHBondContact O-N 2.71Å
366	D	25.2	Very low	28.3	Very low	161 Å²	161	119 Å²	119	86%	0.861	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-54.4	126.5	174.3	-72.3	-65.2	0	0	0	112.4
367	T	23.2	Very low	27.5	Very low	119 Å²	119	124.1 Å²	124.1	73%	0.73	68%	0.683	S	S	*	*			trans	-134.7	101	159.5	54.1	0	0	0	0	109.1	S365 T369	S365-T367 PolarHBondContact O-N 2.71Å; T367-T369 PolarHBondContact O-N 2.86Å
368	Q	24.8	Very low	26.9	Very low	186 Å²	186	130.1 Å²	130.1	87%	0.869	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-71.9	122.4	169.9	-66.1	-177.4	-1.3	0	0	108.5
369	T	23.9	Very low	26.1	Very low	123 Å²	123	131.3 Å²	131.3	76%	0.755	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-87.2	118.1	-179.8	-41	0	0	0	0	109	T367 H371	T367-T369 PolarHBondContact O-N 2.86Å; T369-H371 PolarHBondContact O-N 2.8Å
370	E	21.8	Very low	25.6	Very low	178 Å²	178	133 Å²	133	83%	0.832	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-64.3	131.7	170.4	-69	-164.6	141.7	0	0	110.5
371	H	25.6	Very low	25.2	Very low	175 Å²	175	133.5 Å²	133.5	81%	0.81	76%	0.759	S	S	*	*			trans	-124.6	106.8	167.8	-113.4	-60.8	0	0	0	109.7	T369 P373	T369-H371 PolarHBondContact O-N 2.8Å; H371-P373 WeakPolarHBondContact O-CD 3.15Å
372	V	23.1	Very low	24.8	Very low	123 Å²	123	142.6 Å²	142.6	75%	0.745	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-82.2	126	179.3	176.7	0	0	0	0	111.3
373	P	24	Very low	24.5	Very low	116 Å²	116	142 Å²	142	75%	0.753	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-98.6	158.8	158.1	-1.1	23.6	0	0	0	111.2	H371	H371-P373 WeakPolarHBondContact O-CD 3.15Å
374	R	23.8	Very low	24.8	Very low	243 Å²	243	143.6 Å²	143.6	92%	0.917	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.7	154	-170.4	-71.1	175	172.3	165.7	-4.1	114.6
375	T	22.9	Very low	24.7	Very low	140 Å²	140	139.3 Å²	139.3	86%	0.859	81%	0.809	S	S	*	*			trans	-41.2	138.3	171.5	42.1	0	0	0	0	117.6
376	A	24.6	Very low	25	Very low	103 Å²	103	139.5 Å²	139.5	85%	0.851	81%	0.808	S	S	*	*			trans	-140.2	163.6	148.8	0	0	0	0	0	109.3
377	Q	24.7	Very low	24.9	Very low	166 Å²	166	138.5 Å²	138.5	78%	0.776	80%	0.803	S	S	*	*			trans	-119.2	165.2	-163.4	-58.4	-179.8	-26.6	0	0	115.1
378	K	25	Very low	25.3	Very low	190 Å²	190	139.7 Å²	139.7	83%	0.826	81%	0.809	S	S	*	*			trans	81.4	143.6	162.2	-60.1	170.5	-174.2	175.6	0	116.1
379	S	23.5	Very low	25.3	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	81%	0.806	S	S	*	*			cis	-168	142.4	-10.2	45.3	0	0	0	0	113.6
380	A	24.6	Very low	25.5	Very low	109 Å²	109	140.3 Å²	140.3	90%	0.901	81%	0.81	S	S	*	*			trans	52	123.6	150.1	0	0	0	0	0	121.7
381	G	23.4	Very low	25.8	Very low	78 Å²	78	139.3 Å²	139.3	80%	0.804	81%	0.805	S	S	*	*			trans	174.5	135	163.9	0	0	0	0	0	113.9
382	H	26.1	Very low	25.8	Very low	198 Å²	198	137.8 Å²	137.8	92%	0.917	80%	0.803	S	S	*	*			trans	-52.3	156.9	-178.4	-86.5	34.5	0	0	0	116.5
383	G	24.1	Very low	26.1	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	80%	0.803	S	S	*	*			trans	-77.8	-169.7	165.3	0	0	0	0	0	113.9
384	P	32.2	Very low	26.2	Very low	132 Å²	132	138 Å²	138	86%	0.857	80%	0.796	S	S	*	*			cis	-123.2	-168	29.5	43.1	-31	0	0	0	115.8
385	S	26.2	Very low	26.3	Very low	111 Å²	111	132 Å²	132	78%	0.776	79%	0.791	S	S	*	*			trans	-49.7	147.2	178.6	-159.9	0	0	0	0	114.7
386	P	32.7	Very low	26.5	Very low	104 Å²	104	130.9 Å²	130.9	68%	0.675	78%	0.78	S	S	*	*				-148.8	167.4	97.6	41	-25.7	0	0	0	117.3
387	D	23.8	Very low	27	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	78%	0.775	S	S	*	*			trans	47.8	117.6	148.9	-56.7	-19.5	0	0	0	122.2	K389	D387-K389 PolarHBondContact O-N 3.17Å
388	V	29.8	Very low	27.2	Very low	144 Å²	144	132.6 Å²	132.6	87%	0.873	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-69.9	119.3	162.6	177.5	0	0	0	0	110
389	K	25.4	Very low	27.4	Very low	184 Å²	184	132.7 Å²	132.7	80%	0.8	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-102.3	127.6	165.3	-73.5	178.9	179.8	172.3	0	110.2	D387	D387-K389 PolarHBondContact O-N 3.17Å
390	V	29.3	Very low	27.7	Very low	138 Å²	138	136.1 Å²	136.1	84%	0.836	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.7	119.6	164.8	178	0	0	0	0	107.5	D392	V390-D392 PolarHBondContact O-N 3.33Å
391	E	26.9	Very low	28.1	Very low	157 Å²	157	138.6 Å²	138.6	73%	0.734	79%	0.79	S	S	*	*			trans	-78.8	109.1	174	-70	-144.4	144.2	0	0	111.2	Q393	E391-Q393 PolarHBondContact OE2-NE2 3.37Å
392	D	26.1	Very low	28.4	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	80%	0.796	S	S	*	*			trans	-82.8	111.9	158.9	173.4	23.1	0	0	0	108.3	V390	V390-D392 PolarHBondContact O-N 3.33Å
393	Q	28.5	Very low	28.5	Very low	157 Å²	157	147.4 Å²	147.4	73%	0.734	80%	0.797	S	S	*	*			trans	-128.2	92.5	169.9	-67.6	-155.3	39.5	0	0	110.9	E391	E391-Q393 PolarHBondContact OE2-NE2 3.37Å
394	S	25.7	Very low	28.6	Very low	87 Å²	87	153.8 Å²	153.8	61%	0.608	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-75.3	124.1	165.8	61.9	0	0	0	0	111.2	D396	S394-D396 PolarHBondContact O-N 3.37Å
395	S	26.7	Very low	28.5	Very low	117 Å²	117	153.4 Å²	153.4	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.7	117.3	167.2	55.8	0	0	0	0	110.8
396	D	28.4	Very low	28.4	Very low	116 Å²	116	154 Å²	154	62%	0.62	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-91.8	140.1	172.1	-112.7	-48.9	0	0	0	111.5	K276 S394	K276-D396 IonicContact NZ-OD1 3.04Å; K276-D396 PolarHBondContact NZ-OD1 3.24Å; K276-D396 IonicContact NZ-OD2 3.39Å; K276-D396 PolarHBondContact NZ-OD2 3.06Å; S394-D396 PolarHBondContact O-N 3.37Å
397	P	34.5	Very low	28.2	Very low	114 Å²	114	155.7 Å²	155.7	74%	0.74	80%	0.799	S	S	*	*			trans	-99	93.8	-174.6	35.8	-30.9	0	0	0	113.1
398	E	29.1	Very low	28.2	Very low	191 Å²	191	154.4 Å²	154.4	89%	0.893	80%	0.801	S	S	*	*			trans	-167.1	61.3	167.3	-108.6	-79.1	128.4	0	0	112.7
399	E	28.1	Very low	28	Very low	191 Å²	191	153.5 Å²	153.5	89%	0.893	80%	0.8	S	S	*	*			trans	-153.4	64	162.2	-155.7	178.3	-169.4	0	0	115
400	L	30.7	Very low	28	Very low	176 Å²	176	149.4 Å²	149.4	92%	0.921	80%	0.8	S	S	*	*			trans	-137.2	52.4	169.6	-85.6	-176.7	0	0	0	114.4
401	L	32.9	Very low	27.8	Very low	162 Å²	162	149.4 Å²	149.4	85%	0.848	80%	0.795	S	S	*	*			trans	-135.9	79.9	166.4	-81.5	178.4	0	0	0	112.7
402	R	30.3	Very low	27.8	Very low	247 Å²	247	148 Å²	148	93%	0.932	80%	0.798	S	S	*	*			trans	173.2	104.1	143.5	-93	148.1	-161.4	-147.9	5.6	113.1
403	K	27.3	Very low	27.8	Very low	213 Å²	213	144.9 Å²	144.9	93%	0.926	80%	0.8	S	S	*	*			trans	-168.7	119.1	138.6	-108.3	160.1	-175.2	173.5	0	110.1
404	R	26.7	Very low	27.9	Very low	206 Å²	206	146.4 Å²	146.4	78%	0.777	81%	0.807	S	S	*	*			trans	-89.4	158.5	162.3	-65.8	-173.8	-177.9	-174.6	1.7	109.5	D406	R404-D406 IonicContact NH1-OD1 3.95Å; R404-D406 PolarHBondContact NH1-OD1 3.23Å
405	P	29.6	Very low	27.9	Very low	124 Å²	124	150.5 Å²	150.5	81%	0.805	82%	0.816	S	S	*	*			trans	-113.9	127.2	134.8	22.6	-6.9	0	0	0	110
406	D	24.9	Very low	28	Very low	122 Å²	122	152.4 Å²	152.4	65%	0.652	82%	0.816	S	S	*	*			trans	-89.3	131.7	167.5	-55.9	-67.1	0	0	0	109.2	R404	R404-D406 IonicContact NH1-OD1 3.95Å; R404-D406 PolarHBondContact NH1-OD1 3.23Å
407	V	27.6	Very low	28.2	Very low	140 Å²	140	155.4 Å²	155.4	85%	0.848	83%	0.826	S	S	*	*			trans	-139.9	151.4	158.5	-176.6	0	0	0	0	108.3
408	S	24.6	Very low	27.7	Very low	113 Å²	113	156.1 Å²	156.1	79%	0.79	82%	0.824	S	S	*	*			trans	-74	163.2	-160.9	49.7	0	0	0	0	118.1
409	C	24.2	Very low	28	Very low	125 Å²	125	153 Å²	153	85%	0.845	82%	0.82	S	S	*	*			trans	-84.7	175.3	170.5	-56.6	0	0	0	0	113.9
410	A	26	Very low	28.3	Very low	98 Å²	98	147.6 Å²	147.6	81%	0.81	80%	0.804	S	S	*	*			trans	76.6	148.4	174.7	0	0	0	0	0	115.4
411	D	25.4	Very low	28.1	Very low	137 Å²	137	145.8 Å²	145.8	73%	0.733	80%	0.8	S	S	*	*			cis	-144.2	168	13.6	-162	21.1	0	0	0	114.6
412	T	27.4	Very low	28.3	Very low	128 Å²	128	143.2 Å²	143.2	79%	0.785	79%	0.793	S	S	*	*			trans	17.5	132.6	164.4	43.9	0	0	0	0	122.6
413	G	25.1	Very low	28.4	Very low	79 Å²	79	140.2 Å²	140.2	81%	0.814	79%	0.79	S	S	*	*			trans	173.1	109.7	159.5	0	0	0	0	0	113.8
414	E	29.8	Very low	28.5	Very low	189 Å²	189	133.9 Å²	133.9	88%	0.883	78%	0.777	S	S	*	*			trans	-83.8	140.9	177	-58.7	174	120.7	0	0	111.8
415	H	26.3	Very low	28.8	Very low	173 Å²	173	130.3 Å²	130.3	80%	0.801	77%	0.773	S	S	*	*				-169.4	129.2	125.5	-120	-101.3	0	0	0	114.1
416	L	28.7	Very low	29.2	Very low	156 Å²	156	128 Å²	128	82%	0.817	77%	0.765	S	S	*	*			trans	11.9	148.9	156.9	-71.7	163.2	0	0	0	123.6
417	E	31.9	Very low	30.3	Very low	180 Å²	180	128.1 Å²	128.1	84%	0.841	77%	0.765	S	S	*	*			trans	-70.8	151.5	175.3	-50.5	175.6	136	0	0	113.9
418	D	25.1	Very low	31.8	Very low	129 Å²	129	125.2 Å²	125.2	69%	0.69	74%	0.744	S	S	*	*			trans	-135.5	98.7	154.2	-171.1	-12.3	0	0	0	110	S420	D418-S420 VanDerWaalsContact C-N 3.31Å; D418-S420 VanDerWaalsContact CG-OG 3.31Å; D418-S420 PolarHBondContact O-N 2.83Å; D418-S420 VanDerWaalsContact O-N 3.11Å; D418-S420 VanDerWaalsContact OD1-CB 3.28Å; D418-S420 WeakPolarHBondContact OD1-CB 3.43Å; D418-S420 PolarHBondContact OD1-OG 3.04Å
419	P	34.8	Very low	34.3	Very low	125 Å²	125	122.7 Å²	122.7	81%	0.812	72%	0.722	S	S	*	*			trans	-87.4	55.6	-174.2	35.6	-35.9	0	0	0	112.7
420	S	34.1	Very low	37.1	Very low	78 Å²	78	117.2 Å²	117.2	55%	0.545	68%	0.683	S	S	.	*			trans	-126.6	48.3	-169.5	67.4	0	0	0	0	116.9	D418	D418-S420 VanDerWaalsContact C-N 3.31Å; D418-S420 VanDerWaalsContact CG-OG 3.31Å; D418-S420 PolarHBondContact O-N 2.83Å; D418-S420 VanDerWaalsContact O-N 3.11Å; D418-S420 VanDerWaalsContact OD1-CB 3.28Å; D418-S420 WeakPolarHBondContact OD1-CB 3.43Å; D418-S420 PolarHBondContact OD1-OG 3.04Å
421	T	27.8	Very low	40.2	Very low	137 Å²	137	114.9 Å²	114.9	84%	0.84	66%	0.655	S	S	*	*			trans	-146.9	101.9	157.3	-34.8	0	0	0	0	113.4
422	P	35.8	Very low	43.4	Very low	108 Å²	108	108.4 Å²	108.4	70%	0.701	62%	0.621	S	S	*	*			trans	-83.5	128.3	-179.2	31.4	-33.3	0	0	0	113.6	A424	P422-A424 PolarHBondContact O-N 3.32Å; P422-A424 VanDerWaalsContact O-N 3.11Å
423	Q	32.6	Very low	46.6	Very low	185 Å²	185	102.4 Å²	102.4	86%	0.864	58%	0.584	S	S	*	*				59.5	37.4	126.4	-152.3	165.3	2.2	0	0	118.7
424	A	30.2	Very low	50	Low	79 Å²	79	100.8 Å²	100.8	65%	0.653	55%	0.554	S	S	*	*			trans	-89.2	-18.5	-179.7	0	0	0	0	0	116.4	P422	P422-A424 PolarHBondContact O-N 3.32Å; P422-A424 VanDerWaalsContact O-N 3.11Å
425	N	32.2	Very low	53.3	Low	131 Å²	131	91.8 Å²	91.8	70%	0.701	51%	0.512	S	S	*	.	S	Bend	trans	-99	-0.8	-167.6	-72.3	-15.4	0	0	0	115.7	D427	N425-D427 VanDerWaalsContact C-N 3.32Å; N425-D427 PolarHBondContact O-N 2.91Å
426	A	39.1	Very low	56.6	Low	77 Å²	77	83.6 Å²	83.6	64%	0.636	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-67.4	-32.1	-179.7	0	0	0	0	0	112.8	I428	A426-I428 PolarHBondContact O-N 3.37Å; A426-I428 VanDerWaalsContact O-N 3.11Å
427	D	47.6	Very low	59.9	Low	124 Å²	124	79.1 Å²	79.1	66%	0.663	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-73.4	4.2	-176.1	-91.5	-48.6	0	0	0	115.2	R321 N425	R321-D427 PolarHBondContact NH1-O 3.12Å; R321-D427 PolarHBondContact NH2-O 2.96Å; R321-D427 IonicContact NH2-OD1 2.65Å; N425-D427 VanDerWaalsContact C-N 3.32Å; N425-D427 PolarHBondContact O-N 2.91Å
428	I	59.9	Low	63	Low	78 Å²	78	71.4 Å²	71.4	40%	0.4	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-108.4	-16	-174.5	-40.9	-175.8	0	0	0	112	V352 A426	V352-I428 HydrophobicContact CB-CG2 4.28Å; V352-I428 HydrophobicContact CG1-CG2 3.61Å; V352-I428 HydrophobicContact CG2-CB 4.38Å; V352-I428 HydrophobicContact CG2-CG2 3.86Å; A426-I428 PolarHBondContact O-N 3.37Å; A426-I428 VanDerWaalsContact O-N 3.11Å
429	L	75.9	Confident	66.4	Low	61 Å²	61	68.6 Å²	68.6	32%	0.319	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	115.1	-172.7	-159.4	71.1	0	0	0	111.8	Q347 W350 V352	Q347-L429 HydrophobicContact CG-CD2 3.99Å; W350-L429 HydrophobicContact CB-CD1 4.07Å; W350-L429 HydrophobicContact CB-CD2 3.92Å; W350-L429 HydrophobicContact CB-CG 3.65Å; W350-L429 HydrophobicContact CE3-CD2 4.04Å; W350-L429 HydrophobicContact CE3-CG 4.22Å; V352-L429 HydrophobicContact CG2-CD1 4.42Å
430	Q	83.9	Confident	69.2	Low	9 Å²	9	66.9 Å²	66.9	4%	0.042	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.8	-177.8	-172.9	163	-8.6	0	0	111.6	D322 F324 W350 K351 V353 T432	D322-Q430 PolarHBondContact O-NE2 3.45Å; F324-Q430 HydrophobicContact CB-CG 4.27Å; W350-Q430 WeakPolarHBondContact CB-O 3.45Å; K351-Q430 PolarHBondContact N-O 3.01Å; K351-Q430 PolarHBondContact O-N 3.27Å; V353-Q430 HydrophobicContact CG2-CB 4.2Å; Q430-T432 PolarHBondContact O-N 2.59Å
431	K	90.4	Very high	72.1	Confident	49 Å²	49	71 Å²	71	21%	0.213	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-51.1	121.7	177.3	-61.1	175.1	-172.2	169.4	0	110.1	S316 D318 I323 F324 W350	S316-K431 PolarHBondContact OG-NZ 2.81Å; D318-K431 IonicContact OD1-NZ 3.61Å; D318-K431 IonicContact OD2-NZ 2.88Å; D318-K431 PolarHBondContact OD2-NZ 2.75Å; I323-K431 HydrophobicContact CG1-CB 4.43Å; I323-K431 HydrophobicContact CG1-CD 4.36Å; I323-K431 HydrophobicContact CG2-CB 4.31Å; F324-K431 PolarHBondContact N-O 3.39Å; W350-K431 HydrophobicContact CE3-CG 4.33Å; W350-K431 HydrophobicContact CH2-CG 3.9Å; W350-K431 HydrophobicContact CZ2-CG 4.04Å; W350-K431 HydrophobicContact CZ3-CG 4.03Å
432	T	93.3	Very high	75.1	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	152	171.5	52	0	0	0	0	111.4	F324 L345 Q349 W350 K351 Q430	F324-T432 HydrophobicContact CD1-CG2 4.11Å; F324-T432 CarbonylContact O-C 3.58Å; F324-T432 WeakPolarHBondContact O-CA 3.33Å; L345-T432 PolarHBondContact N-O 2.86Å; Q349-T432 VanDerWaalsContact C-OG1 3.28Å; Q349-T432 PolarHBondContact O-OG1 3.23Å; W350-T432 WeakPolarHBondContact CA-OG1 3.26Å; K351-T432 HydrophobicContact CB-CG2 4.18Å; K351-T432 HydrophobicContact CG-CG2 4.17Å; Q430-T432 PolarHBondContact O-N 2.59Å
433	A	94.8	Very high	77.9	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	172.1	180	0	0	0	0	0	112.4	I323 F324 L325 I342 Q343	I323-A433 HydrophobicContact CG2-CB 3.51Å; F324-A433 PolarHBondContact O-N 3.3Å; L325-A433 HydrophobicContact CD2-CB 3.9Å; L325-A433 VanDerWaalsContact CD2-O 3.23Å; L325-A433 WeakPolarHBondContact CD2-O 3.41Å; I342-A433 HydrophobicContact CB-CB 4.09Å; I342-A433 HydrophobicContact CD1-CB 3.89Å; I342-A433 HydrophobicContact CG2-CB 4.44Å; Q343-A433 VanDerWaalsContact O-CA 3.28Å; Q343-A433 WeakPolarHBondContact O-CA 3.37Å; Q343-A433 WeakPolarHBondContact O-CB 3.45Å
434	K	96.3	Very high	80.8	Confident	46 Å²	46	56.8 Å²	56.8	20%	0.2	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.7	167.2	64.2	173.3	-170.5	166.5	0	111.2	E280 A330 I342 Q343 L345 V436	E280-K434 IonicContact OE1-NZ 2.72Å; E280-K434 PolarHBondContact OE1-NZ 3.44Å; E280-K434 WeakPolarHBondContact OE2-CD 3.42Å; E280-K434 WeakPolarHBondContact OE2-CE 3.25Å; E280-K434 IonicContact OE2-NZ 2.63Å; E280-K434 PolarHBondContact OE2-NZ 2.93Å; A330-K434 WeakPolarHBondContact O-CA 3.18Å; I342-K434 CarbonylContact C-O 3.58Å; I342-K434 WeakPolarHBondContact CA-O 3.49Å; I342-K434 WeakPolarHBondContact CB-O 3.31Å; Q343-K434 HydrophobicContact CB-CG 4.31Å; Q343-K434 PolarHBondContact N-O 3.15Å; Q343-K434 PolarHBondContact O-N 3.11Å; L345-K434 HydrophobicContact CD2-CD 4.34Å; L345-K434 HydrophobicContact CD2-CG 4.19Å; K434-V436 HydrophobicContact CG-CG1 4.26Å
435	V	97.5	Very high	83.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.7	174.9	173	0	0	0	0	109.8	L325 A330 N332 A334 V340 I342	L325-V435 HydrophobicContact CD1-CG2 3.82Å; L325-V435 HydrophobicContact CD2-CG2 4.41Å; A330-V435 PolarHBondContact O-N 3.28Å; N332-V435 HydrophobicContact CB-CB 3.95Å; N332-V435 HydrophobicContact CB-CG1 4.25Å; N332-V435 WeakPolarHBondContact CB-O 3.36Å; N332-V435 PolarHBondContact ND2-O 3.18Å; A334-V435 HydrophobicContact CB-CG1 4.39Å; V340-V435 HydrophobicContact CB-CG1 4.09Å; V340-V435 HydrophobicContact CB-CG2 4.36Å; V340-V435 HydrophobicContact CG1-CG1 4.27Å; V340-V435 HydrophobicContact CG2-CG2 4.17Å; I342-V435 HydrophobicContact CG2-CB 4.48Å; I342-V435 HydrophobicContact CG2-CG2 3.8Å
436	V	97.3	Very high	87	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-17	-178.8	-61.4	0	0	0	0	113.1	Y282 M283 L297 V341 Q343 K434	Y282-V436 VanDerWaalsContact CA-O 3.3Å; Y282-V436 WeakPolarHBondContact CA-O 3.31Å; M283-V436 HydrophobicContact CE-CB 3.98Å; M283-V436 HydrophobicContact CE-CG1 3.78Å; M283-V436 HydrophobicContact CE-CG2 4.4Å; M283-V436 HydrophobicContact CG-CB 4.08Å; M283-V436 PolarHBondContact N-O 3.45Å; M283-V436 HydrophobicContact SD-CB 3.72Å; M283-V436 HydrophobicContact SD-CG1 4.2Å; M283-V436 HydrophobicContact SD-CG2 3.77Å; L297-V436 HydrophobicContact CD1-CG2 4.36Å; L297-V436 HydrophobicContact CD2-CG2 4.04Å; V341-V436 HydrophobicContact CB-CG2 4.22Å; V341-V436 HydrophobicContact CG1-CG2 4.04Å; V341-V436 WeakPolarHBondContact O-CG2 3.44Å; V341-V436 PolarHBondContact O-N 3.1Å; Q343-V436 HydrophobicContact CB-CG1 3.85Å; K434-V436 HydrophobicContact CG-CG1 4.26Å
437	Y	97.4	Very high	89.7	Confident	61 Å²	61	44.9 Å²	44.9	24%	0.239	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	156.5	176.9	-160.4	-101.4	0	0	0	111.9	M283 L285 V288 V340 V341 V439	M283-Y437 VanDerWaalsContact O-CD2 3.22Å; M283-Y437 WeakPolarHBondContact O-CD2 3.16Å; M283-Y437 WeakPolarHBondContact O-CE2 3.31Å; L285-Y437 HydrophobicContact CD1-CE1 4.37Å; V288-Y437 HydrophobicContact CG2-CD1 4.49Å; V288-Y437 HydrophobicContact CG2-CD2 4Å; V288-Y437 HydrophobicContact CG2-CG 3.83Å; V340-Y437 WeakPolarHBondContact CA-O 3.49Å; V341-Y437 PolarHBondContact N-O 2.95Å; V341-Y437 PolarHBondContact O-N 2.67Å; Y437-V439 HydrophobicContact CD1-CG2 4.41Å
438	I	97.2	Very high	92	Very high	19 Å²	19	39.3 Å²	39.3	10%	0.097	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.9	168.8	-54.3	-179.1	0	0	0	108	Y282 A334 D338 V340 R441	Y282-I438 HydrophobicContact CE1-CD1 4.39Å; Y282-I438 HydrophobicContact CE1-CG1 4.13Å; Y282-I438 VanDerWaalsContact OH-CD1 3.3Å; Y282-I438 WeakPolarHBondContact OH-CD1 3.15Å; A334-I438 HydrophobicContact CB-CD1 3.75Å; A334-I438 HydrophobicContact CB-CG1 4.09Å; D338-I438 HydrophobicContact CB-CG2 4.25Å; V340-I438 HydrophobicContact CG1-CG1 4.22Å; V340-I438 HydrophobicContact CG1-CG2 4.45Å; I438-R441 HydrophobicContact CG2-CG 4.15Å
439	V	95.4	Very high	93.6	Very high	69 Å²	69	35.6 Å²	35.6	42%	0.418	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-48.9	-179.4	-170.4	0	0	0	0	110.8	Q299 I339 V341 Y437	Q299-V439 HydrophobicContact CG-CG2 4.24Å; I339-V439 HydrophobicContact CB-CB 4.47Å; I339-V439 HydrophobicContact CG2-CB 4.19Å; I339-V439 PolarHBondContact O-N 3.15Å; V341-V439 HydrophobicContact CG2-CG2 3.33Å; Y437-V439 HydrophobicContact CD1-CG2 4.41Å
440	E	94.4	Very high	94.5	Very high	89 Å²	89	35.3 Å²	35.3	42%	0.416	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.3	-176.8	-162.3	-170.5	165.5	0	0	111	I339 K442	I339-E440 HydrophobicContact CB-CB 3.85Å; I339-E440 HydrophobicContact CG1-CB 3.89Å; I339-E440 PolarHBondContact N-O 3Å; I339-E440 PolarHBondContact O-N 2.79Å; I339-E440 VanDerWaalsContact O-N 3.12Å; E440-K442 VanDerWaalsContact C-N 3.33Å; E440-K442 HydrophobicContact CG-CD 4.42Å; E440-K442 HydrophobicContact CG-CG 4.47Å; E440-K442 PolarHBondContact O-N 3.28Å; E440-K442 VanDerWaalsContact O-N 3.11Å; E440-K442 WeakPolarHBondContact OE1-CD 3.31Å; E440-K442 VanDerWaalsContact OE1-CE 3.23Å; E440-K442 WeakPolarHBondContact OE1-CE 3.44Å; E440-K442 IonicContact OE1-NZ 3.56Å; E440-K442 PolarHBondContact OE1-NZ 3.49Å; E440-K442 WeakPolarHBondContact OE2-CE 3.38Å; E440-K442 IonicContact OE2-NZ 2.74Å; E440-K442 PolarHBondContact OE2-NZ 2.91Å
441	R	94.5	Very high	94.9	Very high	164 Å²	164	35.2 Å²	35.2	62%	0.619	16%	0.163	S	C	*	.			trans	-85.9	68.2	-179.6	-70.9	-173	-178.7	-164.8	-0.1	110.9	D338 I438 R445	D338-R441 WeakPolarHBondContact OD1-CA 3.37Å; I438-R441 HydrophobicContact CG2-CG 4.15Å; R441-R445 VanDerWaalsContact C-NH1 3.31Å; R441-R445 VanDerWaalsContact CA-NH1 3.34Å; R441-R445 VanDerWaalsContact CB-NH1 3.34Å; R441-R445 PolarHBondContact O-NH1 2.79Å
442	K	91.3	Very high	95	Very high	67 Å²	67	39.2 Å²	39.2	29%	0.291	18%	0.18	S	C	.	.			trans	-63	-37.9	-179.8	-70.8	-69.3	-164.8	-159.7	0	113.5	G337 D338 I339 E440 S444 D935	G337-K442 WeakPolarHBondContact O-CB 3.32Å; G337-K442 WeakPolarHBondContact O-CG 3.45Å; D338-K442 PolarHBondContact OD1-N 2.96Å; D338-K442 VanDerWaalsContact OD1-N 3.15Å; I339-K442 HydrophobicContact CD1-CG 4.4Å; I339-K442 HydrophobicContact CG1-CG 4.02Å; E440-K442 VanDerWaalsContact C-N 3.33Å; E440-K442 HydrophobicContact CG-CD 4.42Å; E440-K442 HydrophobicContact CG-CG 4.47Å; E440-K442 PolarHBondContact O-N 3.28Å; E440-K442 VanDerWaalsContact O-N 3.11Å; E440-K442 WeakPolarHBondContact OE1-CD 3.31Å; E440-K442 VanDerWaalsContact OE1-CE 3.23Å; E440-K442 WeakPolarHBondContact OE1-CE 3.44Å; E440-K442 IonicContact OE1-NZ 3.56Å; E440-K442 PolarHBondContact OE1-NZ 3.49Å; E440-K442 WeakPolarHBondContact OE2-CE 3.38Å; E440-K442 IonicContact OE2-NZ 2.74Å; E440-K442 PolarHBondContact OE2-NZ 2.91Å; K442-S444 PolarHBondContact O-N 2.77Å; K442-D935 WeakPolarHBondContact CE-OD2 3.44Å; K442-D935 IonicContact NZ-OD2 3.43Å; K442-D935 PolarHBondContact NZ-OD2 3.23Å
443	H	94.4	Very high	94.9	Very high	24 Å²	24	41.9 Å²	41.9	11%	0.111	19%	0.191	C	C	.	.	S	Bend	trans	-62.8	136.3	177.5	-173.2	-84.3	0	0	0	110.5	L335 N336 D338 R445	L335-H443 HydrophobicContact CB-CB 3.86Å; L335-H443 HydrophobicContact CD1-CB 4.4Å; L335-H443 WeakPolarHBondContact CD1-ND1 3.37Å; N336-H443 PolarHBondContact O-CD2 3.03Å; D338-H443 PolarHBondContact OD1-N 2.86Å; H443-R445 PolarHBondContact ND1-N 3.4Å; H443-R445 WeakPolarHBondContact O-CD 3.21Å; H443-R445 PolarHBondContact O-N 3.49Å; H443-R445 VanDerWaalsContact O-N 3.16Å; H443-R445 PolarHBondContact O-NH1 2.95Å
444	S	93.2	Very high	94.6	Very high	41 Å²	41	43.9 Å²	43.9	29%	0.287	20%	0.202	S	C	.	.			trans	-60.6	-27.3	-172.5	64.1	0	0	0	0	115	K442 A446 E533	K442-S444 PolarHBondContact O-N 2.77Å; S444-A446 PolarHBondContact O-N 3.03Å; S444-A446 VanDerWaalsContact O-N 3.15Å; S444-A446 PolarHBondContact OG-N 3.3Å; S444-A446 PolarHBondContact OG-O 3Å; S444-E533 WeakPolarHBondContact CB-O 3.34Å; S444-E533 PolarHBondContact OG-O 3.22Å
445	R	96.2	Very high	94	Very high	34 Å²	34	46.3 Å²	46.3	13%	0.128	22%	0.222	C	C	.	.	S	Bend	trans	64.2	-2.1	-168.9	-82.2	70.6	180	165.8	12.7	114.7	L335 D338 R441 H443 R498 I499	L335-R445 HydrophobicContact CD1-CG 4.28Å; D338-R445 IonicContact OD1-CZ 2.89Å; D338-R445 IonicContact OD1-NH1 3.95Å; D338-R445 PolarHBondContact OD1-NH1 3.04Å; D338-R445 IonicContact OD1-NH2 2.72Å; D338-R445 PolarHBondContact OD1-NH2 2.76Å; D338-R445 IonicContact OD2-CZ 3.09Å; D338-R445 IonicContact OD2-NH1 3.7Å; D338-R445 IonicContact OD2-NH2 3.61Å; D338-R445 PolarHBondContact OD2-NH2 2.91Å; R441-R445 VanDerWaalsContact C-NH1 3.31Å; R441-R445 VanDerWaalsContact CA-NH1 3.34Å; R441-R445 VanDerWaalsContact CB-NH1 3.34Å; R441-R445 PolarHBondContact O-NH1 2.79Å; H443-R445 PolarHBondContact ND1-N 3.4Å; H443-R445 WeakPolarHBondContact O-CD 3.21Å; H443-R445 PolarHBondContact O-N 3.49Å; H443-R445 VanDerWaalsContact O-N 3.16Å; H443-R445 PolarHBondContact O-NH1 2.95Å; R445-R498 CarbonylContact O-C 3.59Å; R445-R498 VanDerWaalsContact O-CA 3.31Å; R445-R498 WeakPolarHBondContact O-CA 3.3Å; R445-I499 HydrophobicContact CB-CB 4.15Å; R445-I499 HydrophobicContact CG-CB 4.03Å; R445-I499 HydrophobicContact CG-CG2 4.43Å; R445-I499 PolarHBondContact O-N 3.2Å
446	A	95.9	Very high	93.6	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.033	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131	166.3	0	0	0	0	0	108.5	S444 I496 C497 R498 I532 E533	S444-A446 PolarHBondContact O-N 3.03Å; S444-A446 VanDerWaalsContact O-N 3.15Å; S444-A446 PolarHBondContact OG-N 3.3Å; S444-A446 PolarHBondContact OG-O 3Å; A446-I496 HydrophobicContact CB-CG2 4.24Å; A446-C497 WeakPolarHBondContact CA-O 3.48Å; A446-R498 HydrophobicContact CB-CG 3.86Å; A446-I532 HydrophobicContact CB-CG2 3.7Å; A446-E533 WeakPolarHBondContact O-CA 3.49Å
447	V	96.1	Very high	93.2	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.6	-174.7	-66.6	0	0	0	0	111.6	F462 P464 V469 I472 I496 C497	V447-F462 HydrophobicContact CG2-CE1 3.95Å; V447-F462 WeakPolarHBondContact O-CZ 3.45Å; V447-P464 HydrophobicContact CB-CB 4.47Å; V447-P464 HydrophobicContact CG2-CB 4.37Å; V447-P464 HydrophobicContact CG2-CG 4.16Å; V447-V469 HydrophobicContact CG1-CG1 4.03Å; V447-V469 HydrophobicContact CG1-CG2 4.03Å; V447-V469 HydrophobicContact CG2-CG1 4.35Å; V447-I472 HydrophobicContact CG2-CD1 3.67Å; V447-I496 WeakPolarHBondContact O-CA 3.13Å; V447-C497 PolarHBondContact N-O 3.01Å; V447-C497 PolarHBondContact O-N 2.86Å
448	T	96	Very high	92.9	Very high	6 Å²	6	60 Å²	60	4%	0.037	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	141.8	179.4	-43.3	0	0	0	0	109.9	P464 V465 L494 L517 G529 E533	T448-P464 CarbonylContact O-C 3.56Å; T448-P464 VanDerWaalsContact O-CA 3.31Å; T448-P464 WeakPolarHBondContact O-CA 3.3Å; T448-V465 PolarHBondContact O-N 2.94Å; T448-L494 HydrophobicContact CG2-CB 4.43Å; T448-L494 HydrophobicContact CG2-CD1 4.28Å; T448-L494 HydrophobicContact CG2-CD2 4.23Å; T448-L517 HydrophobicContact CG2-CD1 3.99Å; T448-G529 WeakPolarHBondContact OG1-CA 3.3Å; T448-G529 PolarHBondContact OG1-O 3.49Å; T448-E533 VanDerWaalsContact CB-OE2 3.27Å; T448-E533 WeakPolarHBondContact CB-OE2 3.36Å; T448-E533 PolarHBondContact N-OE2 2.9Å; T448-E533 PolarHBondContact OG1-OE2 2.72Å
449	G	94.9	Very high	92.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-171.9	-176.4	0	0	0	0	0	115.2	S463 L495	G449-S463 VanDerWaalsContact CA-O 3.28Å; G449-S463 WeakPolarHBondContact CA-O 3.11Å; G449-L495 PolarHBondContact N-O 2.67Å; G449-L495 PolarHBondContact O-N 3.32Å
450	H	94	Very high	92.6	Very high	55 Å²	55	58.3 Å²	58.3	26%	0.255	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.6	-171	-57.5	84.1	0	0	0	111.1	F462 S463 A491	H450-F462 WeakPolarHBondContact O-CA 3.39Å; H450-S463 PolarHBondContact N-O 2.73Å; H450-S463 PolarHBondContact O-N 3.31Å; H450-A491 PolarHBondContact CD2-O 2.63Å
451	L	93.1	Very high	92.6	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.8	174.6	-76.5	171.8	0	0	0	111.7	A460 F462 V474 F483 L495 L513	L451-A460 HydrophobicContact CD2-CB 3.99Å; L451-F462 HydrophobicContact CD2-CB 3.99Å; L451-F462 HydrophobicContact CD2-CD2 3.89Å; L451-F462 HydrophobicContact CD2-CG 4.45Å; L451-F462 HydrophobicContact CG-CD2 4.18Å; L451-V474 HydrophobicContact CD2-CB 4.45Å; L451-F483 HydrophobicContact CB-CD2 4.32Å; L451-F483 HydrophobicContact CB-CE1 4.35Å; L451-F483 HydrophobicContact CB-CE2 3.59Å; L451-F483 HydrophobicContact CB-CZ 3.6Å; L451-F483 HydrophobicContact CD1-CE1 4.49Å; L451-F483 HydrophobicContact CD1-CZ 4.47Å; L451-L495 HydrophobicContact CD1-CD1 4.28Å; L451-L495 HydrophobicContact CD1-CD2 3.93Å; L451-L495 HydrophobicContact CG-CD1 4.19Å; L451-L513 HydrophobicContact CD1-CD1 4.06Å; L451-L513 HydrophobicContact CD1-CD2 4.15Å; L451-L513 HydrophobicContact CD2-CD1 4.48Å; L451-L513 HydrophobicContact CG-CD1 4.4Å
452	K	92.1	Very high	92.7	Very high	132 Å²	132	47.3 Å²	47.3	57%	0.574	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.5	168.3	-175.4	169.7	-176.7	171.4	0	110.5	M461	K452-M461 PolarHBondContact N-O 3.31Å; K452-M461 PolarHBondContact O-N 3.02Å
453	F	90.3	Very high	92.9	Very high	58 Å²	58	45.7 Å²	45.7	25%	0.254	24%	0.239	S	C	.	.			trans	-74.5	144	176.1	-175.6	-116.2	0	0	0	111	P455 L476 F483 P487	F453-P455 HydrophobicContact CD1-CG 4.12Å; F453-P455 HydrophobicContact CE1-CB 4.18Å; F453-P455 HydrophobicContact CE1-CG 3.84Å; F453-L476 HydrophobicContact CD2-CD2 3.9Å; F453-L476 HydrophobicContact CE2-CD1 4.12Å; F453-L476 HydrophobicContact CE2-CD2 3.79Å; F453-F483 HydrophobicContact CB-CE1 4.08Å; F453-F483 HydrophobicContact CB-CE2 4.34Å; F453-F483 HydrophobicContact CB-CZ 3.7Å; F453-F483 HydrophobicContact CD2-CE1 4.07Å; F453-P487 HydrophobicContact CB-CB 3.66Å; F453-P487 HydrophobicContact CB-CG 4.29Å; F453-P487 HydrophobicContact CD1-CG 4.38Å; F453-P487 HydrophobicContact CG-CB 4.36Å
454	L	89.5	Confident	93	Very high	43 Å²	43	45.2 Å²	45.2	23%	0.225	24%	0.238	C	C	.	.			trans	-133.7	99.2	-179.5	-64.8	179	0	0	0	108.2	D456 K457 F459 M461	L454-D456 VanDerWaalsContact C-N 3.29Å; L454-D456 PolarHBondContact O-N 3.42Å; L454-K457 HydrophobicContact CB-CB 4.01Å; L454-K457 HydrophobicContact CB-CG 3.91Å; L454-K457 HydrophobicContact CD1-CG 4.18Å; L454-K457 PolarHBondContact O-N 3.12Å; L454-K457 VanDerWaalsContact O-N 3.17Å; L454-F459 HydrophobicContact CD1-CE2 4.13Å; L454-M461 HydrophobicContact CD1-CB 3.84Å; L454-M461 HydrophobicContact CD1-CE 4.45Å; L454-M461 HydrophobicContact CG-CB 4.42Å
455	P	83.9	Confident	92.9	Very high	97 Å²	97	46.8 Å²	46.8	63%	0.63	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-40.5	-171.2	-28.7	35	0	0	0	114.4	F453 K457	F453-P455 HydrophobicContact CD1-CG 4.12Å; F453-P455 HydrophobicContact CE1-CB 4.18Å; F453-P455 HydrophobicContact CE1-CG 3.84Å; P455-K457 VanDerWaalsContact C-N 3.28Å; P455-K457 PolarHBondContact O-N 3.17Å
456	D	88.8	Confident	92.7	Very high	143 Å²	143	46.2 Å²	46.2	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	17.8	-174.7	-43.5	-74.5	0	0	0	114.1	L454	L454-D456 VanDerWaalsContact C-N 3.29Å; L454-D456 PolarHBondContact O-N 3.42Å
457	K	88.7	Confident	92.5	Very high	104 Å²	104	51.3 Å²	51.3	45%	0.452	27%	0.269	S	S	.	.	S	Bend	trans	-132.3	143	-176.9	-55.2	-62.7	163.5	-147.6	0	111.6	L454 P455 F459 L476	L454-K457 HydrophobicContact CB-CB 4.01Å; L454-K457 HydrophobicContact CB-CG 3.91Å; L454-K457 HydrophobicContact CD1-CG 4.18Å; L454-K457 PolarHBondContact O-N 3.12Å; L454-K457 VanDerWaalsContact O-N 3.17Å; P455-K457 VanDerWaalsContact C-N 3.28Å; P455-K457 PolarHBondContact O-N 3.17Å; K457-F459 HydrophobicContact CB-CD1 4.14Å; K457-F459 HydrophobicContact CB-CD2 4.31Å; K457-F459 HydrophobicContact CB-CE1 3.99Å; K457-F459 HydrophobicContact CB-CE2 4.17Å; K457-F459 HydrophobicContact CB-CG 4.3Å; K457-F459 HydrophobicContact CB-CZ 4.01Å; K457-F459 HydrophobicContact CD-CE1 4.22Å; K457-F459 HydrophobicContact CD-CZ 3.99Å; K457-F459 HydrophobicContact CG-CE1 4.37Å; K457-F459 HydrophobicContact CG-CE2 4.27Å; K457-F459 HydrophobicContact CG-CZ 4Å; K457-F459 PolarHBondContact O-N 3.11Å; K457-F459 VanDerWaalsContact O-N 3.08Å; K457-L476 WeakPolarHBondContact O-CD1 3.47Å
458	P	90.3	Very high	92.4	Very high	103 Å²	103	53.6 Å²	53.6	67%	0.669	28%	0.277	S	S	*	.	S	Bend	trans	-75.8	12.2	174	33.1	-35.5	0	0	0	113.4	L476	P458-L476 PolarHBondContact O-N 2.74Å
459	F	92.9	Very high	92.4	Very high	53 Å²	53	53.8 Å²	53.8	23%	0.232	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.8	-177.7	58.2	-97.4	0	0	0	110.7	L454 K457 N473 V474	L454-F459 HydrophobicContact CD1-CE2 4.13Å; K457-F459 HydrophobicContact CB-CD1 4.14Å; K457-F459 HydrophobicContact CB-CD2 4.31Å; K457-F459 HydrophobicContact CB-CE1 3.99Å; K457-F459 HydrophobicContact CB-CE2 4.17Å; K457-F459 HydrophobicContact CB-CG 4.3Å; K457-F459 HydrophobicContact CB-CZ 4.01Å; K457-F459 HydrophobicContact CD-CE1 4.22Å; K457-F459 HydrophobicContact CD-CZ 3.99Å; K457-F459 HydrophobicContact CG-CE1 4.37Å; K457-F459 HydrophobicContact CG-CE2 4.27Å; K457-F459 HydrophobicContact CG-CZ 4Å; K457-F459 PolarHBondContact O-N 3.11Å; K457-F459 VanDerWaalsContact O-N 3.08Å; F459-N473 HydrophobicContact CB-CB 4.36Å; F459-N473 HydrophobicContact CD2-CB 3.86Å; F459-N473 WeakPolarHBondContact CD2-OD1 3.09Å; F459-N473 HydrophobicContact CE2-CB 4.32Å; F459-N473 VanDerWaalsContact CE2-OD1 3.22Å; F459-N473 WeakPolarHBondContact CE2-OD1 3.38Å; F459-N473 HydrophobicContact CG-CB 4.09Å; F459-V474 CarbonylContact C-O 3.55Å; F459-V474 WeakPolarHBondContact CA-O 3.37Å; F459-V474 VanDerWaalsContact CB-O 3.28Å; F459-V474 WeakPolarHBondContact CB-O 3.46Å
460	A	94.1	Very high	92.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	154	163.4	0	0	0	0	0	110.1	L451 V474 L476 F483	L451-A460 HydrophobicContact CD2-CB 3.99Å; A460-V474 PolarHBondContact N-O 3.23Å; A460-V474 PolarHBondContact O-N 3Å; A460-L476 HydrophobicContact CB-CD2 4.04Å; A460-F483 HydrophobicContact CB-CE1 3.79Å; A460-F483 HydrophobicContact CB-CZ 4.17Å
461	M	95.3	Very high	92.5	Very high	21 Å²	21	58.4 Å²	58.4	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106.8	171.5	177.5	173.5	-73.9	0	0	109.2	K452 L454 R471 F508	K452-M461 PolarHBondContact N-O 3.31Å; K452-M461 PolarHBondContact O-N 3.02Å; L454-M461 HydrophobicContact CD1-CB 3.84Å; L454-M461 HydrophobicContact CD1-CE 4.45Å; L454-M461 HydrophobicContact CG-CB 4.42Å; M461-R471 HydrophobicContact CG-CB 4.21Å; M461-R471 HydrophobicContact SD-CB 4.45Å; M461-R471 WeakPolarHBondContact SD-CD 3.25Å; M461-F508 HydrophobicContact CE-CD2 4.29Å; M461-F508 HydrophobicContact CE-CE1 4.33Å; M461-F508 HydrophobicContact CE-CE2 3.83Å; M461-F508 HydrophobicContact CE-CZ 3.86Å
462	F	96.4	Very high	92.7	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.3	169.6	-175.7	-83.8	0	0	0	109.6	V447 H450 L451 P464 R471 I472 V474 L495 C497 L513	V447-F462 HydrophobicContact CG2-CE1 3.95Å; V447-F462 WeakPolarHBondContact O-CZ 3.45Å; H450-F462 WeakPolarHBondContact O-CA 3.39Å; L451-F462 HydrophobicContact CD2-CB 3.99Å; L451-F462 HydrophobicContact CD2-CD2 3.89Å; L451-F462 HydrophobicContact CD2-CG 4.45Å; L451-F462 HydrophobicContact CG-CD2 4.18Å; F462-P464 HydrophobicContact CD1-CG 4.14Å; F462-P464 HydrophobicContact CE1-CB 4.43Å; F462-P464 HydrophobicContact CE1-CG 4.08Å; F462-R471 WeakPolarHBondContact O-CA 3.35Å; F462-I472 HydrophobicContact CB-CB 4.25Å; F462-I472 HydrophobicContact CD1-CD1 3.96Å; F462-I472 HydrophobicContact CD1-CG1 4.43Å; F462-I472 HydrophobicContact CE1-CD1 4.39Å; F462-I472 PolarHBondContact N-O 3.24Å; F462-I472 PolarHBondContact O-N 2.75Å; F462-V474 HydrophobicContact CB-CG2 3.76Å; F462-L495 HydrophobicContact CE2-CB 4.28Å; F462-L495 WeakPolarHBondContact CE2-O 3.4Å; F462-L495 WeakPolarHBondContact CZ-O 3.22Å; F462-C497 HydrophobicContact CD1-CB 3.65Å; F462-C497 HydrophobicContact CD2-CB 3.7Å; F462-C497 HydrophobicContact CE1-CB 3.58Å; F462-C497 HydrophobicContact CE2-CB 3.62Å; F462-C497 HydrophobicContact CG-CB 3.7Å; F462-C497 HydrophobicContact CZ-CB 3.54Å; F462-L513 HydrophobicContact CD2-CD1 4.4Å; F462-L513 HydrophobicContact CE2-CD1 4.44Å
463	S	95.8	Very high	93	Very high	33 Å²	33	52.8 Å²	52.8	23%	0.231	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	106.4	179.8	-58.7	0	0	0	0	109.2	G449 H450	G449-S463 VanDerWaalsContact CA-O 3.28Å; G449-S463 WeakPolarHBondContact CA-O 3.11Å; H450-S463 PolarHBondContact N-O 2.73Å; H450-S463 PolarHBondContact O-N 3.31Å
464	P	95.3	Very high	93.2	Very high	14 Å²	14	50 Å²	50	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	154.5	176.4	-22.8	33.7	0	0	0	112.9	V447 T448 F462 V469 P470 I472	V447-P464 HydrophobicContact CB-CB 4.47Å; V447-P464 HydrophobicContact CG2-CB 4.37Å; V447-P464 HydrophobicContact CG2-CG 4.16Å; T448-P464 CarbonylContact O-C 3.56Å; T448-P464 VanDerWaalsContact O-CA 3.31Å; T448-P464 WeakPolarHBondContact O-CA 3.3Å; F462-P464 HydrophobicContact CD1-CG 4.14Å; F462-P464 HydrophobicContact CE1-CB 4.43Å; F462-P464 HydrophobicContact CE1-CG 4.08Å; P464-V469 HydrophobicContact CB-CB 4.04Å; P464-V469 HydrophobicContact CB-CG1 4.23Å; P464-V469 HydrophobicContact CG-CB 3.98Å; P464-V469 HydrophobicContact CG-CG1 3.74Å; P464-P470 WeakPolarHBondContact CG-O 3.36Å; P464-I472 HydrophobicContact CG-CD1 4.35Å
465	V	92.3	Very high	93.4	Very high	75 Å²	75	53.8 Å²	53.8	46%	0.455	27%	0.274	S	S	.	.	S	Bend	trans	-70.4	-43.1	169.8	-178.8	0	0	0	0	110.3	T448 H467 L494	T448-V465 PolarHBondContact O-N 2.94Å; V465-H467 PolarHBondContact O-CE1 3.05Å; V465-H467 PolarHBondContact O-N 3.46Å; V465-H467 PolarHBondContact O-ND1 3.43Å; V465-L494 HydrophobicContact CG2-CD2 4.49Å
466	D	91.3	Very high	93.7	Very high	22 Å²	22	50.1 Å²	50.1	12%	0.118	25%	0.25	C	C	.	.	S	Bend	trans	-72.1	109	173.4	-177.2	4	0	0	0	111.8	R468 V469	D466-R468 VanDerWaalsContact CG-NE 3.29Å; D466-R468 PolarHBondContact O-N 2.91Å; D466-R468 VanDerWaalsContact O-N 3.14Å; D466-R468 VanDerWaalsContact OD1-CB 3.26Å; D466-R468 WeakPolarHBondContact OD1-CB 3.41Å; D466-R468 VanDerWaalsContact OD1-CG 3.28Å; D466-R468 WeakPolarHBondContact OD1-CG 3.04Å; D466-R468 IonicContact OD1-CZ 2.66Å; D466-R468 PolarHBondContact OD1-N 2.96Å; D466-R468 IonicContact OD1-NE 2.69Å; D466-R468 PolarHBondContact OD1-NE 2.87Å; D466-R468 IonicContact OD1-NH2 3.21Å; D466-R468 IonicContact OD2-CZ 3.28Å; D466-R468 IonicContact OD2-NE 2.7Å; D466-R468 PolarHBondContact OD2-NE 2.86Å; D466-R468 IonicContact OD2-NH2 3.41Å; D466-R468 PolarHBondContact OD2-NH2 2.85Å; D466-V469 HydrophobicContact CB-CG2 4.02Å; D466-V469 WeakPolarHBondContact O-CB 3.34Å; D466-V469 PolarHBondContact O-N 3.17Å
467	H	91.2	Very high	93.7	Very high	110 Å²	110	49.7 Å²	49.7	51%	0.509	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.3	179	-56.7	-27.1	0	0	0	114.3	Y309 V465 V469	Y309-H467 WeakPolarHBondContact CB-O 3.4Å; V465-H467 PolarHBondContact O-CE1 3.05Å; V465-H467 PolarHBondContact O-N 3.46Å; V465-H467 PolarHBondContact O-ND1 3.43Å; H467-V469 PolarHBondContact O-N 3.1Å
468	R	94.1	Very high	93.6	Very high	48 Å²	48	47.5 Å²	47.5	18%	0.181	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.4	172.6	-59.4	172.8	-64.5	-162.8	1.2	112.4	I304 P306 N336 D466	I304-R468 HydrophobicContact CB-CB 4.03Å; I304-R468 HydrophobicContact CB-CG 3.98Å; I304-R468 HydrophobicContact CD1-CB 4.3Å; I304-R468 HydrophobicContact CG2-CB 3.91Å; I304-R468 HydrophobicContact CG2-CG 3.88Å; I304-R468 WeakPolarHBondContact O-CD 3.34Å; P306-R468 HydrophobicContact CB-CG 4.21Å; N336-R468 HydrophobicContact CB-CB 4.49Å; D466-R468 VanDerWaalsContact CG-NE 3.29Å; D466-R468 PolarHBondContact O-N 2.91Å; D466-R468 VanDerWaalsContact O-N 3.14Å; D466-R468 VanDerWaalsContact OD1-CB 3.26Å; D466-R468 WeakPolarHBondContact OD1-CB 3.41Å; D466-R468 VanDerWaalsContact OD1-CG 3.28Å; D466-R468 WeakPolarHBondContact OD1-CG 3.04Å; D466-R468 IonicContact OD1-CZ 2.66Å; D466-R468 PolarHBondContact OD1-N 2.96Å; D466-R468 IonicContact OD1-NE 2.69Å; D466-R468 PolarHBondContact OD1-NE 2.87Å; D466-R468 IonicContact OD1-NH2 3.21Å; D466-R468 IonicContact OD2-CZ 3.28Å; D466-R468 IonicContact OD2-NE 2.7Å; D466-R468 PolarHBondContact OD2-NE 2.86Å; D466-R468 IonicContact OD2-NH2 3.41Å; D466-R468 PolarHBondContact OD2-NH2 2.85Å
469	V	95.6	Very high	93.6	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.067	21%	0.212	C	C	.	.	S	Bend	trans	-90.9	136	-178.6	-174.5	0	0	0	0	109.6	V447 P464 D466 H467 I499	V447-V469 HydrophobicContact CG1-CG1 4.03Å; V447-V469 HydrophobicContact CG1-CG2 4.03Å; V447-V469 HydrophobicContact CG2-CG1 4.35Å; P464-V469 HydrophobicContact CB-CB 4.04Å; P464-V469 HydrophobicContact CB-CG1 4.23Å; P464-V469 HydrophobicContact CG-CB 3.98Å; P464-V469 HydrophobicContact CG-CG1 3.74Å; D466-V469 HydrophobicContact CB-CG2 4.02Å; D466-V469 WeakPolarHBondContact O-CB 3.34Å; D466-V469 PolarHBondContact O-N 3.17Å; H467-V469 PolarHBondContact O-N 3.1Å; V469-I499 HydrophobicContact CG1-CD1 3.92Å
470	P	95.3	Very high	93.2	Very high	16 Å²	16	41.9 Å²	41.9	10%	0.104	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-63	154.9	174.3	31.3	-40.3	0	0	0	111.8	L335 P464 I472 W502 A509	L335-P470 HydrophobicContact CD2-CG 4.4Å; P464-P470 WeakPolarHBondContact CG-O 3.36Å; P470-I472 WeakPolarHBondContact O-CG1 3.36Å; P470-W502 HydrophobicContact CB-CH2 3.61Å; P470-W502 HydrophobicContact CB-CZ2 3.84Å; P470-W502 HydrophobicContact CB-CZ3 4.08Å; P470-W502 HydrophobicContact CG-CE3 3.99Å; P470-W502 HydrophobicContact CG-CH2 3.63Å; P470-W502 HydrophobicContact CG-CZ2 4.15Å; P470-W502 HydrophobicContact CG-CZ3 3.54Å; P470-A509 HydrophobicContact CG-CB 3.96Å
471	R	96.8	Very high	92.7	Very high	135 Å²	135	50.1 Å²	50.1	51%	0.509	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-62.5	147.2	162.9	-58.7	-172.3	-168.4	163.8	4	109.8	M461 F462 F508 A509	M461-R471 HydrophobicContact CG-CB 4.21Å; M461-R471 HydrophobicContact SD-CB 4.45Å; M461-R471 WeakPolarHBondContact SD-CD 3.25Å; F462-R471 WeakPolarHBondContact O-CA 3.35Å; R471-F508 HydrophobicContact CB-CD1 3.89Å; R471-F508 HydrophobicContact CB-CE1 4.17Å; R471-F508 WeakPolarHBondContact O-CB 3.39Å; R471-A509 PolarHBondContact O-N 3.48Å
472	I	97.8	Very high	92.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.8	-169.3	-45.6	169.3	0	0	0	109.1	V447 F462 P464 P470 V474 C497 I499 A509 G511	V447-I472 HydrophobicContact CG2-CD1 3.67Å; F462-I472 HydrophobicContact CB-CB 4.25Å; F462-I472 HydrophobicContact CD1-CD1 3.96Å; F462-I472 HydrophobicContact CD1-CG1 4.43Å; F462-I472 HydrophobicContact CE1-CD1 4.39Å; F462-I472 PolarHBondContact N-O 3.24Å; F462-I472 PolarHBondContact O-N 2.75Å; P464-I472 HydrophobicContact CG-CD1 4.35Å; P470-I472 WeakPolarHBondContact O-CG1 3.36Å; I472-V474 HydrophobicContact CG2-CG2 4.42Å; I472-C497 HydrophobicContact CD1-CB 4.05Å; I472-I499 HydrophobicContact CD1-CD1 4.08Å; I472-I499 HydrophobicContact CD1-CG1 3.48Å; I472-I499 VanDerWaalsContact CD1-CG1 3.48Å; I472-I499 HydrophobicContact CG1-CG1 4.07Å; I472-A509 CarbonylContact C-O 3.55Å; I472-A509 WeakPolarHBondContact CA-O 2.83Å; I472-A509 HydrophobicContact CG1-CB 4.43Å; I472-A509 HydrophobicContact CG2-CB 4.36Å; I472-G511 VanDerWaalsContact CG2-N 3.35Å
473	N	96.8	Very high	91.7	Very high	22 Å²	22	55.7 Å²	55.7	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.4	169.9	-64.1	-26.9	0	0	0	108.7	F459 A509 G511	F459-N473 HydrophobicContact CB-CB 4.36Å; F459-N473 HydrophobicContact CD2-CB 3.86Å; F459-N473 WeakPolarHBondContact CD2-OD1 3.09Å; F459-N473 HydrophobicContact CE2-CB 4.32Å; F459-N473 VanDerWaalsContact CE2-OD1 3.22Å; F459-N473 WeakPolarHBondContact CE2-OD1 3.38Å; F459-N473 HydrophobicContact CG-CB 4.09Å; N473-A509 PolarHBondContact N-O 3.25Å; N473-G511 PolarHBondContact O-N 3.33Å; N473-G511 VanDerWaalsContact O-N 3.12Å
474	V	95.9	Very high	91	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.5	177.8	-179.9	0	0	0	0	108.6	L451 F459 A460 F462 I472 L476 D478 C497 L513	L451-V474 HydrophobicContact CD2-CB 4.45Å; F459-V474 CarbonylContact C-O 3.55Å; F459-V474 WeakPolarHBondContact CA-O 3.37Å; F459-V474 VanDerWaalsContact CB-O 3.28Å; F459-V474 WeakPolarHBondContact CB-O 3.46Å; A460-V474 PolarHBondContact N-O 3.23Å; A460-V474 PolarHBondContact O-N 3Å; F462-V474 HydrophobicContact CB-CG2 3.76Å; I472-V474 HydrophobicContact CG2-CG2 4.42Å; V474-L476 PolarHBondContact O-N 3.13Å; V474-D478 HydrophobicContact CG1-CB 4.16Å; V474-C497 VanDerWaalsContact CG2-SG 3.58Å; V474-L513 HydrophobicContact CG1-CB 4.3Å
475	K	93.6	Very high	90.4	Very high	122 Å²	122	62.3 Å²	62.3	53%	0.53	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	139.8	-177.9	-63.7	-177.8	-179.8	-178.2	0	110.1	D477 D478 C479	K475-D477 PolarHBondContact O-N 2.97Å; K475-D477 VanDerWaalsContact O-N 3.1Å; K475-D478 PolarHBondContact O-N 2.93Å; K475-C479 PolarHBondContact O-SG 3.44Å
476	L	90.3	Very high	90	Very high	21 Å²	21	62.9 Å²	62.9	11%	0.11	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.2	-23	179.4	-71.5	177.2	0	0	0	112.7	F453 K457 P458 A460 V474 C479 R484	F453-L476 HydrophobicContact CD2-CD2 3.9Å; F453-L476 HydrophobicContact CE2-CD1 4.12Å; F453-L476 HydrophobicContact CE2-CD2 3.79Å; K457-L476 WeakPolarHBondContact O-CD1 3.47Å; P458-L476 PolarHBondContact O-N 2.74Å; A460-L476 HydrophobicContact CB-CD2 4.04Å; V474-L476 PolarHBondContact O-N 3.13Å; L476-C479 WeakPolarHBondContact O-CB 3.36Å; L476-C479 PolarHBondContact O-N 3.06Å; L476-R484 PolarHBondContact O-NE 3.42Å; L476-R484 PolarHBondContact O-NH2 2.9Å
477	D	88.8	Confident	89.7	Confident	134 Å²	134	64.1 Å²	64.1	72%	0.717	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-78.9	-18.8	176.7	-54.2	-38	0	0	0	113.2	K475 C479 R484	K475-D477 PolarHBondContact O-N 2.97Å; K475-D477 VanDerWaalsContact O-N 3.1Å; D477-C479 VanDerWaalsContact C-N 3.32Å; D477-R484 IonicContact OD1-CZ 3.07Å; D477-R484 IonicContact OD1-NH1 2.69Å; D477-R484 IonicContact OD1-NH2 2.78Å; D477-R484 PolarHBondContact OD1-NH2 3.14Å
478	D	86.6	Confident	89.4	Confident	57 Å²	57	61.4 Å²	61.4	31%	0.305	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-87.1	-2.9	170.2	-62.7	-39.8	0	0	0	111.7	V474 K475 L513	V474-D478 HydrophobicContact CG1-CB 4.16Å; K475-D478 PolarHBondContact O-N 2.93Å; D478-L513 WeakPolarHBondContact O-CB 3.34Å
479	C	89.1	Confident	88.9	Confident	12 Å²	12	63.8 Å²	63.8	8%	0.081	34%	0.337	C	S	.	.	S	Bend	trans	-94.4	153.3	-179.1	-60.4	0	0	0	0	111.8	K475 L476 D477 F483	K475-C479 PolarHBondContact O-SG 3.44Å; L476-C479 WeakPolarHBondContact O-CB 3.36Å; L476-C479 PolarHBondContact O-N 3.06Å; D477-C479 VanDerWaalsContact C-N 3.32Å; C479-F483 HydrophobicContact CB-CD1 3.91Å
480	P	85.9	Confident	88.5	Confident	27 Å²	27	64 Å²	64	18%	0.175	34%	0.338	C	S	.	.			trans	-56.3	144.3	175.1	-24.4	35.2	0	0	0	112	E482 F483 F490 L513	P480-E482 VanDerWaalsContact C-N 3.26Å; P480-E482 PolarHBondContact O-N 3.43Å; P480-F483 HydrophobicContact CB-CB 4.29Å; P480-F483 WeakPolarHBondContact O-CB 3.45Å; P480-F483 PolarHBondContact O-N 2.92Å; P480-F483 VanDerWaalsContact O-N 3.16Å; P480-F490 HydrophobicContact CB-CE1 4.18Å; P480-F490 HydrophobicContact CB-CZ 3.96Å; P480-F490 HydrophobicContact CG-CE1 3.89Å; P480-F490 HydrophobicContact CG-CZ 4.2Å; P480-L513 HydrophobicContact CG-CD2 4.27Å
481	M	82.6	Confident	88	Confident	173 Å²	173	66.3 Å²	66.3	85%	0.852	36%	0.358	S	S	*	.	H	α-helix	trans	-60.4	-39.1	179.4	-70.5	178.4	61.2	0	0	111.9	F483 R484	M481-F483 VanDerWaalsContact C-N 3.28Å; M481-F483 PolarHBondContact O-N 3.38Å; M481-R484 PolarHBondContact O-N 3.22Å
482	E	84.1	Confident	87.5	Confident	138 Å²	138	66.6 Å²	66.6	65%	0.645	36%	0.363	S	S	*	.	H	α-helix	trans	-62.6	-32.5	178.6	-65.2	134.9	171.3	0	0	112.5	P480 R484 A485 N486 F490	P480-E482 VanDerWaalsContact C-N 3.26Å; P480-E482 PolarHBondContact O-N 3.43Å; E482-R484 VanDerWaalsContact C-N 3.26Å; E482-R484 PolarHBondContact O-N 2.95Å; E482-A485 PolarHBondContact O-N 2.75Å; E482-N486 PolarHBondContact O-N 3.02Å; E482-F490 HydrophobicContact CB-CE2 4.06Å; E482-F490 HydrophobicContact CB-CZ 4.23Å
483	F	86.1	Confident	87.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-29.5	-179.7	171.8	-106.1	0	0	0	113.3	L451 F453 A460 C479 P480 M481 A485 P487 F490	L451-F483 HydrophobicContact CB-CD2 4.32Å; L451-F483 HydrophobicContact CB-CE1 4.35Å; L451-F483 HydrophobicContact CB-CE2 3.59Å; L451-F483 HydrophobicContact CB-CZ 3.6Å; L451-F483 HydrophobicContact CD1-CE1 4.49Å; L451-F483 HydrophobicContact CD1-CZ 4.47Å; F453-F483 HydrophobicContact CB-CE1 4.08Å; F453-F483 HydrophobicContact CB-CE2 4.34Å; F453-F483 HydrophobicContact CB-CZ 3.7Å; F453-F483 HydrophobicContact CD2-CE1 4.07Å; A460-F483 HydrophobicContact CB-CE1 3.79Å; A460-F483 HydrophobicContact CB-CZ 4.17Å; C479-F483 HydrophobicContact CB-CD1 3.91Å; P480-F483 HydrophobicContact CB-CB 4.29Å; P480-F483 WeakPolarHBondContact O-CB 3.45Å; P480-F483 PolarHBondContact O-N 2.92Å; P480-F483 VanDerWaalsContact O-N 3.16Å; M481-F483 VanDerWaalsContact C-N 3.28Å; M481-F483 PolarHBondContact O-N 3.38Å; F483-A485 VanDerWaalsContact C-N 3.35Å; F483-P487 HydrophobicContact CD2-CB 4.36Å; F483-P487 HydrophobicContact CE2-CB 4.15Å; F483-P487 WeakPolarHBondContact O-CA 3.37Å; F483-P487 WeakPolarHBondContact O-CB 3.17Å; F483-F490 HydrophobicContact CB-CD2 3.82Å; F483-F490 HydrophobicContact CB-CE2 3.79Å; F483-F490 HydrophobicContact CB-CG 4.22Å; F483-F490 HydrophobicContact CB-CZ 4.15Å; F483-F490 HydrophobicContact CD2-CB 3.67Å; F483-F490 HydrophobicContact CD2-CD1 4.41Å; F483-F490 AromaticContact CD2-CD2 3.78Å; F483-F490 HydrophobicContact CD2-CD2 3.78Å; F483-F490 AromaticContact CD2-CG 3.68Å; F483-F490 HydrophobicContact CD2-CG 3.68Å; F483-F490 HydrophobicContact CE2-CB 4.12Å; F483-F490 HydrophobicContact CG-CD2 4.31Å; F483-F490 HydrophobicContact CG-CG 4.41Å
484	R	81.3	Confident	87.1	Confident	114 Å²	114	66.1 Å²	66.1	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-75.4	-24.7	174.7	-59.5	-167.7	-164	-174.3	9.4	112.9	L476 D477 M481 E482	L476-R484 PolarHBondContact O-NE 3.42Å; L476-R484 PolarHBondContact O-NH2 2.9Å; D477-R484 IonicContact OD1-CZ 3.07Å; D477-R484 IonicContact OD1-NH1 2.69Å; D477-R484 IonicContact OD1-NH2 2.78Å; D477-R484 PolarHBondContact OD1-NH2 3.14Å; M481-R484 PolarHBondContact O-N 3.22Å; E482-R484 VanDerWaalsContact C-N 3.26Å; E482-R484 PolarHBondContact O-N 2.95Å
485	A	83	Confident	87.1	Confident	72 Å²	72	66.1 Å²	66.1	60%	0.595	36%	0.361	S	S	*	.	H	α-helix	trans	-86.3	-52	177.7	0	0	0	0	0	111	E482 F483 P487	E482-A485 PolarHBondContact O-N 2.75Å; F483-A485 VanDerWaalsContact C-N 3.35Å; A485-P487 WeakPolarHBondContact O-CD 3.35Å
486	N	84.9	Confident	87.2	Confident	86 Å²	86	60.3 Å²	60.3	46%	0.46	34%	0.336	S	S	.	.			trans	-122.9	74	-176.7	-61.3	-0	0	0	0	110.8	E482 G488 D489	E482-N486 PolarHBondContact O-N 3.02Å; N486-G488 PolarHBondContact O-N 3Å; N486-G488 VanDerWaalsContact O-N 3.13Å; N486-D489 HydrophobicContact CB-CB 4.31Å; N486-D489 WeakPolarHBondContact CB-OD2 3.29Å; N486-D489 PolarHBondContact ND2-OD2 3.27Å; N486-D489 PolarHBondContact O-N 2.86Å
487	P	84.8	Confident	87.5	Confident	48 Å²	48	59.3 Å²	59.3	31%	0.312	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.3	177.8	25.9	-34.5	0	0	0	113.4	F453 F483 A485	F453-P487 HydrophobicContact CB-CB 3.66Å; F453-P487 HydrophobicContact CB-CG 4.29Å; F453-P487 HydrophobicContact CD1-CG 4.38Å; F453-P487 HydrophobicContact CG-CB 4.36Å; F483-P487 HydrophobicContact CD2-CB 4.36Å; F483-P487 HydrophobicContact CE2-CB 4.15Å; F483-P487 WeakPolarHBondContact O-CA 3.37Å; F483-P487 WeakPolarHBondContact O-CB 3.17Å; A485-P487 WeakPolarHBondContact O-CD 3.35Å
488	G	83.9	Confident	87.9	Confident	54 Å²	54	59.9 Å²	59.9	56%	0.557	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.6	174.9	0	0	0	0	0	113.9	N486 F490 A491	N486-G488 PolarHBondContact O-N 3Å; N486-G488 VanDerWaalsContact O-N 3.13Å; G488-F490 PolarHBondContact O-N 2.74Å; G488-A491 WeakPolarHBondContact O-CB 3.47Å; G488-A491 PolarHBondContact O-N 3.14Å
489	D	83.8	Confident	88.4	Confident	97 Å²	97	58.3 Å²	58.3	52%	0.519	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.9	-179.2	-57.9	-6.1	0	0	0	111.1	N486 T493	N486-D489 HydrophobicContact CB-CB 4.31Å; N486-D489 WeakPolarHBondContact CB-OD2 3.29Å; N486-D489 PolarHBondContact ND2-OD2 3.27Å; N486-D489 PolarHBondContact O-N 2.86Å; D489-T493 PolarHBondContact O-OG1 3.13Å; D489-T493 VanDerWaalsContact O-OG1 3.11Å
490	F	86.6	Confident	88.7	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.075	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.4	178.1	-67.7	-94.9	0	0	0	113.9	P480 E482 F483 G488 K492 T493 L495	P480-F490 HydrophobicContact CB-CE1 4.18Å; P480-F490 HydrophobicContact CB-CZ 3.96Å; P480-F490 HydrophobicContact CG-CE1 3.89Å; P480-F490 HydrophobicContact CG-CZ 4.2Å; E482-F490 HydrophobicContact CB-CE2 4.06Å; E482-F490 HydrophobicContact CB-CZ 4.23Å; F483-F490 HydrophobicContact CB-CD2 3.82Å; F483-F490 HydrophobicContact CB-CE2 3.79Å; F483-F490 HydrophobicContact CB-CG 4.22Å; F483-F490 HydrophobicContact CB-CZ 4.15Å; F483-F490 HydrophobicContact CD2-CB 3.67Å; F483-F490 HydrophobicContact CD2-CD1 4.41Å; F483-F490 AromaticContact CD2-CD2 3.78Å; F483-F490 HydrophobicContact CD2-CD2 3.78Å; F483-F490 AromaticContact CD2-CG 3.68Å; F483-F490 HydrophobicContact CD2-CG 3.68Å; F483-F490 HydrophobicContact CE2-CB 4.12Å; F483-F490 HydrophobicContact CG-CD2 4.31Å; F483-F490 HydrophobicContact CG-CG 4.41Å; G488-F490 PolarHBondContact O-N 2.74Å; F490-K492 PolarHBondContact O-N 2.82Å; F490-T493 HydrophobicContact CD1-CG2 4.16Å; F490-T493 PolarHBondContact O-N 3.18Å; F490-T493 VanDerWaalsContact O-N 3.1Å; F490-L495 HydrophobicContact CD1-CD2 4.4Å
491	A	85.4	Confident	89.2	Confident	64 Å²	64	64.4 Å²	64.4	53%	0.529	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.1	-176.2	0	0	0	0	0	114.1	H450 G488	H450-A491 PolarHBondContact CD2-O 2.63Å; G488-A491 WeakPolarHBondContact O-CB 3.47Å; G488-A491 PolarHBondContact O-N 3.14Å
492	K	86.3	Confident	89.8	Confident	140 Å²	140	57.1 Å²	57.1	61%	0.609	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	4.1	172.1	-64.8	-171.1	177.7	-172.4	0	113.5	F490 Q519 A520	F490-K492 PolarHBondContact O-N 2.82Å; K492-Q519 WeakPolarHBondContact O-CA 3.49Å; K492-Q519 PolarHBondContact O-OE1 3.15Å; K492-A520 PolarHBondContact O-N 3.05Å
493	T	92.6	Very high	90.3	Very high	11 Å²	11	51.6 Å²	51.6	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.4	179.5	-63.3	0	0	0	0	109.4	D489 F490 L495 T516 G518 Q519	D489-T493 PolarHBondContact O-OG1 3.13Å; D489-T493 VanDerWaalsContact O-OG1 3.11Å; F490-T493 HydrophobicContact CD1-CG2 4.16Å; F490-T493 PolarHBondContact O-N 3.18Å; F490-T493 VanDerWaalsContact O-N 3.1Å; T493-L495 HydrophobicContact CG2-CD1 4.33Å; T493-L495 HydrophobicContact CG2-CG 4.33Å; T493-L495 VanDerWaalsContact O-CD1 3.23Å; T493-L495 WeakPolarHBondContact O-CD1 3.4Å; T493-T516 HydrophobicContact CG2-CG2 3.54Å; T493-G518 CarbonylContact C-O 3.52Å; T493-G518 WeakPolarHBondContact CA-O 3.45Å; T493-Q519 PolarHBondContact OG1-NE2 2.74Å
494	L	94.1	Very high	90.7	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.9	172.9	-68	-179.7	0	0	0	111.3	T448 V465 L517 G518 A520 E526	T448-L494 HydrophobicContact CG2-CB 4.43Å; T448-L494 HydrophobicContact CG2-CD1 4.28Å; T448-L494 HydrophobicContact CG2-CD2 4.23Å; V465-L494 HydrophobicContact CG2-CD2 4.49Å; L494-L517 HydrophobicContact CB-CB 4.23Å; L494-L517 HydrophobicContact CB-CD1 4.28Å; L494-L517 PolarHBondContact O-N 2.79Å; L494-G518 PolarHBondContact N-O 2.65Å; L494-A520 HydrophobicContact CD1-CB 4.24Å; L494-A520 HydrophobicContact CD2-CB 3.94Å; L494-A520 HydrophobicContact CG-CB 3.85Å; L494-E526 HydrophobicContact CD1-CG 4Å; L494-E526 WeakPolarHBondContact CD1-OE2 3.19Å
495	L	95.1	Very high	91.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.8	175.3	-44.3	95.3	0	0	0	110	G449 L451 F462 F490 T493 L513 K515 T516	G449-L495 PolarHBondContact N-O 2.67Å; G449-L495 PolarHBondContact O-N 3.32Å; L451-L495 HydrophobicContact CD1-CD1 4.28Å; L451-L495 HydrophobicContact CD1-CD2 3.93Å; L451-L495 HydrophobicContact CG-CD1 4.19Å; F462-L495 HydrophobicContact CE2-CB 4.28Å; F462-L495 WeakPolarHBondContact CE2-O 3.4Å; F462-L495 WeakPolarHBondContact CZ-O 3.22Å; F490-L495 HydrophobicContact CD1-CD2 4.4Å; T493-L495 HydrophobicContact CG2-CD1 4.33Å; T493-L495 HydrophobicContact CG2-CG 4.33Å; T493-L495 VanDerWaalsContact O-CD1 3.23Å; T493-L495 WeakPolarHBondContact O-CD1 3.4Å; L495-L513 HydrophobicContact CB-CD1 3.8Å; L495-L513 HydrophobicContact CD2-CD1 4.04Å; L495-L513 HydrophobicContact CD2-CD2 3.81Å; L495-L513 HydrophobicContact CD2-CG 4.36Å; L495-L513 HydrophobicContact CG-CD1 4.5Å; L495-K515 CarbonylContact C-O 3.56Å; L495-K515 WeakPolarHBondContact CA-O 3.37Å; L495-K515 WeakPolarHBondContact CB-O 3.41Å; L495-T516 HydrophobicContact CD2-CG2 4.13Å; L495-T516 HydrophobicContact CG-CG2 4.26Å
496	I	96.2	Very high	91.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.2	168.6	-61.5	-64.7	0	0	0	109.4	A446 V447 A514 K515 L517 I532	A446-I496 HydrophobicContact CB-CG2 4.24Å; V447-I496 WeakPolarHBondContact O-CA 3.13Å; I496-A514 HydrophobicContact CB-CB 4.27Å; I496-A514 HydrophobicContact CG2-CB 3.89Å; I496-A514 PolarHBondContact O-N 2.92Å; I496-K515 PolarHBondContact N-O 2.99Å; I496-L517 HydrophobicContact CD1-CD1 3.93Å; I496-L517 HydrophobicContact CG1-CD1 4.02Å; I496-L517 HydrophobicContact CG1-CD2 3.98Å; I496-L517 HydrophobicContact CG1-CG 4.2Å; I496-I532 HydrophobicContact CD1-CB 4.05Å; I496-I532 HydrophobicContact CD1-CD1 4.32Å; I496-I532 HydrophobicContact CD1-CG2 3.8Å; I496-I532 HydrophobicContact CG1-CB 4.48Å; I496-I532 HydrophobicContact CG1-CD1 3.92Å; I496-I532 HydrophobicContact CG1-CG2 4.05Å; I496-I532 HydrophobicContact CG2-CG2 3.95Å
497	C	96.9	Very high	92.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	144.6	160.7	-173.1	0	0	0	0	110.2	A446 V447 F462 I472 V474 R512	A446-C497 WeakPolarHBondContact CA-O 3.48Å; V447-C497 PolarHBondContact N-O 3.01Å; V447-C497 PolarHBondContact O-N 2.86Å; F462-C497 HydrophobicContact CD1-CB 3.65Å; F462-C497 HydrophobicContact CD2-CB 3.7Å; F462-C497 HydrophobicContact CE1-CB 3.58Å; F462-C497 HydrophobicContact CE2-CB 3.62Å; F462-C497 HydrophobicContact CG-CB 3.7Å; F462-C497 HydrophobicContact CZ-CB 3.54Å; I472-C497 HydrophobicContact CD1-CB 4.05Å; V474-C497 VanDerWaalsContact CG2-SG 3.58Å; C497-R512 WeakPolarHBondContact CA-O 3.46Å; C497-R512 PolarHBondContact SG-O 3.14Å
498	R	97.1	Very high	92.6	Very high	146 Å²	146	50.1 Å²	50.1	55%	0.551	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.4	166.4	-77.3	-178.8	174.3	171.7	-1.2	110	R445 A446 T500 G511 R512 A514	R445-R498 CarbonylContact O-C 3.59Å; R445-R498 VanDerWaalsContact O-CA 3.31Å; R445-R498 WeakPolarHBondContact O-CA 3.3Å; A446-R498 HydrophobicContact CB-CG 3.86Å; R498-T500 PolarHBondContact O-N 3.27Å; R498-G511 CarbonylContact O-C 3.45Å; R498-G511 WeakPolarHBondContact O-CA 3.44Å; R498-R512 PolarHBondContact N-O 3.49Å; R498-R512 PolarHBondContact O-N 3.3Å; R498-A514 HydrophobicContact CG-CB 4.29Å
499	I	97.3	Very high	93.2	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.118	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118.2	172.4	-62.6	169.3	0	0	0	108.1	L335 R445 V469 I472 A509	L335-I499 HydrophobicContact CD1-CD1 3.92Å; R445-I499 HydrophobicContact CB-CB 4.15Å; R445-I499 HydrophobicContact CG-CB 4.03Å; R445-I499 HydrophobicContact CG-CG2 4.43Å; R445-I499 PolarHBondContact O-N 3.2Å; V469-I499 HydrophobicContact CG1-CD1 3.92Å; I472-I499 HydrophobicContact CD1-CD1 4.08Å; I472-I499 HydrophobicContact CD1-CG1 3.48Å; I472-I499 VanDerWaalsContact CD1-CG1 3.48Å; I472-I499 HydrophobicContact CG1-CG1 4.07Å; I499-A509 HydrophobicContact CG2-CB 4.08Å
500	T	96	Very high	93.8	Very high	78 Å²	78	46.8 Å²	46.8	48%	0.479	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-35.3	178.6	48.9	0	0	0	0	112.6	R498 E510 R512	R498-T500 PolarHBondContact O-N 3.27Å; T500-E510 PolarHBondContact N-O 3.49Å; T500-E510 PolarHBondContact OG1-O 3.39Å; T500-R512 HydrophobicContact CG2-CG 4.1Å
501	D	95.5	Very high	94.3	Very high	89 Å²	89	46.2 Å²	46.2	48%	0.476	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	169.9	176.5	-165.2	20.9	0	0	0	111.4	E510	D501-E510 PolarHBondContact N-O 3.44Å; D501-E510 VanDerWaalsContact N-O 3.15Å; D501-E510 PolarHBondContact O-N 2.98Å; D501-E510 VanDerWaalsContact O-O 3.09Å
502	W	95.9	Very high	94.8	Very high	20 Å²	20	50.2 Å²	50.2	8%	0.076	24%	0.241	C	C	.	.			trans	-139.7	95.7	166.3	-164.4	-13.2	0	0	0	109.4	F279 V328 R333 L335 P470 S506 A509	F279-W502 AromaticContact CE2-CE2 3.87Å; F279-W502 AromaticContact CE2-CZ2 3.98Å; F279-W502 HydrophobicContact CE2-CZ2 3.98Å; F279-W502 AromaticContact CE2-NE1 3.52Å; F279-W502 HydrophobicContact CZ-CH2 4.47Å; F279-W502 AromaticContact CZ-CZ2 3.69Å; F279-W502 HydrophobicContact CZ-CZ2 3.69Å; V328-W502 HydrophobicContact CG1-CH2 4.14Å; V328-W502 HydrophobicContact CG1-CZ2 4.4Å; R333-W502 HydrophobicContact CB-CB 4.32Å; R333-W502 HydrophobicContact CB-CD2 3.71Å; R333-W502 HydrophobicContact CB-CE3 3.54Å; R333-W502 HydrophobicContact CB-CG 4.06Å; R333-W502 HydrophobicContact CB-CZ3 4.07Å; R333-W502 WeakPolarHBondContact CD-O 3.36Å; R333-W502 HydrophobicContact CG-CB 4.4Å; R333-W502 HydrophobicContact CG-CD2 3.82Å; R333-W502 HydrophobicContact CG-CE3 4.17Å; R333-W502 HydrophobicContact CG-CG 3.91Å; R333-W502 VanDerWaalsContact O-CE3 3.32Å; R333-W502 WeakPolarHBondContact O-CZ3 3.33Å; L335-W502 HydrophobicContact CD2-CZ3 4.17Å; P470-W502 HydrophobicContact CB-CH2 3.61Å; P470-W502 HydrophobicContact CB-CZ2 3.84Å; P470-W502 HydrophobicContact CB-CZ3 4.08Å; P470-W502 HydrophobicContact CG-CE3 3.99Å; P470-W502 HydrophobicContact CG-CH2 3.63Å; P470-W502 HydrophobicContact CG-CZ2 4.15Å; P470-W502 HydrophobicContact CG-CZ3 3.54Å; W502-S506 PolarHBondContact NE1-O 3.1Å; W502-A509 HydrophobicContact CB-CB 4.32Å; W502-A509 HydrophobicContact CD2-CB 4.16Å; W502-A509 HydrophobicContact CG-CB 4.08Å
503	P	94.1	Very high	95.2	Very high	22 Å²	22	45.1 Å²	45.1	14%	0.143	22%	0.22	C	C	.	.			trans	-62.3	148.1	-177.5	-26.4	36	0	0	0	113.9	D505 S506 E510	P503-D505 VanDerWaalsContact CB-OD1 3.23Å; P503-D505 WeakPolarHBondContact CB-OD1 3.45Å; P503-D505 PolarHBondContact O-N 2.9Å; P503-S506 PolarHBondContact O-N 2.8Å; P503-E510 HydrophobicContact CG-CG 4.28Å
504	V	94.1	Very high	95.1	Very high	42 Å²	42	47.3 Å²	47.3	26%	0.255	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.4	-176.9	-47.1	0	0	0	0	113.7	Q277 V278 F279	Q277-V504 HydrophobicContact CG-CG2 4.18Å; V278-V504 PolarHBondContact N-O 3.13Å; F279-V504 PolarHBondContact N-O 2.91Å
505	D	93.8	Very high	95	Very high	53 Å²	53	51.8 Å²	51.8	28%	0.283	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	10.8	-179.6	64.6	-46.7	0	0	0	113.5	K275 P503	K275-D505 HydrophobicContact CB-CB 4.33Å; K275-D505 HydrophobicContact CD-CB 4.14Å; K275-D505 WeakPolarHBondContact CD-OD2 3.49Å; K275-D505 WeakPolarHBondContact CE-OD2 3.48Å; K275-D505 IonicContact NZ-OD2 2.69Å; K275-D505 PolarHBondContact NZ-OD2 3.21Å; P503-D505 VanDerWaalsContact CB-OD1 3.23Å; P503-D505 WeakPolarHBondContact CB-OD1 3.45Å; P503-D505 PolarHBondContact O-N 2.9Å
506	S	92.8	Very high	95	Very high	22 Å²	22	54.7 Å²	54.7	15%	0.154	28%	0.277	C	S	.	.			trans	-126.9	123.3	-177	-178.2	0	0	0	0	113.1	F279 W502 P503 F508	F279-S506 WeakPolarHBondContact CE2-O 3.38Å; W502-S506 PolarHBondContact NE1-O 3.1Å; P503-S506 PolarHBondContact O-N 2.8Å; S506-F508 WeakPolarHBondContact CB-O 3.39Å; S506-F508 PolarHBondContact O-N 3.06Å; S506-F508 PolarHBondContact OG-N 3.27Å; S506-F508 PolarHBondContact OG-O 3.14Å
507	N	91.9	Very high	94.9	Very high	102 Å²	102	55.9 Å²	55.9	55%	0.545	28%	0.283	S	S	.	.	S	Bend	trans	-58.5	-25	170.8	-68.8	-15.2	0	0	0	113.3	V278	V278-N507 WeakPolarHBondContact CG1-OD1 3.46Å; V278-N507 WeakPolarHBondContact CG2-OD1 3.35Å
508	F	94.5	Very high	94.7	Very high	71 Å²	71	56.7 Å²	56.7	31%	0.311	29%	0.291	S	S	.	.	S	Bend	trans	-114.2	148.4	-175.6	-57	-57.7	0	0	0	111.1	M461 R471 S506	M461-F508 HydrophobicContact CE-CD2 4.29Å; M461-F508 HydrophobicContact CE-CE1 4.33Å; M461-F508 HydrophobicContact CE-CE2 3.83Å; M461-F508 HydrophobicContact CE-CZ 3.86Å; R471-F508 HydrophobicContact CB-CD1 3.89Å; R471-F508 HydrophobicContact CB-CE1 4.17Å; R471-F508 WeakPolarHBondContact O-CB 3.39Å; S506-F508 WeakPolarHBondContact CB-O 3.39Å; S506-F508 PolarHBondContact O-N 3.06Å; S506-F508 PolarHBondContact OG-N 3.27Å; S506-F508 PolarHBondContact OG-O 3.14Å
509	A	96.9	Very high	94.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	160.7	173.8	0	0	0	0	0	111.1	P470 R471 I472 N473 I499 W502	P470-A509 HydrophobicContact CG-CB 3.96Å; R471-A509 PolarHBondContact O-N 3.48Å; I472-A509 CarbonylContact C-O 3.55Å; I472-A509 WeakPolarHBondContact CA-O 2.83Å; I472-A509 HydrophobicContact CG1-CB 4.43Å; I472-A509 HydrophobicContact CG2-CB 4.36Å; N473-A509 PolarHBondContact N-O 3.25Å; I499-A509 HydrophobicContact CG2-CB 4.08Å; W502-A509 HydrophobicContact CB-CB 4.32Å; W502-A509 HydrophobicContact CD2-CB 4.16Å; W502-A509 HydrophobicContact CG-CB 4.08Å
510	E	96.9	Very high	94.3	Very high	81 Å²	81	52.9 Å²	52.9	38%	0.379	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.2	167.8	-67.7	-164	-174.7	0	0	110.2	T500 D501 P503	T500-E510 PolarHBondContact N-O 3.49Å; T500-E510 PolarHBondContact OG1-O 3.39Å; D501-E510 PolarHBondContact N-O 3.44Å; D501-E510 VanDerWaalsContact N-O 3.15Å; D501-E510 PolarHBondContact O-N 2.98Å; D501-E510 VanDerWaalsContact O-O 3.09Å; P503-E510 HydrophobicContact CG-CG 4.28Å
511	G	96.4	Very high	94	Very high	5 Å²	5	50.1 Å²	50.1	5%	0.052	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	175.1	-180	0	0	0	0	0	113.4	I472 N473 R498	I472-G511 VanDerWaalsContact CG2-N 3.35Å; N473-G511 PolarHBondContact O-N 3.33Å; N473-G511 VanDerWaalsContact O-N 3.12Å; R498-G511 CarbonylContact O-C 3.45Å; R498-G511 WeakPolarHBondContact O-CA 3.44Å
512	R	96	Very high	94	Very high	148 Å²	148	50.4 Å²	50.4	56%	0.558	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.8	175.3	-57.2	-167.1	-165.6	-170.9	3.8	110.3	C497 R498 T500	C497-R512 WeakPolarHBondContact CA-O 3.46Å; C497-R512 PolarHBondContact SG-O 3.14Å; R498-R512 PolarHBondContact N-O 3.49Å; R498-R512 PolarHBondContact O-N 3.3Å; T500-R512 HydrophobicContact CG2-CG 4.1Å
513	L	94.7	Very high	93.9	Very high	32 Å²	32	50.3 Å²	50.3	17%	0.168	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140	168.3	-152.8	68.3	0	0	0	109.2	L451 F462 V474 D478 P480 L495	L451-L513 HydrophobicContact CD1-CD1 4.06Å; L451-L513 HydrophobicContact CD1-CD2 4.15Å; L451-L513 HydrophobicContact CD2-CD1 4.48Å; L451-L513 HydrophobicContact CG-CD1 4.4Å; F462-L513 HydrophobicContact CD2-CD1 4.4Å; F462-L513 HydrophobicContact CE2-CD1 4.44Å; V474-L513 HydrophobicContact CG1-CB 4.3Å; D478-L513 WeakPolarHBondContact O-CB 3.34Å; P480-L513 HydrophobicContact CG-CD2 4.27Å; L495-L513 HydrophobicContact CB-CD1 3.8Å; L495-L513 HydrophobicContact CD2-CD1 4.04Å; L495-L513 HydrophobicContact CD2-CD2 3.81Å; L495-L513 HydrophobicContact CD2-CG 4.36Å; L495-L513 HydrophobicContact CG-CD1 4.5Å
514	A	92.1	Very high	94	Very high	57 Å²	57	54.3 Å²	54.3	47%	0.471	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-40.2	-178.2	0	0	0	0	0	112.9	I496 R498	I496-A514 HydrophobicContact CB-CB 4.27Å; I496-A514 HydrophobicContact CG2-CB 3.89Å; I496-A514 PolarHBondContact O-N 2.92Å; R498-A514 HydrophobicContact CG-CB 4.29Å
515	K	91.7	Very high	94	Very high	95 Å²	95	53 Å²	53	41%	0.413	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	147.7	179.1	-156.1	-169.7	172	-168.6	0	110.7	L495 I496 L517 E528	L495-K515 CarbonylContact C-O 3.56Å; L495-K515 WeakPolarHBondContact CA-O 3.37Å; L495-K515 WeakPolarHBondContact CB-O 3.41Å; I496-K515 PolarHBondContact N-O 2.99Å; K515-L517 HydrophobicContact CD-CD2 4.03Å; K515-E528 WeakPolarHBondContact CD-OE1 3.22Å; K515-E528 IonicContact NZ-OE1 2.68Å; K515-E528 PolarHBondContact NZ-OE1 3.31Å; K515-E528 IonicContact NZ-OE2 3.3Å; K515-E528 PolarHBondContact NZ-OE2 3.17Å
516	T	94.1	Very high	94.2	Very high	62 Å²	62	51.6 Å²	51.6	38%	0.38	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.9	159.9	-51	0	0	0	0	108.2	T493 L495	T493-T516 HydrophobicContact CG2-CG2 3.54Å; L495-T516 HydrophobicContact CD2-CG2 4.13Å; L495-T516 HydrophobicContact CG-CG2 4.26Å
517	L	93.3	Very high	94.3	Very high	26 Å²	26	50.6 Å²	50.6	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-58.8	-174.8	-57	177.9	0	0	0	111.9	T448 L494 I496 K515 P525 E528	T448-L517 HydrophobicContact CG2-CD1 3.99Å; L494-L517 HydrophobicContact CB-CB 4.23Å; L494-L517 HydrophobicContact CB-CD1 4.28Å; L494-L517 PolarHBondContact O-N 2.79Å; I496-L517 HydrophobicContact CD1-CD1 3.93Å; I496-L517 HydrophobicContact CG1-CD1 4.02Å; I496-L517 HydrophobicContact CG1-CD2 3.98Å; I496-L517 HydrophobicContact CG1-CG 4.2Å; K515-L517 HydrophobicContact CD-CD2 4.03Å; L517-P525 HydrophobicContact CB-CB 3.92Å; L517-P525 WeakPolarHBondContact CD1-O 3.42Å; L517-E528 HydrophobicContact CD2-CB 4.34Å; L517-E528 HydrophobicContact CD2-CG 4.15Å; L517-E528 WeakPolarHBondContact CD2-OE2 3.32Å
518	G	93.6	Very high	94.5	Very high	16 Å²	16	47.5 Å²	47.5	17%	0.165	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.5	-153.8	-174	0	0	0	0	0	110.3	T493 L494	T493-G518 CarbonylContact C-O 3.52Å; T493-G518 WeakPolarHBondContact CA-O 3.45Å; L494-G518 PolarHBondContact N-O 2.65Å
519	Q	93.4	Very high	94.6	Very high	72 Å²	72	44.1 Å²	44.1	34%	0.336	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	149.3	175	-57.3	-57.1	-66.4	0	0	112.4	K492 T493 E522	K492-Q519 WeakPolarHBondContact O-CA 3.49Å; K492-Q519 PolarHBondContact O-OE1 3.15Å; T493-Q519 PolarHBondContact OG1-NE2 2.74Å; Q519-E522 HydrophobicContact CB-CG 3.99Å; Q519-E522 PolarHBondContact N-OE2 3.21Å; Q519-E522 WeakPolarHBondContact O-CB 3.18Å; Q519-E522 PolarHBondContact O-N 3.37Å
520	A	92.2	Very high	94.6	Very high	17 Å²	17	45.3 Å²	45.3	14%	0.14	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	132	172.5	0	0	0	0	0	110.8	K492 L494 P1045	K492-A520 PolarHBondContact O-N 3.05Å; L494-A520 HydrophobicContact CD1-CB 4.24Å; L494-A520 HydrophobicContact CD2-CB 3.94Å; L494-A520 HydrophobicContact CG-CB 3.85Å; A520-P1045 HydrophobicContact CB-CB 4Å; A520-P1045 HydrophobicContact CB-CG 3.93Å
521	G	90.9	Very high	94.5	Very high	21 Å²	21	41.9 Å²	41.9	22%	0.216	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	2.5	-172.2	0	0	0	0	0	116	E526	G521-E526 PolarHBondContact N-OE1 2.76Å
522	E	93.9	Very high	94.4	Very high	95 Å²	95	42.9 Å²	42.9	44%	0.444	22%	0.224	S	C	.	.			trans	-84.9	132.9	166.1	-68.3	177.7	154.7	0	0	110.1	Q519 E524 P525 E526	Q519-E522 HydrophobicContact CB-CG 3.99Å; Q519-E522 PolarHBondContact N-OE2 3.21Å; Q519-E522 WeakPolarHBondContact O-CB 3.18Å; Q519-E522 PolarHBondContact O-N 3.37Å; E522-E524 PolarHBondContact O-N 3.08Å; E522-P525 HydrophobicContact CB-CB 4.49Å; E522-P525 HydrophobicContact CB-CG 3.82Å; E522-P525 WeakPolarHBondContact O-CD 3.46Å; E522-E526 WeakPolarHBondContact O-CB 3.38Å; E522-E526 WeakPolarHBondContact O-CG 3.49Å; E522-E526 PolarHBondContact O-N 2.95Å; E522-E526 VanDerWaalsContact O-N 3.13Å
523	I	95	Very high	94.3	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.087	20%	0.203	C	C	.	.	H	α-helix	trans	-55.6	-50.6	-171.9	-71.4	175.1	0	0	0	113	T527 M760 Y951 V954	I523-T527 VanDerWaalsContact O-CB 3.25Å; I523-T527 WeakPolarHBondContact O-CB 3.44Å; I523-T527 PolarHBondContact O-N 2.84Å; I523-T527 PolarHBondContact O-OG1 3.41Å; I523-M760 HydrophobicContact CD1-SD 3.66Å; I523-Y951 HydrophobicContact CD1-CD1 4.5Å; I523-Y951 HydrophobicContact CD1-CE1 3.88Å; I523-Y951 HydrophobicContact CG2-CE2 3.7Å; I523-Y951 VanDerWaalsContact CG2-OH 3.26Å; I523-Y951 WeakPolarHBondContact CG2-OH 3.4Å; I523-V954 HydrophobicContact CD1-CG1 4.37Å; I523-V954 HydrophobicContact CG1-CG2 4.04Å
524	E	95.3	Very high	94.2	Very high	106 Å²	106	38.3 Å²	38.3	50%	0.495	21%	0.206	S	C	.	.	H	α-helix	trans	-72.4	-44.4	-172.8	-64.7	-63.6	116.8	0	0	112.9	E522 E526 T527 E528 Q632	E522-E524 PolarHBondContact O-N 3.08Å; E524-E526 PolarHBondContact O-N 2.96Å; E524-T527 PolarHBondContact O-N 2.92Å; E524-E528 PolarHBondContact O-N 3.12Å; E524-Q632 PolarHBondContact OE1-NE2 2.81Å
525	P	95.6	Very high	94.3	Very high	14 Å²	14	40.4 Å²	40.4	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-55.5	-44.5	169.8	-30.6	38.8	0	0	0	114.2	L517 E522 G529	L517-P525 HydrophobicContact CB-CB 3.92Å; L517-P525 WeakPolarHBondContact CD1-O 3.42Å; E522-P525 HydrophobicContact CB-CB 4.49Å; E522-P525 HydrophobicContact CB-CG 3.82Å; E522-P525 WeakPolarHBondContact O-CD 3.46Å; P525-G529 PolarHBondContact O-N 3.01Å
526	E	96.3	Very high	94.5	Very high	24 Å²	24	36.4 Å²	36.4	11%	0.112	19%	0.193	C	C	.	.	H	α-helix	trans	-68.5	-39.6	178.5	-64	-83.7	-164.3	0	0	111	L494 G521 E522 E524 G529 I530 L950 L1046	L494-E526 HydrophobicContact CD1-CG 4Å; L494-E526 WeakPolarHBondContact CD1-OE2 3.19Å; G521-E526 PolarHBondContact N-OE1 2.76Å; E522-E526 WeakPolarHBondContact O-CB 3.38Å; E522-E526 WeakPolarHBondContact O-CG 3.49Å; E522-E526 PolarHBondContact O-N 2.95Å; E522-E526 VanDerWaalsContact O-N 3.13Å; E524-E526 PolarHBondContact O-N 2.96Å; E526-G529 PolarHBondContact O-N 3.47Å; E526-I530 WeakPolarHBondContact O-CD1 3.47Å; E526-I530 VanDerWaalsContact O-CG1 3.28Å; E526-I530 WeakPolarHBondContact O-CG1 3.45Å; E526-I530 PolarHBondContact O-N 2.85Å; E526-L950 HydrophobicContact CB-CD1 3.7Å; E526-L950 HydrophobicContact CB-CD2 3.89Å; E526-L950 HydrophobicContact CB-CG 4.46Å; E526-L950 HydrophobicContact CG-CD1 4.09Å; E526-L1046 HydrophobicContact CB-CD1 4.41Å; E526-L1046 VanDerWaalsContact CD-CD1 3.49Å; E526-L1046 HydrophobicContact CG-CD1 3.85Å; E526-L1046 WeakPolarHBondContact OE1-CD1 3.14Å
527	T	96.8	Very high	94.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-45.6	176	-60.5	0	0	0	0	111.6	I523 E524 G529 I530 M531 L630 Q632 L950	I523-T527 VanDerWaalsContact O-CB 3.25Å; I523-T527 WeakPolarHBondContact O-CB 3.44Å; I523-T527 PolarHBondContact O-N 2.84Å; I523-T527 PolarHBondContact O-OG1 3.41Å; E524-T527 PolarHBondContact O-N 2.92Å; T527-G529 VanDerWaalsContact C-N 3.34Å; T527-I530 PolarHBondContact O-N 3.23Å; T527-M531 HydrophobicContact CG2-CE 4.28Å; T527-M531 WeakPolarHBondContact O-CG 3.48Å; T527-M531 PolarHBondContact O-N 2.85Å; T527-L630 HydrophobicContact CG2-CD1 3.68Å; T527-Q632 PolarHBondContact OG1-NE2 2.87Å; T527-L950 WeakPolarHBondContact OG1-CD2 3.39Å
528	E	96.1	Very high	94.6	Very high	36 Å²	36	38 Å²	38	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-39.3	174.4	-168.4	-177.2	-171.4	0	0	111.5	K515 L517 E524 M531 I532 F538	K515-E528 WeakPolarHBondContact CD-OE1 3.22Å; K515-E528 IonicContact NZ-OE1 2.68Å; K515-E528 PolarHBondContact NZ-OE1 3.31Å; K515-E528 IonicContact NZ-OE2 3.3Å; K515-E528 PolarHBondContact NZ-OE2 3.17Å; L517-E528 HydrophobicContact CD2-CB 4.34Å; L517-E528 HydrophobicContact CD2-CG 4.15Å; L517-E528 WeakPolarHBondContact CD2-OE2 3.32Å; E524-E528 PolarHBondContact O-N 3.12Å; E528-M531 PolarHBondContact O-N 3.47Å; E528-I532 HydrophobicContact CG-CD1 3.74Å; E528-I532 HydrophobicContact CG-CG1 4.22Å; E528-I532 WeakPolarHBondContact O-CB 3.36Å; E528-I532 WeakPolarHBondContact O-CG1 3.29Å; E528-I532 PolarHBondContact O-N 3.46Å; E528-F538 HydrophobicContact CG-CE2 4.17Å; E528-F538 HydrophobicContact CG-CZ 3.7Å
529	G	95.8	Very high	94.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-54.1	-54.7	173.7	0	0	0	0	0	112.4	T448 P525 E526 T527 M531 I532 E533	T448-G529 WeakPolarHBondContact OG1-CA 3.3Å; T448-G529 PolarHBondContact OG1-O 3.49Å; P525-G529 PolarHBondContact O-N 3.01Å; E526-G529 PolarHBondContact O-N 3.47Å; T527-G529 VanDerWaalsContact C-N 3.34Å; G529-M531 PolarHBondContact O-N 3.03Å; G529-I532 PolarHBondContact O-N 2.86Å; G529-E533 VanDerWaalsContact O-CB 3.24Å; G529-E533 WeakPolarHBondContact O-CB 3.38Å; G529-E533 PolarHBondContact O-N 2.94Å
530	I	95.9	Very high	94.8	Very high	25 Å²	25	45 Å²	45	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-56.4	-47.3	176.9	-66.7	159.9	0	0	0	111	E526 T527 Y534 V943 L946 L950	E526-I530 WeakPolarHBondContact O-CD1 3.47Å; E526-I530 VanDerWaalsContact O-CG1 3.28Å; E526-I530 WeakPolarHBondContact O-CG1 3.45Å; E526-I530 PolarHBondContact O-N 2.85Å; T527-I530 PolarHBondContact O-N 3.23Å; I530-Y534 HydrophobicContact CG2-CD2 4.49Å; I530-Y534 WeakPolarHBondContact O-CB 3.41Å; I530-Y534 WeakPolarHBondContact O-CD2 3.41Å; I530-Y534 PolarHBondContact O-N 3.39Å; I530-V943 HydrophobicContact CG2-CB 4.31Å; I530-V943 HydrophobicContact CG2-CG1 3.95Å; I530-V943 HydrophobicContact CG2-CG2 4.08Å; I530-L946 HydrophobicContact CD1-CB 4.03Å; I530-L946 HydrophobicContact CG1-CB 4.34Å; I530-L946 HydrophobicContact CG2-CB 4.01Å; I530-L946 HydrophobicContact CG2-CD1 4.08Å; I530-L950 HydrophobicContact CD1-CD2 4.18Å
531	M	95.9	Very high	95.1	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.044	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-43.6	-179.5	-72.9	-168	-62	0	0	112.8	T527 E528 G529 N535 V536 F538 L630 V635	T527-M531 HydrophobicContact CG2-CE 4.28Å; T527-M531 WeakPolarHBondContact O-CG 3.48Å; T527-M531 PolarHBondContact O-N 2.85Å; E528-M531 PolarHBondContact O-N 3.47Å; G529-M531 PolarHBondContact O-N 3.03Å; M531-N535 PolarHBondContact O-N 3.18Å; M531-V536 HydrophobicContact CB-CB 4.1Å; M531-V536 HydrophobicContact CG-CB 4.31Å; M531-V536 HydrophobicContact CG-CG1 4.4Å; M531-V536 PolarHBondContact O-N 3.14Å; M531-V536 HydrophobicContact SD-CG1 4.5Å; M531-F538 HydrophobicContact CB-CD1 3.7Å; M531-F538 HydrophobicContact CB-CE1 3.85Å; M531-F538 HydrophobicContact CE-CB 4.13Å; M531-F538 HydrophobicContact CE-CD1 3.85Å; M531-F538 HydrophobicContact CE-CD2 3.89Å; M531-F538 HydrophobicContact CE-CE1 4.21Å; M531-F538 HydrophobicContact CE-CE2 4.25Å; M531-F538 HydrophobicContact CE-CG 3.68Å; M531-F538 HydrophobicContact CE-CZ 4.4Å; M531-F538 HydrophobicContact CG-CD1 4.41Å; M531-F538 HydrophobicContact SD-CB 3.78Å; M531-F538 HydrophobicContact SD-CD1 3.91Å; M531-F538 HydrophobicContact SD-CG 3.88Å; M531-L630 HydrophobicContact CG-CD1 4.42Å; M531-L630 HydrophobicContact SD-CD1 3.89Å; M531-V635 HydrophobicContact SD-CG2 3.73Å
532	I	94.8	Very high	95.4	Very high	27 Å²	27	46.5 Å²	46.5	14%	0.138	23%	0.234	C	C	.	.	H	α-helix	trans	-67.9	-45.5	178.9	-69.5	175.7	0	0	0	111	A446 I496 E528 G529 Y534 N535 F538	A446-I532 HydrophobicContact CB-CG2 3.7Å; I496-I532 HydrophobicContact CD1-CB 4.05Å; I496-I532 HydrophobicContact CD1-CD1 4.32Å; I496-I532 HydrophobicContact CD1-CG2 3.8Å; I496-I532 HydrophobicContact CG1-CB 4.48Å; I496-I532 HydrophobicContact CG1-CD1 3.92Å; I496-I532 HydrophobicContact CG1-CG2 4.05Å; I496-I532 HydrophobicContact CG2-CG2 3.95Å; E528-I532 HydrophobicContact CG-CD1 3.74Å; E528-I532 HydrophobicContact CG-CG1 4.22Å; E528-I532 WeakPolarHBondContact O-CB 3.36Å; E528-I532 WeakPolarHBondContact O-CG1 3.29Å; E528-I532 PolarHBondContact O-N 3.46Å; G529-I532 PolarHBondContact O-N 2.86Å; I532-Y534 VanDerWaalsContact C-N 3.32Å; I532-Y534 PolarHBondContact O-N 3.32Å; I532-N535 PolarHBondContact O-N 2.91Å; I532-N535 VanDerWaalsContact O-N 3.13Å; I532-F538 HydrophobicContact CD1-CZ 4.22Å; I532-F538 HydrophobicContact CG1-CE1 3.7Å; I532-F538 HydrophobicContact CG1-CZ 3.88Å
533	E	93.3	Very high	95.5	Very high	26 Å²	26	47.7 Å²	47.7	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-38.6	-177.4	-174.6	158.3	157.8	0	0	111.9	S444 A446 T448 G529 N535	S444-E533 WeakPolarHBondContact CB-O 3.34Å; S444-E533 PolarHBondContact OG-O 3.22Å; A446-E533 WeakPolarHBondContact O-CA 3.49Å; T448-E533 VanDerWaalsContact CB-OE2 3.27Å; T448-E533 WeakPolarHBondContact CB-OE2 3.36Å; T448-E533 PolarHBondContact N-OE2 2.9Å; T448-E533 PolarHBondContact OG1-OE2 2.72Å; G529-E533 VanDerWaalsContact O-CB 3.24Å; G529-E533 WeakPolarHBondContact O-CB 3.38Å; G529-E533 PolarHBondContact O-N 2.94Å; E533-N535 VanDerWaalsContact C-N 3.35Å
534	Y	93.4	Very high	95.6	Very high	58 Å²	58	53 Å²	53	23%	0.227	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	5.6	175.8	-78.2	-99.3	0	0	0	114.2	I530 I532 V536 L939 K942 V943 L946	I530-Y534 HydrophobicContact CG2-CD2 4.49Å; I530-Y534 WeakPolarHBondContact O-CB 3.41Å; I530-Y534 WeakPolarHBondContact O-CD2 3.41Å; I530-Y534 PolarHBondContact O-N 3.39Å; I532-Y534 VanDerWaalsContact C-N 3.32Å; I532-Y534 PolarHBondContact O-N 3.32Å; Y534-V536 VanDerWaalsContact C-N 3.32Å; Y534-V536 PolarHBondContact O-N 2.92Å; Y534-L939 WeakPolarHBondContact O-CD1 3.24Å; Y534-L939 WeakPolarHBondContact O-CD2 3.46Å; Y534-L939 WeakPolarHBondContact O-CG 3.46Å; Y534-K942 HydrophobicContact CE1-CB 4.01Å; Y534-K942 HydrophobicContact CE1-CG 3.71Å; Y534-V943 VanDerWaalsContact CB-CG2 3.41Å; Y534-V943 HydrophobicContact CD1-CG2 4.13Å; Y534-V943 HydrophobicContact CD2-CG2 4.31Å; Y534-V943 HydrophobicContact CG-CG2 3.68Å; Y534-L946 HydrophobicContact CD2-CD1 4.07Å; Y534-L946 HydrophobicContact CE2-CD1 3.37Å
535	N	93.3	Very high	95.7	Very high	101 Å²	101	48 Å²	48	54%	0.54	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	45.1	179.6	-169.3	33.8	0	0	0	113	M531 I532 E533 K936	M531-N535 PolarHBondContact O-N 3.18Å; I532-N535 PolarHBondContact O-N 2.91Å; I532-N535 VanDerWaalsContact O-N 3.13Å; E533-N535 VanDerWaalsContact C-N 3.35Å; N535-K936 PolarHBondContact O-NZ 2.97Å
536	V	95.7	Very high	95.8	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.067	25%	0.252	C	S	.	.			trans	-77.7	129.8	163.1	177.8	0	0	0	0	107.9	M531 Y534 F538 V628 V635 L939 V943	M531-V536 HydrophobicContact CB-CB 4.1Å; M531-V536 HydrophobicContact CG-CB 4.31Å; M531-V536 HydrophobicContact CG-CG1 4.4Å; M531-V536 PolarHBondContact O-N 3.14Å; M531-V536 HydrophobicContact SD-CG1 4.5Å; Y534-V536 VanDerWaalsContact C-N 3.32Å; Y534-V536 PolarHBondContact O-N 2.92Å; V536-F538 WeakPolarHBondContact O-CD1 3.48Å; V536-F538 PolarHBondContact O-N 2.86Å; V536-V628 HydrophobicContact CG1-CG2 4.01Å; V536-V628 HydrophobicContact CG2-CG2 4.41Å; V536-V635 HydrophobicContact CG1-CB 4.44Å; V536-V635 HydrophobicContact CG1-CG1 4.14Å; V536-V635 HydrophobicContact CG1-CG2 4.37Å; V536-L939 HydrophobicContact CG2-CD2 3.7Å; V536-V943 HydrophobicContact CG2-CG1 4.35Å; V536-V943 HydrophobicContact CG2-CG2 3.89Å
537	D	95.3	Very high	95.8	Very high	45 Å²	45	53 Å²	53	24%	0.241	27%	0.267	C	S	.	.			trans	-87.9	101.5	171.5	171.7	30.7	0	0	0	109.4	S539 R624 V635	D537-S539 VanDerWaalsContact OD1-CB 3.31Å; D537-S539 WeakPolarHBondContact OD1-CB 3.27Å; D537-S539 PolarHBondContact OD1-N 2.81Å; D537-S539 PolarHBondContact OD1-OG 2.79Å; D537-R624 HydrophobicContact CB-CG 4.42Å; D537-R624 PolarHBondContact O-NE 3.29Å; D537-R624 IonicContact OD1-NH2 3.41Å; D537-R624 PolarHBondContact OD1-NH2 2.77Å; D537-R624 IonicContact OD2-CZ 2.74Å; D537-R624 IonicContact OD2-NE 3.03Å; D537-R624 PolarHBondContact OD2-NE 2.86Å; D537-R624 IonicContact OD2-NH2 3.29Å; D537-R624 PolarHBondContact OD2-NH2 3.09Å; D537-V635 VanDerWaalsContact O-CG1 3.29Å; D537-V635 WeakPolarHBondContact O-CG1 3.27Å
538	F	95.4	Very high	95.8	Very high	75 Å²	75	55 Å²	55	33%	0.329	28%	0.28	S	S	.	.			trans	-104.2	16.2	174.4	63.8	-85.5	0	0	0	112.6	E528 M531 I532 V536 V635	E528-F538 HydrophobicContact CG-CE2 4.17Å; E528-F538 HydrophobicContact CG-CZ 3.7Å; M531-F538 HydrophobicContact CB-CD1 3.7Å; M531-F538 HydrophobicContact CB-CE1 3.85Å; M531-F538 HydrophobicContact CE-CB 4.13Å; M531-F538 HydrophobicContact CE-CD1 3.85Å; M531-F538 HydrophobicContact CE-CD2 3.89Å; M531-F538 HydrophobicContact CE-CE1 4.21Å; M531-F538 HydrophobicContact CE-CE2 4.25Å; M531-F538 HydrophobicContact CE-CG 3.68Å; M531-F538 HydrophobicContact CE-CZ 4.4Å; M531-F538 HydrophobicContact CG-CD1 4.41Å; M531-F538 HydrophobicContact SD-CB 3.78Å; M531-F538 HydrophobicContact SD-CD1 3.91Å; M531-F538 HydrophobicContact SD-CG 3.88Å; I532-F538 HydrophobicContact CD1-CZ 4.22Å; I532-F538 HydrophobicContact CG1-CE1 3.7Å; I532-F538 HydrophobicContact CG1-CZ 3.88Å; V536-F538 WeakPolarHBondContact O-CD1 3.48Å; V536-F538 PolarHBondContact O-N 2.86Å; F538-V635 HydrophobicContact CB-CG1 4.05Å; F538-V635 HydrophobicContact CB-CG2 4.06Å
539	S	95.2	Very high	95.8	Very high	64 Å²	64	54.2 Å²	54.2	45%	0.448	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-71.2	158.3	177.8	66.8	0	0	0	0	112.4	D537 R624	D537-S539 VanDerWaalsContact OD1-CB 3.31Å; D537-S539 WeakPolarHBondContact OD1-CB 3.27Å; D537-S539 PolarHBondContact OD1-N 2.81Å; D537-S539 PolarHBondContact OD1-OG 2.79Å; S539-R624 PolarHBondContact O-NH2 3.18Å
540	E	95.9	Very high	95.8	Very high	172 Å²	172	55.6 Å²	55.6	80%	0.804	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-67.7	145.6	171.2	-75.3	-61.9	164.2	0	0	111.6	P542	E540-P542 WeakPolarHBondContact O-CD 3.23Å
541	F	96.9	Very high	95.5	Very high	19 Å²	19	62 Å²	62	8%	0.083	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-65.7	125	-176.3	-70.4	-88	0	0	0	111.2	V545 L546 M620 P636 L638 P639	F541-V545 HydrophobicContact CB-CG1 4.38Å; F541-V545 HydrophobicContact CD1-CG1 3.88Å; F541-L546 HydrophobicContact CB-CD2 3.87Å; F541-L546 HydrophobicContact CB-CG 4.23Å; F541-M620 HydrophobicContact CD1-CG 4.33Å; F541-M620 HydrophobicContact CD1-SD 3.49Å; F541-M620 WeakPolarHBondContact CD1-SD 3.44Å; F541-M620 HydrophobicContact CE1-CG 4.24Å; F541-M620 HydrophobicContact CE1-SD 3.92Å; F541-M620 HydrophobicContact CG-SD 4.46Å; F541-P636 HydrophobicContact CE2-CG 4.18Å; F541-P636 HydrophobicContact CZ-CG 4.43Å; F541-L638 VanDerWaalsContact CZ-O 3.22Å; F541-L638 WeakPolarHBondContact CZ-O 3.19Å; F541-P639 HydrophobicContact CB-CG 4.44Å; F541-P639 HydrophobicContact CD1-CG 3.8Å; F541-P639 HydrophobicContact CD2-CB 4.3Å; F541-P639 HydrophobicContact CD2-CG 4.26Å; F541-P639 HydrophobicContact CE1-CG 4.07Å; F541-P639 HydrophobicContact CG-CB 4.39Å; F541-P639 HydrophobicContact CG-CG 3.9Å; F541-P639 HydrophobicContact CZ-CG 4.42Å
542	P	97.3	Very high	95.2	Very high	50 Å²	50	66.9 Å²	66.9	33%	0.325	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-59.4	153.3	178.7	-26.6	35.8	0	0	0	113.2	E540 E544 V545 L546 M620	E540-P542 WeakPolarHBondContact O-CD 3.23Å; P542-E544 HydrophobicContact CB-CG 3.97Å; P542-E544 PolarHBondContact O-N 3.03Å; P542-E544 VanDerWaalsContact O-N 3.16Å; P542-V545 WeakPolarHBondContact O-CA 3.25Å; P542-V545 WeakPolarHBondContact O-CB 3.41Å; P542-V545 PolarHBondContact O-N 3.44Å; P542-L546 PolarHBondContact O-N 2.88Å; P542-L546 VanDerWaalsContact O-N 3.07Å; P542-M620 HydrophobicContact CG-CE 3.9Å
543	Q	97.1	Very high	95	Very high	120 Å²	120	70.5 Å²	70.5	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-56.9	-35.9	-178.2	-172.1	60.3	45.6	0	0	112.9	V545 L546 D547	Q543-V545 PolarHBondContact O-N 3.42Å; Q543-L546 CarbonylContact O-C 3.59Å; Q543-L546 PolarHBondContact O-N 2.72Å; Q543-L546 VanDerWaalsContact O-N 3.16Å; Q543-D547 PolarHBondContact NE2-OD1 3.24Å; Q543-D547 WeakPolarHBondContact O-CB 3.29Å; Q543-D547 VanDerWaalsContact O-CG 3.25Å; Q543-D547 PolarHBondContact O-N 3.27Å
544	E	97.3	Very high	94.8	Very high	128 Å²	128	74.9 Å²	74.9	60%	0.598	39%	0.393	S	S	*	.	H	α-helix	trans	-62.1	-26.3	174.7	55.7	176.1	-140.4	0	0	114	P542 C548 P616	P542-E544 HydrophobicContact CB-CG 3.97Å; P542-E544 PolarHBondContact O-N 3.03Å; P542-E544 VanDerWaalsContact O-N 3.16Å; E544-C548 PolarHBondContact O-SG 3.32Å; E544-P616 HydrophobicContact CB-CB 4.38Å; E544-P616 HydrophobicContact CB-CG 4.47Å; E544-P616 HydrophobicContact CG-CB 4.36Å
545	V	97.5	Very high	94.9	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.006	39%	0.39	C	S	.	.	H	α-helix	trans	-82	-41.2	173.1	175.1	0	0	0	0	110.6	F541 P542 Q543 D547 C548 P616 L617 M620 P639	F541-V545 HydrophobicContact CB-CG1 4.38Å; F541-V545 HydrophobicContact CD1-CG1 3.88Å; P542-V545 WeakPolarHBondContact O-CA 3.25Å; P542-V545 WeakPolarHBondContact O-CB 3.41Å; P542-V545 PolarHBondContact O-N 3.44Å; Q543-V545 PolarHBondContact O-N 3.42Å; V545-D547 VanDerWaalsContact C-N 3.33Å; V545-D547 PolarHBondContact O-N 2.82Å; V545-C548 WeakPolarHBondContact O-CB 3.5Å; V545-C548 PolarHBondContact O-N 3.32Å; V545-P616 HydrophobicContact CG2-CB 4.07Å; V545-L617 HydrophobicContact CG1-CB 4.07Å; V545-L617 HydrophobicContact CG1-CD1 3.66Å; V545-L617 HydrophobicContact CG1-CG 4.47Å; V545-M620 HydrophobicContact CG1-SD 4.5Å; V545-M620 HydrophobicContact CG2-CB 4.13Å; V545-M620 HydrophobicContact CG2-CE 4.39Å; V545-M620 HydrophobicContact CG2-SD 4.01Å; V545-P639 HydrophobicContact CG1-CG 4.13Å
546	L	97.1	Very high	94.9	Very high	64 Å²	64	74.5 Å²	74.5	34%	0.335	40%	0.397	S	S	.	.	H	α-helix	trans	-66.6	-33.2	176.1	-61.1	179.1	0	0	0	112.4	F541 P542 Q543 C548 L549 P639	F541-L546 HydrophobicContact CB-CD2 3.87Å; F541-L546 HydrophobicContact CB-CG 4.23Å; P542-L546 PolarHBondContact O-N 2.88Å; P542-L546 VanDerWaalsContact O-N 3.07Å; Q543-L546 CarbonylContact O-C 3.59Å; Q543-L546 PolarHBondContact O-N 2.72Å; Q543-L546 VanDerWaalsContact O-N 3.16Å; L546-C548 PolarHBondContact O-N 3.17Å; L546-L549 HydrophobicContact CB-CD1 4.47Å; L546-L549 HydrophobicContact CD2-CD1 3.82Å; L546-L549 VanDerWaalsContact O-CB 3.24Å; L546-L549 WeakPolarHBondContact O-CB 3.24Å; L546-L549 WeakPolarHBondContact O-CG 3.3Å; L546-L549 PolarHBondContact O-N 3.18Å; L546-P639 HydrophobicContact CD2-CB 4.25Å; L546-P639 HydrophobicContact CD2-CG 4.34Å
547	D	96.5	Very high	95	Very high	79 Å²	79	75 Å²	75	42%	0.422	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14	176.7	-79.2	-23.5	0	0	0	113.7	Q543 V545 L549 K551	Q543-D547 PolarHBondContact NE2-OD1 3.24Å; Q543-D547 WeakPolarHBondContact O-CB 3.29Å; Q543-D547 VanDerWaalsContact O-CG 3.25Å; Q543-D547 PolarHBondContact O-N 3.27Å; V545-D547 VanDerWaalsContact C-N 3.33Å; V545-D547 PolarHBondContact O-N 2.82Å; D547-L549 VanDerWaalsContact C-N 3.33Å; D547-K551 WeakPolarHBondContact O-CE 3.47Å; D547-K551 PolarHBondContact O-NZ 3.47Å; D547-K551 IonicContact OD1-NZ 2.81Å
548	C	97.1	Very high	95	Very high	45 Å²	45	74.2 Å²	74.2	30%	0.304	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.4	171.5	-60.9	0	0	0	0	113.2	E544 V545 L546 L617	E544-C548 PolarHBondContact O-SG 3.32Å; V545-C548 WeakPolarHBondContact O-CB 3.5Å; V545-C548 PolarHBondContact O-N 3.32Å; L546-C548 PolarHBondContact O-N 3.17Å; C548-L617 HydrophobicContact CB-CB 3.83Å; C548-L617 HydrophobicContact CB-CD2 4.16Å
549	L	96.1	Very high	95	Very high	19 Å²	19	75 Å²	75	10%	0.099	41%	0.408	C	S	.	.	S	Bend	trans	-79.9	158.2	-177.5	-58.4	174.4	0	0	0	111.9	L546 D547 K551 L617 P639 L641 L642	L546-L549 HydrophobicContact CB-CD1 4.47Å; L546-L549 HydrophobicContact CD2-CD1 3.82Å; L546-L549 VanDerWaalsContact O-CB 3.24Å; L546-L549 WeakPolarHBondContact O-CB 3.24Å; L546-L549 WeakPolarHBondContact O-CG 3.3Å; L546-L549 PolarHBondContact O-N 3.18Å; D547-L549 VanDerWaalsContact C-N 3.33Å; L549-K551 WeakPolarHBondContact O-CG 3.49Å; L549-K551 PolarHBondContact O-N 3.33Å; L549-L617 HydrophobicContact CD2-CD2 4.2Å; L549-P639 HydrophobicContact CD1-CB 3.91Å; L549-P639 HydrophobicContact CD1-CG 4.2Å; L549-P639 HydrophobicContact CD2-CB 4.38Å; L549-P639 HydrophobicContact CD2-CG 4.22Å; L549-L641 HydrophobicContact CB-CD2 4.43Å; L549-L641 HydrophobicContact CD1-CD2 4.2Å; L549-L642 HydrophobicContact CD2-CD1 3.71Å; L549-L642 HydrophobicContact CD2-CD2 4Å; L549-L642 HydrophobicContact CD2-CG 3.66Å
550	P	94	Very high	95	Very high	30 Å²	30	76.7 Å²	76.7	20%	0.195	41%	0.409	C	S	.	.			trans	-58.3	121.1	173.9	-24.5	35.7	0	0	0	111.8	W555 F610 L646	P550-W555 HydrophobicContact CB-CG 4.13Å; P550-F610 HydrophobicContact CG-CD1 4.02Å; P550-F610 HydrophobicContact CG-CE1 4.16Å; P550-L646 HydrophobicContact CB-CD1 4.39Å; P550-L646 HydrophobicContact CG-CD1 3.85Å
551	K	89.9	Confident	94.9	Very high	158 Å²	158	69.9 Å²	69.9	69%	0.687	38%	0.378	S	S	*	.	S	Bend	trans	-84.3	-16.8	-171.9	-53	-162.3	-178.4	-154.1	0	114.2	D547 L549	D547-K551 WeakPolarHBondContact O-CE 3.47Å; D547-K551 PolarHBondContact O-NZ 3.47Å; D547-K551 IonicContact OD1-NZ 2.81Å; L549-K551 WeakPolarHBondContact O-CG 3.49Å; L549-K551 PolarHBondContact O-N 3.33Å
552	T	90.1	Very high	94.8	Very high	113 Å²	113	70.9 Å²	70.9	69%	0.693	38%	0.383	S	S	*	.	S	Bend	trans	-93	115.1	174.2	-51.9	0	0	0	0	108.7
553	L	90.3	Very high	94.7	Very high	103 Å²	103	76.6 Å²	76.6	54%	0.539	41%	0.406	S	S	.	.	S	Bend	trans	-124.4	138.5	178	-63.3	177.6	0	0	0	110.2	W555 L641	L553-W555 HydrophobicContact CD2-CB 4.25Å; L553-L641 HydrophobicContact CD1-CD2 4.19Å; L553-L641 HydrophobicContact CD2-CD1 4.29Å; L553-L641 HydrophobicContact CD2-CD2 4.23Å
554	P	90.5	Very high	94.7	Very high	117 Å²	117	77 Å²	77	76%	0.76	41%	0.406	S	S	*	.	S	Bend	cis	-62.8	141.3	-4.8	28.9	-35.8	0	0	0	111.7
555	W	94.3	Very high	94.7	Very high	42 Å²	42	71.8 Å²	71.8	16%	0.159	38%	0.38	C	S	.	.			trans	-83.1	133.3	179.8	178.6	81.9	0	0	0	110.2	P550 L553 I557 Y609 F610 L646 L656	P550-W555 HydrophobicContact CB-CG 4.13Å; L553-W555 HydrophobicContact CD2-CB 4.25Å; W555-I557 HydrophobicContact CH2-CB 4.32Å; W555-I557 HydrophobicContact CH2-CG1 3.75Å; W555-I557 HydrophobicContact CZ3-CG1 3.82Å; W555-Y609 HydrophobicContact CH2-CE1 4.43Å; W555-Y609 AromaticContact CZ2-CE1 3.88Å; W555-Y609 HydrophobicContact CZ2-CE1 3.88Å; W555-F610 HydrophobicContact CD2-CE1 4.36Å; W555-F610 HydrophobicContact CE3-CE1 4.47Å; W555-F610 HydrophobicContact CE3-CZ 4.34Å; W555-F610 HydrophobicContact CH2-CE1 4.02Å; W555-F610 AromaticContact CH2-CZ 3.64Å; W555-F610 HydrophobicContact CH2-CZ 3.64Å; W555-F610 AromaticContact CZ2-CE1 3.9Å; W555-F610 HydrophobicContact CZ2-CE1 3.9Å; W555-F610 HydrophobicContact CZ2-CZ 4.01Å; W555-F610 HydrophobicContact CZ3-CE1 4.31Å; W555-F610 AromaticContact CZ3-CZ 3.83Å; W555-F610 HydrophobicContact CZ3-CZ 3.83Å; W555-L646 HydrophobicContact CB-CD1 4.14Å; W555-L646 HydrophobicContact CB-CD2 3.83Å; W555-L646 HydrophobicContact CE3-CD2 4.15Å; W555-L646 HydrophobicContact CG-CD1 4.34Å; W555-L646 HydrophobicContact CG-CD2 4.46Å; W555-L656 HydrophobicContact CH2-CD1 3.83Å; W555-L656 HydrophobicContact CH2-CG 4.19Å; W555-L656 HydrophobicContact CZ2-CD1 4.43Å
556	T	94.3	Very high	94.7	Very high	110 Å²	110	75.8 Å²	75.8	68%	0.675	40%	0.395	S	S	*	.			trans	-119.9	149.4	175	55.6	0	0	0	0	110	P558	T556-P558 WeakPolarHBondContact O-CD 3.42Å
557	I	96.3	Very high	94.7	Very high	20 Å²	20	76.4 Å²	76.4	10%	0.103	40%	0.399	C	S	.	.			trans	-62.9	126.4	176.2	-55	176.9	0	0	0	109.3	W555 E561 I562 D654 L656 V679	W555-I557 HydrophobicContact CH2-CB 4.32Å; W555-I557 HydrophobicContact CH2-CG1 3.75Å; W555-I557 HydrophobicContact CZ3-CG1 3.82Å; I557-E561 HydrophobicContact CG2-CB 4.11Å; I557-I562 HydrophobicContact CB-CG1 4.45Å; I557-I562 HydrophobicContact CG2-CD1 4.38Å; I557-I562 HydrophobicContact CG2-CG1 3.74Å; I557-D654 HydrophobicContact CD1-CB 3.76Å; I557-L656 HydrophobicContact CD1-CD2 3.88Å; I557-L656 HydrophobicContact CD1-CG 4.17Å; I557-L656 HydrophobicContact CG1-CD2 4.26Å; I557-L656 HydrophobicContact CG1-CG 4.29Å; I557-L656 HydrophobicContact CG2-CD2 3.77Å; I557-L656 HydrophobicContact CG2-CG 4.43Å; I557-V679 HydrophobicContact CD1-CG1 3.57Å
558	P	95.5	Very high	94.8	Very high	29 Å²	29	73 Å²	73	19%	0.188	38%	0.381	C	S	.	.			trans	-62.6	136.6	174.6	-21.8	33.6	0	0	0	111.1	T556 E560 E561 I562	T556-P558 WeakPolarHBondContact O-CD 3.42Å; P558-E560 HydrophobicContact CB-CG 4.47Å; P558-E560 VanDerWaalsContact CB-OE1 3.3Å; P558-E560 WeakPolarHBondContact CB-OE1 3.47Å; P558-E560 WeakPolarHBondContact CB-OE2 3.49Å; P558-E560 PolarHBondContact O-N 3.15Å; P558-E560 VanDerWaalsContact O-N 3.17Å; P558-E561 WeakPolarHBondContact O-CB 3.05Å; P558-E561 PolarHBondContact O-N 2.92Å; P558-I562 PolarHBondContact O-N 2.74Å
559	P	95.6	Very high	94.9	Very high	91 Å²	91	74.3 Å²	74.3	59%	0.591	38%	0.379	S	S	*	.	H	α-helix	trans	-53.6	-38.3	-179	-27.2	35.3	0	0	0	113.2	E561 I562 E563	P559-E561 PolarHBondContact O-N 3.12Å; P559-I562 WeakPolarHBondContact O-CB 3.08Å; P559-I562 PolarHBondContact O-N 2.81Å; P559-E563 PolarHBondContact O-N 2.89Å; P559-E563 VanDerWaalsContact O-N 3.11Å
560	E	95.6	Very high	94.9	Very high	101 Å²	101	80.9 Å²	80.9	47%	0.472	41%	0.407	S	S	.	.	H	α-helix	trans	-68.8	-14.4	178.2	75.3	-79.8	-169.5	0	0	113.5	P558 K564	P558-E560 HydrophobicContact CB-CG 4.47Å; P558-E560 VanDerWaalsContact CB-OE1 3.3Å; P558-E560 WeakPolarHBondContact CB-OE1 3.47Å; P558-E560 WeakPolarHBondContact CB-OE2 3.49Å; P558-E560 PolarHBondContact O-N 3.15Å; P558-E560 VanDerWaalsContact O-N 3.17Å; E560-K564 WeakPolarHBondContact O-CE 3.34Å; E560-K564 VanDerWaalsContact O-CG 3.27Å; E560-K564 WeakPolarHBondContact O-CG 3.27Å; E560-K564 PolarHBondContact O-NZ 3.45Å
561	E	94.4	Very high	95.1	Very high	29 Å²	29	82 Å²	82	14%	0.136	41%	0.41	C	S	.	.	H	α-helix	trans	-84.3	-29.8	166.8	-82.5	-64.5	114.7	0	0	112.4	I557 P558 P559 K564 R565 Y609	I557-E561 HydrophobicContact CG2-CB 4.11Å; P558-E561 WeakPolarHBondContact O-CB 3.05Å; P558-E561 PolarHBondContact O-N 2.92Å; P559-E561 PolarHBondContact O-N 3.12Å; E561-K564 PolarHBondContact O-N 3.5Å; E561-K564 IonicContact OE1-NZ 2.72Å; E561-K564 PolarHBondContact OE1-NZ 3.4Å; E561-R565 WeakPolarHBondContact O-CD 2.99Å; E561-R565 WeakPolarHBondContact O-CG 3.11Å; E561-R565 IonicContact OE2-CZ 3.08Å; E561-R565 IonicContact OE2-NE 3.01Å; E561-R565 PolarHBondContact OE2-NE 2.72Å; E561-R565 IonicContact OE2-NH2 3.77Å; E561-R565 PolarHBondContact OE2-NH2 3.04Å; E561-Y609 HydrophobicContact CG-CE2 3.68Å; E561-Y609 WeakPolarHBondContact OE2-CE2 3.05Å
562	I	95.2	Very high	95.5	Very high	39 Å²	39	75 Å²	75	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-65.5	-46.1	174.5	-52.1	-180	0	0	0	109.3	I557 P558 P559 K564 R565 V679	I557-I562 HydrophobicContact CB-CG1 4.45Å; I557-I562 HydrophobicContact CG2-CD1 4.38Å; I557-I562 HydrophobicContact CG2-CG1 3.74Å; P558-I562 PolarHBondContact O-N 2.74Å; P559-I562 WeakPolarHBondContact O-CB 3.08Å; P559-I562 PolarHBondContact O-N 2.81Å; I562-K564 PolarHBondContact O-N 2.88Å; I562-R565 PolarHBondContact O-N 3.21Å; I562-R565 VanDerWaalsContact O-N 3.12Å; I562-V679 HydrophobicContact CG1-CG2 4.45Å; I562-V679 HydrophobicContact CG2-CG2 4.45Å
563	E	95.1	Very high	95.9	Very high	170 Å²	170	69.7 Å²	69.7	79%	0.794	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.9	178.4	-68.2	-179.7	167.9	0	0	114.4	P559	P559-E563 PolarHBondContact O-N 2.89Å; P559-E563 VanDerWaalsContact O-N 3.11Å
564	K	95.4	Very high	96.3	Very high	129 Å²	129	64.8 Å²	64.8	56%	0.561	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.6	-179.7	-66.6	-179.6	-151.6	103	0	114	E560 E561 I562	E560-K564 WeakPolarHBondContact O-CE 3.34Å; E560-K564 VanDerWaalsContact O-CG 3.27Å; E560-K564 WeakPolarHBondContact O-CG 3.27Å; E560-K564 PolarHBondContact O-NZ 3.45Å; E561-K564 PolarHBondContact O-N 3.5Å; E561-K564 IonicContact OE1-NZ 2.72Å; E561-K564 PolarHBondContact OE1-NZ 3.4Å; I562-K564 PolarHBondContact O-N 2.88Å
565	R	97.4	Very high	96.7	Very high	18 Å²	18	59.2 Å²	59.2	7%	0.068	29%	0.286	C	S	.	.	S	Bend	trans	-121.6	154.9	-165	-72	176.4	-178.3	-105.9	-0.6	111.2	E561 I562 D567 D606 R677 S678 V679	E561-R565 WeakPolarHBondContact O-CD 2.99Å; E561-R565 WeakPolarHBondContact O-CG 3.11Å; E561-R565 IonicContact OE2-CZ 3.08Å; E561-R565 IonicContact OE2-NE 3.01Å; E561-R565 PolarHBondContact OE2-NE 2.72Å; E561-R565 IonicContact OE2-NH2 3.77Å; E561-R565 PolarHBondContact OE2-NH2 3.04Å; I562-R565 PolarHBondContact O-N 3.21Å; I562-R565 VanDerWaalsContact O-N 3.12Å; R565-D567 PolarHBondContact O-N 3.16Å; R565-D567 VanDerWaalsContact O-N 3.15Å; R565-D606 IonicContact CZ-OD2 3.63Å; R565-D606 VanDerWaalsContact CZ-OD2 3.29Å; R565-D606 IonicContact NH1-OD2 2.69Å; R565-D606 PolarHBondContact NH1-OD2 3.44Å; R565-D606 IonicContact NH2-OD2 2.67Å; R565-D606 PolarHBondContact NH2-OD2 3.33Å; R565-R677 HydrophobicContact CG-CB 4.03Å; R565-S678 PolarHBondContact NH1-O 3.05Å; R565-V679 HydrophobicContact CB-CG2 3.94Å; R565-V679 HydrophobicContact CG-CG2 4.46Å
566	R	97.9	Very high	96.9	Very high	85 Å²	85	57.3 Å²	57.3	32%	0.321	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	110.6	166.4	-174.1	174.5	172.6	-176.4	-10.1	107.3	L568 E599 W674 R677 S678 V679	R566-L568 HydrophobicContact CG-CD2 3.81Å; R566-L568 HydrophobicContact CG-CG 4.16Å; R566-L568 PolarHBondContact O-N 3.42Å; R566-E599 IonicContact CZ-OE2 2.79Å; R566-E599 IonicContact NH1-OE2 3.01Å; R566-E599 IonicContact NH2-OE2 3.72Å; R566-E599 PolarHBondContact NH2-OE2 3.43Å; R566-W674 HydrophobicContact CB-CH2 3.69Å; R566-W674 HydrophobicContact CB-CZ2 4.04Å; R566-W674 HydrophobicContact CG-CH2 4.39Å; R566-R677 PolarHBondContact N-O 3.09Å; R566-S678 WeakPolarHBondContact O-CA 3.16Å; R566-S678 VanDerWaalsContact O-CB 3.23Å; R566-S678 WeakPolarHBondContact O-CB 3.41Å; R566-V679 PolarHBondContact O-N 3.07Å; R566-V679 VanDerWaalsContact O-N 3.08Å
567	D	98.3	Very high	96.9	Very high	77 Å²	77	52.5 Å²	52.5	41%	0.412	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123.4	171.1	-165	-8.3	0	0	0	108.9	R565 R569	R565-D567 PolarHBondContact O-N 3.16Å; R565-D567 VanDerWaalsContact O-N 3.15Å; D567-R569 WeakPolarHBondContact OD1-CB 3.46Å; D567-R569 VanDerWaalsContact OD1-CG 3.26Å; D567-R569 WeakPolarHBondContact OD1-CG 3.39Å; D567-R569 IonicContact OD1-CZ 3.68Å; D567-R569 PolarHBondContact OD1-N 3.35Å; D567-R569 IonicContact OD1-NE 2.77Å; D567-R569 PolarHBondContact OD1-NE 3.12Å; D567-R569 IonicContact OD1-NH2 3.55Å; D567-R569 IonicContact OD2-CZ 2.93Å; D567-R569 IonicContact OD2-NE 3.32Å; D567-R569 PolarHBondContact OD2-NE 3.42Å; D567-R569 IonicContact OD2-NH2 3.95Å; D567-R569 PolarHBondContact OD2-NH2 2.83Å
568	L	98.4	Very high	96.7	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	25%	0.246	C	C	.	.			trans	-125.8	10.8	180	-60.5	175	0	0	0	111.1	R566 K570 E571 I573 I661 V679	R566-L568 HydrophobicContact CG-CD2 3.81Å; R566-L568 HydrophobicContact CG-CG 4.16Å; R566-L568 PolarHBondContact O-N 3.42Å; L568-K570 PolarHBondContact O-N 3.43Å; L568-E571 HydrophobicContact CD2-CG 4.38Å; L568-E571 PolarHBondContact O-N 3.38Å; L568-I573 HydrophobicContact CB-CD1 3.87Å; L568-I661 HydrophobicContact CD1-CD1 4.09Å; L568-I661 HydrophobicContact CD2-CD1 4.42Å; L568-V679 WeakPolarHBondContact CA-O 3.18Å; L568-V679 WeakPolarHBondContact CB-O 3.43Å; L568-V679 PolarHBondContact N-O 3.04Å
569	R	97.8	Very high	96.4	Very high	73 Å²	73	54 Å²	54	28%	0.275	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-7.5	-173.7	-67	177.2	-68.7	166.2	6.1	115.3	D567 D654 V679 H681	D567-R569 WeakPolarHBondContact OD1-CB 3.46Å; D567-R569 VanDerWaalsContact OD1-CG 3.26Å; D567-R569 WeakPolarHBondContact OD1-CG 3.39Å; D567-R569 IonicContact OD1-CZ 3.68Å; D567-R569 PolarHBondContact OD1-N 3.35Å; D567-R569 IonicContact OD1-NE 2.77Å; D567-R569 PolarHBondContact OD1-NE 3.12Å; D567-R569 IonicContact OD1-NH2 3.55Å; D567-R569 IonicContact OD2-CZ 2.93Å; D567-R569 IonicContact OD2-NE 3.32Å; D567-R569 PolarHBondContact OD2-NE 3.42Å; D567-R569 IonicContact OD2-NH2 3.95Å; D567-R569 PolarHBondContact OD2-NH2 2.83Å; R569-D654 WeakPolarHBondContact CD-OD1 3.38Å; R569-D654 WeakPolarHBondContact CD-OD2 3.2Å; R569-D654 IonicContact CZ-OD2 2.65Å; R569-D654 IonicContact NE-OD2 3.87Å; R569-D654 IonicContact NH1-OD2 2.66Å; R569-D654 PolarHBondContact NH1-OD2 3.4Å; R569-V679 HydrophobicContact CG-CB 4.46Å; R569-V679 HydrophobicContact CG-CG1 4Å; R569-H681 HydrophobicContact CB-CB 3.9Å; R569-H681 HydrophobicContact CG-CB 4.05Å
570	K	97.2	Very high	96	Very high	158 Å²	158	52.2 Å²	52.2	69%	0.687	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	7.4	177.6	-57.6	-166.5	172.4	-136.9	0	113.7	L568	L568-K570 PolarHBondContact O-N 3.43Å
571	E	97.9	Very high	95.7	Very high	54 Å²	54	47.9 Å²	47.9	25%	0.252	24%	0.235	S	C	.	.	S	Bend	trans	-99.4	138.3	175.7	-64.3	-67.1	173.4	0	0	108.3	L568 I573 K591	L568-E571 HydrophobicContact CD2-CG 4.38Å; L568-E571 PolarHBondContact O-N 3.38Å; E571-I573 HydrophobicContact CB-CD1 4.3Å; E571-I573 HydrophobicContact CB-CG1 4.38Å; E571-I573 WeakPolarHBondContact O-CG1 3.21Å; E571-I573 PolarHBondContact O-N 3.06Å; E571-K591 IonicContact OE1-NZ 3.86Å; E571-K591 PolarHBondContact OE1-NZ 3.31Å; E571-K591 WeakPolarHBondContact OE2-CD 3.17Å; E571-K591 IonicContact OE2-NZ 2.67Å; E571-K591 PolarHBondContact OE2-NZ 3.22Å
572	C	98.3	Very high	95.4	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.074	25%	0.254	C	S	.	.			trans	-64.5	93	179.9	177.3	0	0	0	0	110.9	S589 H714 E718	C572-S589 VanDerWaalsContact O-CB 3.27Å; C572-S589 WeakPolarHBondContact O-CB 3.15Å; C572-H714 PolarHBondContact N-CE1 2.96Å; C572-E718 HydrophobicContact CB-CG 4.03Å; C572-E718 WeakPolarHBondContact CB-OE1 3.4Å
573	I	98.8	Very high	95.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.7	-179.7	-64.6	163.5	0	0	0	109.2	L568 E571 A587 L588 M680 S682 C683	L568-I573 HydrophobicContact CB-CD1 3.87Å; E571-I573 HydrophobicContact CB-CD1 4.3Å; E571-I573 HydrophobicContact CB-CG1 4.38Å; E571-I573 WeakPolarHBondContact O-CG1 3.21Å; E571-I573 PolarHBondContact O-N 3.06Å; I573-A587 HydrophobicContact CG2-CB 3.66Å; I573-L588 WeakPolarHBondContact CA-O 3.2Å; I573-M680 HydrophobicContact CD1-CB 3.71Å; I573-M680 HydrophobicContact CG2-CE 3.49Å; I573-M680 VanDerWaalsContact CG2-CE 3.49Å; I573-M680 HydrophobicContact CG2-SD 3.92Å; I573-S682 CarbonylContact O-C 3.53Å; I573-S682 WeakPolarHBondContact O-CA 3.48Å; I573-C683 PolarHBondContact O-N 2.97Å; I573-C683 PolarHBondContact O-SG 2.8Å
574	F	98.6	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	161.2	179.8	47.8	-97.9	0	0	0	111.8	I576 A587 L588 V684 L686 I719 A722 V723 L726	F574-I576 HydrophobicContact CD2-CD1 4.39Å; F574-I576 HydrophobicContact CD2-CG1 4.1Å; F574-I576 HydrophobicContact CE2-CD1 4.07Å; F574-I576 HydrophobicContact CE2-CG1 4.29Å; F574-A587 CarbonylContact O-C 3.6Å; F574-A587 WeakPolarHBondContact O-CA 3.48Å; F574-L588 HydrophobicContact CE2-CB 4.35Å; F574-L588 PolarHBondContact N-O 2.88Å; F574-L588 PolarHBondContact O-N 3.1Å; F574-V684 WeakPolarHBondContact CA-O 3.27Å; F574-V684 HydrophobicContact CB-CG1 3.64Å; F574-V684 WeakPolarHBondContact CB-O 3.2Å; F574-V684 HydrophobicContact CG-CG1 4.46Å; F574-L686 HydrophobicContact CD2-CD1 4.18Å; F574-I719 HydrophobicContact CD1-CG2 4.11Å; F574-I719 HydrophobicContact CE1-CG2 4.3Å; F574-A722 HydrophobicContact CE1-CB 3.66Å; F574-A722 HydrophobicContact CZ-CB 3.84Å; F574-V723 HydrophobicContact CE2-CG2 3.75Å; F574-V723 HydrophobicContact CZ-CG2 3.76Å; F574-L726 HydrophobicContact CE2-CD1 3.94Å; F574-L726 HydrophobicContact CZ-CD1 3.75Å
575	T	98.5	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	157.2	172.6	81	0	0	0	0	110.9	D577 L584 A587 L649 V684 K685 L686	T575-D577 WeakPolarHBondContact CB-OD2 3.36Å; T575-D577 PolarHBondContact OG1-OD2 3.48Å; T575-L584 HydrophobicContact CG2-CB 4.43Å; T575-L584 HydrophobicContact CG2-CD1 4.25Å; T575-A587 HydrophobicContact CG2-CB 3.99Å; T575-L649 HydrophobicContact CG2-CB 4.06Å; T575-L649 WeakPolarHBondContact CG2-O 3.34Å; T575-V684 PolarHBondContact N-O 3.34Å; T575-K685 WeakPolarHBondContact OG1-CG 3.43Å; T575-L686 WeakPolarHBondContact O-CB 3.27Å; T575-L686 PolarHBondContact O-N 3.38Å
576	I	98	Very high	95.6	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	101.5	174.2	-52.2	178.5	0	0	0	109.4	F574 L588 L686 Y688 A691 L775 V776	F574-I576 HydrophobicContact CD2-CD1 4.39Å; F574-I576 HydrophobicContact CD2-CG1 4.1Å; F574-I576 HydrophobicContact CE2-CD1 4.07Å; F574-I576 HydrophobicContact CE2-CG1 4.29Å; I576-L588 HydrophobicContact CD1-CD1 4.5Å; I576-L686 HydrophobicContact CG1-CB 4.28Å; I576-L686 HydrophobicContact CG1-CD1 4.31Å; I576-Y688 HydrophobicContact CG2-CD1 3.61Å; I576-Y688 HydrophobicContact CG2-CE1 3.78Å; I576-Y688 WeakPolarHBondContact O-CE1 3.45Å; I576-Y688 PolarHBondContact O-OH 2.92Å; I576-A691 HydrophobicContact CD1-CB 4.05Å; I576-A691 HydrophobicContact CG1-CB 4.42Å; I576-A691 HydrophobicContact CG2-CB 3.58Å; I576-L775 HydrophobicContact CD1-CD1 4.37Å; I576-L775 HydrophobicContact CD1-CD2 4.16Å; I576-V776 HydrophobicContact CB-CG2 4.04Å; I576-V776 HydrophobicContact CG2-CG2 4.38Å
577	D	95.3	Very high	95.6	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	173.3	-167.4	-58.2	-93.7	0	0	0	113.3	T575 A581 L584 L686 S687 Y688	T575-D577 WeakPolarHBondContact CB-OD2 3.36Å; T575-D577 PolarHBondContact OG1-OD2 3.48Å; D577-A581 HydrophobicContact CB-CB 3.79Å; D577-L584 HydrophobicContact CB-CD2 4.27Å; D577-L686 PolarHBondContact N-O 3.09Å; D577-L686 VanDerWaalsContact N-O 3.12Å; D577-S687 CarbonylContact O-C 3.54Å; D577-S687 WeakPolarHBondContact O-CA 3.41Å; D577-Y688 PolarHBondContact O-N 2.83Å
578	P	91.3	Very high	95.6	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.026	15%	0.151	C	C	.	.			trans	-54.6	139.7	153.4	-24.1	35.4	0	0	0	111.1	D148 T580 A581 K685 Y688	D148-P578 WeakPolarHBondContact OD2-CG 3.4Å; P578-T580 PolarHBondContact O-N 3.45Å; P578-T580 VanDerWaalsContact O-N 3.12Å; P578-A581 HydrophobicContact CB-CB 4.33Å; P578-A581 VanDerWaalsContact O-CB 3.23Å; P578-A581 WeakPolarHBondContact O-CB 3.29Å; P578-A581 PolarHBondContact O-N 2.86Å; P578-K685 PolarHBondContact O-NZ 2.91Å; P578-Y688 HydrophobicContact CG-CD2 4.3Å; P578-Y688 HydrophobicContact CG-CE2 3.88Å
579	A	89.1	Confident	95.6	Very high	76 Å²	76	30.9 Å²	30.9	63%	0.628	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.2	-179.9	0	0	0	0	0	112.4	K685	A579-K685 PolarHBondContact O-NZ 2.89Å; A579-K685 VanDerWaalsContact O-NZ 3.15Å
580	T	87.6	Confident	95.7	Very high	53 Å²	53	28 Å²	28	33%	0.325	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.6	175.3	37.5	0	0	0	0	116.1	D142 T144 P578	D142-T580 VanDerWaalsContact O-CG2 3.31Å; D142-T580 WeakPolarHBondContact O-CG2 3.35Å; T144-T580 PolarHBondContact O-OG1 2.8Å; P578-T580 PolarHBondContact O-N 3.45Å; P578-T580 VanDerWaalsContact O-N 3.12Å
581	A	89.6	Confident	95.7	Very high	10 Å²	10	25 Å²	25	8%	0.083	13%	0.134	C	C	.	.			trans	-63	145.5	-175.4	0	0	0	0	0	112	D577 P578 L584 K685	D577-A581 HydrophobicContact CB-CB 3.79Å; P578-A581 HydrophobicContact CB-CB 4.33Å; P578-A581 VanDerWaalsContact O-CB 3.23Å; P578-A581 WeakPolarHBondContact O-CB 3.29Å; P578-A581 PolarHBondContact O-N 2.86Å; A581-L584 HydrophobicContact CB-CD2 3.82Å; A581-K685 PolarHBondContact O-NZ 2.94Å
582	R	88.6	Confident	95.7	Very high	142 Å²	142	27.9 Å²	27.9	54%	0.536	15%	0.147	S	C	.	.			trans	-129.8	-26.7	179.6	-52.5	-172.6	175.2	-151.3	-7.7	112.8	E644 S648	R582-E644 HydrophobicContact CB-CB 4.46Å; R582-E644 HydrophobicContact CB-CG 3.81Å; R582-E644 WeakPolarHBondContact CD-OE2 3.46Å; R582-E644 IonicContact CZ-OE2 2.8Å; R582-E644 IonicContact NE-OE2 3.76Å; R582-E644 IonicContact NH1-OE2 2.64Å; R582-E644 PolarHBondContact NH1-OE2 3.08Å; R582-S648 PolarHBondContact O-OG 2.76Å
583	D	92.1	Very high	95.6	Very high	18 Å²	18	29.3 Å²	29.3	10%	0.096	15%	0.154	C	C	.	.			trans	-96.2	72.2	178.7	49.3	-23.5	0	0	0	109.7	S146 D585 Y629 C643 I897	S146-D583 PolarHBondContact OG-OD1 3.46Å; D583-D585 PolarHBondContact O-N 2.94Å; D583-Y629 PolarHBondContact OD2-OH 3.37Å; D583-C643 WeakPolarHBondContact CA-O 3.21Å; D583-I897 HydrophobicContact CB-CG2 4.01Å
584	L	97.1	Very high	95.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.199	C	C	.	.			trans	-81	97.5	-175.8	-40.2	-177.5	0	0	0	108.5	T575 D577 A581 S648 L649 K685	T575-L584 HydrophobicContact CG2-CB 4.43Å; T575-L584 HydrophobicContact CG2-CD1 4.25Å; D577-L584 HydrophobicContact CB-CD2 4.27Å; A581-L584 HydrophobicContact CB-CD2 3.82Å; L584-S648 WeakPolarHBondContact CG-OG 3.3Å; L584-S648 PolarHBondContact N-OG 3.41Å; L584-L649 HydrophobicContact CB-CB 4.33Å; L584-L649 WeakPolarHBondContact O-CG 3.37Å; L584-L649 PolarHBondContact O-N 3.2Å; L584-K685 HydrophobicContact CD1-CD 3.99Å; L584-K685 HydrophobicContact CD1-CG 3.91Å; L584-K685 HydrophobicContact CD2-CD 4.4Å
585	D	98.1	Very high	95.4	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	22%	0.221	C	C	.	.			trans	-75.6	-34.5	-177.2	-94	-56	0	0	0	113.3	D583 I604 A605 S895 P896 I897 R898	D583-D585 PolarHBondContact O-N 2.94Å; D585-I604 WeakPolarHBondContact O-CA 3.5Å; D585-A605 PolarHBondContact O-N 3.47Å; D585-S895 WeakPolarHBondContact OD1-CA 3.44Å; D585-S895 VanDerWaalsContact OD2-CA 3.3Å; D585-S895 WeakPolarHBondContact OD2-CA 3.48Å; D585-S895 WeakPolarHBondContact OD2-CB 3.24Å; D585-P896 VanDerWaalsContact OD1-CD 3.25Å; D585-P896 WeakPolarHBondContact OD1-CD 3.45Å; D585-I897 WeakPolarHBondContact OD1-CB 3.36Å; D585-I897 VanDerWaalsContact OD1-CG1 3.3Å; D585-I897 WeakPolarHBondContact OD1-CG1 3.44Å; D585-I897 PolarHBondContact OD1-N 2.78Å; D585-R898 WeakPolarHBondContact OD2-CD 3.22Å; D585-R898 VanDerWaalsContact OD2-CG 3.32Å; D585-R898 WeakPolarHBondContact OD2-CG 3.28Å; D585-R898 IonicContact OD2-NE 3.3Å; D585-R898 PolarHBondContact OD2-NE 3.34Å; D585-R898 VanDerWaalsContact OD2-NE 3.07Å
586	D	98.1	Very high	95.3	Very high	13 Å²	13	41.9 Å²	41.9	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.3	-168.9	66.5	-93	0	0	0	114.4	H603 I604 M780	D586-H603 WeakPolarHBondContact CA-O 3.48Å; D586-I604 HydrophobicContact CB-CD1 3.43Å; D586-I604 VanDerWaalsContact CB-CD1 3.43Å; D586-M780 HydrophobicContact CB-CE 3.79Å; D586-M780 HydrophobicContact CB-SD 3.86Å; D586-M780 WeakPolarHBondContact OD2-CE 3.37Å
587	A	98.8	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.3	174.3	0	0	0	0	0	110.5	I573 F574 T575 H603 L649 M680	I573-A587 HydrophobicContact CG2-CB 3.66Å; F574-A587 CarbonylContact O-C 3.6Å; F574-A587 WeakPolarHBondContact O-CA 3.48Å; T575-A587 HydrophobicContact CG2-CB 3.99Å; A587-H603 HydrophobicContact CB-CB 4.33Å; A587-H603 PolarHBondContact N-O 2.84Å; A587-H603 PolarHBondContact O-CD2 3.35Å; A587-H603 PolarHBondContact O-N 2.82Å; A587-L649 HydrophobicContact CB-CD1 3.82Å; A587-M680 HydrophobicContact CB-CE 3.79Å; A587-M680 HydrophobicContact CB-SD 4.05Å
588	L	98.8	Very high	95.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.8	-175	-63.7	175.8	0	0	0	111.5	I573 F574 I576 G601 V602 L726 L775 V776 F779 M780	I573-L588 WeakPolarHBondContact CA-O 3.2Å; F574-L588 HydrophobicContact CE2-CB 4.35Å; F574-L588 PolarHBondContact N-O 2.88Å; F574-L588 PolarHBondContact O-N 3.1Å; I576-L588 HydrophobicContact CD1-CD1 4.5Å; L588-G601 WeakPolarHBondContact CA-O 3.26Å; L588-V602 HydrophobicContact CD2-CG2 3.65Å; L588-L726 HydrophobicContact CB-CD1 3.95Å; L588-L726 HydrophobicContact CD1-CD1 4.2Å; L588-L775 HydrophobicContact CD1-CD2 3.52Å; L588-V776 HydrophobicContact CD1-CG2 4.35Å; L588-F779 HydrophobicContact CD2-CB 4.07Å; L588-F779 HydrophobicContact CD2-CG 4.5Å; L588-M780 HydrophobicContact CD2-CE 3.8Å
589	S	98.7	Very high	95.8	Very high	19 Å²	19	45.4 Å²	45.4	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.7	164.4	56.3	0	0	0	0	110.9	C572 V600 G601 H603	C572-S589 VanDerWaalsContact O-CB 3.27Å; C572-S589 WeakPolarHBondContact O-CB 3.15Å; S589-V600 WeakPolarHBondContact O-CA 3.38Å; S589-G601 PolarHBondContact N-O 2.88Å; S589-G601 VanDerWaalsContact N-O 3.09Å; S589-G601 PolarHBondContact O-N 3.31Å; S589-G601 PolarHBondContact OG-N 3.13Å; S589-H603 PolarHBondContact OG-NE2 3.22Å
590	C	98.6	Very high	96.2	Very high	14 Å²	14	41.8 Å²	41.8	10%	0.095	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	123.4	174.9	-175.3	0	0	0	0	111	E599 V600 A722 H725 L726	C590-E599 WeakPolarHBondContact CA-O 3.37Å; C590-V600 HydrophobicContact CB-CG2 4.35Å; C590-A722 HydrophobicContact CB-CB 4.47Å; C590-H725 VanDerWaalsContact SG-CB 3.56Å; C590-L726 HydrophobicContact CB-CD1 4.23Å; C590-L726 HydrophobicContact CB-CD2 3.76Å; C590-L726 HydrophobicContact CB-CG 3.61Å
591	K	97.3	Very high	96.8	Very high	94 Å²	94	39.3 Å²	39.3	41%	0.409	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.5	-173.1	-171	171.1	-169	160.2	0	109.2	E571 F598 E599	E571-K591 IonicContact OE1-NZ 3.86Å; E571-K591 PolarHBondContact OE1-NZ 3.31Å; E571-K591 WeakPolarHBondContact OE2-CD 3.17Å; E571-K591 IonicContact OE2-NZ 2.67Å; E571-K591 PolarHBondContact OE2-NZ 3.22Å; K591-F598 CarbonylContact O-C 3.57Å; K591-F598 WeakPolarHBondContact O-CA 3.37Å; K591-E599 PolarHBondContact N-O 3.35Å; K591-E599 PolarHBondContact O-N 2.9Å
592	Q	97.7	Very high	97.2	Very high	114 Å²	114	38.8 Å²	38.8	53%	0.533	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	134.6	175.1	-163.7	173.6	38.8	0	0	110	F598	Q592-F598 HydrophobicContact CB-CD1 3.92Å; Q592-F598 HydrophobicContact CB-CE1 3.68Å; Q592-F598 HydrophobicContact CG-CD1 4.1Å; Q592-F598 HydrophobicContact CG-CE1 3.66Å; Q592-F598 HydrophobicContact CG-CZ 4.08Å
593	L	97.6	Very high	97.7	Very high	41 Å²	41	32.1 Å²	32.1	22%	0.215	18%	0.18	C	C	.	.			trans	-97.7	155.8	-177.9	-60.7	174.9	0	0	0	110.8	D595 G596 N597 E599 K663	L593-D595 WeakPolarHBondContact CB-OD1 3.48Å; L593-D595 PolarHBondContact O-N 3.36Å; L593-G596 PolarHBondContact O-N 3.29Å; L593-N597 WeakPolarHBondContact CB-O 3.29Å; L593-N597 HydrophobicContact CD1-CB 4.44Å; L593-N597 PolarHBondContact N-O 3.15Å; L593-E599 HydrophobicContact CD1-CB 4.33Å; L593-E599 HydrophobicContact CD2-CB 4.16Å; L593-E599 HydrophobicContact CG-CB 4.42Å; L593-K663 HydrophobicContact CD1-CD 3.93Å; L593-K663 HydrophobicContact CD1-CG 3.95Å
594	P	96.9	Very high	98	Very high	146 Å²	146	31.2 Å²	31.2	95%	0.948	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.6	-178.5	-25.6	35.5	0	0	0	115.9
595	D	95.5	Very high	98.1	Very high	86 Å²	86	31.2 Å²	31.2	46%	0.46	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.9	175.2	70.8	-25.8	0	0	0	113.7	L593 N597 K663	L593-D595 WeakPolarHBondContact CB-OD1 3.48Å; L593-D595 PolarHBondContact O-N 3.36Å; D595-N597 VanDerWaalsContact CG-ND2 3.28Å; D595-N597 PolarHBondContact O-N 2.93Å; D595-N597 PolarHBondContact OD1-N 3.31Å; D595-N597 PolarHBondContact OD2-ND2 3.47Å; D595-K663 IonicContact OD1-NZ 3.26Å; D595-K663 PolarHBondContact OD1-NZ 2.84Å; D595-K663 VanDerWaalsContact OD2-CE 3.31Å; D595-K663 WeakPolarHBondContact OD2-CE 3.36Å; D595-K663 IonicContact OD2-NZ 3.48Å; D595-K663 PolarHBondContact OD2-NZ 3.19Å
596	G	95.5	Very high	98.1	Very high	34 Å²	34	31.1 Å²	31.1	35%	0.351	17%	0.174	S	C	.	.	S	Bend	trans	79.7	-2.9	178.2	0	0	0	0	0	115.1	L593	L593-G596 PolarHBondContact O-N 3.29Å
597	N	98.3	Very high	98.1	Very high	26 Å²	26	30.5 Å²	30.5	14%	0.139	17%	0.171	C	C	.	.			trans	-80.9	176.5	169.4	-67.3	-61.7	0	0	0	110.7	L593 D595 K663 L664 T665 L671	L593-N597 WeakPolarHBondContact CB-O 3.29Å; L593-N597 HydrophobicContact CD1-CB 4.44Å; L593-N597 PolarHBondContact N-O 3.15Å; D595-N597 VanDerWaalsContact CG-ND2 3.28Å; D595-N597 PolarHBondContact O-N 2.93Å; D595-N597 PolarHBondContact OD1-N 3.31Å; D595-N597 PolarHBondContact OD2-ND2 3.47Å; N597-K663 HydrophobicContact CB-CG 4.27Å; N597-L664 WeakPolarHBondContact CA-O 3.38Å; N597-L664 WeakPolarHBondContact CB-O 3.41Å; N597-T665 WeakPolarHBondContact OD1-CA 3.45Å; N597-L671 WeakPolarHBondContact OD1-CD1 3.49Å
598	F	98.6	Very high	98	Very high	11 Å²	11	31 Å²	31	5%	0.048	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.7	177.4	-63.2	-88.8	0	0	0	111.2	K591 Q592 V600 K663 L664 P666 H725 I729	K591-F598 CarbonylContact O-C 3.57Å; K591-F598 WeakPolarHBondContact O-CA 3.37Å; Q592-F598 HydrophobicContact CB-CD1 3.92Å; Q592-F598 HydrophobicContact CB-CE1 3.68Å; Q592-F598 HydrophobicContact CG-CD1 4.1Å; Q592-F598 HydrophobicContact CG-CE1 3.66Å; Q592-F598 HydrophobicContact CG-CZ 4.08Å; F598-V600 HydrophobicContact CB-CG2 4.06Å; F598-K663 CarbonylContact O-C 3.55Å; F598-K663 WeakPolarHBondContact O-CA 3.3Å; F598-L664 PolarHBondContact N-O 3.15Å; F598-L664 PolarHBondContact O-N 3.49Å; F598-P666 HydrophobicContact CE2-CB 4.2Å; F598-P666 HydrophobicContact CE2-CG 4.09Å; F598-H725 HydrophobicContact CD1-CB 4.33Å; F598-H725 HydrophobicContact CE1-CB 3.88Å; F598-H725 AromaticContact CE1-CD2 3.41Å; F598-H725 VanDerWaalsContact CE1-CD2 3.41Å; F598-H725 WeakPolarHBondContact CE1-CD2 3.47Å; F598-H725 AromaticContact CE1-CG 3.49Å; F598-H725 VanDerWaalsContact CE1-CG 3.49Å; F598-H725 AromaticContact CE1-ND1 3.93Å; F598-H725 AromaticContact CE1-NE2 3.82Å; F598-H725 HydrophobicContact CZ-CB 4.49Å; F598-H725 AromaticContact CZ-CD2 3.6Å; F598-I729 HydrophobicContact CB-CD1 4.06Å; F598-I729 HydrophobicContact CD1-CD1 4.39Å; F598-I729 HydrophobicContact CD2-CD1 3.77Å; F598-I729 HydrophobicContact CD2-CG1 4.48Å; F598-I729 HydrophobicContact CE2-CD1 4.32Å; F598-I729 HydrophobicContact CG-CD1 3.81Å
599	E	98.6	Very high	98	Very high	51 Å²	51	33 Å²	33	24%	0.238	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	123	156.1	-170.8	175.3	20.2	0	0	106.9	R566 C590 K591 L593 I661 W662	R566-E599 IonicContact CZ-OE2 2.79Å; R566-E599 IonicContact NH1-OE2 3.01Å; R566-E599 IonicContact NH2-OE2 3.72Å; R566-E599 PolarHBondContact NH2-OE2 3.43Å; C590-E599 WeakPolarHBondContact CA-O 3.37Å; K591-E599 PolarHBondContact N-O 3.35Å; K591-E599 PolarHBondContact O-N 2.9Å; L593-E599 HydrophobicContact CD1-CB 4.33Å; L593-E599 HydrophobicContact CD2-CB 4.16Å; L593-E599 HydrophobicContact CG-CB 4.42Å; E599-I661 HydrophobicContact CG-CG2 3.53Å; E599-I661 WeakPolarHBondContact OE2-CG2 3.45Å; E599-W662 WeakPolarHBondContact CA-O 3.47Å
600	V	98.8	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.9	179.3	174.6	0	0	0	0	109	S589 C590 F598 I661 W662 L664 L726 I729 F779	S589-V600 WeakPolarHBondContact O-CA 3.38Å; C590-V600 HydrophobicContact CB-CG2 4.35Å; F598-V600 HydrophobicContact CB-CG2 4.06Å; V600-I661 WeakPolarHBondContact O-CA 3.33Å; V600-W662 PolarHBondContact N-O 2.87Å; V600-W662 PolarHBondContact O-N 3.39Å; V600-L664 HydrophobicContact CB-CD1 4.03Å; V600-L664 HydrophobicContact CB-CG 4.49Å; V600-L664 HydrophobicContact CG1-CD1 4.49Å; V600-L664 HydrophobicContact CG2-CD1 3.92Å; V600-L664 HydrophobicContact CG2-CG 4.43Å; V600-L726 HydrophobicContact CG1-CD2 3.96Å; V600-I729 HydrophobicContact CG2-CD1 4.15Å; V600-F779 HydrophobicContact CG1-CD1 3.99Å; V600-F779 HydrophobicContact CG1-CE1 3.8Å; V600-F779 HydrophobicContact CG1-CZ 4.46Å
601	G	98.8	Very high	97.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.6	177.3	0	0	0	0	0	112.6	L588 S589	L588-G601 WeakPolarHBondContact CA-O 3.26Å; S589-G601 PolarHBondContact N-O 2.88Å; S589-G601 VanDerWaalsContact N-O 3.09Å; S589-G601 PolarHBondContact O-N 3.31Å; S589-G601 PolarHBondContact OG-N 3.13Å
602	V	98.9	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.8	160.1	166.6	0	0	0	0	107.1	L588 I604 S659 V660 W662 F779 M780 A783	L588-V602 HydrophobicContact CD2-CG2 3.65Å; V602-I604 HydrophobicContact CG1-CD1 3.57Å; V602-I604 HydrophobicContact CG1-CG1 4.04Å; V602-S659 WeakPolarHBondContact O-CA 3.23Å; V602-V660 PolarHBondContact N-O 3.17Å; V602-V660 PolarHBondContact O-N 3.37Å; V602-W662 HydrophobicContact CB-CH2 4.19Å; V602-W662 HydrophobicContact CB-CZ3 3.93Å; V602-W662 HydrophobicContact CG2-CH2 4.03Å; V602-W662 HydrophobicContact CG2-CZ3 3.68Å; V602-F779 HydrophobicContact CG2-CB 3.84Å; V602-M780 HydrophobicContact CG1-CE 3.81Å; V602-M780 HydrophobicContact CG1-SD 4.12Å; V602-M780 HydrophobicContact CG2-CE 4.07Å; V602-A783 HydrophobicContact CB-CB 4.4Å; V602-A783 HydrophobicContact CG1-CB 3.91Å
603	H	98.9	Very high	97.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111.3	-173.1	-45.5	-76	0	0	0	108.6	D586 A587 S589 L649 T657 S659 M680	D586-H603 WeakPolarHBondContact CA-O 3.48Å; A587-H603 HydrophobicContact CB-CB 4.33Å; A587-H603 PolarHBondContact N-O 2.84Å; A587-H603 PolarHBondContact O-CD2 3.35Å; A587-H603 PolarHBondContact O-N 2.82Å; S589-H603 PolarHBondContact OG-NE2 3.22Å; H603-L649 VanDerWaalsContact O-CD1 3.3Å; H603-L649 WeakPolarHBondContact O-CD1 3.14Å; H603-T657 HydrophobicContact CB-CG2 4.19Å; H603-S659 PolarHBondContact ND1-OG 3.08Å; H603-M680 HydrophobicContact CB-SD 3.8Å
604	I	98.9	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140	-175.6	-52	-56.7	0	0	0	110.3	D585 D586 V602 D606 T657 F658 M780 F893 T894 P896	D585-I604 WeakPolarHBondContact O-CA 3.5Å; D586-I604 HydrophobicContact CB-CD1 3.43Å; D586-I604 VanDerWaalsContact CB-CD1 3.43Å; V602-I604 HydrophobicContact CG1-CD1 3.57Å; V602-I604 HydrophobicContact CG1-CG1 4.04Å; I604-D606 PolarHBondContact O-N 2.69Å; I604-T657 CarbonylContact O-C 3.49Å; I604-T657 WeakPolarHBondContact O-CA 3.25Å; I604-T657 VanDerWaalsContact O-CB 3.29Å; I604-T657 WeakPolarHBondContact O-CB 3.22Å; I604-T657 WeakPolarHBondContact O-CG2 3.3Å; I604-F658 PolarHBondContact N-O 3.35Å; I604-F658 PolarHBondContact O-N 2.93Å; I604-M780 HydrophobicContact CD1-SD 4.18Å; I604-F893 HydrophobicContact CB-CE1 4.18Å; I604-F893 HydrophobicContact CB-CZ 4.29Å; I604-F893 HydrophobicContact CG1-CD1 4.01Å; I604-F893 HydrophobicContact CG1-CE1 3.47Å; I604-F893 VanDerWaalsContact CG1-CE1 3.47Å; I604-F893 HydrophobicContact CG1-CZ 4.08Å; I604-T894 HydrophobicContact CD1-CG2 4.02Å; I604-T894 HydrophobicContact CG1-CG2 4.47Å; I604-P896 VanDerWaalsContact CG2-CD 3.44Å; I604-P896 HydrophobicContact CG2-CG 3.82Å
605	A	98.7	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.7	123.9	176.4	0	0	0	0	0	112.8	D585 V607 C647 L649 P896 I897 H906	D585-A605 PolarHBondContact O-N 3.47Å; A605-V607 HydrophobicContact CB-CG2 4.24Å; A605-V607 PolarHBondContact O-N 3.07Å; A605-C647 HydrophobicContact CB-CB 4.45Å; A605-C647 VanDerWaalsContact CB-O 3.25Å; A605-C647 WeakPolarHBondContact CB-O 3.25Å; A605-L649 HydrophobicContact CB-CD2 4.31Å; A605-L649 HydrophobicContact CB-CG 4.39Å; A605-P896 VanDerWaalsContact O-CG 3.25Å; A605-P896 WeakPolarHBondContact O-CG 3.31Å; A605-I897 HydrophobicContact CB-CD1 3.91Å; A605-I897 HydrophobicContact CB-CG1 4.17Å; A605-H906 PolarHBondContact O-CE1 2.84Å
606	D	98.3	Very high	97.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.142	C	C	.	.			trans	-80.5	60.8	-179.5	-172.6	7.9	0	0	0	111.7	R565 I604 S608 Y609 L656 R677	R565-D606 IonicContact CZ-OD2 3.63Å; R565-D606 VanDerWaalsContact CZ-OD2 3.29Å; R565-D606 IonicContact NH1-OD2 2.69Å; R565-D606 PolarHBondContact NH1-OD2 3.44Å; R565-D606 IonicContact NH2-OD2 2.67Å; R565-D606 PolarHBondContact NH2-OD2 3.33Å; I604-D606 PolarHBondContact O-N 2.69Å; D606-S608 PolarHBondContact O-N 2.65Å; D606-S608 VanDerWaalsContact O-N 3.12Å; D606-S608 PolarHBondContact OD1-OG 2.68Å; D606-Y609 WeakPolarHBondContact O-CB 3.24Å; D606-Y609 PolarHBondContact O-N 3.28Å; D606-Y609 PolarHBondContact OD1-N 2.89Å; D606-L656 HydrophobicContact CB-CB 4.19Å; D606-L656 WeakPolarHBondContact CB-O 3.25Å; D606-L656 PolarHBondContact N-O 3.18Å; D606-R677 IonicContact OD1-CZ 3.21Å; D606-R677 IonicContact OD1-NE 2.88Å; D606-R677 IonicContact OD1-NH2 3.91Å; D606-R677 PolarHBondContact OD1-NH2 3.19Å; D606-R677 IonicContact OD2-CZ 3.61Å; D606-R677 IonicContact OD2-NE 3.71Å; D606-R677 PolarHBondContact OD2-NE 3.04Å; D606-R677 IonicContact OD2-NH2 3.41Å; D606-R677 PolarHBondContact OD2-NH2 2.93Å
607	V	98.4	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.1	-28.1	176.5	177.7	0	0	0	0	111.4	A605 Y609 F610 V611 L638 C647 P896 I897 I903	A605-V607 HydrophobicContact CB-CG2 4.24Å; A605-V607 PolarHBondContact O-N 3.07Å; V607-Y609 PolarHBondContact O-N 2.91Å; V607-F610 PolarHBondContact O-N 3.31Å; V607-V611 HydrophobicContact CG1-CB 4.34Å; V607-V611 HydrophobicContact CG1-CG2 3.63Å; V607-V611 PolarHBondContact O-N 2.86Å; V607-L638 HydrophobicContact CG1-CD1 3.67Å; V607-C647 HydrophobicContact CG2-CB 3.92Å; V607-P896 HydrophobicContact CB-CB 3.96Å; V607-P896 HydrophobicContact CB-CG 4.2Å; V607-P896 HydrophobicContact CG2-CB 3.97Å; V607-P896 HydrophobicContact CG2-CG 3.81Å; V607-I897 HydrophobicContact CG2-CB 4.48Å; V607-I897 HydrophobicContact CG2-CG1 3.62Å; V607-I903 HydrophobicContact CG1-CD1 3.76Å; V607-I903 HydrophobicContact CG1-CG1 4.08Å
608	S	97.3	Very high	98	Very high	11 Å²	11	21.6 Å²	21.6	8%	0.077	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-14.8	174.9	83.3	0	0	0	0	114.1	D606 R677	D606-S608 PolarHBondContact O-N 2.65Å; D606-S608 VanDerWaalsContact O-N 3.12Å; D606-S608 PolarHBondContact OD1-OG 2.68Å; S608-R677 PolarHBondContact OG-NH2 3.12Å
609	Y	97	Very high	98	Very high	42 Å²	42	24 Å²	24	17%	0.165	13%	0.133	C	C	.	.	H	α-helix	trans	-71	-42.5	166.5	177.5	-95.4	0	0	0	111.6	W555 E561 D606 V607 K612 L656	W555-Y609 HydrophobicContact CH2-CE1 4.43Å; W555-Y609 AromaticContact CZ2-CE1 3.88Å; W555-Y609 HydrophobicContact CZ2-CE1 3.88Å; E561-Y609 HydrophobicContact CG-CE2 3.68Å; E561-Y609 WeakPolarHBondContact OE2-CE2 3.05Å; D606-Y609 WeakPolarHBondContact O-CB 3.24Å; D606-Y609 PolarHBondContact O-N 3.28Å; D606-Y609 PolarHBondContact OD1-N 2.89Å; V607-Y609 PolarHBondContact O-N 2.91Å; Y609-K612 WeakPolarHBondContact O-CE 3.43Å; Y609-K612 PolarHBondContact O-NZ 2.78Å; Y609-L656 HydrophobicContact CD1-CD1 3.56Å; Y609-L656 HydrophobicContact CD2-CD1 4.08Å; Y609-L656 HydrophobicContact CE1-CD1 3.73Å; Y609-L656 HydrophobicContact CE2-CD1 4.22Å; Y609-L656 HydrophobicContact CG-CD1 3.74Å
610	F	97.6	Very high	98	Very high	21 Å²	21	22.4 Å²	22.4	9%	0.092	13%	0.126	C	C	.	.	H	α-helix	trans	-85.4	-46.2	-177.3	-59.9	-83	0	0	0	112.5	P550 W555 V607 K612 L642 L646 C647	P550-F610 HydrophobicContact CG-CD1 4.02Å; P550-F610 HydrophobicContact CG-CE1 4.16Å; W555-F610 HydrophobicContact CD2-CE1 4.36Å; W555-F610 HydrophobicContact CE3-CE1 4.47Å; W555-F610 HydrophobicContact CE3-CZ 4.34Å; W555-F610 HydrophobicContact CH2-CE1 4.02Å; W555-F610 AromaticContact CH2-CZ 3.64Å; W555-F610 HydrophobicContact CH2-CZ 3.64Å; W555-F610 AromaticContact CZ2-CE1 3.9Å; W555-F610 HydrophobicContact CZ2-CE1 3.9Å; W555-F610 HydrophobicContact CZ2-CZ 4.01Å; W555-F610 HydrophobicContact CZ3-CE1 4.31Å; W555-F610 AromaticContact CZ3-CZ 3.83Å; W555-F610 HydrophobicContact CZ3-CZ 3.83Å; V607-F610 PolarHBondContact O-N 3.31Å; F610-K612 PolarHBondContact O-N 3.31Å; F610-L642 HydrophobicContact CB-CD1 4.32Å; F610-L642 HydrophobicContact CB-CD2 4.03Å; F610-L642 HydrophobicContact CD1-CD2 4.15Å; F610-L642 HydrophobicContact CG-CD2 4.06Å; F610-L646 HydrophobicContact CE1-CB 4.37Å; F610-L646 HydrophobicContact CE1-CD1 4.4Å; F610-L646 HydrophobicContact CZ-CB 4.25Å; F610-C647 WeakPolarHBondContact CD2-SG 3.39Å
611	V	97.9	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-87.1	93.2	-177.3	-172.5	0	0	0	0	109.8	V607 L617 D618 L638 L642 R907	V607-V611 HydrophobicContact CG1-CB 4.34Å; V607-V611 HydrophobicContact CG1-CG2 3.63Å; V607-V611 PolarHBondContact O-N 2.86Å; V611-L617 HydrophobicContact CG1-CG 4.32Å; V611-L617 HydrophobicContact CG2-CD2 4.11Å; V611-L617 HydrophobicContact CG2-CG 4.33Å; V611-D618 HydrophobicContact CG1-CB 3.94Å; V611-L638 HydrophobicContact CG2-CD1 4.26Å; V611-L638 HydrophobicContact CG2-CD2 4.01Å; V611-L642 HydrophobicContact CG2-CD1 4.23Å; V611-R907 PolarHBondContact O-NH2 2.83Å
612	K	96.4	Very high	97.9	Very high	108 Å²	108	22.5 Å²	22.5	47%	0.47	13%	0.126	S	C	.	.			trans	-80.4	137.9	177.9	-53.5	-54.1	-165.5	-169.4	0	111.9	Y609 F610 T615 D618	Y609-K612 WeakPolarHBondContact O-CE 3.43Å; Y609-K612 PolarHBondContact O-NZ 2.78Å; F610-K612 PolarHBondContact O-N 3.31Å; K612-T615 HydrophobicContact CB-CG2 3.9Å; K612-T615 WeakPolarHBondContact O-CB 3.36Å; K612-T615 WeakPolarHBondContact O-CG2 3.23Å; K612-T615 PolarHBondContact O-N 3.27Å; K612-T615 PolarHBondContact O-OG1 2.9Å; K612-D618 VanDerWaalsContact O-CB 3.25Å; K612-D618 WeakPolarHBondContact O-CB 3.4Å
613	E	96.1	Very high	97.8	Very high	61 Å²	61	27.7 Å²	27.7	29%	0.285	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.2	-178.8	-170.4	173.9	175.9	0	0	112.5	T615 D618 G920 L921	E613-T615 VanDerWaalsContact C-N 3.3Å; E613-T615 PolarHBondContact O-N 3.09Å; E613-D618 WeakPolarHBondContact CA-OD2 3.41Å; E613-G920 WeakPolarHBondContact OE1-CA 3.23Å; E613-G920 PolarHBondContact OE1-N 3.15Å; E613-G920 PolarHBondContact OE2-N 2.95Å; E613-L921 PolarHBondContact OE1-N 2.96Å
614	G	95.8	Very high	97.8	Very high	52 Å²	52	28.3 Å²	28.3	54%	0.536	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-5.1	176.8	0	0	0	0	0	116.3	D618 N619	G614-D618 PolarHBondContact N-OD2 2.73Å; G614-N619 PolarHBondContact O-ND2 2.74Å; G614-N619 VanDerWaalsContact O-ND2 3.11Å
615	T	97.9	Very high	97.8	Very high	38 Å²	38	28.4 Å²	28.4	23%	0.233	15%	0.154	C	C	.	.	S	Bend	trans	-68.6	160.2	175.4	57.9	0	0	0	0	112.7	K612 E613 L617 D618 N619	K612-T615 HydrophobicContact CB-CG2 3.9Å; K612-T615 WeakPolarHBondContact O-CB 3.36Å; K612-T615 WeakPolarHBondContact O-CG2 3.23Å; K612-T615 PolarHBondContact O-N 3.27Å; K612-T615 PolarHBondContact O-OG1 2.9Å; E613-T615 VanDerWaalsContact C-N 3.3Å; E613-T615 PolarHBondContact O-N 3.09Å; T615-L617 PolarHBondContact O-N 3.37Å; T615-D618 PolarHBondContact O-N 2.81Å; T615-D618 VanDerWaalsContact O-N 3.11Å; T615-D618 WeakPolarHBondContact OG1-CB 3.39Å; T615-D618 PolarHBondContact OG1-N 3.28Å; T615-D618 VanDerWaalsContact OG1-N 3.16Å; T615-N619 PolarHBondContact O-N 2.98Å; T615-N619 PolarHBondContact O-ND2 3.38Å
616	P	98.5	Very high	97.7	Very high	49 Å²	49	29.4 Å²	29.4	32%	0.318	16%	0.16	S	C	.	.	H	α-helix	trans	-51.1	-41.7	170.1	-29	34.9	0	0	0	113.1	E544 V545 N619 M620	E544-P616 HydrophobicContact CB-CB 4.38Å; E544-P616 HydrophobicContact CB-CG 4.47Å; E544-P616 HydrophobicContact CG-CB 4.36Å; V545-P616 HydrophobicContact CG2-CB 4.07Å; P616-N619 PolarHBondContact O-N 2.88Å; P616-M620 PolarHBondContact O-N 2.85Å
617	L	98.6	Very high	97.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-45	175.2	175.2	61.6	0	0	0	112.9	V545 C548 L549 V611 T615 M620 A621 L638 P639 L642	V545-L617 HydrophobicContact CG1-CB 4.07Å; V545-L617 HydrophobicContact CG1-CD1 3.66Å; V545-L617 HydrophobicContact CG1-CG 4.47Å; C548-L617 HydrophobicContact CB-CB 3.83Å; C548-L617 HydrophobicContact CB-CD2 4.16Å; L549-L617 HydrophobicContact CD2-CD2 4.2Å; V611-L617 HydrophobicContact CG1-CG 4.32Å; V611-L617 HydrophobicContact CG2-CD2 4.11Å; V611-L617 HydrophobicContact CG2-CG 4.33Å; T615-L617 PolarHBondContact O-N 3.37Å; L617-M620 PolarHBondContact O-N 3.06Å; L617-A621 WeakPolarHBondContact O-CB 3.19Å; L617-A621 PolarHBondContact O-N 3.11Å; L617-L638 HydrophobicContact CD1-CD2 4.25Å; L617-P639 VanDerWaalsContact CD1-CD 3.44Å; L617-P639 HydrophobicContact CD1-CG 3.92Å; L617-L642 HydrophobicContact CD2-CD1 3.9Å
618	D	98.5	Very high	97.6	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-40.2	175.5	-175.4	55.2	0	0	0	112.6	V611 K612 E613 G614 T615 A621 S622 Y900 R907	V611-D618 HydrophobicContact CG1-CB 3.94Å; K612-D618 VanDerWaalsContact O-CB 3.25Å; K612-D618 WeakPolarHBondContact O-CB 3.4Å; E613-D618 WeakPolarHBondContact CA-OD2 3.41Å; G614-D618 PolarHBondContact N-OD2 2.73Å; T615-D618 PolarHBondContact O-N 2.81Å; T615-D618 VanDerWaalsContact O-N 3.11Å; T615-D618 WeakPolarHBondContact OG1-CB 3.39Å; T615-D618 PolarHBondContact OG1-N 3.28Å; T615-D618 VanDerWaalsContact OG1-N 3.16Å; D618-A621 PolarHBondContact O-N 3.23Å; D618-S622 VanDerWaalsContact O-CB 3.31Å; D618-S622 WeakPolarHBondContact O-CB 3.3Å; D618-S622 PolarHBondContact O-N 2.92Å; D618-Y900 WeakPolarHBondContact OD1-CE2 3.15Å; D618-Y900 PolarHBondContact OD1-OH 3.23Å; D618-R907 IonicContact OD1-CZ 3.55Å; D618-R907 IonicContact OD1-NH1 2.68Å; D618-R907 PolarHBondContact OD1-NH1 2.93Å; D618-R907 IonicContact OD1-NH2 3.78Å; D618-R907 PolarHBondContact OD1-NH2 2.81Å; D618-R907 IonicContact OD2-CZ 2.75Å; D618-R907 IonicContact OD2-NH1 3.75Å; D618-R907 PolarHBondContact OD2-NH1 2.83Å; D618-R907 IonicContact OD2-NH2 3.64Å
619	N	98.1	Very high	97.4	Very high	60 Å²	60	29.8 Å²	29.8	32%	0.321	16%	0.161	S	C	.	.	H	α-helix	trans	-64.5	-41	175.7	-75.1	-67.2	0	0	0	111.7	G614 T615 P616 S622 Q623	G614-N619 PolarHBondContact O-ND2 2.74Å; G614-N619 VanDerWaalsContact O-ND2 3.11Å; T615-N619 PolarHBondContact O-N 2.98Å; T615-N619 PolarHBondContact O-ND2 3.38Å; P616-N619 PolarHBondContact O-N 2.88Å; N619-S622 PolarHBondContact O-N 2.9Å; N619-Q623 WeakPolarHBondContact O-CG 3.18Å; N619-Q623 PolarHBondContact O-N 2.99Å; N619-Q623 PolarHBondContact O-NE2 2.92Å
620	M	98	Very high	97.3	Very high	19 Å²	19	28 Å²	28	9%	0.094	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-41.7	175.5	-176.7	155.1	-76.7	0	0	112.2	F541 P542 V545 P616 L617 S622 Q623 R624	F541-M620 HydrophobicContact CD1-CG 4.33Å; F541-M620 HydrophobicContact CD1-SD 3.49Å; F541-M620 WeakPolarHBondContact CD1-SD 3.44Å; F541-M620 HydrophobicContact CE1-CG 4.24Å; F541-M620 HydrophobicContact CE1-SD 3.92Å; F541-M620 HydrophobicContact CG-SD 4.46Å; P542-M620 HydrophobicContact CG-CE 3.9Å; V545-M620 HydrophobicContact CG1-SD 4.5Å; V545-M620 HydrophobicContact CG2-CB 4.13Å; V545-M620 HydrophobicContact CG2-CE 4.39Å; V545-M620 HydrophobicContact CG2-SD 4.01Å; P616-M620 PolarHBondContact O-N 2.85Å; L617-M620 PolarHBondContact O-N 3.06Å; M620-S622 VanDerWaalsContact C-N 3.28Å; M620-S622 PolarHBondContact O-N 2.95Å; M620-Q623 PolarHBondContact O-N 3.25Å; M620-R624 PolarHBondContact O-N 3.11Å
621	A	98.4	Very high	97.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-42.7	172.1	0	0	0	0	0	111.3	L617 D618 Q623 A625 M637 L638 Y900	L617-A621 WeakPolarHBondContact O-CB 3.19Å; L617-A621 PolarHBondContact O-N 3.11Å; D618-A621 PolarHBondContact O-N 3.23Å; A621-Q623 VanDerWaalsContact C-N 3.32Å; A621-Q623 PolarHBondContact O-N 2.93Å; A621-A625 VanDerWaalsContact O-CA 3.31Å; A621-A625 WeakPolarHBondContact O-CA 3.47Å; A621-A625 PolarHBondContact O-N 2.8Å; A621-M637 HydrophobicContact CB-CG 4.45Å; A621-L638 HydrophobicContact CB-CD2 3.57Å; A621-Y900 HydrophobicContact CB-CD2 3.95Å; A621-Y900 HydrophobicContact CB-CE2 4.29Å
622	S	98.1	Very high	96.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-28.5	174.4	-176.3	0	0	0	0	113.7	D618 N619 M620 Y900 R929 H932	D618-S622 VanDerWaalsContact O-CB 3.31Å; D618-S622 WeakPolarHBondContact O-CB 3.3Å; D618-S622 PolarHBondContact O-N 2.92Å; N619-S622 PolarHBondContact O-N 2.9Å; M620-S622 VanDerWaalsContact C-N 3.28Å; M620-S622 PolarHBondContact O-N 2.95Å; S622-Y900 VanDerWaalsContact CB-CZ 3.49Å; S622-Y900 WeakPolarHBondContact OG-CE1 3.1Å; S622-R929 WeakPolarHBondContact OG-CD 3.46Å; S622-R929 PolarHBondContact OG-NE 2.75Å; S622-R929 PolarHBondContact OG-NH1 2.72Å; S622-H932 PolarHBondContact O-CD2 3.08Å; S622-H932 PolarHBondContact O-NE2 3.12Å
623	Q	97.4	Very high	96.7	Very high	109 Å²	109	26.6 Å²	26.6	51%	0.509	15%	0.151	S	C	.	.	H	α-helix	trans	-78.9	-42.6	178.8	-75.9	167.1	34.3	0	0	111.7	N619 M620 A621 H932 K936	N619-Q623 WeakPolarHBondContact O-CG 3.18Å; N619-Q623 PolarHBondContact O-N 2.99Å; N619-Q623 PolarHBondContact O-NE2 2.92Å; M620-Q623 PolarHBondContact O-N 3.25Å; A621-Q623 VanDerWaalsContact C-N 3.32Å; A621-Q623 PolarHBondContact O-N 2.93Å; Q623-H932 PolarHBondContact O-NE2 2.8Å; Q623-K936 WeakPolarHBondContact O-CE 3.03Å
624	R	97.8	Very high	96.6	Very high	14 Å²	14	26.4 Å²	26.4	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-40.7	173	-67	-171.5	177.4	-166.4	-0.6	111.5	D537 S539 M620 T626 P636 M637	D537-R624 HydrophobicContact CB-CG 4.42Å; D537-R624 PolarHBondContact O-NE 3.29Å; D537-R624 IonicContact OD1-NH2 3.41Å; D537-R624 PolarHBondContact OD1-NH2 2.77Å; D537-R624 IonicContact OD2-CZ 2.74Å; D537-R624 IonicContact OD2-NE 3.03Å; D537-R624 PolarHBondContact OD2-NE 2.86Å; D537-R624 IonicContact OD2-NH2 3.29Å; D537-R624 PolarHBondContact OD2-NH2 3.09Å; S539-R624 PolarHBondContact O-NH2 3.18Å; M620-R624 PolarHBondContact O-N 3.11Å; R624-T626 PolarHBondContact O-N 2.72Å; R624-P636 WeakPolarHBondContact CD-O 3.3Å; R624-P636 PolarHBondContact NH1-O 2.9Å; R624-M637 HydrophobicContact CB-CG 4.2Å
625	A	98.3	Very high	96.6	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.017	13%	0.13	C	C	.	.			trans	61.4	-26.1	177.8	0	0	0	0	0	116.9	A621 M637 Y900 K936	A621-A625 VanDerWaalsContact O-CA 3.31Å; A621-A625 WeakPolarHBondContact O-CA 3.47Å; A621-A625 PolarHBondContact O-N 2.8Å; A625-M637 VanDerWaalsContact C-SD 3.6Å; A625-Y900 WeakPolarHBondContact O-CB 3.4Å; A625-Y900 PolarHBondContact O-N 2.87Å; A625-K936 HydrophobicContact CB-CB 3.86Å; A625-K936 HydrophobicContact CB-CG 4.08Å
626	T	97.5	Very high	96.6	Very high	22 Å²	22	23.7 Å²	23.7	14%	0.135	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-155.3	154.6	171.2	-170.3	0	0	0	0	110.6	R624 R898	R624-T626 PolarHBondContact O-N 2.72Å; T626-R898 CarbonylContact C-O 3.54Å; T626-R898 WeakPolarHBondContact CA-O 3.26Å; T626-R898 PolarHBondContact OG1-O 2.84Å
627	S	97.4	Very high	96.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.113	C	C	.	.			trans	-69.7	157.4	167	-59.5	0	0	0	0	111.1	V635 M637 R898 S940	S627-V635 CarbonylContact C-O 3.55Å; S627-V635 VanDerWaalsContact CA-O 3.29Å; S627-V635 WeakPolarHBondContact CA-O 3.38Å; S627-V635 WeakPolarHBondContact CB-O 3.36Å; S627-M637 PolarHBondContact OG-N 3.07Å; S627-M637 VanDerWaalsContact OG-N 3.09Å; S627-R898 PolarHBondContact N-O 3.17Å; S627-S940 PolarHBondContact O-OG 2.89Å
628	V	96.8	Very high	96.6	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.055	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.9	177.5	-169.6	0	0	0	0	109.5	V536 V634 V635 V943 Q944	V536-V628 HydrophobicContact CG1-CG2 4.01Å; V536-V628 HydrophobicContact CG2-CG2 4.41Å; V628-V634 WeakPolarHBondContact O-CA 3.32Å; V628-V635 HydrophobicContact CB-CB 4.24Å; V628-V635 PolarHBondContact N-O 3.43Å; V628-V635 PolarHBondContact O-N 2.98Å; V628-V943 HydrophobicContact CG1-CB 4.17Å; V628-V943 HydrophobicContact CG1-CG1 3.67Å; V628-Q944 HydrophobicContact CG1-CG 4.35Å
629	Y	93.4	Very high	96.5	Very high	10 Å²	10	21.2 Å²	21.2	4%	0.039	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	92.4	-173.6	-65.6	-92.2	0	0	0	111.1	T145 S146 D583 V634 R898 Q944	T145-Y629 HydrophobicContact CG2-CD1 4.37Å; S146-Y629 VanDerWaalsContact OG-CE1 3.27Å; S146-Y629 WeakPolarHBondContact OG-CE1 3.41Å; D583-Y629 PolarHBondContact OD2-OH 3.37Å; Y629-V634 HydrophobicContact CD1-CB 4.27Å; Y629-V634 HydrophobicContact CD1-CG1 3.78Å; Y629-V634 HydrophobicContact CD1-CG2 3.46Å; Y629-V634 VanDerWaalsContact CD1-CG2 3.46Å; Y629-V634 HydrophobicContact CE1-CB 4.37Å; Y629-V634 HydrophobicContact CE1-CG1 3.61Å; Y629-V634 HydrophobicContact CE1-CG2 3.76Å; Y629-V634 HydrophobicContact CG-CG1 4.27Å; Y629-V634 HydrophobicContact CG-CG2 4.36Å; Y629-R898 VanDerWaalsContact OH-CB 3.25Å; Y629-R898 WeakPolarHBondContact OH-CB 3.28Å; Y629-R898 WeakPolarHBondContact OH-CD 3.14Å; Y629-Q944 WeakPolarHBondContact O-CG 3.31Å
630	L	95.1	Very high	96.4	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	12%	0.123	C	C	.	.			trans	-78.5	168.7	173.2	-57.1	167.9	0	0	0	109.9	T527 M531 Q632 M633 V635 V943	T527-L630 HydrophobicContact CG2-CD1 3.68Å; M531-L630 HydrophobicContact CG-CD1 4.42Å; M531-L630 HydrophobicContact SD-CD1 3.89Å; L630-Q632 PolarHBondContact O-N 3.38Å; L630-M633 CarbonylContact C-O 3.59Å; L630-M633 WeakPolarHBondContact CA-O 3.32Å; L630-M633 HydrophobicContact CB-CG 4.1Å; L630-M633 WeakPolarHBondContact CB-O 3.43Å; L630-M633 HydrophobicContact CD1-CG 3.75Å; L630-M633 HydrophobicContact CD1-SD 4.13Å; L630-M633 HydrophobicContact CG-CG 4.48Å; L630-M633 PolarHBondContact N-O 3.39Å; L630-M633 VanDerWaalsContact O-O 3.09Å; L630-V635 HydrophobicContact CD1-CG2 4.44Å; L630-V943 HydrophobicContact CD2-CG1 3.65Å
631	V	94	Very high	96.3	Very high	12 Å²	12	26.7 Å²	26.7	7%	0.073	13%	0.13	C	C	.	.	S	Bend	trans	-63.8	-40.1	-177.1	175.7	0	0	0	0	112.2	T143 F752 L754 S947 Y951	T143-V631 WeakPolarHBondContact CB-O 3.41Å; T143-V631 HydrophobicContact CG2-CG1 3.8Å; T143-V631 VanDerWaalsContact CG2-O 3.22Å; T143-V631 WeakPolarHBondContact CG2-O 3.44Å; V631-F752 HydrophobicContact CB-CD2 4.42Å; V631-F752 HydrophobicContact CG1-CB 4.05Å; V631-F752 HydrophobicContact CG1-CD2 3.52Å; V631-F752 HydrophobicContact CG1-CE2 4.24Å; V631-F752 HydrophobicContact CG1-CG 3.95Å; V631-F752 HydrophobicContact CG2-CD2 3.92Å; V631-F752 HydrophobicContact CG2-CE2 3.88Å; V631-L754 HydrophobicContact CG1-CD1 4.45Å; V631-L754 HydrophobicContact CG1-CD2 4.28Å; V631-S947 PolarHBondContact N-OG 3.22Å; V631-S947 VanDerWaalsContact N-OG 3.13Å; V631-Y951 HydrophobicContact CB-CD1 4.28Å; V631-Y951 HydrophobicContact CB-CD2 3.6Å; V631-Y951 HydrophobicContact CB-CE1 4.48Å; V631-Y951 HydrophobicContact CB-CE2 3.81Å; V631-Y951 HydrophobicContact CB-CG 3.85Å; V631-Y951 HydrophobicContact CG1-CD1 3.64Å; V631-Y951 HydrophobicContact CG1-CD2 3.91Å; V631-Y951 HydrophobicContact CG1-CE1 3.91Å; V631-Y951 HydrophobicContact CG1-CE2 4.15Å; V631-Y951 HydrophobicContact CG1-CG 3.63Å; V631-Y951 HydrophobicContact CG2-CD2 3.93Å; V631-Y951 HydrophobicContact CG2-CG 4.09Å
632	Q	93.2	Very high	96.2	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.065	13%	0.13	C	C	.	.	S	Bend	trans	-94.4	-27.6	-179.7	71.5	-73.7	44.4	0	0	115.2	R141 E524 T527 L630 L754 Y951	R141-Q632 PolarHBondContact NH1-O 2.88Å; R141-Q632 PolarHBondContact NH2-O 3.07Å; E524-Q632 PolarHBondContact OE1-NE2 2.81Å; T527-Q632 PolarHBondContact OG1-NE2 2.87Å; L630-Q632 PolarHBondContact O-N 3.38Å; Q632-L754 HydrophobicContact CB-CD1 4.05Å; Q632-Y951 WeakPolarHBondContact CB-OH 3.29Å
633	M	91.6	Very high	96	Very high	72 Å²	72	27 Å²	27	36%	0.355	13%	0.132	S	C	.	.			trans	-147	168.9	-167.4	68.1	175.6	-72.3	0	0	113.5	L630 V635	L630-M633 CarbonylContact C-O 3.59Å; L630-M633 WeakPolarHBondContact CA-O 3.32Å; L630-M633 HydrophobicContact CB-CG 4.1Å; L630-M633 WeakPolarHBondContact CB-O 3.43Å; L630-M633 HydrophobicContact CD1-CG 3.75Å; L630-M633 HydrophobicContact CD1-SD 4.13Å; L630-M633 HydrophobicContact CG-CG 4.48Å; L630-M633 PolarHBondContact N-O 3.39Å; L630-M633 VanDerWaalsContact O-O 3.09Å; M633-V635 HydrophobicContact CE-CG2 4.19Å
634	V	94.1	Very high	95.8	Very high	58 Å²	58	23.6 Å²	23.6	35%	0.352	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.5	173.3	-174.8	0	0	0	0	108.8	V628 Y629 P636	V628-V634 WeakPolarHBondContact O-CA 3.32Å; Y629-V634 HydrophobicContact CD1-CB 4.27Å; Y629-V634 HydrophobicContact CD1-CG1 3.78Å; Y629-V634 HydrophobicContact CD1-CG2 3.46Å; Y629-V634 VanDerWaalsContact CD1-CG2 3.46Å; Y629-V634 HydrophobicContact CE1-CB 4.37Å; Y629-V634 HydrophobicContact CE1-CG1 3.61Å; Y629-V634 HydrophobicContact CE1-CG2 3.76Å; Y629-V634 HydrophobicContact CG-CG1 4.27Å; Y629-V634 HydrophobicContact CG-CG2 4.36Å; V634-P636 WeakPolarHBondContact O-CD 3.37Å
635	V	96.7	Very high	95.6	Very high	6 Å²	6	28 Å²	28	4%	0.036	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.2	166.4	-177.8	0	0	0	0	107.4	M531 V536 D537 F538 S627 V628 L630 M633	M531-V635 HydrophobicContact SD-CG2 3.73Å; V536-V635 HydrophobicContact CG1-CB 4.44Å; V536-V635 HydrophobicContact CG1-CG1 4.14Å; V536-V635 HydrophobicContact CG1-CG2 4.37Å; D537-V635 VanDerWaalsContact O-CG1 3.29Å; D537-V635 WeakPolarHBondContact O-CG1 3.27Å; F538-V635 HydrophobicContact CB-CG1 4.05Å; F538-V635 HydrophobicContact CB-CG2 4.06Å; S627-V635 CarbonylContact C-O 3.55Å; S627-V635 VanDerWaalsContact CA-O 3.29Å; S627-V635 WeakPolarHBondContact CA-O 3.38Å; S627-V635 WeakPolarHBondContact CB-O 3.36Å; V628-V635 HydrophobicContact CB-CB 4.24Å; V628-V635 PolarHBondContact N-O 3.43Å; V628-V635 PolarHBondContact O-N 2.98Å; L630-V635 HydrophobicContact CD1-CG2 4.44Å; M633-V635 HydrophobicContact CE-CG2 4.19Å
636	P	96.8	Very high	95.5	Very high	27 Å²	27	28.6 Å²	28.6	18%	0.175	14%	0.14	C	C	.	.			trans	-84.7	147.5	-169.8	34.5	-36.6	0	0	0	112.4	F541 R624 V634 L638	F541-P636 HydrophobicContact CE2-CG 4.18Å; F541-P636 HydrophobicContact CZ-CG 4.43Å; R624-P636 WeakPolarHBondContact CD-O 3.3Å; R624-P636 PolarHBondContact NH1-O 2.9Å; V634-P636 WeakPolarHBondContact O-CD 3.37Å; P636-L638 WeakPolarHBondContact CB-O 3.41Å
637	M	97.9	Very high	95.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.135	C	C	.	.	S	Bend	trans	-69	-32.5	173.2	-172.4	-179.3	73.2	0	0	113	A621 R624 A625 S627 P896 R899 Y900 I903	A621-M637 HydrophobicContact CB-CG 4.45Å; R624-M637 HydrophobicContact CB-CG 4.2Å; A625-M637 VanDerWaalsContact C-SD 3.6Å; S627-M637 PolarHBondContact OG-N 3.07Å; S627-M637 VanDerWaalsContact OG-N 3.09Å; M637-P896 WeakPolarHBondContact CE-O 3.47Å; M637-R899 VanDerWaalsContact SD-C 3.59Å; M637-Y900 PolarHBondContact SD-N 3.12Å; M637-I903 HydrophobicContact CE-CD1 3.74Å
638	L	98.3	Very high	95.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-122.3	162.5	-176.9	-55.5	173.3	0	0	0	110.6	F541 V607 V611 L617 A621 P636 L642 C643	F541-L638 VanDerWaalsContact CZ-O 3.22Å; F541-L638 WeakPolarHBondContact CZ-O 3.19Å; V607-L638 HydrophobicContact CG1-CD1 3.67Å; V611-L638 HydrophobicContact CG2-CD1 4.26Å; V611-L638 HydrophobicContact CG2-CD2 4.01Å; L617-L638 HydrophobicContact CD1-CD2 4.25Å; A621-L638 HydrophobicContact CB-CD2 3.57Å; P636-L638 WeakPolarHBondContact CB-O 3.41Å; L638-L642 HydrophobicContact CB-CB 4.4Å; L638-C643 PolarHBondContact O-SG 3.46Å
639	P	97.8	Very high	95.5	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.019	13%	0.132	C	C	.	.			trans	-56.6	143.5	173.6	-26.7	36.1	0	0	0	112.2	F541 V545 L546 L549 L617 L641 L642 C643	F541-P639 HydrophobicContact CB-CG 4.44Å; F541-P639 HydrophobicContact CD1-CG 3.8Å; F541-P639 HydrophobicContact CD2-CB 4.3Å; F541-P639 HydrophobicContact CD2-CG 4.26Å; F541-P639 HydrophobicContact CE1-CG 4.07Å; F541-P639 HydrophobicContact CG-CB 4.39Å; F541-P639 HydrophobicContact CG-CG 3.9Å; F541-P639 HydrophobicContact CZ-CG 4.42Å; V545-P639 HydrophobicContact CG1-CG 4.13Å; L546-P639 HydrophobicContact CD2-CB 4.25Å; L546-P639 HydrophobicContact CD2-CG 4.34Å; L549-P639 HydrophobicContact CD1-CB 3.91Å; L549-P639 HydrophobicContact CD1-CG 4.2Å; L549-P639 HydrophobicContact CD2-CB 4.38Å; L549-P639 HydrophobicContact CD2-CG 4.22Å; L617-P639 VanDerWaalsContact CD1-CD 3.44Å; L617-P639 HydrophobicContact CD1-CG 3.92Å; P639-L641 PolarHBondContact O-N 3.06Å; P639-L641 VanDerWaalsContact O-N 3.09Å; P639-L642 PolarHBondContact O-N 3Å; P639-C643 PolarHBondContact O-N 3.29Å; P639-C643 VanDerWaalsContact O-N 3.16Å
640	R	95.3	Very high	95.7	Very high	146 Å²	146	28.3 Å²	28.3	55%	0.551	14%	0.138	S	C	*	.	H	α-helix	trans	-55.7	-32.4	-174.6	-57.1	-172.4	68.6	173.5	0.4	113.6	L642 C643 E644	R640-L642 VanDerWaalsContact C-N 3.25Å; R640-L642 PolarHBondContact O-N 3.18Å; R640-C643 PolarHBondContact O-N 2.89Å; R640-E644 IonicContact CZ-OE1 3.8Å; R640-E644 IonicContact CZ-OE2 2.7Å; R640-E644 IonicContact NE-OE1 3.18Å; R640-E644 PolarHBondContact NE-OE1 2.75Å; R640-E644 VanDerWaalsContact NH2-CD 3.32Å; R640-E644 IonicContact NH2-OE1 3.88Å; R640-E644 PolarHBondContact NH2-OE1 3.25Å; R640-E644 IonicContact NH2-OE2 3.7Å; R640-E644 PolarHBondContact NH2-OE2 2.78Å; R640-E644 PolarHBondContact O-N 3.35Å
641	L	96.6	Very high	95.8	Very high	48 Å²	48	30 Å²	30	25%	0.251	15%	0.149	S	C	.	.	I	π-helix	trans	-59.7	-30.6	173.2	-178.8	63.3	0	0	0	113.3	L549 L553 P639 E645 L646	L549-L641 HydrophobicContact CB-CD2 4.43Å; L549-L641 HydrophobicContact CD1-CD2 4.2Å; L553-L641 HydrophobicContact CD1-CD2 4.19Å; L553-L641 HydrophobicContact CD2-CD1 4.29Å; L553-L641 HydrophobicContact CD2-CD2 4.23Å; P639-L641 PolarHBondContact O-N 3.06Å; P639-L641 VanDerWaalsContact O-N 3.09Å; L641-E645 HydrophobicContact CD1-CB 4.23Å; L641-E645 WeakPolarHBondContact O-CB 3.45Å; L641-L646 HydrophobicContact CD1-CD1 4.36Å; L641-L646 HydrophobicContact CD1-CG 4.13Å; L641-L646 HydrophobicContact CD2-CD1 4.49Å; L641-L646 HydrophobicContact CG-CD1 4.09Å; L641-L646 HydrophobicContact CG-CG 4.19Å; L641-L646 WeakPolarHBondContact O-CB 3.47Å; L641-L646 WeakPolarHBondContact O-CG 3.25Å; L641-L646 PolarHBondContact O-N 3.26Å
642	L	96.6	Very high	96	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.166	C	C	.	.	I	π-helix	trans	-83.2	-47.3	170.6	-62.4	-174.8	0	0	0	110.9	L549 F610 V611 L617 L638 P639 R640 L646 C647	L549-L642 HydrophobicContact CD2-CD1 3.71Å; L549-L642 HydrophobicContact CD2-CD2 4Å; L549-L642 HydrophobicContact CD2-CG 3.66Å; F610-L642 HydrophobicContact CB-CD1 4.32Å; F610-L642 HydrophobicContact CB-CD2 4.03Å; F610-L642 HydrophobicContact CD1-CD2 4.15Å; F610-L642 HydrophobicContact CG-CD2 4.06Å; V611-L642 HydrophobicContact CG2-CD1 4.23Å; L617-L642 HydrophobicContact CD2-CD1 3.9Å; L638-L642 HydrophobicContact CB-CB 4.4Å; P639-L642 PolarHBondContact O-N 3Å; R640-L642 VanDerWaalsContact C-N 3.25Å; R640-L642 PolarHBondContact O-N 3.18Å; L642-L646 HydrophobicContact CD2-CB 4.24Å; L642-L646 HydrophobicContact CD2-CD1 4.31Å; L642-C647 WeakPolarHBondContact O-CB 3.25Å; L642-C647 PolarHBondContact O-N 3.46Å
643	C	93.1	Very high	96.1	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.041	18%	0.179	C	C	.	.	I	π-helix	trans	-64.2	-45.5	-173.9	-69.1	0	0	0	0	114.6	D583 L638 P639 R640 S648 I897	D583-C643 WeakPolarHBondContact CA-O 3.21Å; L638-C643 PolarHBondContact O-SG 3.46Å; P639-C643 PolarHBondContact O-N 3.29Å; P639-C643 VanDerWaalsContact O-N 3.16Å; R640-C643 PolarHBondContact O-N 2.89Å; C643-S648 WeakPolarHBondContact O-CB 3.49Å; C643-I897 HydrophobicContact CB-CG2 3.88Å
644	E	93.4	Very high	96.4	Very high	38 Å²	38	34 Å²	34	18%	0.178	17%	0.174	C	C	.	.	I	π-helix	trans	-103.4	-21.5	-169.6	-64.1	172.7	-116.9	0	0	112.4	R582 R640 N650	R582-E644 HydrophobicContact CB-CB 4.46Å; R582-E644 HydrophobicContact CB-CG 3.81Å; R582-E644 WeakPolarHBondContact CD-OE2 3.46Å; R582-E644 IonicContact CZ-OE2 2.8Å; R582-E644 IonicContact NE-OE2 3.76Å; R582-E644 IonicContact NH1-OE2 2.64Å; R582-E644 PolarHBondContact NH1-OE2 3.08Å; R640-E644 IonicContact CZ-OE1 3.8Å; R640-E644 IonicContact CZ-OE2 2.7Å; R640-E644 IonicContact NE-OE1 3.18Å; R640-E644 PolarHBondContact NE-OE1 2.75Å; R640-E644 VanDerWaalsContact NH2-CD 3.32Å; R640-E644 IonicContact NH2-OE1 3.88Å; R640-E644 PolarHBondContact NH2-OE1 3.25Å; R640-E644 IonicContact NH2-OE2 3.7Å; R640-E644 PolarHBondContact NH2-OE2 2.78Å; R640-E644 PolarHBondContact O-N 3.35Å; E644-N650 PolarHBondContact O-ND2 2.73Å
645	E	93.8	Very high	96.6	Very high	107 Å²	107	32.2 Å²	32.2	50%	0.5	16%	0.161	S	C	.	.	I	π-helix	trans	-114.7	-72.9	-175	-62.5	-66.3	164.9	0	0	113	L641 R655	L641-E645 HydrophobicContact CD1-CB 4.23Å; L641-E645 WeakPolarHBondContact O-CB 3.45Å; E645-R655 VanDerWaalsContact O-CZ 3.32Å; E645-R655 PolarHBondContact O-NE 3.45Å; E645-R655 PolarHBondContact O-NH2 2.69Å
646	L	95.5	Very high	96.7	Very high	14 Å²	14	32.2 Å²	32.2	7%	0.073	16%	0.161	C	C	.	.	I	π-helix	trans	-80.1	-36.3	-162.3	-60.2	-170.5	0	0	0	115.2	P550 W555 F610 L641 L642 R655	P550-L646 HydrophobicContact CB-CD1 4.39Å; P550-L646 HydrophobicContact CG-CD1 3.85Å; W555-L646 HydrophobicContact CB-CD1 4.14Å; W555-L646 HydrophobicContact CB-CD2 3.83Å; W555-L646 HydrophobicContact CE3-CD2 4.15Å; W555-L646 HydrophobicContact CG-CD1 4.34Å; W555-L646 HydrophobicContact CG-CD2 4.46Å; F610-L646 HydrophobicContact CE1-CB 4.37Å; F610-L646 HydrophobicContact CE1-CD1 4.4Å; F610-L646 HydrophobicContact CZ-CB 4.25Å; L641-L646 HydrophobicContact CD1-CD1 4.36Å; L641-L646 HydrophobicContact CD1-CG 4.13Å; L641-L646 HydrophobicContact CD2-CD1 4.49Å; L641-L646 HydrophobicContact CG-CD1 4.09Å; L641-L646 HydrophobicContact CG-CG 4.19Å; L641-L646 WeakPolarHBondContact O-CB 3.47Å; L641-L646 WeakPolarHBondContact O-CG 3.25Å; L641-L646 PolarHBondContact O-N 3.26Å; L642-L646 HydrophobicContact CD2-CB 4.24Å; L642-L646 HydrophobicContact CD2-CD1 4.31Å; L646-R655 WeakPolarHBondContact O-CD 3.38Å
647	C	97.1	Very high	96.8	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.02	15%	0.152	C	C	.	.	S	Bend	trans	-89.8	-32.1	176.5	-58.8	0	0	0	0	111.9	A605 V607 F610 L642 L649 I897	A605-C647 HydrophobicContact CB-CB 4.45Å; A605-C647 VanDerWaalsContact CB-O 3.25Å; A605-C647 WeakPolarHBondContact CB-O 3.25Å; V607-C647 HydrophobicContact CG2-CB 3.92Å; F610-C647 WeakPolarHBondContact CD2-SG 3.39Å; L642-C647 WeakPolarHBondContact O-CB 3.25Å; L642-C647 PolarHBondContact O-N 3.46Å; C647-L649 PolarHBondContact O-N 2.9Å; C647-I897 HydrophobicContact CB-CD1 3.93Å; C647-I897 HydrophobicContact CB-CG1 3.86Å
648	S	97.8	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-57.9	133.4	-177.1	-162.4	0	0	0	0	111.5	R582 L584 C643 N650 R655	R582-S648 PolarHBondContact O-OG 2.76Å; L584-S648 WeakPolarHBondContact CG-OG 3.3Å; L584-S648 PolarHBondContact N-OG 3.41Å; C643-S648 WeakPolarHBondContact O-CB 3.49Å; S648-N650 PolarHBondContact O-N 2.81Å; S648-N650 PolarHBondContact OG-OD1 3.33Å; S648-N650 VanDerWaalsContact OG-OD1 3.12Å; S648-R655 VanDerWaalsContact O-CD 3.25Å; S648-R655 WeakPolarHBondContact O-CD 3.05Å; S648-R655 PolarHBondContact O-NE 2.77Å
649	L	98.3	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.			trans	-77.9	44.9	-178.8	-56.8	-175	0	0	0	113.1	T575 L584 A587 H603 A605 C647 R655 T657 M680	T575-L649 HydrophobicContact CG2-CB 4.06Å; T575-L649 WeakPolarHBondContact CG2-O 3.34Å; L584-L649 HydrophobicContact CB-CB 4.33Å; L584-L649 WeakPolarHBondContact O-CG 3.37Å; L584-L649 PolarHBondContact O-N 3.2Å; A587-L649 HydrophobicContact CB-CD1 3.82Å; H603-L649 VanDerWaalsContact O-CD1 3.3Å; H603-L649 WeakPolarHBondContact O-CD1 3.14Å; A605-L649 HydrophobicContact CB-CD2 4.31Å; A605-L649 HydrophobicContact CB-CG 4.39Å; C647-L649 PolarHBondContact O-N 2.9Å; L649-R655 HydrophobicContact CD2-CB 3.78Å; L649-R655 HydrophobicContact CD2-CG 4.27Å; L649-T657 HydrophobicContact CD1-CG2 4.04Å; L649-T657 HydrophobicContact CD2-CG2 3.54Å; L649-T657 HydrophobicContact CG-CG2 4.47Å; L649-M680 HydrophobicContact CB-CE 4.25Å; L649-M680 HydrophobicContact CD1-CE 4.45Å; L649-M680 HydrophobicContact CD1-SD 4.07Å; L649-M680 HydrophobicContact CD2-CE 4.46Å; L649-M680 HydrophobicContact CD2-SD 4.11Å
650	N	97.6	Very high	96.9	Very high	34 Å²	34	30.7 Å²	30.7	18%	0.182	15%	0.151	C	C	.	.			trans	-53.1	143.4	179.1	-70	-19.6	0	0	0	111.7	E644 S648	E644-N650 PolarHBondContact O-ND2 2.73Å; S648-N650 PolarHBondContact O-N 2.81Å; S648-N650 PolarHBondContact OG-OD1 3.33Å; S648-N650 VanDerWaalsContact OG-OD1 3.12Å
651	P	97.2	Very high	97.1	Very high	39 Å²	39	24.2 Å²	24.2	25%	0.253	13%	0.127	S	C	.	.	B	Isolated β-bridge	trans	-69.5	164.3	-177.9	31.9	-36.2	0	0	0	112.2	T653 S682 K685	P651-T653 PolarHBondContact O-N 2.83Å; P651-T653 VanDerWaalsContact O-N 3.08Å; P651-T653 PolarHBondContact O-OG1 3.12Å; P651-S682 CarbonylContact C-O 3.6Å; P651-S682 VanDerWaalsContact CA-O 3.25Å; P651-S682 WeakPolarHBondContact CA-O 3.31Å; P651-K685 HydrophobicContact CB-CB 4.4Å; P651-K685 HydrophobicContact CG-CB 3.92Å
652	L	96.7	Very high	97.2	Very high	80 Å²	80	22 Å²	22	42%	0.419	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	23	175.7	-44.7	-174.4	0	0	0	113.9	H681 S682 D711	L652-H681 VanDerWaalsContact CA-NE2 3.3Å; L652-H681 WeakPolarHBondContact CA-NE2 3.21Å; L652-S682 PolarHBondContact N-O 3.05Å; L652-D711 HydrophobicContact CD2-CB 3.62Å
653	T	96.4	Very high	97.3	Very high	57 Å²	57	25 Å²	25	35%	0.35	13%	0.129	S	C	.	.	S	Bend	trans	-144	138.2	-175.6	-34.1	0	0	0	0	112.6	P651 H681	P651-T653 PolarHBondContact O-N 2.83Å; P651-T653 VanDerWaalsContact O-N 3.08Å; P651-T653 PolarHBondContact O-OG1 3.12Å; T653-H681 PolarHBondContact N-CE1 3.48Å; T653-H681 PolarHBondContact N-NE2 3.14Å
654	D	98	Very high	97.5	Very high	47 Å²	47	24.7 Å²	24.7	25%	0.251	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	132.7	173.2	-74.7	14.1	0	0	0	111.6	I557 R569 M680 H681	I557-D654 HydrophobicContact CD1-CB 3.76Å; R569-D654 WeakPolarHBondContact CD-OD1 3.38Å; R569-D654 WeakPolarHBondContact CD-OD2 3.2Å; R569-D654 IonicContact CZ-OD2 2.65Å; R569-D654 IonicContact NE-OD2 3.87Å; R569-D654 IonicContact NH1-OD2 2.66Å; R569-D654 PolarHBondContact NH1-OD2 3.4Å; D654-M680 CarbonylContact C-O 3.57Å; D654-M680 WeakPolarHBondContact CA-O 3.32Å; D654-H681 IonicContact OD1-CE1 2.72Å; D654-H681 IonicContact OD1-CG 3.87Å; D654-H681 IonicContact OD1-ND1 2.72Å; D654-H681 PolarHBondContact OD1-ND1 3.05Å
655	R	98	Very high	97.8	Very high	19 Å²	19	23.7 Å²	23.7	7%	0.072	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146	-179.2	-73.4	-68.9	179	-85.3	3.6	113.3	E645 L646 S648 L649 V679 M680	E645-R655 VanDerWaalsContact O-CZ 3.32Å; E645-R655 PolarHBondContact O-NE 3.45Å; E645-R655 PolarHBondContact O-NH2 2.69Å; L646-R655 WeakPolarHBondContact O-CD 3.38Å; S648-R655 VanDerWaalsContact O-CD 3.25Å; S648-R655 WeakPolarHBondContact O-CD 3.05Å; S648-R655 PolarHBondContact O-NE 2.77Å; L649-R655 HydrophobicContact CD2-CB 3.78Å; L649-R655 HydrophobicContact CD2-CG 4.27Å; R655-V679 WeakPolarHBondContact O-CA 3.3Å; R655-M680 HydrophobicContact CB-CG 4.35Å; R655-M680 PolarHBondContact N-O 3Å; R655-M680 PolarHBondContact O-N 3.26Å
656	L	98.6	Very high	98	Very high	6 Å²	6	21 Å²	21	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.8	176.8	-66.8	-174.4	0	0	0	110.8	W555 I557 D606 Y609 V679	W555-L656 HydrophobicContact CH2-CD1 3.83Å; W555-L656 HydrophobicContact CH2-CG 4.19Å; W555-L656 HydrophobicContact CZ2-CD1 4.43Å; I557-L656 HydrophobicContact CD1-CD2 3.88Å; I557-L656 HydrophobicContact CD1-CG 4.17Å; I557-L656 HydrophobicContact CG1-CD2 4.26Å; I557-L656 HydrophobicContact CG1-CG 4.29Å; I557-L656 HydrophobicContact CG2-CD2 3.77Å; I557-L656 HydrophobicContact CG2-CG 4.43Å; D606-L656 HydrophobicContact CB-CB 4.19Å; D606-L656 WeakPolarHBondContact CB-O 3.25Å; D606-L656 PolarHBondContact N-O 3.18Å; Y609-L656 HydrophobicContact CD1-CD1 3.56Å; Y609-L656 HydrophobicContact CD2-CD1 4.08Å; Y609-L656 HydrophobicContact CE1-CD1 3.73Å; Y609-L656 HydrophobicContact CE2-CD1 4.22Å; Y609-L656 HydrophobicContact CG-CD1 3.74Å; L656-V679 HydrophobicContact CD2-CG2 3.94Å
657	T	98.8	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	157.9	-179.1	44.9	0	0	0	0	113.9	H603 I604 L649 R677 S678 M680	H603-T657 HydrophobicContact CB-CG2 4.19Å; I604-T657 CarbonylContact O-C 3.49Å; I604-T657 WeakPolarHBondContact O-CA 3.25Å; I604-T657 VanDerWaalsContact O-CB 3.29Å; I604-T657 WeakPolarHBondContact O-CB 3.22Å; I604-T657 WeakPolarHBondContact O-CG2 3.3Å; L649-T657 HydrophobicContact CD1-CG2 4.04Å; L649-T657 HydrophobicContact CD2-CG2 3.54Å; L649-T657 HydrophobicContact CG-CG2 4.47Å; T657-R677 WeakPolarHBondContact O-CA 3.39Å; T657-S678 PolarHBondContact N-O 3.42Å; T657-S678 PolarHBondContact O-N 3.29Å; T657-S678 PolarHBondContact O-OG 2.97Å; T657-S678 PolarHBondContact OG1-OG 2.86Å; T657-M680 HydrophobicContact CG2-CG 3.73Å; T657-M680 HydrophobicContact CG2-SD 3.46Å; T657-M680 WeakPolarHBondContact CG2-SD 3.49Å
658	F	98.8	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.8	161.1	-148.7	-34.8	0	0	0	106.9	I604 G676 F893 H906 L909 A910 L913	I604-F658 PolarHBondContact N-O 3.35Å; I604-F658 PolarHBondContact O-N 2.93Å; F658-G676 WeakPolarHBondContact CD1-O 3.5Å; F658-F893 HydrophobicContact CB-CE2 4.35Å; F658-F893 HydrophobicContact CB-CZ 4.14Å; F658-F893 HydrophobicContact CD1-CZ 4.42Å; F658-F893 HydrophobicContact CD2-CE2 4.48Å; F658-F893 HydrophobicContact CG-CE2 4.23Å; F658-F893 HydrophobicContact CG-CZ 4.26Å; F658-H906 HydrophobicContact CD2-CB 4.48Å; F658-H906 AromaticContact CD2-ND1 3.78Å; F658-L909 HydrophobicContact CD1-CD2 3.97Å; F658-L909 HydrophobicContact CE1-CD2 3.51Å; F658-L909 HydrophobicContact CE1-CG 3.79Å; F658-L909 HydrophobicContact CE2-CB 4.01Å; F658-L909 HydrophobicContact CE2-CD2 4.17Å; F658-L909 HydrophobicContact CE2-CG 4.15Å; F658-L909 HydrophobicContact CZ-CB 3.81Å; F658-L909 HydrophobicContact CZ-CD2 3.64Å; F658-L909 HydrophobicContact CZ-CG 3.48Å; F658-L909 VanDerWaalsContact CZ-CG 3.48Å; F658-A910 HydrophobicContact CE2-CB 3.98Å; F658-A910 HydrophobicContact CZ-CB 4.47Å; F658-L913 HydrophobicContact CE1-CD1 3.82Å; F658-L913 HydrophobicContact CZ-CD1 3.9Å
659	S	98.8	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145	-174.3	-66.3	0	0	0	0	112.4	V602 H603 G676 S678	V602-S659 WeakPolarHBondContact O-CA 3.23Å; H603-S659 PolarHBondContact ND1-OG 3.08Å; S659-G676 PolarHBondContact N-O 3.35Å; S659-G676 PolarHBondContact O-N 2.77Å; S659-G676 VanDerWaalsContact O-N 3.1Å; S659-S678 WeakPolarHBondContact CB-OG 3.43Å; S659-S678 PolarHBondContact OG-OG 2.79Å
660	V	98.8	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.6	160.8	-165.7	0	0	0	0	106.9	V602 W662 W674 F675 V787 F893	V602-V660 PolarHBondContact N-O 3.17Å; V602-V660 PolarHBondContact O-N 3.37Å; V660-W662 HydrophobicContact CB-CH2 3.87Å; V660-W662 HydrophobicContact CB-CZ2 4.08Å; V660-W662 HydrophobicContact CB-CZ3 4.21Å; V660-W662 HydrophobicContact CG1-CD2 4.17Å; V660-W662 HydrophobicContact CG1-CE3 4.42Å; V660-W662 HydrophobicContact CG1-CH2 3.73Å; V660-W662 HydrophobicContact CG1-CZ2 3.4Å; V660-W662 VanDerWaalsContact CG1-CZ2 3.4Å; V660-W662 HydrophobicContact CG1-CZ3 4.21Å; V660-W674 WeakPolarHBondContact CA-O 3.34Å; V660-F675 HydrophobicContact CB-CD1 4.41Å; V660-F675 HydrophobicContact CG1-CD1 3.85Å; V660-F675 HydrophobicContact CG1-CE1 3.72Å; V660-F675 HydrophobicContact CG1-CZ 4.42Å; V660-F675 HydrophobicContact CG2-CD1 3.91Å; V660-F675 HydrophobicContact CG2-CE1 4.17Å; V660-V787 HydrophobicContact CG2-CG2 4.02Å; V660-F893 HydrophobicContact CG2-CE1 3.75Å; V660-F893 HydrophobicContact CG2-CZ 4.21Å
661	I	98.9	Very high	98	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.046	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.6	-178.8	-60	174.9	0	0	0	108	L568 E599 V600 K673 W674	L568-I661 HydrophobicContact CD1-CD1 4.09Å; L568-I661 HydrophobicContact CD2-CD1 4.42Å; E599-I661 HydrophobicContact CG-CG2 3.53Å; E599-I661 WeakPolarHBondContact OE2-CG2 3.45Å; V600-I661 WeakPolarHBondContact O-CA 3.33Å; I661-K673 CarbonylContact O-C 3.59Å; I661-K673 WeakPolarHBondContact O-CA 3.1Å; I661-W674 HydrophobicContact CB-CE3 4.19Å; I661-W674 HydrophobicContact CD1-CE3 3.81Å; I661-W674 HydrophobicContact CD1-CZ3 3.86Å; I661-W674 HydrophobicContact CG1-CE3 4.02Å; I661-W674 HydrophobicContact CG1-CZ3 4.35Å; I661-W674 PolarHBondContact N-O 2.86Å; I661-W674 PolarHBondContact O-N 3.19Å
662	W	98.8	Very high	98	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.3	178.5	-57.6	-96	0	0	0	111.4	E599 V600 V602 V660 L664 I670 D672 K673 L782 A783 A786	E599-W662 WeakPolarHBondContact CA-O 3.47Å; V600-W662 PolarHBondContact N-O 2.87Å; V600-W662 PolarHBondContact O-N 3.39Å; V602-W662 HydrophobicContact CB-CH2 4.19Å; V602-W662 HydrophobicContact CB-CZ3 3.93Å; V602-W662 HydrophobicContact CG2-CH2 4.03Å; V602-W662 HydrophobicContact CG2-CZ3 3.68Å; V660-W662 HydrophobicContact CB-CH2 3.87Å; V660-W662 HydrophobicContact CB-CZ2 4.08Å; V660-W662 HydrophobicContact CB-CZ3 4.21Å; V660-W662 HydrophobicContact CG1-CD2 4.17Å; V660-W662 HydrophobicContact CG1-CE3 4.42Å; V660-W662 HydrophobicContact CG1-CH2 3.73Å; V660-W662 HydrophobicContact CG1-CZ2 3.4Å; V660-W662 VanDerWaalsContact CG1-CZ2 3.4Å; V660-W662 HydrophobicContact CG1-CZ3 4.21Å; W662-L664 HydrophobicContact CB-CD2 3.54Å; W662-L664 HydrophobicContact CB-CG 3.9Å; W662-L664 HydrophobicContact CG-CD2 4.09Å; W662-I670 HydrophobicContact CG-CG1 4.48Å; W662-D672 WeakPolarHBondContact CA-O 3.07Å; W662-K673 HydrophobicContact CG-CB 4.42Å; W662-L782 HydrophobicContact CD2-CD2 4.09Å; W662-L782 HydrophobicContact CE3-CD2 4.31Å; W662-L782 HydrophobicContact CH2-CB 4.28Å; W662-L782 HydrophobicContact CH2-CD2 4.2Å; W662-L782 HydrophobicContact CH2-CG 4.22Å; W662-L782 HydrophobicContact CZ2-CB 4.17Å; W662-L782 HydrophobicContact CZ2-CD2 3.97Å; W662-L782 HydrophobicContact CZ2-CG 3.75Å; W662-L782 HydrophobicContact CZ3-CD2 4.38Å; W662-A783 HydrophobicContact CH2-CB 3.94Å; W662-A786 HydrophobicContact CZ2-CB 4.02Å
663	K	98.6	Very high	98	Very high	64 Å²	64	41 Å²	41	28%	0.278	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.8	154.1	-172.9	171.3	179.3	168.8	0	108.5	L593 D595 N597 F598 L671 D672	L593-K663 HydrophobicContact CD1-CD 3.93Å; L593-K663 HydrophobicContact CD1-CG 3.95Å; D595-K663 IonicContact OD1-NZ 3.26Å; D595-K663 PolarHBondContact OD1-NZ 2.84Å; D595-K663 VanDerWaalsContact OD2-CE 3.31Å; D595-K663 WeakPolarHBondContact OD2-CE 3.36Å; D595-K663 IonicContact OD2-NZ 3.48Å; D595-K663 PolarHBondContact OD2-NZ 3.19Å; N597-K663 HydrophobicContact CB-CG 4.27Å; F598-K663 CarbonylContact O-C 3.55Å; F598-K663 WeakPolarHBondContact O-CA 3.3Å; K663-L671 HydrophobicContact CB-CB 4.4Å; K663-L671 HydrophobicContact CD-CD1 4.49Å; K663-L671 HydrophobicContact CG-CB 4.35Å; K663-L671 HydrophobicContact CG-CD1 4.3Å; K663-L671 WeakPolarHBondContact O-CB 3.32Å; K663-L671 PolarHBondContact O-N 3.24Å; K663-D672 HydrophobicContact CB-CB 4.24Å; K663-D672 PolarHBondContact N-O 3.02Å; K663-D672 PolarHBondContact O-N 3.02Å
664	L	98.5	Very high	98.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.2	-178.3	-56.8	-174.9	0	0	0	111.4	N597 F598 V600 W662 K669 I670 I729 F779 L782	N597-L664 WeakPolarHBondContact CA-O 3.38Å; N597-L664 WeakPolarHBondContact CB-O 3.41Å; F598-L664 PolarHBondContact N-O 3.15Å; F598-L664 PolarHBondContact O-N 3.49Å; V600-L664 HydrophobicContact CB-CD1 4.03Å; V600-L664 HydrophobicContact CB-CG 4.49Å; V600-L664 HydrophobicContact CG1-CD1 4.49Å; V600-L664 HydrophobicContact CG2-CD1 3.92Å; V600-L664 HydrophobicContact CG2-CG 4.43Å; W662-L664 HydrophobicContact CB-CD2 3.54Å; W662-L664 HydrophobicContact CB-CG 3.9Å; W662-L664 HydrophobicContact CG-CD2 4.09Å; L664-K669 WeakPolarHBondContact CA-O 3.26Å; L664-I670 HydrophobicContact CD2-CB 4.27Å; L664-I670 HydrophobicContact CD2-CG1 3.69Å; L664-I729 HydrophobicContact CD1-CG2 3.96Å; L664-F779 HydrophobicContact CD1-CE1 4.27Å; L664-L782 HydrophobicContact CD1-CD2 4.43Å
665	T	98.4	Very high	98.2	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.098	20%	0.198	C	C	.	.			trans	-74.1	166.2	161.1	74	0	0	0	0	110.7	N597 E667 G668 K669 L671	N597-T665 WeakPolarHBondContact OD1-CA 3.45Å; T665-E667 WeakPolarHBondContact CB-OE2 3.43Å; T665-E667 PolarHBondContact O-N 3.11Å; T665-E667 VanDerWaalsContact O-N 3.14Å; T665-E667 PolarHBondContact OG1-N 3.21Å; T665-E667 PolarHBondContact OG1-OE2 2.74Å; T665-G668 WeakPolarHBondContact O-CA 3.43Å; T665-G668 PolarHBondContact O-N 3.47Å; T665-K669 HydrophobicContact CG2-CB 4.06Å; T665-K669 PolarHBondContact N-O 2.91Å; T665-K669 WeakPolarHBondContact OG1-CB 3.48Å; T665-K669 PolarHBondContact OG1-N 2.92Å; T665-L671 HydrophobicContact CG2-CD1 3.96Å; T665-L671 HydrophobicContact CG2-CD2 3.76Å; T665-L671 HydrophobicContact CG2-CG 3.9Å
666	P	97.7	Very high	98.2	Very high	51 Å²	51	40.5 Å²	40.5	33%	0.331	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.4	173.5	-24.9	35.2	0	0	0	113.9	F598 G668 N732	F598-P666 HydrophobicContact CE2-CB 4.2Å; F598-P666 HydrophobicContact CE2-CG 4.09Å; P666-G668 PolarHBondContact O-N 3.36Å; P666-N732 PolarHBondContact O-ND2 3.39Å
667	E	96.6	Very high	98.2	Very high	100 Å²	100	41.8 Å²	41.8	47%	0.467	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	3.1	174.4	-46.6	73.4	-156.1	0	0	113	T665 Q736	T665-E667 WeakPolarHBondContact CB-OE2 3.43Å; T665-E667 PolarHBondContact O-N 3.11Å; T665-E667 VanDerWaalsContact O-N 3.14Å; T665-E667 PolarHBondContact OG1-N 3.21Å; T665-E667 PolarHBondContact OG1-OE2 2.74Å; E667-Q736 PolarHBondContact O-NE2 3.31Å
668	G	96.3	Very high	98.2	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	20%	0.2	C	C	.	.			trans	80.4	9.1	-179.6	0	0	0	0	0	115.4	T665 P666 I670 L733	T665-G668 WeakPolarHBondContact O-CA 3.43Å; T665-G668 PolarHBondContact O-N 3.47Å; P666-G668 PolarHBondContact O-N 3.36Å; G668-I670 PolarHBondContact O-N 2.84Å; G668-L733 WeakPolarHBondContact O-CD2 3.25Å
669	K	97.2	Very high	98.2	Very high	135 Å²	135	41.8 Å²	41.8	59%	0.587	20%	0.2	S	C	*	.			trans	-71.7	123.6	178.1	-177.9	-175.5	174.6	-175	0	110.4	L664 T665 L671	L664-K669 WeakPolarHBondContact CA-O 3.26Å; T665-K669 HydrophobicContact CG2-CB 4.06Å; T665-K669 PolarHBondContact N-O 2.91Å; T665-K669 WeakPolarHBondContact OG1-CB 3.48Å; T665-K669 PolarHBondContact OG1-N 2.92Å; K669-L671 PolarHBondContact O-N 3.11Å
670	I	98	Very high	98.1	Very high	68 Å²	68	41.8 Å²	41.8	35%	0.349	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	124.1	172.9	-59.5	170.3	0	0	0	110.3	W662 L664 G668 K673 L782	W662-I670 HydrophobicContact CG-CG1 4.48Å; L664-I670 HydrophobicContact CD2-CB 4.27Å; L664-I670 HydrophobicContact CD2-CG1 3.69Å; G668-I670 PolarHBondContact O-N 2.84Å; I670-K673 HydrophobicContact CG2-CB 4.46Å; I670-L782 HydrophobicContact CD1-CD1 4.07Å
671	L	98	Very high	98.1	Very high	85 Å²	85	43.5 Å²	43.5	45%	0.445	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-42.9	169.5	-58.8	-176.8	0	0	0	111.5	N597 K663 T665 K669	N597-L671 WeakPolarHBondContact OD1-CD1 3.49Å; K663-L671 HydrophobicContact CB-CB 4.4Å; K663-L671 HydrophobicContact CD-CD1 4.49Å; K663-L671 HydrophobicContact CG-CB 4.35Å; K663-L671 HydrophobicContact CG-CD1 4.3Å; K663-L671 WeakPolarHBondContact O-CB 3.32Å; K663-L671 PolarHBondContact O-N 3.24Å; T665-L671 HydrophobicContact CG2-CD1 3.96Å; T665-L671 HydrophobicContact CG2-CD2 3.76Å; T665-L671 HydrophobicContact CG2-CG 3.9Å; K669-L671 PolarHBondContact O-N 3.11Å
672	D	97.8	Very high	98.1	Very high	111 Å²	111	43 Å²	43	59%	0.594	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.7	175.6	-171.1	25.9	0	0	0	111	W662 K663	W662-D672 WeakPolarHBondContact CA-O 3.07Å; K663-D672 HydrophobicContact CB-CB 4.24Å; K663-D672 PolarHBondContact N-O 3.02Å; K663-D672 PolarHBondContact O-N 3.02Å
673	K	97.8	Very high	98	Very high	87 Å²	87	43 Å²	43	38%	0.378	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	135.4	178.3	67.4	-175.6	179.6	178.7	0	113.7	I661 W662 I670 F675	I661-K673 CarbonylContact O-C 3.59Å; I661-K673 WeakPolarHBondContact O-CA 3.1Å; W662-K673 HydrophobicContact CG-CB 4.42Å; I670-K673 HydrophobicContact CG2-CB 4.46Å; K673-F675 HydrophobicContact CD-CE2 3.97Å; K673-F675 HydrophobicContact CD-CZ 4.13Å; K673-F675 HydrophobicContact CG-CE2 4.11Å
674	W	98.6	Very high	98	Very high	91 Å²	91	39.9 Å²	39.9	35%	0.345	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.2	174.4	-179.7	87	0	0	0	110.7	R566 V660 I661	R566-W674 HydrophobicContact CB-CH2 3.69Å; R566-W674 HydrophobicContact CB-CZ2 4.04Å; R566-W674 HydrophobicContact CG-CH2 4.39Å; V660-W674 WeakPolarHBondContact CA-O 3.34Å; I661-W674 HydrophobicContact CB-CE3 4.19Å; I661-W674 HydrophobicContact CD1-CE3 3.81Å; I661-W674 HydrophobicContact CD1-CZ3 3.86Å; I661-W674 HydrophobicContact CG1-CE3 4.02Å; I661-W674 HydrophobicContact CG1-CZ3 4.35Å; I661-W674 PolarHBondContact N-O 2.86Å; I661-W674 PolarHBondContact O-N 3.19Å
675	F	98.6	Very high	97.9	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.079	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.4	172.2	-56.8	-95.4	0	0	0	107.9	V660 K673 A786 V787 H790 L909 L913	V660-F675 HydrophobicContact CB-CD1 4.41Å; V660-F675 HydrophobicContact CG1-CD1 3.85Å; V660-F675 HydrophobicContact CG1-CE1 3.72Å; V660-F675 HydrophobicContact CG1-CZ 4.42Å; V660-F675 HydrophobicContact CG2-CD1 3.91Å; V660-F675 HydrophobicContact CG2-CE1 4.17Å; K673-F675 HydrophobicContact CD-CE2 3.97Å; K673-F675 HydrophobicContact CD-CZ 4.13Å; K673-F675 HydrophobicContact CG-CE2 4.11Å; F675-A786 HydrophobicContact CE1-CB 4.14Å; F675-A786 HydrophobicContact CZ-CB 4.03Å; F675-A786 WeakPolarHBondContact CZ-O 3.43Å; F675-V787 HydrophobicContact CD1-CG2 4.14Å; F675-V787 HydrophobicContact CE1-CG2 3.79Å; F675-H790 AromaticContact CD2-ND1 3.44Å; F675-H790 WeakPolarHBondContact CD2-ND1 3.32Å; F675-H790 HydrophobicContact CE2-CB 4.38Å; F675-H790 AromaticContact CE2-ND1 3.37Å; F675-H790 WeakPolarHBondContact CE2-ND1 3.48Å; F675-H790 HydrophobicContact CZ-CB 4.13Å; F675-H790 AromaticContact CZ-ND1 3.97Å; F675-L909 HydrophobicContact CD1-CD1 4.22Å; F675-L909 HydrophobicContact CD1-CD2 4.27Å; F675-L913 HydrophobicContact CB-CD1 3.87Å; F675-L913 HydrophobicContact CB-CD2 4.44Å; F675-L913 WeakPolarHBondContact O-CD1 3.43Å
676	G	98.1	Very high	97.9	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	170.4	173.9	0	0	0	0	0	114.7	F658 S659	F658-G676 WeakPolarHBondContact CD1-O 3.5Å; S659-G676 PolarHBondContact N-O 3.35Å; S659-G676 PolarHBondContact O-N 2.77Å; S659-G676 VanDerWaalsContact O-N 3.1Å
677	R	98.6	Very high	97.8	Very high	34 Å²	34	39 Å²	39	13%	0.128	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.5	172.5	-77.9	179.7	143.2	138.5	2.2	110.7	R565 R566 D606 S608 T657 L915	R565-R677 HydrophobicContact CG-CB 4.03Å; R566-R677 PolarHBondContact N-O 3.09Å; D606-R677 IonicContact OD1-CZ 3.21Å; D606-R677 IonicContact OD1-NE 2.88Å; D606-R677 IonicContact OD1-NH2 3.91Å; D606-R677 PolarHBondContact OD1-NH2 3.19Å; D606-R677 IonicContact OD2-CZ 3.61Å; D606-R677 IonicContact OD2-NE 3.71Å; D606-R677 PolarHBondContact OD2-NE 3.04Å; D606-R677 IonicContact OD2-NH2 3.41Å; D606-R677 PolarHBondContact OD2-NH2 2.93Å; S608-R677 PolarHBondContact OG-NH2 3.12Å; T657-R677 WeakPolarHBondContact O-CA 3.39Å; R677-L915 HydrophobicContact CB-CD1 4.26Å; R677-L915 HydrophobicContact CG-CD1 4.21Å; R677-L915 PolarHBondContact NH1-O 2.8Å
678	S	98.6	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	165.9	-174.3	43.7	0	0	0	0	111.6	R565 R566 T657 S659	R565-S678 PolarHBondContact NH1-O 3.05Å; R566-S678 WeakPolarHBondContact O-CA 3.16Å; R566-S678 VanDerWaalsContact O-CB 3.23Å; R566-S678 WeakPolarHBondContact O-CB 3.41Å; T657-S678 PolarHBondContact N-O 3.42Å; T657-S678 PolarHBondContact O-N 3.29Å; T657-S678 PolarHBondContact O-OG 2.97Å; T657-S678 PolarHBondContact OG1-OG 2.86Å; S659-S678 WeakPolarHBondContact CB-OG 3.43Å; S659-S678 PolarHBondContact OG-OG 2.79Å
679	V	98.6	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.8	160.4	-169.3	0	0	0	0	107	I557 I562 R565 R566 L568 R569 R655 L656	I557-V679 HydrophobicContact CD1-CG1 3.57Å; I562-V679 HydrophobicContact CG1-CG2 4.45Å; I562-V679 HydrophobicContact CG2-CG2 4.45Å; R565-V679 HydrophobicContact CB-CG2 3.94Å; R565-V679 HydrophobicContact CG-CG2 4.46Å; R566-V679 PolarHBondContact O-N 3.07Å; R566-V679 VanDerWaalsContact O-N 3.08Å; L568-V679 WeakPolarHBondContact CA-O 3.18Å; L568-V679 WeakPolarHBondContact CB-O 3.43Å; L568-V679 PolarHBondContact N-O 3.04Å; R569-V679 HydrophobicContact CG-CB 4.46Å; R569-V679 HydrophobicContact CG-CG1 4Å; R655-V679 WeakPolarHBondContact O-CA 3.3Å; L656-V679 HydrophobicContact CD2-CG2 3.94Å
680	M	98.3	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	164.9	177.1	60.1	166.7	-90.5	0	0	110.9	I573 A587 H603 L649 D654 R655 T657	I573-M680 HydrophobicContact CD1-CB 3.71Å; I573-M680 HydrophobicContact CG2-CE 3.49Å; I573-M680 VanDerWaalsContact CG2-CE 3.49Å; I573-M680 HydrophobicContact CG2-SD 3.92Å; A587-M680 HydrophobicContact CB-CE 3.79Å; A587-M680 HydrophobicContact CB-SD 4.05Å; H603-M680 HydrophobicContact CB-SD 3.8Å; L649-M680 HydrophobicContact CB-CE 4.25Å; L649-M680 HydrophobicContact CD1-CE 4.45Å; L649-M680 HydrophobicContact CD1-SD 4.07Å; L649-M680 HydrophobicContact CD2-CE 4.46Å; L649-M680 HydrophobicContact CD2-SD 4.11Å; D654-M680 CarbonylContact C-O 3.57Å; D654-M680 WeakPolarHBondContact CA-O 3.32Å; R655-M680 HydrophobicContact CB-CG 4.35Å; R655-M680 PolarHBondContact N-O 3Å; R655-M680 PolarHBondContact O-N 3.26Å; T657-M680 HydrophobicContact CG2-CG 3.73Å; T657-M680 HydrophobicContact CG2-SD 3.46Å; T657-M680 WeakPolarHBondContact CG2-SD 3.49Å
681	H	98.3	Very high	97.4	Very high	35 Å²	35	30 Å²	30	16%	0.162	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.5	169.2	-164.3	100.6	0	0	0	106.1	R569 L652 T653 D654 C683 D711	R569-H681 HydrophobicContact CB-CB 3.9Å; R569-H681 HydrophobicContact CG-CB 4.05Å; L652-H681 VanDerWaalsContact CA-NE2 3.3Å; L652-H681 WeakPolarHBondContact CA-NE2 3.21Å; T653-H681 PolarHBondContact N-CE1 3.48Å; T653-H681 PolarHBondContact N-NE2 3.14Å; D654-H681 IonicContact OD1-CE1 2.72Å; D654-H681 IonicContact OD1-CG 3.87Å; D654-H681 IonicContact OD1-ND1 2.72Å; D654-H681 PolarHBondContact OD1-ND1 3.05Å; H681-C683 PolarHBondContact O-N 2.86Å; H681-D711 IonicContact NE2-OD2 3.61Å
682	S	98.1	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113.5	-179.2	178.5	0	0	0	0	108.9	I573 P651 L652 V684	I573-S682 CarbonylContact O-C 3.53Å; I573-S682 WeakPolarHBondContact O-CA 3.48Å; P651-S682 CarbonylContact C-O 3.6Å; P651-S682 VanDerWaalsContact CA-O 3.25Å; P651-S682 WeakPolarHBondContact CA-O 3.31Å; L652-S682 PolarHBondContact N-O 3.05Å; S682-V684 VanDerWaalsContact C-N 3.31Å; S682-V684 PolarHBondContact O-N 3.19Å; S682-V684 PolarHBondContact OG-O 2.83Å
683	C	97.8	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-25.5	-176	66.5	0	0	0	0	112.8	I573 H681 I710 D711 H714	I573-C683 PolarHBondContact O-N 2.97Å; I573-C683 PolarHBondContact O-SG 2.8Å; H681-C683 PolarHBondContact O-N 2.86Å; C683-I710 CarbonylContact O-C 3.42Å; C683-I710 WeakPolarHBondContact O-CA 3.46Å; C683-D711 HydrophobicContact CB-CB 4.12Å; C683-D711 PolarHBondContact O-N 2.82Å; C683-H714 HydrophobicContact CB-CB 4.08Å
684	V	97.6	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	146.6	176.9	62.9	0	0	0	0	111.7	F574 T575 S682 L686 P708 I710 I719	F574-V684 WeakPolarHBondContact CA-O 3.27Å; F574-V684 HydrophobicContact CB-CG1 3.64Å; F574-V684 WeakPolarHBondContact CB-O 3.2Å; F574-V684 HydrophobicContact CG-CG1 4.46Å; T575-V684 PolarHBondContact N-O 3.34Å; S682-V684 VanDerWaalsContact C-N 3.31Å; S682-V684 PolarHBondContact O-N 3.19Å; S682-V684 PolarHBondContact OG-O 2.83Å; V684-L686 HydrophobicContact CG1-CD2 4.05Å; V684-L686 HydrophobicContact CG1-CG 4.02Å; V684-L686 HydrophobicContact CG2-CD2 3.9Å; V684-L686 HydrophobicContact CG2-CG 4.44Å; V684-P708 HydrophobicContact CG2-CB 4.47Å; V684-P708 HydrophobicContact CG2-CG 3.72Å; V684-I710 HydrophobicContact CB-CG1 4.31Å; V684-I710 HydrophobicContact CG2-CG1 4.1Å; V684-I719 HydrophobicContact CG1-CD1 3.88Å; V684-I719 HydrophobicContact CG1-CG1 4.43Å; V684-I719 HydrophobicContact CG1-CG2 4.07Å
685	K	97.3	Very high	97.1	Very high	40 Å²	40	16.8 Å²	16.8	17%	0.174	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	100.6	164.5	-174.5	-155.9	173.2	-173	0	109.2	T575 P578 A579 A581 L584 P651 P708	T575-K685 WeakPolarHBondContact OG1-CG 3.43Å; P578-K685 PolarHBondContact O-NZ 2.91Å; A579-K685 PolarHBondContact O-NZ 2.89Å; A579-K685 VanDerWaalsContact O-NZ 3.15Å; A581-K685 PolarHBondContact O-NZ 2.94Å; L584-K685 HydrophobicContact CD1-CD 3.99Å; L584-K685 HydrophobicContact CD1-CG 3.91Å; L584-K685 HydrophobicContact CD2-CD 4.4Å; P651-K685 HydrophobicContact CB-CB 4.4Å; P651-K685 HydrophobicContact CG-CB 3.92Å; K685-P708 WeakPolarHBondContact O-CG 3.48Å
686	L	97.4	Very high	97	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	150.9	173.1	-59.7	176.4	0	0	0	110.6	F574 T575 I576 D577 V684 H690 L694 L707 P708 I719 V723	F574-L686 HydrophobicContact CD2-CD1 4.18Å; T575-L686 WeakPolarHBondContact O-CB 3.27Å; T575-L686 PolarHBondContact O-N 3.38Å; I576-L686 HydrophobicContact CG1-CB 4.28Å; I576-L686 HydrophobicContact CG1-CD1 4.31Å; D577-L686 PolarHBondContact N-O 3.09Å; D577-L686 VanDerWaalsContact N-O 3.12Å; V684-L686 HydrophobicContact CG1-CD2 4.05Å; V684-L686 HydrophobicContact CG1-CG 4.02Å; V684-L686 HydrophobicContact CG2-CD2 3.9Å; V684-L686 HydrophobicContact CG2-CG 4.44Å; L686-H690 HydrophobicContact CB-CB 4.46Å; L686-H690 HydrophobicContact CD2-CB 4.25Å; L686-L694 HydrophobicContact CD1-CD1 4.07Å; L686-L707 HydrophobicContact CD2-CD2 4.41Å; L686-P708 HydrophobicContact CD2-CG 4.31Å; L686-I719 HydrophobicContact CD1-CG2 4.17Å; L686-V723 HydrophobicContact CD1-CG2 3.93Å
687	S	96.4	Very high	96.7	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.042	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	161.1	163	76.2	0	0	0	0	109.7	D577 D689 H690 A691	D577-S687 CarbonylContact O-C 3.54Å; D577-S687 WeakPolarHBondContact O-CA 3.41Å; S687-D689 PolarHBondContact O-N 2.7Å; S687-D689 PolarHBondContact OG-N 3.39Å; S687-H690 PolarHBondContact N-ND1 3.49Å; S687-H690 WeakPolarHBondContact O-CA 3.49Å; S687-H690 WeakPolarHBondContact O-CB 3.47Å; S687-H690 PolarHBondContact O-N 2.98Å; S687-H690 PolarHBondContact OG-CD2 2.93Å; S687-H690 PolarHBondContact OG-CE1 3.16Å; S687-H690 PolarHBondContact OG-N 2.99Å; S687-H690 VanDerWaalsContact OG-N 3.09Å; S687-H690 PolarHBondContact OG-ND1 3.43Å; S687-H690 PolarHBondContact OG-NE2 3.09Å; S687-A691 PolarHBondContact O-N 3.34Å
688	Y	94.9	Very high	96.4	Very high	20 Å²	20	24.9 Å²	24.9	8%	0.078	13%	0.128	C	C	.	.	H	α-helix	trans	-53.2	-41.4	168	-71.4	-45.5	0	0	0	112.6	D148 I576 D577 P578 H690 A691 Q692 C772 N773 V776	D148-Y688 HydrophobicContact CB-CE2 4.49Å; D148-Y688 VanDerWaalsContact CB-OH 3.24Å; D148-Y688 WeakPolarHBondContact CB-OH 3.42Å; I576-Y688 HydrophobicContact CG2-CD1 3.61Å; I576-Y688 HydrophobicContact CG2-CE1 3.78Å; I576-Y688 WeakPolarHBondContact O-CE1 3.45Å; I576-Y688 PolarHBondContact O-OH 2.92Å; D577-Y688 PolarHBondContact O-N 2.83Å; P578-Y688 HydrophobicContact CG-CD2 4.3Å; P578-Y688 HydrophobicContact CG-CE2 3.88Å; Y688-H690 VanDerWaalsContact C-N 3.28Å; Y688-H690 PolarHBondContact O-N 3.03Å; Y688-A691 PolarHBondContact O-N 3.29Å; Y688-Q692 WeakPolarHBondContact O-CB 3.4Å; Y688-Q692 PolarHBondContact O-N 3.13Å; Y688-C772 VanDerWaalsContact CB-SG 3.59Å; Y688-C772 HydrophobicContact CD1-CB 4Å; Y688-C772 PolarHBondContact O-SG 2.89Å; Y688-N773 VanDerWaalsContact CD2-ND2 3.27Å; Y688-N773 WeakPolarHBondContact CD2-ND2 3.36Å; Y688-N773 WeakPolarHBondContact CE2-ND2 3.2Å; Y688-V776 HydrophobicContact CE1-CG2 4.13Å
689	D	93.8	Very high	96	Very high	48 Å²	48	34.2 Å²	34.2	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-60.3	-36.2	174.6	-110.9	18.6	0	0	0	111.2	R137 S687 Q693 R770	R137-D689 IonicContact CZ-OD2 3.98Å; R137-D689 IonicContact NH1-OD2 3.68Å; R137-D689 PolarHBondContact NH1-OD2 3.22Å; R137-D689 IonicContact NH2-OD2 3.97Å; R137-D689 PolarHBondContact NH2-OD2 3.34Å; S687-D689 PolarHBondContact O-N 2.7Å; S687-D689 PolarHBondContact OG-N 3.39Å; D689-Q693 VanDerWaalsContact O-CG 3.3Å; D689-Q693 WeakPolarHBondContact O-CG 3.35Å; D689-Q693 PolarHBondContact O-N 2.67Å; D689-Q693 PolarHBondContact O-NE2 3.32Å; D689-R770 IonicContact OD1-CZ 3.52Å; D689-R770 IonicContact OD1-NH1 2.69Å; D689-R770 PolarHBondContact OD1-NH1 3.47Å
690	H	95.3	Very high	95.6	Very high	50 Å²	50	38.8 Å²	38.8	23%	0.231	19%	0.189	C	C	.	.	H	α-helix	trans	-73.9	-49.3	177.3	-52.4	156.3	0	0	0	111.8	L686 S687 Y688 Q692 Q693 L694 L707 P708	L686-H690 HydrophobicContact CB-CB 4.46Å; L686-H690 HydrophobicContact CD2-CB 4.25Å; S687-H690 PolarHBondContact N-ND1 3.49Å; S687-H690 WeakPolarHBondContact O-CA 3.49Å; S687-H690 WeakPolarHBondContact O-CB 3.47Å; S687-H690 PolarHBondContact O-N 2.98Å; S687-H690 PolarHBondContact OG-CD2 2.93Å; S687-H690 PolarHBondContact OG-CE1 3.16Å; S687-H690 PolarHBondContact OG-N 2.99Å; S687-H690 VanDerWaalsContact OG-N 3.09Å; S687-H690 PolarHBondContact OG-ND1 3.43Å; S687-H690 PolarHBondContact OG-NE2 3.09Å; Y688-H690 VanDerWaalsContact C-N 3.28Å; Y688-H690 PolarHBondContact O-N 3.03Å; H690-Q692 VanDerWaalsContact C-N 3.28Å; H690-Q692 PolarHBondContact O-N 2.98Å; H690-Q693 PolarHBondContact O-N 2.87Å; H690-Q693 VanDerWaalsContact O-N 3.15Å; H690-L694 WeakPolarHBondContact O-CG 3.38Å; H690-L694 PolarHBondContact O-N 2.77Å; H690-L707 HydrophobicContact CB-CD2 4.34Å; H690-P708 WeakPolarHBondContact ND1-CD 3.47Å; H690-P708 WeakPolarHBondContact ND1-CG 3.35Å
691	A	96.6	Very high	94.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-34.8	179.4	0	0	0	0	0	112.2	I576 S687 Y688 L694 I695 C772	I576-A691 HydrophobicContact CD1-CB 4.05Å; I576-A691 HydrophobicContact CG1-CB 4.42Å; I576-A691 HydrophobicContact CG2-CB 3.58Å; S687-A691 PolarHBondContact O-N 3.34Å; Y688-A691 PolarHBondContact O-N 3.29Å; A691-L694 PolarHBondContact O-N 2.81Å; A691-I695 VanDerWaalsContact O-CG1 3.3Å; A691-I695 WeakPolarHBondContact O-CG1 3.47Å; A691-I695 PolarHBondContact O-N 3.26Å; A691-I695 VanDerWaalsContact O-N 3.07Å; A691-C772 HydrophobicContact CB-CB 3.84Å
692	Q	96.6	Very high	94.4	Very high	11 Å²	11	44.2 Å²	44.2	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-42.3	173.6	-171.5	64.3	24.4	0	0	111.8	Y688 H690 L694 I695 E696 R770 C772	Y688-Q692 WeakPolarHBondContact O-CB 3.4Å; Y688-Q692 PolarHBondContact O-N 3.13Å; H690-Q692 VanDerWaalsContact C-N 3.28Å; H690-Q692 PolarHBondContact O-N 2.98Å; Q692-L694 VanDerWaalsContact C-N 3.35Å; Q692-L694 PolarHBondContact O-N 2.89Å; Q692-I695 WeakPolarHBondContact O-CB 3.3Å; Q692-I695 PolarHBondContact O-N 3.36Å; Q692-I695 VanDerWaalsContact O-N 3.16Å; Q692-E696 HydrophobicContact CG-CG 4.35Å; Q692-E696 VanDerWaalsContact CG-OE1 3.26Å; Q692-E696 WeakPolarHBondContact CG-OE1 3.45Å; Q692-E696 PolarHBondContact NE2-OE1 3.3Å; Q692-E696 WeakPolarHBondContact O-CB 3.32Å; Q692-E696 WeakPolarHBondContact O-CG 3.28Å; Q692-E696 PolarHBondContact O-N 2.88Å; Q692-R770 HydrophobicContact CG-CB 4.27Å; Q692-C772 HydrophobicContact CB-CB 4.25Å
693	Q	95.5	Very high	93.7	Very high	72 Å²	72	46.6 Å²	46.6	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-41.5	175.8	-75.5	169.3	84.6	0	0	112.1	D689 H690 I695 E696 A697 F702	D689-Q693 VanDerWaalsContact O-CG 3.3Å; D689-Q693 WeakPolarHBondContact O-CG 3.35Å; D689-Q693 PolarHBondContact O-N 2.67Å; D689-Q693 PolarHBondContact O-NE2 3.32Å; H690-Q693 PolarHBondContact O-N 2.87Å; H690-Q693 VanDerWaalsContact O-N 3.15Å; Q693-I695 VanDerWaalsContact C-N 3.31Å; Q693-I695 PolarHBondContact O-N 3.02Å; Q693-E696 PolarHBondContact O-N 2.93Å; Q693-A697 PolarHBondContact O-N 2.88Å; Q693-A697 VanDerWaalsContact O-N 3.09Å; Q693-F702 HydrophobicContact CB-CE1 4.19Å; Q693-F702 HydrophobicContact CB-CZ 4.34Å; Q693-F702 WeakPolarHBondContact O-CZ 3.45Å
694	L	95.6	Very high	92.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-39.9	173.7	-66.5	175.9	0	0	0	111.8	L686 H690 A691 Q692 F702 H720 V723	L686-L694 HydrophobicContact CD1-CD1 4.07Å; H690-L694 WeakPolarHBondContact O-CG 3.38Å; H690-L694 PolarHBondContact O-N 2.77Å; A691-L694 PolarHBondContact O-N 2.81Å; Q692-L694 VanDerWaalsContact C-N 3.35Å; Q692-L694 PolarHBondContact O-N 2.89Å; L694-F702 HydrophobicContact CD2-CD1 4.42Å; L694-F702 HydrophobicContact CD2-CD2 3.76Å; L694-F702 HydrophobicContact CD2-CE1 4.42Å; L694-F702 HydrophobicContact CD2-CE2 3.79Å; L694-F702 HydrophobicContact CD2-CG 4.11Å; L694-F702 HydrophobicContact CD2-CZ 4.13Å; L694-H720 HydrophobicContact CD2-CB 4.15Å; L694-H720 PolarHBondContact O-CD2 2.57Å; L694-H720 PolarHBondContact O-NE2 3.16Å; L694-V723 HydrophobicContact CB-CG1 4.15Å; L694-V723 HydrophobicContact CD1-CB 4.4Å; L694-V723 HydrophobicContact CD1-CG1 4.46Å; L694-V723 HydrophobicContact CD1-CG2 4.13Å
695	I	96.9	Very high	92	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.072	30%	0.3	C	S	.	.	H	α-helix	trans	-68.5	-41.3	176.6	-72.3	165.9	0	0	0	112.3	A691 Q692 Q693 V723 H727 D771 C772 L775	A691-I695 VanDerWaalsContact O-CG1 3.3Å; A691-I695 WeakPolarHBondContact O-CG1 3.47Å; A691-I695 PolarHBondContact O-N 3.26Å; A691-I695 VanDerWaalsContact O-N 3.07Å; Q692-I695 WeakPolarHBondContact O-CB 3.3Å; Q692-I695 PolarHBondContact O-N 3.36Å; Q692-I695 VanDerWaalsContact O-N 3.16Å; Q693-I695 VanDerWaalsContact C-N 3.31Å; Q693-I695 PolarHBondContact O-N 3.02Å; I695-V723 HydrophobicContact CD1-CG1 4.38Å; I695-V723 HydrophobicContact CG1-CG1 3.97Å; I695-H727 HydrophobicContact CD1-CB 4.03Å; I695-H727 HydrophobicContact CG1-CB 4.03Å; I695-H727 WeakPolarHBondContact CG2-ND1 3.3Å; I695-D771 HydrophobicContact CD1-CB 4.23Å; I695-D771 HydrophobicContact CG2-CB 4.13Å; I695-C772 HydrophobicContact CD1-CB 4.44Å; I695-L775 HydrophobicContact CD1-CD1 4.24Å
696	E	96.3	Very high	91.4	Very high	129 Å²	129	60.5 Å²	60.5	60%	0.603	31%	0.311	S	S	*	.	H	α-helix	trans	-76.3	-25.1	-175.3	-75	174.6	-174.6	0	0	113.7	Q692 Q693 P698	Q692-E696 HydrophobicContact CG-CG 4.35Å; Q692-E696 VanDerWaalsContact CG-OE1 3.26Å; Q692-E696 WeakPolarHBondContact CG-OE1 3.45Å; Q692-E696 PolarHBondContact NE2-OE1 3.3Å; Q692-E696 WeakPolarHBondContact O-CB 3.32Å; Q692-E696 WeakPolarHBondContact O-CG 3.28Å; Q692-E696 PolarHBondContact O-N 2.88Å; Q693-E696 PolarHBondContact O-N 2.93Å; E696-P698 VanDerWaalsContact C-CD 3.42Å; E696-P698 WeakPolarHBondContact O-CD 3.49Å
697	A	93.6	Very high	90.9	Very high	29 Å²	29	61.6 Å²	61.6	24%	0.24	32%	0.317	C	S	.	.			trans	-122.2	64.9	-178.7	0	0	0	0	0	112.4	Q693 E699 R700 F702 H720	Q693-A697 PolarHBondContact O-N 2.88Å; Q693-A697 VanDerWaalsContact O-N 3.09Å; A697-E699 VanDerWaalsContact C-N 3.26Å; A697-E699 PolarHBondContact O-N 2.85Å; A697-R700 HydrophobicContact CB-CB 3.67Å; A697-R700 WeakPolarHBondContact O-CB 3.46Å; A697-R700 PolarHBondContact O-N 3.24Å; A697-R700 VanDerWaalsContact O-N 3.1Å; A697-F702 HydrophobicContact CB-CE2 4.24Å; A697-F702 HydrophobicContact CB-CZ 4.03Å; A697-H720 PolarHBondContact O-CE1 3.09Å
698	P	91.2	Very high	90.7	Very high	66 Å²	66	62.6 Å²	62.6	43%	0.429	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.9	-172.4	28.1	-36.9	0	0	0	114.8	E696 L724	E696-P698 VanDerWaalsContact C-CD 3.42Å; E696-P698 WeakPolarHBondContact O-CD 3.49Å; P698-L724 HydrophobicContact CB-CD1 3.87Å; P698-L724 HydrophobicContact CB-CD2 3.88Å
699	E	90.9	Very high	90.6	Very high	196 Å²	196	66.4 Å²	66.4	92%	0.916	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	0.9	177.2	-62.4	-179.4	179.9	0	0	112.8	A697	A697-E699 VanDerWaalsContact C-N 3.26Å; A697-E699 PolarHBondContact O-N 2.85Å
700	R	89.1	Confident	90.6	Very high	96 Å²	96	66.2 Å²	66.2	36%	0.362	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-88.5	124.1	-178.2	180	-179.1	-172.2	-136.4	-1.9	110.5	A697 F702 E706 H720	A697-R700 HydrophobicContact CB-CB 3.67Å; A697-R700 WeakPolarHBondContact O-CB 3.46Å; A697-R700 PolarHBondContact O-N 3.24Å; A697-R700 VanDerWaalsContact O-N 3.1Å; R700-F702 HydrophobicContact CB-CD2 4.39Å; R700-F702 HydrophobicContact CB-CE2 3.97Å; R700-F702 HydrophobicContact CG-CD2 4.24Å; R700-F702 HydrophobicContact CG-CE2 4.1Å; R700-F702 HydrophobicContact CG-CZ 4.47Å; R700-F702 WeakPolarHBondContact O-CD2 3.29Å; R700-F702 PolarHBondContact O-N 2.94Å; R700-E706 IonicContact CZ-OE1 2.73Å; R700-E706 IonicContact CZ-OE2 3.68Å; R700-E706 IonicContact NH1-OE1 3.33Å; R700-E706 IonicContact NH1-OE2 2.81Å; R700-E706 PolarHBondContact NH1-OE2 2.85Å; R700-E706 IonicContact NH2-OE1 3.44Å; R700-E706 PolarHBondContact NH2-OE1 3.46Å; R700-E706 IonicContact NH2-OE2 3.64Å; R700-E706 PolarHBondContact NH2-OE2 2.74Å; R700-H720 PolarHBondContact O-CE1 3.43Å
701	L	84.5	Confident	90.4	Very high	135 Å²	135	65.8 Å²	65.8	71%	0.707	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-70.4	120.5	161	-61	175.6	0	0	0	109.1
702	F	86.3	Confident	90.2	Very high	14 Å²	14	70.8 Å²	70.8	6%	0.061	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-91	127.3	177.4	-76.5	-100.2	0	0	0	110.1	Q693 L694 A697 R700 L707 V716 H720	Q693-F702 HydrophobicContact CB-CE1 4.19Å; Q693-F702 HydrophobicContact CB-CZ 4.34Å; Q693-F702 WeakPolarHBondContact O-CZ 3.45Å; L694-F702 HydrophobicContact CD2-CD1 4.42Å; L694-F702 HydrophobicContact CD2-CD2 3.76Å; L694-F702 HydrophobicContact CD2-CE1 4.42Å; L694-F702 HydrophobicContact CD2-CE2 3.79Å; L694-F702 HydrophobicContact CD2-CG 4.11Å; L694-F702 HydrophobicContact CD2-CZ 4.13Å; A697-F702 HydrophobicContact CB-CE2 4.24Å; A697-F702 HydrophobicContact CB-CZ 4.03Å; R700-F702 HydrophobicContact CB-CD2 4.39Å; R700-F702 HydrophobicContact CB-CE2 3.97Å; R700-F702 HydrophobicContact CG-CD2 4.24Å; R700-F702 HydrophobicContact CG-CE2 4.1Å; R700-F702 HydrophobicContact CG-CZ 4.47Å; R700-F702 WeakPolarHBondContact O-CD2 3.29Å; R700-F702 PolarHBondContact O-N 2.94Å; F702-L707 HydrophobicContact CB-CD1 4.24Å; F702-V716 HydrophobicContact CB-CG1 3.88Å; F702-H720 AromaticContact CD2-CE1 3.99Å; F702-H720 AromaticContact CE2-CE1 3.77Å
703	P	83.4	Confident	90	Very high	50 Å²	50	76.6 Å²	76.6	33%	0.325	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-68.6	144.9	170.6	30.4	-33.4	0	0	0	109.5	D705 E706	P703-D705 PolarHBondContact O-N 2.82Å; P703-D705 VanDerWaalsContact O-N 3.11Å; P703-E706 HydrophobicContact CG-CB 4.13Å; P703-E706 HydrophobicContact CG-CG 3.84Å; P703-E706 WeakPolarHBondContact CG-OE1 3.25Å; P703-E706 PolarHBondContact O-N 3.45Å; P703-E706 VanDerWaalsContact O-N 3.07Å
704	P	77.6	Confident	90	Very high	87 Å²	87	74.3 Å²	74.3	57%	0.565	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-53.6	-33.8	179.4	-28.6	36	0	0	0	113.8	E706 L707 V716	P704-E706 PolarHBondContact O-N 3.36Å; P704-L707 PolarHBondContact O-N 2.97Å; P704-V716 HydrophobicContact CG-CG2 4.37Å
705	D	82.8	Confident	89.9	Confident	157 Å²	157	78 Å²	78	84%	0.84	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-66.4	-15.5	-178.7	-52.2	-37.4	0	0	0	114.5	P703	P703-D705 PolarHBondContact O-N 2.82Å; P703-D705 VanDerWaalsContact O-N 3.11Å
706	E	85.3	Confident	89.7	Confident	89 Å²	89	78.3 Å²	78.3	42%	0.416	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-89.3	-5.8	173.8	-79.3	-177.6	-132.3	0	0	113.3	R700 P703 P704	R700-E706 IonicContact CZ-OE1 2.73Å; R700-E706 IonicContact CZ-OE2 3.68Å; R700-E706 IonicContact NH1-OE1 3.33Å; R700-E706 IonicContact NH1-OE2 2.81Å; R700-E706 PolarHBondContact NH1-OE2 2.85Å; R700-E706 IonicContact NH2-OE1 3.44Å; R700-E706 PolarHBondContact NH2-OE1 3.46Å; R700-E706 IonicContact NH2-OE2 3.64Å; R700-E706 PolarHBondContact NH2-OE2 2.74Å; P703-E706 HydrophobicContact CG-CB 4.13Å; P703-E706 HydrophobicContact CG-CG 3.84Å; P703-E706 WeakPolarHBondContact CG-OE1 3.25Å; P703-E706 PolarHBondContact O-N 3.45Å; P703-E706 VanDerWaalsContact O-N 3.07Å; P704-E706 PolarHBondContact O-N 3.36Å
707	L	85.9	Confident	89.6	Confident	24 Å²	24	76 Å²	76	13%	0.126	42%	0.423	C	S	.	.	S	Bend	trans	-114.7	156.9	-179.5	-72.1	173.1	0	0	0	111.2	L686 H690 F702 P704 I710 V716	L686-L707 HydrophobicContact CD2-CD2 4.41Å; H690-L707 HydrophobicContact CB-CD2 4.34Å; F702-L707 HydrophobicContact CB-CD1 4.24Å; P704-L707 PolarHBondContact O-N 2.97Å; L707-I710 HydrophobicContact CB-CD1 4.2Å; L707-I710 HydrophobicContact CD1-CD1 4.1Å; L707-V716 HydrophobicContact CD1-CB 4.5Å; L707-V716 HydrophobicContact CD1-CG1 3.65Å; L707-V716 HydrophobicContact CD1-CG2 4.17Å
708	P	92.4	Very high	89.7	Confident	26 Å²	26	78.4 Å²	78.4	17%	0.169	43%	0.429	C	S	.	.	S	Bend	trans	-67.9	158.9	171.8	28.5	-31.5	0	0	0	110.3	V684 K685 L686 H690 I710	V684-P708 HydrophobicContact CG2-CB 4.47Å; V684-P708 HydrophobicContact CG2-CG 3.72Å; K685-P708 WeakPolarHBondContact O-CG 3.48Å; L686-P708 HydrophobicContact CD2-CG 4.31Å; H690-P708 WeakPolarHBondContact ND1-CD 3.47Å; H690-P708 WeakPolarHBondContact ND1-CG 3.35Å; P708-I710 WeakPolarHBondContact O-CG1 3.35Å; P708-I710 PolarHBondContact O-N 2.9Å
709	P	93	Very high	89.9	Confident	101 Å²	101	75.3 Å²	75.3	66%	0.656	41%	0.409	S	S	*	.			trans	-50	130.8	-173.8	-29.8	35.9	0	0	0	114
710	I	93.1	Very high	90.2	Very high	43 Å²	43	66.1 Å²	66.1	22%	0.221	37%	0.366	C	S	.	.			trans	-115.1	145.2	-175.4	-47.6	-177	0	0	0	109.1	C683 V684 L707 P708 V716 I719	C683-I710 CarbonylContact O-C 3.42Å; C683-I710 WeakPolarHBondContact O-CA 3.46Å; V684-I710 HydrophobicContact CB-CG1 4.31Å; V684-I710 HydrophobicContact CG2-CG1 4.1Å; L707-I710 HydrophobicContact CB-CD1 4.2Å; L707-I710 HydrophobicContact CD1-CD1 4.1Å; P708-I710 WeakPolarHBondContact O-CG1 3.35Å; P708-I710 PolarHBondContact O-N 2.9Å; I710-V716 HydrophobicContact CD1-CG2 3.66Å; I710-I719 HydrophobicContact CD1-CD1 4.24Å; I710-I719 HydrophobicContact CG2-CD1 3.43Å; I710-I719 VanDerWaalsContact CG2-CD1 3.43Å
711	D	92.8	Very high	90.6	Very high	42 Å²	42	65.7 Å²	65.7	23%	0.225	37%	0.368	C	S	.	.			trans	-66.4	147.1	172.9	-167.6	-94.9	0	0	0	112.7	L652 H681 C683 E713 H714	L652-D711 HydrophobicContact CD2-CB 3.62Å; H681-D711 IonicContact NE2-OD2 3.61Å; C683-D711 HydrophobicContact CB-CB 4.12Å; C683-D711 PolarHBondContact O-N 2.82Å; D711-E713 VanDerWaalsContact C-N 3.34Å; D711-E713 PolarHBondContact O-N 2.97Å; D711-E713 PolarHBondContact OD1-N 2.93Å; D711-H714 PolarHBondContact O-N 2.75Å; D711-H714 VanDerWaalsContact O-O 3.1Å
712	A	91.1	Very high	91.2	Very high	104 Å²	104	59.5 Å²	59.5	86%	0.86	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-15.4	-176.5	0	0	0	0	0	114.8	H714	A712-H714 VanDerWaalsContact C-N 3.32Å
713	E	93.6	Very high	91.8	Very high	134 Å²	134	58.8 Å²	58.8	63%	0.626	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.9	172.7	-65	-161.5	-174	0	0	112.8	D711	D711-E713 VanDerWaalsContact C-N 3.34Å; D711-E713 PolarHBondContact O-N 2.97Å; D711-E713 PolarHBondContact OD1-N 2.93Å
714	H	94.8	Very high	92.5	Very high	24 Å²	24	57.8 Å²	57.8	11%	0.111	33%	0.325	C	S	.	.	S	Bend	trans	-120	147.3	-176.1	-72.1	-65.1	0	0	0	113.6	C572 C683 D711 A712 E718	C572-H714 PolarHBondContact N-CE1 2.96Å; C683-H714 HydrophobicContact CB-CB 4.08Å; D711-H714 PolarHBondContact O-N 2.75Å; D711-H714 VanDerWaalsContact O-O 3.1Å; A712-H714 VanDerWaalsContact C-N 3.32Å; H714-E718 IonicContact CE1-OE1 3.75Å; H714-E718 IonicContact CE1-OE2 2.76Å; H714-E718 IonicContact CG-OE2 3.95Å; H714-E718 IonicContact ND1-OE1 3.98Å; H714-E718 IonicContact ND1-OE2 3.55Å; H714-E718 PolarHBondContact ND1-OE2 2.87Å
715	T	93.6	Very high	93.5	Very high	78 Å²	78	55.7 Å²	55.7	48%	0.479	31%	0.308	S	S	.	.			trans	-100.7	152.3	-177.9	62.7	0	0	0	0	112.6	D717 E718 I719	T715-D717 PolarHBondContact O-N 3.24Å; T715-E718 PolarHBondContact O-N 2.91Å; T715-E718 VanDerWaalsContact OG1-CB 3.26Å; T715-E718 WeakPolarHBondContact OG1-CB 3.34Å; T715-E718 PolarHBondContact OG1-N 2.99Å; T715-E718 VanDerWaalsContact OG1-N 3.13Å; T715-I719 PolarHBondContact O-N 3.18Å; T715-I719 VanDerWaalsContact O-N 3.16Å
716	V	93.4	Very high	94.2	Very high	20 Å²	20	48.2 Å²	48.2	12%	0.121	27%	0.268	C	S	.	.	H	α-helix	trans	-52.7	-44.3	170.6	173.8	0	0	0	0	110.7	F702 P704 L707 I710 I719 H720	F702-V716 HydrophobicContact CB-CG1 3.88Å; P704-V716 HydrophobicContact CG-CG2 4.37Å; L707-V716 HydrophobicContact CD1-CB 4.5Å; L707-V716 HydrophobicContact CD1-CG1 3.65Å; L707-V716 HydrophobicContact CD1-CG2 4.17Å; I710-V716 HydrophobicContact CD1-CG2 3.66Å; V716-I719 PolarHBondContact O-N 2.68Å; V716-H720 VanDerWaalsContact O-CB 3.27Å; V716-H720 WeakPolarHBondContact O-CB 3.04Å; V716-H720 PolarHBondContact O-N 2.86Å
717	D	93.1	Very high	94.9	Very high	80 Å²	80	45.6 Å²	45.6	43%	0.428	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-39.7	-178.7	-58.9	-50.3	0	0	0	112.2	T715 H720 Q721	T715-D717 PolarHBondContact O-N 3.24Å; D717-H720 PolarHBondContact O-N 3.32Å; D717-Q721 WeakPolarHBondContact O-CB 3.27Å; D717-Q721 VanDerWaalsContact O-CG 3.3Å; D717-Q721 WeakPolarHBondContact O-CG 3.4Å; D717-Q721 PolarHBondContact O-N 2.82Å
718	E	95.4	Very high	95.5	Very high	80 Å²	80	47.5 Å²	47.5	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-48.4	175.5	-177.3	-178.8	-163.2	0	0	111.6	C572 H714 T715 H720 Q721 A722	C572-E718 HydrophobicContact CB-CG 4.03Å; C572-E718 WeakPolarHBondContact CB-OE1 3.4Å; H714-E718 IonicContact CE1-OE1 3.75Å; H714-E718 IonicContact CE1-OE2 2.76Å; H714-E718 IonicContact CG-OE2 3.95Å; H714-E718 IonicContact ND1-OE1 3.98Å; H714-E718 IonicContact ND1-OE2 3.55Å; H714-E718 PolarHBondContact ND1-OE2 2.87Å; T715-E718 PolarHBondContact O-N 2.91Å; T715-E718 VanDerWaalsContact OG1-CB 3.26Å; T715-E718 WeakPolarHBondContact OG1-CB 3.34Å; T715-E718 PolarHBondContact OG1-N 2.99Å; T715-E718 VanDerWaalsContact OG1-N 3.13Å; E718-H720 VanDerWaalsContact C-N 3.34Å; E718-H720 PolarHBondContact O-N 2.83Å; E718-Q721 PolarHBondContact O-N 2.88Å; E718-A722 WeakPolarHBondContact O-CB 3.27Å; E718-A722 PolarHBondContact O-N 2.84Å
719	I	96.6	Very high	95.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-42.6	177.4	-64.8	157.5	0	0	0	110.4	F574 V684 L686 I710 T715 V716 A722 V723	F574-I719 HydrophobicContact CD1-CG2 4.11Å; F574-I719 HydrophobicContact CE1-CG2 4.3Å; V684-I719 HydrophobicContact CG1-CD1 3.88Å; V684-I719 HydrophobicContact CG1-CG1 4.43Å; V684-I719 HydrophobicContact CG1-CG2 4.07Å; L686-I719 HydrophobicContact CD1-CG2 4.17Å; I710-I719 HydrophobicContact CD1-CD1 4.24Å; I710-I719 HydrophobicContact CG2-CD1 3.43Å; I710-I719 VanDerWaalsContact CG2-CD1 3.43Å; T715-I719 PolarHBondContact O-N 3.18Å; T715-I719 VanDerWaalsContact O-N 3.16Å; V716-I719 PolarHBondContact O-N 2.68Å; I719-A722 PolarHBondContact O-N 2.65Å; I719-V723 WeakPolarHBondContact O-CG2 3.41Å; I719-V723 PolarHBondContact O-N 2.86Å
720	H	96.8	Very high	96	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.014	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-49.3	177.9	-173.3	-171.9	0	0	0	111.6	L694 A697 R700 F702 V716 D717 E718 A722 V723 L724	L694-H720 HydrophobicContact CD2-CB 4.15Å; L694-H720 PolarHBondContact O-CD2 2.57Å; L694-H720 PolarHBondContact O-NE2 3.16Å; A697-H720 PolarHBondContact O-CE1 3.09Å; R700-H720 PolarHBondContact O-CE1 3.43Å; F702-H720 AromaticContact CD2-CE1 3.99Å; F702-H720 AromaticContact CE2-CE1 3.77Å; V716-H720 VanDerWaalsContact O-CB 3.27Å; V716-H720 WeakPolarHBondContact O-CB 3.04Å; V716-H720 PolarHBondContact O-N 2.86Å; D717-H720 PolarHBondContact O-N 3.32Å; E718-H720 VanDerWaalsContact C-N 3.34Å; E718-H720 PolarHBondContact O-N 2.83Å; H720-A722 VanDerWaalsContact C-N 3.35Å; H720-A722 PolarHBondContact O-N 2.92Å; H720-V723 PolarHBondContact O-N 2.84Å; H720-L724 WeakPolarHBondContact O-CG 3.49Å; H720-L724 PolarHBondContact O-N 2.99Å
721	Q	96.7	Very high	96.3	Very high	87 Å²	87	44.7 Å²	44.7	41%	0.407	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-39.1	176.4	-66.8	-53.5	-56.3	0	0	111.9	D717 E718 V723 L724 H725	D717-Q721 WeakPolarHBondContact O-CB 3.27Å; D717-Q721 VanDerWaalsContact O-CG 3.3Å; D717-Q721 WeakPolarHBondContact O-CG 3.4Å; D717-Q721 PolarHBondContact O-N 2.82Å; E718-Q721 PolarHBondContact O-N 2.88Å; Q721-V723 PolarHBondContact O-N 2.87Å; Q721-L724 PolarHBondContact O-N 2.89Å; Q721-H725 WeakPolarHBondContact O-CB 3.27Å; Q721-H725 VanDerWaalsContact O-CG 3.24Å; Q721-H725 PolarHBondContact O-N 2.85Å; Q721-H725 PolarHBondContact O-ND1 2.88Å
722	A	98.1	Very high	96.5	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-44	174.8	0	0	0	0	0	112.1	F574 C590 E718 I719 H720 H725 L726	F574-A722 HydrophobicContact CE1-CB 3.66Å; F574-A722 HydrophobicContact CZ-CB 3.84Å; C590-A722 HydrophobicContact CB-CB 4.47Å; E718-A722 WeakPolarHBondContact O-CB 3.27Å; E718-A722 PolarHBondContact O-N 2.84Å; I719-A722 PolarHBondContact O-N 2.65Å; H720-A722 VanDerWaalsContact C-N 3.35Å; H720-A722 PolarHBondContact O-N 2.92Å; A722-H725 PolarHBondContact O-N 3.01Å; A722-L726 WeakPolarHBondContact O-CB 3.22Å; A722-L726 VanDerWaalsContact O-CG 3.25Å; A722-L726 WeakPolarHBondContact O-CG 3.01Å; A722-L726 PolarHBondContact O-N 2.89Å
723	V	98.4	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-42.2	174.6	170.2	0	0	0	0	111.7	F574 L686 L694 I695 I719 H720 Q721 L726 H727 L775	F574-V723 HydrophobicContact CE2-CG2 3.75Å; F574-V723 HydrophobicContact CZ-CG2 3.76Å; L686-V723 HydrophobicContact CD1-CG2 3.93Å; L694-V723 HydrophobicContact CB-CG1 4.15Å; L694-V723 HydrophobicContact CD1-CB 4.4Å; L694-V723 HydrophobicContact CD1-CG1 4.46Å; L694-V723 HydrophobicContact CD1-CG2 4.13Å; I695-V723 HydrophobicContact CD1-CG1 4.38Å; I695-V723 HydrophobicContact CG1-CG1 3.97Å; I719-V723 WeakPolarHBondContact O-CG2 3.41Å; I719-V723 PolarHBondContact O-N 2.86Å; H720-V723 PolarHBondContact O-N 2.84Å; Q721-V723 PolarHBondContact O-N 2.87Å; V723-L726 PolarHBondContact O-N 2.98Å; V723-H727 WeakPolarHBondContact O-CB 3.44Å; V723-H727 PolarHBondContact O-N 2.9Å; V723-L775 HydrophobicContact CG1-CD1 4.23Å
724	L	98.3	Very high	97	Very high	29 Å²	29	36.3 Å²	36.3	15%	0.152	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-41.8	177	-70.1	174.2	0	0	0	112.5	P698 H720 Q721 H727 S728	P698-L724 HydrophobicContact CB-CD1 3.87Å; P698-L724 HydrophobicContact CB-CD2 3.88Å; H720-L724 WeakPolarHBondContact O-CG 3.49Å; H720-L724 PolarHBondContact O-N 2.99Å; Q721-L724 PolarHBondContact O-N 2.89Å; L724-H727 PolarHBondContact O-N 2.98Å; L724-S728 WeakPolarHBondContact O-CB 3.45Å; L724-S728 PolarHBondContact O-N 3.22Å
725	H	98.4	Very high	97.1	Very high	43 Å²	43	38.1 Å²	38.1	20%	0.199	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-45.6	174.8	-68.4	133.9	0	0	0	111.9	C590 F598 Q721 A722 H727 S728 I729	C590-H725 VanDerWaalsContact SG-CB 3.56Å; F598-H725 HydrophobicContact CD1-CB 4.33Å; F598-H725 HydrophobicContact CE1-CB 3.88Å; F598-H725 AromaticContact CE1-CD2 3.41Å; F598-H725 VanDerWaalsContact CE1-CD2 3.41Å; F598-H725 WeakPolarHBondContact CE1-CD2 3.47Å; F598-H725 AromaticContact CE1-CG 3.49Å; F598-H725 VanDerWaalsContact CE1-CG 3.49Å; F598-H725 AromaticContact CE1-ND1 3.93Å; F598-H725 AromaticContact CE1-NE2 3.82Å; F598-H725 HydrophobicContact CZ-CB 4.49Å; F598-H725 AromaticContact CZ-CD2 3.6Å; Q721-H725 WeakPolarHBondContact O-CB 3.27Å; Q721-H725 VanDerWaalsContact O-CG 3.24Å; Q721-H725 PolarHBondContact O-N 2.85Å; Q721-H725 PolarHBondContact O-ND1 2.88Å; A722-H725 PolarHBondContact O-N 3.01Å; H725-H727 PolarHBondContact O-N 3.23Å; H725-S728 PolarHBondContact O-N 3.24Å; H725-I729 WeakPolarHBondContact O-CG1 3.46Å; H725-I729 PolarHBondContact O-N 3.26Å
726	L	98.7	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-46.1	174.6	-73.6	167.2	0	0	0	111.5	F574 L588 C590 V600 A722 V723 S728 I729 A730 L775 F779	F574-L726 HydrophobicContact CE2-CD1 3.94Å; F574-L726 HydrophobicContact CZ-CD1 3.75Å; L588-L726 HydrophobicContact CB-CD1 3.95Å; L588-L726 HydrophobicContact CD1-CD1 4.2Å; C590-L726 HydrophobicContact CB-CD1 4.23Å; C590-L726 HydrophobicContact CB-CD2 3.76Å; C590-L726 HydrophobicContact CB-CG 3.61Å; V600-L726 HydrophobicContact CG1-CD2 3.96Å; A722-L726 WeakPolarHBondContact O-CB 3.22Å; A722-L726 VanDerWaalsContact O-CG 3.25Å; A722-L726 WeakPolarHBondContact O-CG 3.01Å; A722-L726 PolarHBondContact O-N 2.89Å; V723-L726 PolarHBondContact O-N 2.98Å; L726-S728 PolarHBondContact O-N 2.78Å; L726-I729 PolarHBondContact O-N 3.49Å; L726-A730 VanDerWaalsContact O-CB 3.24Å; L726-A730 WeakPolarHBondContact O-CB 3.43Å; L726-A730 PolarHBondContact O-N 2.97Å; L726-L775 HydrophobicContact CB-CD1 3.83Å; L726-L775 HydrophobicContact CB-CD2 3.9Å; L726-L775 HydrophobicContact CB-CG 3.89Å; L726-L775 HydrophobicContact CD1-CD2 4.37Å; L726-F779 HydrophobicContact CB-CE2 3.89Å; L726-F779 HydrophobicContact CB-CZ 4.4Å; L726-F779 HydrophobicContact CD2-CD2 4.02Å; L726-F779 HydrophobicContact CD2-CE1 4.26Å; L726-F779 HydrophobicContact CD2-CE2 3.46Å; L726-F779 VanDerWaalsContact CD2-CE2 3.46Å; L726-F779 HydrophobicContact CD2-CZ 3.6Å; L726-F779 HydrophobicContact CG-CE2 4.28Å; L726-F779 WeakPolarHBondContact O-CE2 3.41Å
727	H	98.6	Very high	97.5	Very high	33 Å²	33	39.3 Å²	39.3	15%	0.153	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-47.5	175.9	169.5	-140	0	0	0	111.9	I695 V723 L724 H725 I729 A730 K731 D771 L775	I695-H727 HydrophobicContact CD1-CB 4.03Å; I695-H727 HydrophobicContact CG1-CB 4.03Å; I695-H727 WeakPolarHBondContact CG2-ND1 3.3Å; V723-H727 WeakPolarHBondContact O-CB 3.44Å; V723-H727 PolarHBondContact O-N 2.9Å; L724-H727 PolarHBondContact O-N 2.98Å; H725-H727 PolarHBondContact O-N 3.23Å; H727-I729 PolarHBondContact O-N 2.61Å; H727-A730 PolarHBondContact O-N 2.66Å; H727-K731 WeakPolarHBondContact O-CB 3.35Å; H727-K731 PolarHBondContact O-N 3.25Å; H727-D771 IonicContact NE2-OD2 3.62Å; H727-L775 HydrophobicContact CB-CD1 4.11Å
728	S	98.4	Very high	97.6	Very high	65 Å²	65	36.9 Å²	36.9	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-58.5	-47.8	179.1	-172.2	0	0	0	0	111.9	L724 H725 L726 K731 N732	L724-S728 WeakPolarHBondContact O-CB 3.45Å; L724-S728 PolarHBondContact O-N 3.22Å; H725-S728 PolarHBondContact O-N 3.24Å; L726-S728 PolarHBondContact O-N 2.78Å; S728-K731 PolarHBondContact O-N 2.68Å; S728-N732 PolarHBondContact O-N 2.88Å; S728-N732 PolarHBondContact O-ND2 2.77Å
729	I	98.7	Very high	97.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-45.6	177.9	-66.2	165.1	0	0	0	110.9	F598 V600 L664 H725 L726 H727 K731 N732 L733 F779	F598-I729 HydrophobicContact CB-CD1 4.06Å; F598-I729 HydrophobicContact CD1-CD1 4.39Å; F598-I729 HydrophobicContact CD2-CD1 3.77Å; F598-I729 HydrophobicContact CD2-CG1 4.48Å; F598-I729 HydrophobicContact CE2-CD1 4.32Å; F598-I729 HydrophobicContact CG-CD1 3.81Å; V600-I729 HydrophobicContact CG2-CD1 4.15Å; L664-I729 HydrophobicContact CD1-CG2 3.96Å; H725-I729 WeakPolarHBondContact O-CG1 3.46Å; H725-I729 PolarHBondContact O-N 3.26Å; L726-I729 PolarHBondContact O-N 3.49Å; H727-I729 PolarHBondContact O-N 2.61Å; I729-K731 VanDerWaalsContact C-N 3.29Å; I729-K731 PolarHBondContact O-N 3.18Å; I729-N732 PolarHBondContact O-N 3.17Å; I729-N732 VanDerWaalsContact O-N 3.13Å; I729-L733 HydrophobicContact CG2-CD1 4.07Å; I729-L733 HydrophobicContact CG2-CG 4.33Å; I729-L733 WeakPolarHBondContact O-CG 3.41Å; I729-L733 PolarHBondContact O-N 3.38Å; I729-F779 HydrophobicContact CB-CZ 4.01Å; I729-F779 HydrophobicContact CG2-CE1 3.89Å; I729-F779 HydrophobicContact CG2-CZ 3.75Å
730	A	98.4	Very high	97.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-36.4	177.6	0	0	0	0	0	112.3	L726 H727 N732 L733 R734 E778 F779	L726-A730 VanDerWaalsContact O-CB 3.24Å; L726-A730 WeakPolarHBondContact O-CB 3.43Å; L726-A730 PolarHBondContact O-N 2.97Å; H727-A730 PolarHBondContact O-N 2.66Å; A730-N732 VanDerWaalsContact C-N 3.33Å; A730-N732 PolarHBondContact O-N 3.41Å; A730-L733 PolarHBondContact O-N 3.35Å; A730-R734 WeakPolarHBondContact O-CB 3.47Å; A730-R734 PolarHBondContact O-N 2.82Å; A730-E778 HydrophobicContact CB-CB 4.15Å; A730-E778 HydrophobicContact CB-CG 4.24Å; A730-F779 HydrophobicContact CB-CE2 3.92Å; A730-F779 HydrophobicContact CB-CZ 4.41Å
731	K	98.3	Very high	97.6	Very high	108 Å²	108	42.2 Å²	42.2	47%	0.47	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-40.7	174.7	-162.4	168.4	-161	127.8	0	111.8	H727 S728 I729 A735	H727-K731 WeakPolarHBondContact O-CB 3.35Å; H727-K731 PolarHBondContact O-N 3.25Å; S728-K731 PolarHBondContact O-N 2.68Å; I729-K731 VanDerWaalsContact C-N 3.29Å; I729-K731 PolarHBondContact O-N 3.18Å; K731-A735 WeakPolarHBondContact O-CB 3.48Å; K731-A735 PolarHBondContact O-N 3.35Å; K731-A735 VanDerWaalsContact O-N 3.09Å
732	N	98.3	Very high	97.6	Very high	58 Å²	58	38 Å²	38	31%	0.31	21%	0.214	S	C	.	.	H	α-helix	trans	-70	-41.9	175.7	-67.9	-30.5	0	0	0	112.5	P666 S728 I729 A730 A735 Q736	P666-N732 PolarHBondContact O-ND2 3.39Å; S728-N732 PolarHBondContact O-N 2.88Å; S728-N732 PolarHBondContact O-ND2 2.77Å; I729-N732 PolarHBondContact O-N 3.17Å; I729-N732 VanDerWaalsContact O-N 3.13Å; A730-N732 VanDerWaalsContact C-N 3.33Å; A730-N732 PolarHBondContact O-N 3.41Å; N732-A735 PolarHBondContact O-N 2.97Å; N732-Q736 WeakPolarHBondContact O-CG 3.49Å; N732-Q736 PolarHBondContact O-N 2.74Å; N732-Q736 PolarHBondContact O-NE2 3Å
733	L	97.9	Very high	97.4	Very high	20 Å²	20	38 Å²	38	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-48.4	173.7	-72.6	174.2	0	0	0	111.6	G668 I729 A730 A735 Q736 R737 E778 F779 L782	G668-L733 WeakPolarHBondContact O-CD2 3.25Å; I729-L733 HydrophobicContact CG2-CD1 4.07Å; I729-L733 HydrophobicContact CG2-CG 4.33Å; I729-L733 WeakPolarHBondContact O-CG 3.41Å; I729-L733 PolarHBondContact O-N 3.38Å; A730-L733 PolarHBondContact O-N 3.35Å; L733-A735 PolarHBondContact O-N 3.45Å; L733-Q736 PolarHBondContact O-N 3.18Å; L733-R737 WeakPolarHBondContact O-CB 3.35Å; L733-R737 PolarHBondContact O-N 3.16Å; L733-E778 HydrophobicContact CB-CB 4.04Å; L733-E778 HydrophobicContact CB-CG 4.29Å; L733-E778 HydrophobicContact CD1-CB 4.13Å; L733-F779 HydrophobicContact CD1-CD1 4.36Å; L733-F779 HydrophobicContact CD1-CE1 4.01Å; L733-L782 HydrophobicContact CD1-CD2 4.4Å
734	R	97.1	Very high	97	Very high	27 Å²	27	38.8 Å²	38.8	10%	0.102	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-46.8	176.7	-178.6	171.3	-72.4	83.7	9.4	112.5	A730 Q736 R737 F738 K774 E777 E778	A730-R734 WeakPolarHBondContact O-CB 3.47Å; A730-R734 PolarHBondContact O-N 2.82Å; R734-Q736 VanDerWaalsContact C-N 3.28Å; R734-Q736 PolarHBondContact O-N 2.96Å; R734-R737 WeakPolarHBondContact O-CB 3.17Å; R734-R737 PolarHBondContact O-N 3.09Å; R734-R737 VanDerWaalsContact O-N 3.15Å; R734-F738 HydrophobicContact CG-CD2 3.63Å; R734-F738 HydrophobicContact CG-CE2 3.64Å; R734-F738 WeakPolarHBondContact O-CD2 3.2Å; R734-F738 PolarHBondContact O-N 2.67Å; R734-K774 PolarHBondContact NH1-O 3.01Å; R734-K774 VanDerWaalsContact NH2-CB 3.29Å; R734-K774 PolarHBondContact NH2-O 3.21Å; R734-E777 IonicContact CZ-OE2 2.87Å; R734-E777 IonicContact NE-OE2 2.62Å; R734-E777 IonicContact NH2-OE2 2.7Å; R734-E777 PolarHBondContact NH2-OE2 2.79Å; R734-E778 HydrophobicContact CB-CG 4.11Å; R734-E778 VanDerWaalsContact CB-OE1 3.31Å; R734-E778 WeakPolarHBondContact CB-OE1 3.29Å; R734-E778 IonicContact CZ-OE1 3.22Å; R734-E778 IonicContact NE-OE1 2.81Å; R734-E778 PolarHBondContact NE-OE1 3.39Å; R734-E778 IonicContact NH1-OE1 3.76Å; R734-E778 IonicContact NH2-OE1 2.72Å; R734-E778 PolarHBondContact NH2-OE1 3.17Å
735	A	97.1	Very high	96.5	Very high	61 Å²	61	38.7 Å²	38.7	50%	0.504	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-41.1	178.8	0	0	0	0	0	111.4	K731 N732 L733 L739	K731-A735 WeakPolarHBondContact O-CB 3.48Å; K731-A735 PolarHBondContact O-N 3.35Å; K731-A735 VanDerWaalsContact O-N 3.09Å; N732-A735 PolarHBondContact O-N 2.97Å; L733-A735 PolarHBondContact O-N 3.45Å; A735-L739 WeakPolarHBondContact O-CB 3.46Å; A735-L739 PolarHBondContact O-N 3.29Å
736	Q	96.9	Very high	95.5	Very high	94 Å²	94	37.5 Å²	37.5	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-67.5	-39.5	174.3	-71.4	167.7	43.8	0	0	112.6	E667 N732 L733 R734 L739 G740	E667-Q736 PolarHBondContact O-NE2 3.31Å; N732-Q736 WeakPolarHBondContact O-CG 3.49Å; N732-Q736 PolarHBondContact O-N 2.74Å; N732-Q736 PolarHBondContact O-NE2 3Å; L733-Q736 PolarHBondContact O-N 3.18Å; R734-Q736 VanDerWaalsContact C-N 3.28Å; R734-Q736 PolarHBondContact O-N 2.96Å; Q736-L739 PolarHBondContact O-N 3.12Å; Q736-G740 PolarHBondContact O-N 3.41Å
737	R	96.7	Very high	94.5	Very high	30 Å²	30	42.1 Å²	42.1	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-46.2	178	-175.2	166.1	67.7	94.4	-11.1	112.3	L733 R734 G740 G741 A742 E777 E778	L733-R737 WeakPolarHBondContact O-CB 3.35Å; L733-R737 PolarHBondContact O-N 3.16Å; R734-R737 WeakPolarHBondContact O-CB 3.17Å; R734-R737 PolarHBondContact O-N 3.09Å; R734-R737 VanDerWaalsContact O-N 3.15Å; R737-G740 CarbonylContact O-C 3.55Å; R737-G740 PolarHBondContact O-N 2.93Å; R737-G741 PolarHBondContact O-N 3.07Å; R737-A742 HydrophobicContact CG-CB 3.74Å; R737-A742 VanDerWaalsContact O-CB 3.31Å; R737-A742 WeakPolarHBondContact O-CB 3.36Å; R737-A742 PolarHBondContact O-N 3.01Å; R737-A742 VanDerWaalsContact O-N 3.13Å; R737-E777 IonicContact CZ-OE1 3.49Å; R737-E777 IonicContact NH1-OE1 3.17Å; R737-E777 IonicContact NH2-OE1 2.61Å; R737-E777 PolarHBondContact NH2-OE1 3.19Å; R737-E777 IonicContact NH2-OE2 3.26Å; R737-E778 IonicContact CZ-OE1 3.95Å; R737-E778 VanDerWaalsContact CZ-OE1 3.3Å; R737-E778 IonicContact CZ-OE2 3.65Å; R737-E778 IonicContact NE-OE1 2.75Å; R737-E778 PolarHBondContact NE-OE1 3.2Å; R737-E778 VanDerWaalsContact NE-OE1 3.1Å; R737-E778 IonicContact NE-OE2 2.81Å; R737-E778 PolarHBondContact NE-OE2 3.45Å; R737-E778 IonicContact NH2-OE1 2.96Å; R737-E778 PolarHBondContact NH2-OE1 3.02Å; R737-E778 IonicContact NH2-OE2 3.75Å
738	F	96.2	Very high	93.6	Very high	29 Å²	29	41.9 Å²	41.9	13%	0.127	23%	0.234	C	C	.	.	H	α-helix	trans	-76.1	-34.1	176.4	-72.6	-67.3	0	0	0	113.5	R734 G740 G741 A742 R744 H835	R734-F738 HydrophobicContact CG-CD2 3.63Å; R734-F738 HydrophobicContact CG-CE2 3.64Å; R734-F738 WeakPolarHBondContact O-CD2 3.2Å; R734-F738 PolarHBondContact O-N 2.67Å; F738-G740 VanDerWaalsContact C-N 3.28Å; F738-G740 PolarHBondContact O-N 3.41Å; F738-G741 PolarHBondContact O-N 3.06Å; F738-A742 HydrophobicContact CD1-CB 3.97Å; F738-A742 WeakPolarHBondContact CD1-O 3.3Å; F738-A742 HydrophobicContact CE1-CB 4.03Å; F738-R744 HydrophobicContact CE1-CB 3.71Å; F738-R744 HydrophobicContact CZ-CB 3.73Å; F738-R744 HydrophobicContact CZ-CG 4.36Å; F738-H835 AromaticContact CD1-CD2 3.41Å; F738-H835 VanDerWaalsContact CD1-CD2 3.41Å; F738-H835 WeakPolarHBondContact CD1-CD2 3.29Å; F738-H835 AromaticContact CD1-CE1 3.95Å; F738-H835 AromaticContact CD1-NE2 3.33Å; F738-H835 VanDerWaalsContact CD1-NE2 3.33Å; F738-H835 WeakPolarHBondContact CD1-NE2 3.47Å; F738-H835 AromaticContact CE1-CE1 3.88Å; F738-H835 AromaticContact CE1-NE2 3.73Å; F738-H835 AromaticContact CG-NE2 3.85Å
739	L	96.1	Very high	93	Very high	138 Å²	138	44.1 Å²	44.1	72%	0.723	24%	0.235	S	C	*	.	H	α-helix	trans	-60.6	-41.1	170	179.5	61.4	0	0	0	111.3	A735 Q736 G741	A735-L739 WeakPolarHBondContact O-CB 3.46Å; A735-L739 PolarHBondContact O-N 3.29Å; Q736-L739 PolarHBondContact O-N 3.12Å; L739-G741 PolarHBondContact O-N 2.84Å
740	G	95.4	Very high	92.5	Very high	49 Å²	49	45.4 Å²	45.4	51%	0.505	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-0.2	172.4	0	0	0	0	0	114.9	Q736 R737 F738 N886	Q736-G740 PolarHBondContact O-N 3.41Å; R737-G740 CarbonylContact O-C 3.55Å; R737-G740 PolarHBondContact O-N 2.93Å; F738-G740 VanDerWaalsContact C-N 3.28Å; F738-G740 PolarHBondContact O-N 3.41Å; G740-N886 PolarHBondContact O-ND2 2.88Å
741	G	96.4	Very high	92.2	Very high	9 Å²	9	45.8 Å²	45.8	9%	0.093	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	23.2	168.8	0	0	0	0	0	116.1	R737 F738 L739 G832 N886	R737-G741 PolarHBondContact O-N 3.07Å; F738-G741 PolarHBondContact O-N 3.06Å; L739-G741 PolarHBondContact O-N 2.84Å; G741-G832 WeakPolarHBondContact O-CA 3.31Å; G741-G832 PolarHBondContact O-N 3.46Å; G741-N886 WeakPolarHBondContact O-CB 3.22Å
742	A	96.4	Very high	91.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.			trans	-64	160.2	166.7	0	0	0	0	0	112.7	R737 F738 A884	R737-A742 HydrophobicContact CG-CB 3.74Å; R737-A742 VanDerWaalsContact O-CB 3.31Å; R737-A742 WeakPolarHBondContact O-CB 3.36Å; R737-A742 PolarHBondContact O-N 3.01Å; R737-A742 VanDerWaalsContact O-N 3.13Å; F738-A742 HydrophobicContact CD1-CB 3.97Å; F738-A742 WeakPolarHBondContact CD1-O 3.3Å; F738-A742 HydrophobicContact CE1-CB 4.03Å; A742-A884 CarbonylContact C-O 3.43Å; A742-A884 WeakPolarHBondContact CA-O 3.34Å
743	L	94.7	Very high	91.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.212	C	C	.	.			trans	-121.7	147.6	176.4	175.3	62	0	0	0	110.1	L745 A831 I834 H835 M863 Y883 A884	L743-L745 HydrophobicContact CD1-CD1 4.36Å; L743-L745 HydrophobicContact CD1-CD2 4.12Å; L743-L745 HydrophobicContact CD1-CG 3.84Å; L743-L745 HydrophobicContact CD2-CD1 3.85Å; L743-L745 HydrophobicContact CD2-CG 4.16Å; L743-L745 HydrophobicContact CG-CD1 4.19Å; L743-L745 HydrophobicContact CG-CG 3.93Å; L743-A831 HydrophobicContact CB-CB 3.75Å; L743-A831 HydrophobicContact CD2-CB 4.36Å; L743-I834 HydrophobicContact CD1-CB 4.09Å; L743-I834 HydrophobicContact CD1-CG2 3.76Å; L743-I834 HydrophobicContact CD2-CG2 4.47Å; L743-H835 HydrophobicContact CD1-CB 3.78Å; L743-M863 HydrophobicContact CD2-CE 3.99Å; L743-M863 HydrophobicContact CD2-SD 4.18Å; L743-Y883 HydrophobicContact CD2-CE1 3.98Å; L743-A884 PolarHBondContact N-O 3.03Å
744	R	89.8	Confident	91.4	Very high	15 Å²	15	37.8 Å²	37.8	6%	0.057	21%	0.208	C	C	.	.			trans	-139	123.4	179	176.3	156.4	-178.8	135.3	155.5	106.3	G154 E155 F738 D746 Y769 E777	G154-R744 VanDerWaalsContact N-CZ 3.34Å; G154-R744 PolarHBondContact O-NH1 2.92Å; E155-R744 PolarHBondContact O-NH1 3.5Å; F738-R744 HydrophobicContact CE1-CB 3.71Å; F738-R744 HydrophobicContact CZ-CB 3.73Å; F738-R744 HydrophobicContact CZ-CG 4.36Å; R744-D746 WeakPolarHBondContact CG-OD1 3.49Å; R744-D746 WeakPolarHBondContact CG-OD2 3.49Å; R744-D746 IonicContact NE-OD1 2.88Å; R744-D746 IonicContact NE-OD2 3.98Å; R744-Y769 VanDerWaalsContact NH1-CE1 3.34Å; R744-E777 IonicContact CZ-OE2 3.41Å; R744-E777 VanDerWaalsContact NH2-CD 3.33Å; R744-E777 IonicContact NH2-OE1 3.25Å; R744-E777 PolarHBondContact NH2-OE1 3.23Å; R744-E777 IonicContact NH2-OE2 3.82Å; R744-E777 PolarHBondContact NH2-OE2 2.94Å
745	L	88.6	Confident	91.2	Very high	28 Å²	28	38.5 Å²	38.5	15%	0.147	21%	0.214	C	C	.	.			trans	-136.4	91.2	-172.3	-78.8	-179.7	0	0	0	108.7	L743 L838 C859 M863	L743-L745 HydrophobicContact CD1-CD1 4.36Å; L743-L745 HydrophobicContact CD1-CD2 4.12Å; L743-L745 HydrophobicContact CD1-CG 3.84Å; L743-L745 HydrophobicContact CD2-CD1 3.85Å; L743-L745 HydrophobicContact CD2-CG 4.16Å; L743-L745 HydrophobicContact CG-CD1 4.19Å; L743-L745 HydrophobicContact CG-CG 3.93Å; L745-L838 HydrophobicContact CD2-CD1 3.5Å; L745-C859 HydrophobicContact CD1-CB 4.23Å; L745-C859 HydrophobicContact CD2-CB 3.61Å; L745-M863 HydrophobicContact CD1-CE 3.79Å; L745-M863 HydrophobicContact CD1-CG 3.78Å; L745-M863 HydrophobicContact CD1-SD 3.94Å
746	D	76.6	Confident	90.7	Very high	17 Å²	17	40.5 Å²	40.5	9%	0.091	21%	0.211	C	C	.	.			trans	-94.8	138.1	-161.3	-49.9	-41	0	0	0	110.5	G154 E155 R744 N856	G154-D746 VanDerWaalsContact CA-CG 3.49Å; G154-D746 WeakPolarHBondContact CA-OD1 3.5Å; G154-D746 PolarHBondContact N-OD1 3.19Å; E155-D746 WeakPolarHBondContact CA-OD2 3.39Å; E155-D746 HydrophobicContact CG-CB 3.48Å; E155-D746 VanDerWaalsContact CG-CB 3.48Å; E155-D746 PolarHBondContact N-OD1 2.85Å; E155-D746 PolarHBondContact N-OD2 2.91Å; R744-D746 WeakPolarHBondContact CG-OD1 3.49Å; R744-D746 WeakPolarHBondContact CG-OD2 3.49Å; R744-D746 IonicContact NE-OD1 2.88Å; R744-D746 IonicContact NE-OD2 3.98Å; D746-N856 WeakPolarHBondContact O-CB 3.37Å
747	Q	77.4	Confident	90.3	Very high	97 Å²	97	44.9 Å²	44.9	45%	0.453	23%	0.231	S	C	.	.			trans	-121	130.8	176.4	-61.4	-173.2	3.3	0	0	108.7	K749 S860	Q747-K749 PolarHBondContact O-N 3.49Å; Q747-K749 VanDerWaalsContact O-N 3.08Å; Q747-S860 VanDerWaalsContact NE2-CB 3.25Å; Q747-S860 PolarHBondContact NE2-OG 2.89Å; Q747-S860 VanDerWaalsContact NE2-OG 3.08Å
748	P	79.8	Confident	90	Very high	29 Å²	29	47.5 Å²	47.5	19%	0.188	25%	0.251	C	S	.	.			trans	-61.7	113.9	-177.5	23.9	-34	0	0	0	110.5	I766 G984	P748-I766 HydrophobicContact CB-CD1 3.96Å; P748-I766 HydrophobicContact CB-CG1 4.29Å; P748-I766 HydrophobicContact CB-CG2 3.8Å; P748-G984 VanDerWaalsContact CG-CA 3.47Å
749	K	85.3	Confident	89.8	Confident	111 Å²	111	49.1 Å²	49.1	48%	0.483	26%	0.26	S	S	.	.			trans	-84.7	118.6	174.4	-70.1	-169.9	179.8	-173.4	0	109.6	Q747 Y767	Q747-K749 PolarHBondContact O-N 3.49Å; Q747-K749 VanDerWaalsContact O-N 3.08Å; K749-Y767 PolarHBondContact O-N 2.84Å
750	L	89.4	Confident	89.6	Confident	28 Å²	28	45.2 Å²	45.2	15%	0.147	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.7	172.7	-165.2	68.1	0	0	0	110.1	F752 C764 F952 Y983	L750-F752 HydrophobicContact CD2-CE1 4Å; L750-F752 HydrophobicContact CD2-CE2 4.38Å; L750-F752 HydrophobicContact CD2-CZ 3.64Å; L750-F752 HydrophobicContact CG-CE2 4.44Å; L750-F752 HydrophobicContact CG-CZ 4.13Å; L750-C764 HydrophobicContact CD1-CB 3.89Å; L750-C764 HydrophobicContact CD2-CB 4.24Å; L750-C764 HydrophobicContact CG-CB 4.06Å; L750-F952 HydrophobicContact CD2-CB 3.94Å; L750-F952 HydrophobicContact CD2-CD2 3.54Å; L750-F952 HydrophobicContact CD2-CE2 4.2Å; L750-F952 HydrophobicContact CD2-CG 3.79Å; L750-Y983 HydrophobicContact CD1-CD1 4.49Å
751	S	91.3	Very high	89.6	Confident	9 Å²	9	43.2 Å²	43.2	6%	0.063	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	156.2	169.2	-67.8	0	0	0	0	109.9	C764 Y765	S751-C764 CarbonylContact O-C 3.57Å; S751-C764 WeakPolarHBondContact O-CA 3.46Å; S751-C764 WeakPolarHBondContact O-CB 3.25Å; S751-Y765 PolarHBondContact N-O 3.19Å; S751-Y765 PolarHBondContact O-N 2.85Å
752	F	92.5	Very high	89.4	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	154.2	-177.5	-59.9	-90.9	0	0	0	111	D142 T143 V631 L750 L754 P761 G763 C764 S948 F952	D142-F752 CarbonylContact C-O 3.57Å; D142-F752 WeakPolarHBondContact CA-O 3.44Å; T143-F752 HydrophobicContact CG2-CB 4.01Å; T143-F752 WeakPolarHBondContact CG2-O 3.12Å; T143-F752 PolarHBondContact N-O 3.49Å; T143-F752 PolarHBondContact OG1-N 3.36Å; T143-F752 PolarHBondContact OG1-O 2.98Å; V631-F752 HydrophobicContact CB-CD2 4.42Å; V631-F752 HydrophobicContact CG1-CB 4.05Å; V631-F752 HydrophobicContact CG1-CD2 3.52Å; V631-F752 HydrophobicContact CG1-CE2 4.24Å; V631-F752 HydrophobicContact CG1-CG 3.95Å; V631-F752 HydrophobicContact CG2-CD2 3.92Å; V631-F752 HydrophobicContact CG2-CE2 3.88Å; L750-F752 HydrophobicContact CD2-CE1 4Å; L750-F752 HydrophobicContact CD2-CE2 4.38Å; L750-F752 HydrophobicContact CD2-CZ 3.64Å; L750-F752 HydrophobicContact CG-CE2 4.44Å; L750-F752 HydrophobicContact CG-CZ 4.13Å; F752-L754 HydrophobicContact CB-CD2 3.99Å; F752-P761 HydrophobicContact CD1-CB 4.17Å; F752-G763 WeakPolarHBondContact CA-O 3.39Å; F752-C764 HydrophobicContact CD1-CB 3.69Å; F752-C764 HydrophobicContact CE1-CB 3.9Å; F752-C764 HydrophobicContact CG-CB 4.44Å; F752-S948 WeakPolarHBondContact CZ-O 3.22Å; F752-F952 HydrophobicContact CE1-CB 4.16Å; F752-F952 HydrophobicContact CZ-CB 4.06Å
753	T	92.8	Very high	89.2	Confident	16 Å²	16	49.5 Å²	49.5	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115	161.3	-58.4	0	0	0	0	106.9	R140 D142 Q762 G763	R140-T753 HydrophobicContact CB-CG2 3.62Å; R140-T753 HydrophobicContact CG-CG2 3.6Å; D142-T753 WeakPolarHBondContact OD1-CB 3.48Å; D142-T753 WeakPolarHBondContact OD1-CG2 3.43Å; D142-T753 PolarHBondContact OD1-OG1 3.45Å; T753-Q762 PolarHBondContact O-N 3.13Å; T753-G763 PolarHBondContact N-O 2.92Å; T753-G763 PolarHBondContact O-N 3.09Å
754	L	93.1	Very high	89.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	149.7	177.7	-53.1	-174	0	0	0	110.9	R141 T143 V631 Q632 F752 M760 P761 Y951	R141-L754 PolarHBondContact N-O 2.85Å; R141-L754 PolarHBondContact O-N 2.81Å; T143-L754 HydrophobicContact CG2-CD1 3.76Å; T143-L754 HydrophobicContact CG2-CD2 4.19Å; T143-L754 HydrophobicContact CG2-CG 3.55Å; V631-L754 HydrophobicContact CG1-CD1 4.45Å; V631-L754 HydrophobicContact CG1-CD2 4.28Å; Q632-L754 HydrophobicContact CB-CD1 4.05Å; F752-L754 HydrophobicContact CB-CD2 3.99Å; L754-M760 WeakPolarHBondContact CA-O 3.08Å; L754-P761 HydrophobicContact CD2-CB 4.23Å; L754-Y951 HydrophobicContact CD1-CE1 4.21Å; L754-Y951 HydrophobicContact CD2-CD1 3.85Å; L754-Y951 HydrophobicContact CD2-CE1 3.56Å
755	D	92.5	Very high	89.1	Confident	43 Å²	43	53.6 Å²	53.6	23%	0.23	27%	0.267	C	S	.	.			trans	-64.9	146.2	158.7	174.1	-117.3	0	0	0	110.8	E757 T758 M759 M760 Q762	D755-E757 PolarHBondContact OD1-N 2.87Å; D755-T758 WeakPolarHBondContact CB-OG1 3.38Å; D755-T758 WeakPolarHBondContact OD1-CB 3.45Å; D755-T758 PolarHBondContact OD1-N 3.39Å; D755-T758 PolarHBondContact OD1-OG1 2.84Å; D755-M759 WeakPolarHBondContact O-CA 3.43Å; D755-M759 PolarHBondContact O-N 3.07Å; D755-M760 PolarHBondContact N-O 3.42Å; D755-Q762 HydrophobicContact CB-CG 3.79Å
756	K	86.8	Confident	89.1	Confident	103 Å²	103	54.2 Å²	54.2	45%	0.448	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-24.4	-173.9	-75.7	-179.5	-179.9	-179.6	0	114	G138 Q139 R140 R141 M759	G138-K756 PolarHBondContact O-NZ 2.73Å; Q139-K756 VanDerWaalsContact C-CE 3.44Å; Q139-K756 VanDerWaalsContact O-CD 3.23Å; Q139-K756 WeakPolarHBondContact O-CD 3.49Å; Q139-K756 VanDerWaalsContact O-CE 3.23Å; Q139-K756 WeakPolarHBondContact O-CE 3.39Å; Q139-K756 WeakPolarHBondContact O-CG 3.36Å; R140-K756 WeakPolarHBondContact O-CE 3.38Å; R141-K756 HydrophobicContact CB-CG 4.18Å; K756-M759 WeakPolarHBondContact O-CE 3.39Å
757	E	89.1	Confident	89.6	Confident	185 Å²	185	55.7 Å²	55.7	86%	0.864	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-44.7	-174.7	-64	-178.4	-169.7	0	0	111.6	D755	D755-E757 PolarHBondContact OD1-N 2.87Å
758	T	90.1	Very high	90	Very high	86 Å²	86	56.8 Å²	56.8	53%	0.528	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-13.7	-177.2	63.2	0	0	0	0	114.1	D755 M760	D755-T758 WeakPolarHBondContact CB-OG1 3.38Å; D755-T758 WeakPolarHBondContact OD1-CB 3.45Å; D755-T758 PolarHBondContact OD1-N 3.39Å; D755-T758 PolarHBondContact OD1-OG1 2.84Å; T758-M760 PolarHBondContact O-N 3.1Å; T758-M760 PolarHBondContact OG1-N 3.05Å
759	M	91.2	Very high	90.4	Very high	62 Å²	62	56.7 Å²	56.7	31%	0.305	28%	0.276	S	S	.	.			trans	56.1	12.8	-170.4	-57.6	-67.8	162.9	0	0	114.9	R141 D755 K756	R141-M759 PolarHBondContact NH1-SD 3.16Å; R141-M759 VanDerWaalsContact NH1-SD 3.45Å; D755-M759 WeakPolarHBondContact O-CA 3.43Å; D755-M759 PolarHBondContact O-N 3.07Å; K756-M759 WeakPolarHBondContact O-CE 3.39Å
760	M	93.4	Very high	90.7	Very high	57 Å²	57	55.2 Å²	55.2	28%	0.281	27%	0.267	S	S	.	.			trans	-73	144.5	177.5	-68.7	-68.1	-71.7	0	0	111.3	I523 L754 D755 T758 Q762 V954 E958	I523-M760 HydrophobicContact CD1-SD 3.66Å; L754-M760 WeakPolarHBondContact CA-O 3.08Å; D755-M760 PolarHBondContact N-O 3.42Å; T758-M760 PolarHBondContact O-N 3.1Å; T758-M760 PolarHBondContact OG1-N 3.05Å; M760-Q762 PolarHBondContact O-N 2.9Å; M760-V954 HydrophobicContact CE-CG1 3.58Å; M760-V954 HydrophobicContact SD-CG1 4.39Å; M760-E958 HydrophobicContact CE-CG 3.76Å
761	P	94.4	Very high	91	Very high	6 Å²	6	55.5 Å²	55.5	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	115.3	177	27.6	-32.9	0	0	0	111.3	F752 L754 Y951 V954 F955	F752-P761 HydrophobicContact CD1-CB 4.17Å; L754-P761 HydrophobicContact CD2-CB 4.23Å; P761-Y951 HydrophobicContact CB-CD1 4.19Å; P761-Y951 HydrophobicContact CG-CD1 4.15Å; P761-V954 HydrophobicContact CG-CB 4.37Å; P761-V954 HydrophobicContact CG-CG1 4.04Å; P761-F955 HydrophobicContact CB-CB 4.13Å; P761-F955 HydrophobicContact CB-CD2 4.12Å; P761-F955 HydrophobicContact CG-CB 3.97Å
762	Q	92.5	Very high	91.2	Very high	126 Å²	126	55.1 Å²	55.1	59%	0.589	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	-14.8	174.2	-66.9	-67.6	-41.4	0	0	112.5	T753 D755 M760	T753-Q762 PolarHBondContact O-N 3.13Å; D755-Q762 HydrophobicContact CB-CG 3.79Å; M760-Q762 PolarHBondContact O-N 2.9Å
763	G	92	Very high	91.3	Very high	16 Å²	16	55.2 Å²	55.2	17%	0.165	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	162.2	179.6	0	0	0	0	0	111.4	F752 T753 F955	F752-G763 WeakPolarHBondContact CA-O 3.39Å; T753-G763 PolarHBondContact N-O 2.92Å; T753-G763 PolarHBondContact O-N 3.09Å; G763-F955 VanDerWaalsContact CA-CE2 3.46Å
764	C	92.8	Very high	91.4	Very high	24 Å²	24	55 Å²	55	16%	0.162	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.7	166.9	67.3	0	0	0	0	110.9	L750 S751 F752 F955	L750-C764 HydrophobicContact CD1-CB 3.89Å; L750-C764 HydrophobicContact CD2-CB 4.24Å; L750-C764 HydrophobicContact CG-CB 4.06Å; S751-C764 CarbonylContact O-C 3.57Å; S751-C764 WeakPolarHBondContact O-CA 3.46Å; S751-C764 WeakPolarHBondContact O-CB 3.25Å; F752-C764 HydrophobicContact CD1-CB 3.69Å; F752-C764 HydrophobicContact CE1-CB 3.9Å; F752-C764 HydrophobicContact CG-CB 4.44Å; C764-F955 VanDerWaalsContact SG-CD1 3.59Å; C764-F955 WeakPolarHBondContact SG-CE1 3.38Å
765	Y	89.9	Confident	91.7	Very high	80 Å²	80	55 Å²	55	31%	0.314	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.4	-177	60.6	-86.2	0	0	0	110	S751	S751-Y765 PolarHBondContact N-O 3.19Å; S751-Y765 PolarHBondContact O-N 2.85Å
766	I	87.9	Confident	91.9	Very high	42 Å²	42	53.1 Å²	53.1	22%	0.215	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.1	172.9	-62.6	173.9	0	0	0	108.3	P748 E768 L981	P748-I766 HydrophobicContact CB-CD1 3.96Å; P748-I766 HydrophobicContact CB-CG1 4.29Å; P748-I766 HydrophobicContact CB-CG2 3.8Å; I766-E768 PolarHBondContact O-N 3Å; I766-L981 VanDerWaalsContact CD1-O 3.32Å; I766-L981 WeakPolarHBondContact CD1-O 3.48Å
767	Y	87.4	Confident	92.4	Very high	48 Å²	48	48.6 Å²	48.6	19%	0.188	24%	0.235	C	C	.	.			trans	-66.3	113.6	178.2	-179	-119.7	0	0	0	111.1	T144 D148 K749 Y769 N773	T144-Y767 HydrophobicContact CG2-CD2 3.69Å; T144-Y767 HydrophobicContact CG2-CE2 3.57Å; D148-Y767 PolarHBondContact OD1-OH 2.67Å; K749-Y767 PolarHBondContact O-N 2.84Å; Y767-Y769 HydrophobicContact CE1-CD2 4.45Å; Y767-N773 PolarHBondContact OH-ND2 3.39Å
768	E	86.4	Confident	92.8	Very high	120 Å²	120	40.1 Å²	40.1	56%	0.561	20%	0.195	S	C	*	.			trans	-75	126.8	173.5	-66.8	177.3	-172.8	0	0	111	I766 R770	I766-E768 PolarHBondContact O-N 3Å; E768-R770 HydrophobicContact CB-CG 4.28Å; E768-R770 IonicContact OE2-CZ 2.86Å; E768-R770 IonicContact OE2-NE 2.68Å; E768-R770 PolarHBondContact OE2-NE 3.45Å; E768-R770 IonicContact OE2-NH2 3.89Å; E768-R770 PolarHBondContact OE2-NH2 2.99Å
769	Y	87.1	Confident	93.2	Very high	27 Å²	27	36 Å²	36	11%	0.106	17%	0.17	C	C	.	.			trans	-100.8	111.7	174.8	-167.1	-85.6	0	0	0	110.4	I151 G154 R744 Y767 N773 K774 E777	I151-Y769 HydrophobicContact CD1-CE2 3.62Å; I151-Y769 HydrophobicContact CG1-CE2 4.15Å; G154-Y769 WeakPolarHBondContact O-CB 3.18Å; G154-Y769 WeakPolarHBondContact O-CD1 3.4Å; G154-Y769 WeakPolarHBondContact O-CE1 3.49Å; R744-Y769 VanDerWaalsContact NH1-CE1 3.34Å; Y767-Y769 HydrophobicContact CE1-CD2 4.45Å; Y769-N773 HydrophobicContact CD1-CB 3.86Å; Y769-N773 HydrophobicContact CD2-CB 3.66Å; Y769-N773 HydrophobicContact CE1-CB 3.76Å; Y769-N773 HydrophobicContact CE2-CB 3.54Å; Y769-N773 HydrophobicContact CG-CB 3.85Å; Y769-K774 HydrophobicContact CD1-CG 3.8Å; Y769-K774 HydrophobicContact CE1-CB 4.31Å; Y769-K774 HydrophobicContact CE1-CG 3.44Å; Y769-K774 VanDerWaalsContact CE1-CG 3.44Å; Y769-E777 WeakPolarHBondContact OH-CB 3.41Å; Y769-E777 VanDerWaalsContact OH-CD 3.29Å; Y769-E777 PolarHBondContact OH-OE2 3.12Å
770	R	92.7	Very high	93.5	Very high	79 Å²	79	33.4 Å²	33.4	30%	0.298	16%	0.158	S	C	.	.			trans	-110	-177.8	-168.2	-52.7	-169.8	-170	137	-3	112.6	D689 Q692 E768 C772 N773 K774	D689-R770 IonicContact OD1-CZ 3.52Å; D689-R770 IonicContact OD1-NH1 2.69Å; D689-R770 PolarHBondContact OD1-NH1 3.47Å; Q692-R770 HydrophobicContact CG-CB 4.27Å; E768-R770 HydrophobicContact CB-CG 4.28Å; E768-R770 IonicContact OE2-CZ 2.86Å; E768-R770 IonicContact OE2-NE 2.68Å; E768-R770 PolarHBondContact OE2-NE 3.45Å; E768-R770 IonicContact OE2-NH2 3.89Å; E768-R770 PolarHBondContact OE2-NH2 2.99Å; R770-C772 PolarHBondContact O-N 2.99Å; R770-N773 PolarHBondContact N-OD1 2.91Å; R770-N773 PolarHBondContact O-N 2.93Å; R770-N773 VanDerWaalsContact O-N 3.11Å; R770-K774 WeakPolarHBondContact O-CB 3.28Å; R770-K774 WeakPolarHBondContact O-CG 3.44Å; R770-K774 PolarHBondContact O-N 3.42Å
771	D	96	Very high	93.8	Very high	35 Å²	35	31 Å²	31	19%	0.187	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-26.7	-176.1	-70.6	-17.3	0	0	0	112.6	I695 H727 K774 L775	I695-D771 HydrophobicContact CD1-CB 4.23Å; I695-D771 HydrophobicContact CG2-CB 4.13Å; H727-D771 IonicContact NE2-OD2 3.62Å; D771-K774 WeakPolarHBondContact O-CB 3.45Å; D771-K774 WeakPolarHBondContact OD1-CD 3.27Å; D771-K774 WeakPolarHBondContact OD1-CE 3.49Å; D771-K774 IonicContact OD1-NZ 2.81Å; D771-K774 PolarHBondContact OD1-NZ 2.84Å; D771-L775 WeakPolarHBondContact O-CB 3.4Å; D771-L775 PolarHBondContact O-N 2.72Å
772	C	94.9	Very high	94	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-42.5	170.2	58.4	0	0	0	0	114.3	Y688 A691 Q692 I695 R770 K774 L775 V776	Y688-C772 VanDerWaalsContact CB-SG 3.59Å; Y688-C772 HydrophobicContact CD1-CB 4Å; Y688-C772 PolarHBondContact O-SG 2.89Å; A691-C772 HydrophobicContact CB-CB 3.84Å; Q692-C772 HydrophobicContact CB-CB 4.25Å; I695-C772 HydrophobicContact CD1-CB 4.44Å; R770-C772 PolarHBondContact O-N 2.99Å; C772-K774 VanDerWaalsContact C-N 3.33Å; C772-L775 WeakPolarHBondContact O-CB 3.43Å; C772-L775 PolarHBondContact O-N 3.25Å; C772-V776 PolarHBondContact O-N 3.24Å
773	N	94.8	Very high	94.3	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-67	-42	175.1	-54	89.4	0	0	0	110	Y688 Y767 Y769 R770 L775 V776 E777	Y688-N773 VanDerWaalsContact CD2-ND2 3.27Å; Y688-N773 WeakPolarHBondContact CD2-ND2 3.36Å; Y688-N773 WeakPolarHBondContact CE2-ND2 3.2Å; Y767-N773 PolarHBondContact OH-ND2 3.39Å; Y769-N773 HydrophobicContact CD1-CB 3.86Å; Y769-N773 HydrophobicContact CD2-CB 3.66Å; Y769-N773 HydrophobicContact CE1-CB 3.76Å; Y769-N773 HydrophobicContact CE2-CB 3.54Å; Y769-N773 HydrophobicContact CG-CB 3.85Å; R770-N773 PolarHBondContact N-OD1 2.91Å; R770-N773 PolarHBondContact O-N 2.93Å; R770-N773 VanDerWaalsContact O-N 3.11Å; N773-L775 VanDerWaalsContact C-N 3.27Å; N773-L775 PolarHBondContact O-N 2.72Å; N773-V776 PolarHBondContact O-N 2.92Å; N773-E777 PolarHBondContact O-N 2.95Å
774	K	95.4	Very high	94.6	Very high	11 Å²	11	24.9 Å²	24.9	5%	0.048	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-31.6	175.1	-75.4	177.1	-135.5	163.1	0	113.5	E156 R734 Y769 R770 D771 C772	E156-K774 VanDerWaalsContact OE1-CD 3.32Å; E156-K774 WeakPolarHBondContact OE1-CD 3.47Å; E156-K774 WeakPolarHBondContact OE1-CE 3.32Å; E156-K774 IonicContact OE1-NZ 3.67Å; E156-K774 PolarHBondContact OE1-NZ 3.32Å; R734-K774 PolarHBondContact NH1-O 3.01Å; R734-K774 VanDerWaalsContact NH2-CB 3.29Å; R734-K774 PolarHBondContact NH2-O 3.21Å; Y769-K774 HydrophobicContact CD1-CG 3.8Å; Y769-K774 HydrophobicContact CE1-CB 4.31Å; Y769-K774 HydrophobicContact CE1-CG 3.44Å; Y769-K774 VanDerWaalsContact CE1-CG 3.44Å; R770-K774 WeakPolarHBondContact O-CB 3.28Å; R770-K774 WeakPolarHBondContact O-CG 3.44Å; R770-K774 PolarHBondContact O-N 3.42Å; D771-K774 WeakPolarHBondContact O-CB 3.45Å; D771-K774 WeakPolarHBondContact OD1-CD 3.27Å; D771-K774 WeakPolarHBondContact OD1-CE 3.49Å; D771-K774 IonicContact OD1-NZ 2.81Å; D771-K774 PolarHBondContact OD1-NZ 2.84Å; C772-K774 VanDerWaalsContact C-N 3.33Å
775	L	97.8	Very high	94.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-64.5	-53.9	174.5	-178.8	170.2	0	0	0	109.6	I576 L588 I695 V723 L726 H727 D771 C772 N773 E777 F779	I576-L775 HydrophobicContact CD1-CD1 4.37Å; I576-L775 HydrophobicContact CD1-CD2 4.16Å; L588-L775 HydrophobicContact CD1-CD2 3.52Å; I695-L775 HydrophobicContact CD1-CD1 4.24Å; V723-L775 HydrophobicContact CG1-CD1 4.23Å; L726-L775 HydrophobicContact CB-CD1 3.83Å; L726-L775 HydrophobicContact CB-CD2 3.9Å; L726-L775 HydrophobicContact CB-CG 3.89Å; L726-L775 HydrophobicContact CD1-CD2 4.37Å; H727-L775 HydrophobicContact CB-CD1 4.11Å; D771-L775 WeakPolarHBondContact O-CB 3.4Å; D771-L775 PolarHBondContact O-N 2.72Å; C772-L775 WeakPolarHBondContact O-CB 3.43Å; C772-L775 PolarHBondContact O-N 3.25Å; N773-L775 VanDerWaalsContact C-N 3.27Å; N773-L775 PolarHBondContact O-N 2.72Å; L775-E777 PolarHBondContact O-N 3.45Å; L775-F779 HydrophobicContact CD2-CD2 4.13Å; L775-F779 HydrophobicContact CD2-CE2 4.24Å; L775-F779 HydrophobicContact CG-CE2 4.48Å; L775-F779 VanDerWaalsContact O-CD2 3.22Å; L775-F779 WeakPolarHBondContact O-CD2 3.35Å
776	V	97.6	Very high	95.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.024	11%	0.105	C	C	.	.	H	α-helix	trans	-63.4	-42.1	-179.1	-178.4	0	0	0	0	111.5	I576 L588 Y688 C772 N773 E778 F779 M780	I576-V776 HydrophobicContact CB-CG2 4.04Å; I576-V776 HydrophobicContact CG2-CG2 4.38Å; L588-V776 HydrophobicContact CD1-CG2 4.35Å; Y688-V776 HydrophobicContact CE1-CG2 4.13Å; C772-V776 PolarHBondContact O-N 3.24Å; N773-V776 PolarHBondContact O-N 2.92Å; V776-E778 PolarHBondContact O-N 3.36Å; V776-F779 PolarHBondContact O-N 2.82Å; V776-M780 HydrophobicContact CG1-CE 4.29Å; V776-M780 HydrophobicContact CG1-CG 3.83Å; V776-M780 WeakPolarHBondContact O-CG 3.26Å; V776-M780 PolarHBondContact O-N 2.72Å
777	E	96.2	Very high	95.8	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.033	9%	0.094	C	C	.	.	H	α-helix	trans	-47	-53.8	178.5	-179.2	-176.9	-171.3	0	0	112.6	I151 R734 R737 R744 Y769 N773 L775 F779 M780 L781	I151-E777 HydrophobicContact CG2-CB 4.45Å; I151-E777 HydrophobicContact CG2-CG 3.84Å; R734-E777 IonicContact CZ-OE2 2.87Å; R734-E777 IonicContact NE-OE2 2.62Å; R734-E777 IonicContact NH2-OE2 2.7Å; R734-E777 PolarHBondContact NH2-OE2 2.79Å; R737-E777 IonicContact CZ-OE1 3.49Å; R737-E777 IonicContact NH1-OE1 3.17Å; R737-E777 IonicContact NH2-OE1 2.61Å; R737-E777 PolarHBondContact NH2-OE1 3.19Å; R737-E777 IonicContact NH2-OE2 3.26Å; R744-E777 IonicContact CZ-OE2 3.41Å; R744-E777 VanDerWaalsContact NH2-CD 3.33Å; R744-E777 IonicContact NH2-OE1 3.25Å; R744-E777 PolarHBondContact NH2-OE1 3.23Å; R744-E777 IonicContact NH2-OE2 3.82Å; R744-E777 PolarHBondContact NH2-OE2 2.94Å; Y769-E777 WeakPolarHBondContact OH-CB 3.41Å; Y769-E777 VanDerWaalsContact OH-CD 3.29Å; Y769-E777 PolarHBondContact OH-OE2 3.12Å; N773-E777 PolarHBondContact O-N 2.95Å; L775-E777 PolarHBondContact O-N 3.45Å; E777-F779 PolarHBondContact O-N 3.47Å; E777-M780 PolarHBondContact O-N 3.01Å; E777-L781 HydrophobicContact CG-CD1 3.94Å; E777-L781 WeakPolarHBondContact O-CB 3.33Å; E777-L781 VanDerWaalsContact O-CG 3.22Å; E777-L781 WeakPolarHBondContact O-CG 3.35Å; E777-L781 PolarHBondContact O-N 2.85Å
778	E	98.1	Very high	96.3	Very high	7 Å²	7	18.3 Å²	18.3	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-71.3	-35.2	-172	-58.3	-61.4	155.5	0	0	112.6	A730 L733 R734 R737 V776 L782	A730-E778 HydrophobicContact CB-CB 4.15Å; A730-E778 HydrophobicContact CB-CG 4.24Å; L733-E778 HydrophobicContact CB-CB 4.04Å; L733-E778 HydrophobicContact CB-CG 4.29Å; L733-E778 HydrophobicContact CD1-CB 4.13Å; R734-E778 HydrophobicContact CB-CG 4.11Å; R734-E778 VanDerWaalsContact CB-OE1 3.31Å; R734-E778 WeakPolarHBondContact CB-OE1 3.29Å; R734-E778 IonicContact CZ-OE1 3.22Å; R734-E778 IonicContact NE-OE1 2.81Å; R734-E778 PolarHBondContact NE-OE1 3.39Å; R734-E778 IonicContact NH1-OE1 3.76Å; R734-E778 IonicContact NH2-OE1 2.72Å; R734-E778 PolarHBondContact NH2-OE1 3.17Å; R737-E778 IonicContact CZ-OE1 3.95Å; R737-E778 VanDerWaalsContact CZ-OE1 3.3Å; R737-E778 IonicContact CZ-OE2 3.65Å; R737-E778 IonicContact NE-OE1 2.75Å; R737-E778 PolarHBondContact NE-OE1 3.2Å; R737-E778 VanDerWaalsContact NE-OE1 3.1Å; R737-E778 IonicContact NE-OE2 2.81Å; R737-E778 PolarHBondContact NE-OE2 3.45Å; R737-E778 IonicContact NH2-OE1 2.96Å; R737-E778 PolarHBondContact NH2-OE1 3.02Å; R737-E778 IonicContact NH2-OE2 3.75Å; V776-E778 PolarHBondContact O-N 3.36Å; E778-L782 VanDerWaalsContact O-CB 3.31Å; E778-L782 WeakPolarHBondContact O-CB 3.34Å; E778-L782 PolarHBondContact O-N 3.43Å
779	F	98.6	Very high	96.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-74.4	-35	177.2	-66.5	-64.6	0	0	0	112.6	L588 V600 V602 L664 L726 I729 A730 L733 L775 V776 E777 L782 A783	L588-F779 HydrophobicContact CD2-CB 4.07Å; L588-F779 HydrophobicContact CD2-CG 4.5Å; V600-F779 HydrophobicContact CG1-CD1 3.99Å; V600-F779 HydrophobicContact CG1-CE1 3.8Å; V600-F779 HydrophobicContact CG1-CZ 4.46Å; V602-F779 HydrophobicContact CG2-CB 3.84Å; L664-F779 HydrophobicContact CD1-CE1 4.27Å; L726-F779 HydrophobicContact CB-CE2 3.89Å; L726-F779 HydrophobicContact CB-CZ 4.4Å; L726-F779 HydrophobicContact CD2-CD2 4.02Å; L726-F779 HydrophobicContact CD2-CE1 4.26Å; L726-F779 HydrophobicContact CD2-CE2 3.46Å; L726-F779 VanDerWaalsContact CD2-CE2 3.46Å; L726-F779 HydrophobicContact CD2-CZ 3.6Å; L726-F779 HydrophobicContact CG-CE2 4.28Å; L726-F779 WeakPolarHBondContact O-CE2 3.41Å; I729-F779 HydrophobicContact CB-CZ 4.01Å; I729-F779 HydrophobicContact CG2-CE1 3.89Å; I729-F779 HydrophobicContact CG2-CZ 3.75Å; A730-F779 HydrophobicContact CB-CE2 3.92Å; A730-F779 HydrophobicContact CB-CZ 4.41Å; L733-F779 HydrophobicContact CD1-CD1 4.36Å; L733-F779 HydrophobicContact CD1-CE1 4.01Å; L775-F779 HydrophobicContact CD2-CD2 4.13Å; L775-F779 HydrophobicContact CD2-CE2 4.24Å; L775-F779 HydrophobicContact CG-CE2 4.48Å; L775-F779 VanDerWaalsContact O-CD2 3.22Å; L775-F779 WeakPolarHBondContact O-CD2 3.35Å; V776-F779 PolarHBondContact O-N 2.82Å; E777-F779 PolarHBondContact O-N 3.47Å; F779-L782 HydrophobicContact CD1-CD2 4.49Å; F779-L782 PolarHBondContact O-N 3.35Å; F779-A783 WeakPolarHBondContact O-CB 3.4Å; F779-A783 PolarHBondContact O-N 2.93Å
780	M	98.4	Very high	97.4	Very high	8 Å²	8	15.5 Å²	15.5	4%	0.039	8%	0.077	C	C	.	.	H	α-helix	trans	-67.7	-40.5	172.2	-64.3	-51.7	128.3	0	0	111.7	D586 L588 V602 I604 V776 E777 L782 A783 N784 T894	D586-M780 HydrophobicContact CB-CE 3.79Å; D586-M780 HydrophobicContact CB-SD 3.86Å; D586-M780 WeakPolarHBondContact OD2-CE 3.37Å; L588-M780 HydrophobicContact CD2-CE 3.8Å; V602-M780 HydrophobicContact CG1-CE 3.81Å; V602-M780 HydrophobicContact CG1-SD 4.12Å; V602-M780 HydrophobicContact CG2-CE 4.07Å; I604-M780 HydrophobicContact CD1-SD 4.18Å; V776-M780 HydrophobicContact CG1-CE 4.29Å; V776-M780 HydrophobicContact CG1-CG 3.83Å; V776-M780 WeakPolarHBondContact O-CG 3.26Å; V776-M780 PolarHBondContact O-N 2.72Å; E777-M780 PolarHBondContact O-N 3.01Å; M780-L782 VanDerWaalsContact C-N 3.35Å; M780-A783 PolarHBondContact O-N 3.29Å; M780-N784 VanDerWaalsContact O-CB 3.3Å; M780-N784 WeakPolarHBondContact O-CB 3.4Å; M780-N784 VanDerWaalsContact O-CG 3.29Å; M780-N784 PolarHBondContact O-N 2.94Å; M780-N784 PolarHBondContact O-ND2 3.41Å; M780-T894 HydrophobicContact CB-CG2 4.16Å; M780-T894 HydrophobicContact CG-CG2 4.41Å; M780-T894 HydrophobicContact SD-CG2 3.51Å; M780-T894 VanDerWaalsContact SD-CG2 3.51Å
781	L	98.1	Very high	97.7	Very high	7 Å²	7	11.7 Å²	11.7	4%	0.037	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-44.1	170.4	-72.1	174.2	0	0	0	111.4	E777 N784 M785 L885 Y890	E777-L781 HydrophobicContact CG-CD1 3.94Å; E777-L781 WeakPolarHBondContact O-CB 3.33Å; E777-L781 VanDerWaalsContact O-CG 3.22Å; E777-L781 WeakPolarHBondContact O-CG 3.35Å; E777-L781 PolarHBondContact O-N 2.85Å; L781-N784 PolarHBondContact O-N 3.29Å; L781-M785 HydrophobicContact CB-CE 4.25Å; L781-M785 WeakPolarHBondContact O-CB 3.4Å; L781-M785 WeakPolarHBondContact O-CE 3.38Å; L781-M785 WeakPolarHBondContact O-CG 3.44Å; L781-M785 PolarHBondContact O-N 3.25Å; L781-L885 HydrophobicContact CD1-CD2 4.16Å; L781-L885 HydrophobicContact CD2-CD1 3.84Å; L781-L885 HydrophobicContact CD2-CD2 3.85Å; L781-Y890 HydrophobicContact CD2-CE2 3.8Å
782	L	98.5	Very high	97.7	Very high	17 Å²	17	11.7 Å²	11.7	9%	0.089	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-44.4	178.4	-162.8	70	0	0	0	112	W662 L664 I670 L733 E778 F779 M780 A786	W662-L782 HydrophobicContact CD2-CD2 4.09Å; W662-L782 HydrophobicContact CE3-CD2 4.31Å; W662-L782 HydrophobicContact CH2-CB 4.28Å; W662-L782 HydrophobicContact CH2-CD2 4.2Å; W662-L782 HydrophobicContact CH2-CG 4.22Å; W662-L782 HydrophobicContact CZ2-CB 4.17Å; W662-L782 HydrophobicContact CZ2-CD2 3.97Å; W662-L782 HydrophobicContact CZ2-CG 3.75Å; W662-L782 HydrophobicContact CZ3-CD2 4.38Å; L664-L782 HydrophobicContact CD1-CD2 4.43Å; I670-L782 HydrophobicContact CD1-CD1 4.07Å; L733-L782 HydrophobicContact CD1-CD2 4.4Å; E778-L782 VanDerWaalsContact O-CB 3.31Å; E778-L782 WeakPolarHBondContact O-CB 3.34Å; E778-L782 PolarHBondContact O-N 3.43Å; F779-L782 HydrophobicContact CD1-CD2 4.49Å; F779-L782 PolarHBondContact O-N 3.35Å; M780-L782 VanDerWaalsContact C-N 3.35Å; L782-A786 WeakPolarHBondContact O-CB 3.36Å; L782-A786 PolarHBondContact O-N 2.92Å
783	A	98.7	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-52.4	174.4	0	0	0	0	0	111.4	V602 W662 F779 M780 M785 A786 V787 F893 T894	V602-A783 HydrophobicContact CB-CB 4.4Å; V602-A783 HydrophobicContact CG1-CB 3.91Å; W662-A783 HydrophobicContact CH2-CB 3.94Å; F779-A783 WeakPolarHBondContact O-CB 3.4Å; F779-A783 PolarHBondContact O-N 2.93Å; M780-A783 PolarHBondContact O-N 3.29Å; A783-M785 PolarHBondContact O-N 3.46Å; A783-A786 PolarHBondContact O-N 2.84Å; A783-V787 WeakPolarHBondContact O-CB 3.33Å; A783-V787 WeakPolarHBondContact O-CG2 3.26Å; A783-V787 PolarHBondContact O-N 3.01Å; A783-F893 HydrophobicContact CB-CD1 4.44Å; A783-T894 HydrophobicContact CB-CG2 3.77Å
784	N	98.8	Very high	97.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-45.1	-179.6	-78.9	-29.8	0	0	0	112.3	M780 L781 A788 Y890 T891 F893 T894	M780-N784 VanDerWaalsContact O-CB 3.3Å; M780-N784 WeakPolarHBondContact O-CB 3.4Å; M780-N784 VanDerWaalsContact O-CG 3.29Å; M780-N784 PolarHBondContact O-N 2.94Å; M780-N784 PolarHBondContact O-ND2 3.41Å; L781-N784 PolarHBondContact O-N 3.29Å; N784-A788 WeakPolarHBondContact O-CB 3.41Å; N784-A788 PolarHBondContact O-N 2.93Å; N784-Y890 HydrophobicContact CB-CD2 4.12Å; N784-Y890 HydrophobicContact CB-CE2 3.43Å; N784-Y890 VanDerWaalsContact CB-CE2 3.43Å; N784-Y890 PolarHBondContact ND2-OH 3.13Å; N784-T891 VanDerWaalsContact CB-O 3.26Å; N784-T891 WeakPolarHBondContact CB-O 3.4Å; N784-T891 VanDerWaalsContact CG-O 3.29Å; N784-T891 PolarHBondContact OD1-O 3.44Å; N784-F893 PolarHBondContact OD1-N 2.79Å; N784-T894 PolarHBondContact ND2-OG1 3.38Å; N784-T894 PolarHBondContact OD1-N 3.3Å
785	M	98.5	Very high	98	Very high	49 Å²	49	24.8 Å²	24.8	24%	0.241	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-42	175.2	-71.4	-175.5	-72.4	0	0	112.9	L781 A783 T789 V887 Y890	L781-M785 HydrophobicContact CB-CE 4.25Å; L781-M785 WeakPolarHBondContact O-CB 3.4Å; L781-M785 WeakPolarHBondContact O-CE 3.38Å; L781-M785 WeakPolarHBondContact O-CG 3.44Å; L781-M785 PolarHBondContact O-N 3.25Å; A783-M785 PolarHBondContact O-N 3.46Å; M785-T789 WeakPolarHBondContact O-CB 3.41Å; M785-T789 PolarHBondContact O-N 3.39Å; M785-T789 PolarHBondContact O-OG1 3.44Å; M785-V887 HydrophobicContact SD-CB 4.34Å; M785-V887 HydrophobicContact SD-CG1 3.72Å; M785-V887 HydrophobicContact SD-CG2 4.49Å; M785-Y890 HydrophobicContact CG-CD2 4.02Å
786	A	98.6	Very high	97.8	Very high	8 Å²	8	27.8 Å²	27.8	7%	0.066	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-42	-179.9	0	0	0	0	0	111.8	W662 F675 L782 A783 H790	W662-A786 HydrophobicContact CZ2-CB 4.02Å; F675-A786 HydrophobicContact CE1-CB 4.14Å; F675-A786 HydrophobicContact CZ-CB 4.03Å; F675-A786 WeakPolarHBondContact CZ-O 3.43Å; L782-A786 WeakPolarHBondContact O-CB 3.36Å; L782-A786 PolarHBondContact O-N 2.92Å; A783-A786 PolarHBondContact O-N 2.84Å; A786-H790 PolarHBondContact O-N 3.44Å; A786-H790 VanDerWaalsContact O-N 3.14Å
787	V	98.8	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-70.6	-46.7	176.4	172.9	0	0	0	0	111.3	V660 F675 A783 T789 H790 I791 F893 V905 L909	V660-V787 HydrophobicContact CG2-CG2 4.02Å; F675-V787 HydrophobicContact CD1-CG2 4.14Å; F675-V787 HydrophobicContact CE1-CG2 3.79Å; A783-V787 WeakPolarHBondContact O-CB 3.33Å; A783-V787 WeakPolarHBondContact O-CG2 3.26Å; A783-V787 PolarHBondContact O-N 3.01Å; V787-T789 VanDerWaalsContact C-N 3.27Å; V787-T789 PolarHBondContact O-N 3.42Å; V787-H790 WeakPolarHBondContact O-CA 3.33Å; V787-H790 WeakPolarHBondContact O-CB 3.38Å; V787-H790 PolarHBondContact O-N 2.88Å; V787-I791 HydrophobicContact CG1-CG2 4.1Å; V787-I791 WeakPolarHBondContact O-CG1 3.18Å; V787-I791 PolarHBondContact O-N 3.4Å; V787-F893 HydrophobicContact CB-CB 4.27Å; V787-F893 HydrophobicContact CB-CG 4.24Å; V787-F893 HydrophobicContact CG1-CB 4.09Å; V787-F893 HydrophobicContact CG1-CD2 4.05Å; V787-F893 HydrophobicContact CG1-CG 4.09Å; V787-F893 HydrophobicContact CG2-CB 4.4Å; V787-F893 HydrophobicContact CG2-CD1 3.82Å; V787-F893 HydrophobicContact CG2-CD2 4.15Å; V787-F893 HydrophobicContact CG2-CE1 4.08Å; V787-F893 HydrophobicContact CG2-CE2 4.4Å; V787-F893 HydrophobicContact CG2-CG 3.86Å; V787-F893 HydrophobicContact CG2-CZ 4.37Å; V787-V905 HydrophobicContact CG1-CG1 3.49Å; V787-V905 VanDerWaalsContact CG1-CG1 3.49Å; V787-L909 HydrophobicContact CG1-CD1 4.37Å; V787-L909 HydrophobicContact CG1-CD2 4.13Å; V787-L909 HydrophobicContact CG2-CD2 3.88Å
788	A	98.6	Very high	97.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-51.9	-46.5	175.2	0	0	0	0	0	112	N784 H790 Y792 L801 L889 T891	N784-A788 WeakPolarHBondContact O-CB 3.41Å; N784-A788 PolarHBondContact O-N 2.93Å; A788-H790 PolarHBondContact O-N 2.82Å; A788-Y792 VanDerWaalsContact O-CB 3.3Å; A788-Y792 WeakPolarHBondContact O-CB 3.43Å; A788-Y792 PolarHBondContact O-N 2.8Å; A788-Y792 VanDerWaalsContact O-N 3.1Å; A788-L801 HydrophobicContact CB-CD2 3.85Å; A788-L889 HydrophobicContact CB-CB 4.39Å; A788-T891 HydrophobicContact CB-CG2 3.81Å
789	T	98.3	Very high	97.7	Very high	63 Å²	63	33.1 Å²	33.1	39%	0.387	17%	0.169	S	C	.	.	H	α-helix	trans	-64.6	-37.9	177	-54.8	0	0	0	0	112.2	M785 V787 R793	M785-T789 WeakPolarHBondContact O-CB 3.41Å; M785-T789 PolarHBondContact O-N 3.39Å; M785-T789 PolarHBondContact O-OG1 3.44Å; V787-T789 VanDerWaalsContact C-N 3.27Å; V787-T789 PolarHBondContact O-N 3.42Å; T789-R793 WeakPolarHBondContact O-CB 3.49Å; T789-R793 PolarHBondContact O-N 2.84Å
790	H	98.4	Very high	97.6	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.111	17%	0.169	C	C	.	.	H	α-helix	trans	-67.6	-56.3	177.8	-167.6	127.1	0	0	0	111.3	F675 A786 V787 A788 Y792 R793 T794 L909 S912	F675-H790 AromaticContact CD2-ND1 3.44Å; F675-H790 WeakPolarHBondContact CD2-ND1 3.32Å; F675-H790 HydrophobicContact CE2-CB 4.38Å; F675-H790 AromaticContact CE2-ND1 3.37Å; F675-H790 WeakPolarHBondContact CE2-ND1 3.48Å; F675-H790 HydrophobicContact CZ-CB 4.13Å; F675-H790 AromaticContact CZ-ND1 3.97Å; A786-H790 PolarHBondContact O-N 3.44Å; A786-H790 VanDerWaalsContact O-N 3.14Å; V787-H790 WeakPolarHBondContact O-CA 3.33Å; V787-H790 WeakPolarHBondContact O-CB 3.38Å; V787-H790 PolarHBondContact O-N 2.88Å; A788-H790 PolarHBondContact O-N 2.82Å; H790-Y792 VanDerWaalsContact C-N 3.32Å; H790-Y792 PolarHBondContact O-N 3.34Å; H790-R793 PolarHBondContact O-N 3.29Å; H790-T794 PolarHBondContact O-N 3.42Å; H790-T794 VanDerWaalsContact O-N 3.13Å; H790-T794 PolarHBondContact O-OG1 3.4Å; H790-L909 HydrophobicContact CB-CD1 4.33Å; H790-S912 PolarHBondContact CD2-OG 3.11Å; H790-S912 PolarHBondContact NE2-OG 3.16Å
791	I	98	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-36.1	-173.7	67.6	-178.2	0	0	0	111.5	V787 T794 F795 A799 L801 T891 V905 L908 L909	V787-I791 HydrophobicContact CG1-CG2 4.1Å; V787-I791 WeakPolarHBondContact O-CG1 3.18Å; V787-I791 PolarHBondContact O-N 3.4Å; I791-T794 PolarHBondContact O-N 3.34Å; I791-F795 WeakPolarHBondContact O-CA 3.39Å; I791-F795 WeakPolarHBondContact O-CB 3.41Å; I791-F795 PolarHBondContact O-N 2.73Å; I791-A799 HydrophobicContact CD1-CB 4.41Å; I791-A799 HydrophobicContact CG1-CB 4.03Å; I791-L801 HydrophobicContact CD1-CD2 4.27Å; I791-L801 HydrophobicContact CG1-CD2 4.39Å; I791-T891 HydrophobicContact CD1-CG2 4.25Å; I791-V905 HydrophobicContact CD1-CG1 3.99Å; I791-V905 HydrophobicContact CD1-CG2 4.09Å; I791-L908 HydrophobicContact CB-CB 4.47Å; I791-L908 HydrophobicContact CD1-CD1 4.48Å; I791-L908 HydrophobicContact CG2-CB 4.18Å; I791-L909 HydrophobicContact CG2-CB 4.26Å; I791-L909 HydrophobicContact CG2-CD1 4.17Å
792	Y	97.2	Very high	97.6	Very high	35 Å²	35	32.9 Å²	32.9	14%	0.137	17%	0.167	C	C	.	.	H	α-helix	trans	-67.3	-38.3	175.6	179.6	-115.9	0	0	0	112.6	A788 H790 T794 P796 A799 L801 T871 K877 F880 L889	A788-Y792 VanDerWaalsContact O-CB 3.3Å; A788-Y792 WeakPolarHBondContact O-CB 3.43Å; A788-Y792 PolarHBondContact O-N 2.8Å; A788-Y792 VanDerWaalsContact O-N 3.1Å; H790-Y792 VanDerWaalsContact C-N 3.32Å; H790-Y792 PolarHBondContact O-N 3.34Å; Y792-T794 VanDerWaalsContact C-N 3.33Å; Y792-T794 PolarHBondContact O-N 2.81Å; Y792-P796 HydrophobicContact CE2-CB 4.12Å; Y792-P796 WeakPolarHBondContact CE2-O 3.15Å; Y792-P796 VanDerWaalsContact O-CA 3.23Å; Y792-P796 WeakPolarHBondContact O-CA 3.18Å; Y792-A799 HydrophobicContact CD2-CB 4.39Å; Y792-L801 HydrophobicContact CD2-CD1 4.47Å; Y792-T871 HydrophobicContact CD2-CG2 3.79Å; Y792-T871 HydrophobicContact CE2-CG2 4.04Å; Y792-K877 VanDerWaalsContact OH-CE 3.24Å; Y792-K877 WeakPolarHBondContact OH-CE 3.23Å; Y792-K877 PolarHBondContact OH-NZ 3.44Å; Y792-F880 HydrophobicContact CD2-CE2 4.37Å; Y792-F880 AromaticContact CE2-CE2 3.73Å; Y792-F880 HydrophobicContact CE2-CE2 3.73Å; Y792-L889 HydrophobicContact CD1-CD1 3.77Å; Y792-L889 HydrophobicContact CD1-CD2 4.11Å; Y792-L889 HydrophobicContact CG-CD1 4.39Å; Y792-L889 HydrophobicContact CG-CD2 4.41Å
793	R	97.3	Very high	97.4	Very high	192 Å²	192	32.9 Å²	32.9	73%	0.725	17%	0.166	S	C	*	.	H	α-helix	trans	-65.3	-36.8	177.2	-171	-176.7	69	162.6	2.4	112.1	T789 H790	T789-R793 WeakPolarHBondContact O-CB 3.49Å; T789-R793 PolarHBondContact O-N 2.84Å; H790-R793 PolarHBondContact O-N 3.29Å
794	T	97.3	Very high	97.3	Very high	55 Å²	55	33.5 Å²	33.5	34%	0.337	17%	0.169	S	C	.	.	H	α-helix	trans	-85.9	-34.6	-178.6	-52.5	0	0	0	0	112.8	H790 I791 Y792	H790-T794 PolarHBondContact O-N 3.42Å; H790-T794 VanDerWaalsContact O-N 3.13Å; H790-T794 PolarHBondContact O-OG1 3.4Å; I791-T794 PolarHBondContact O-N 3.34Å; Y792-T794 VanDerWaalsContact C-N 3.33Å; Y792-T794 PolarHBondContact O-N 2.81Å
795	F	96.4	Very high	97	Very high	43 Å²	43	34.6 Å²	34.6	19%	0.189	18%	0.177	C	C	.	.			trans	-129.4	65.8	-176.3	-57	-62.4	0	0	0	111.7	I791 T797 L798 A799 L908 A911	I791-F795 WeakPolarHBondContact O-CA 3.39Å; I791-F795 WeakPolarHBondContact O-CB 3.41Å; I791-F795 PolarHBondContact O-N 2.73Å; F795-T797 PolarHBondContact O-N 3.1Å; F795-L798 HydrophobicContact CB-CB 4.27Å; F795-L798 PolarHBondContact O-N 3.08Å; F795-A799 PolarHBondContact O-N 2.79Å; F795-L908 HydrophobicContact CD2-CD2 4.02Å; F795-L908 WeakPolarHBondContact CE2-O 3.23Å; F795-L908 HydrophobicContact CG-CD2 4.46Å; F795-A911 HydrophobicContact CE2-CB 4.14Å; F795-A911 HydrophobicContact CZ-CB 3.97Å
796	P	94.6	Very high	96.8	Very high	64 Å²	64	36.2 Å²	36.2	42%	0.416	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.3	-170.5	24.3	-35.4	0	0	0	114.8	Y792 T871	Y792-P796 HydrophobicContact CE2-CB 4.12Å; Y792-P796 WeakPolarHBondContact CE2-O 3.15Å; Y792-P796 VanDerWaalsContact O-CA 3.23Å; Y792-P796 WeakPolarHBondContact O-CA 3.18Å; P796-T871 VanDerWaalsContact C-OG1 3.25Å; P796-T871 WeakPolarHBondContact O-CB 3.49Å; P796-T871 PolarHBondContact O-OG1 3.25Å
797	T	94.3	Very high	96.5	Very high	96 Å²	96	36.7 Å²	36.7	59%	0.589	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.8	12.9	178.2	61.6	0	0	0	0	113.8	F795 G872 A923	F795-T797 PolarHBondContact O-N 3.1Å; T797-G872 WeakPolarHBondContact O-CA 3.49Å; T797-G872 PolarHBondContact O-N 3.06Å; T797-A923 WeakPolarHBondContact O-CB 3.47Å
798	L	96.4	Very high	96	Very high	33 Å²	33	39.2 Å²	39.2	17%	0.173	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.5	-4	-178.9	-165.7	60.6	0	0	0	113.5	F795 L800 L908 L919 A923 V926	F795-L798 HydrophobicContact CB-CB 4.27Å; F795-L798 PolarHBondContact O-N 3.08Å; L798-L800 PolarHBondContact O-N 2.98Å; L798-L908 HydrophobicContact CG-CD2 4.42Å; L798-L919 HydrophobicContact CD2-CD2 4.39Å; L798-L919 HydrophobicContact CG-CD2 4.41Å; L798-A923 HydrophobicContact CD1-CB 4.28Å; L798-V926 HydrophobicContact CD1-CB 4.38Å; L798-V926 HydrophobicContact CD1-CG2 3.71Å
799	A	97.1	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.			trans	-62	131.5	176.6	0	0	0	0	0	111.2	I791 Y792 F795 L801 C870 T871	I791-A799 HydrophobicContact CD1-CB 4.41Å; I791-A799 HydrophobicContact CG1-CB 4.03Å; Y792-A799 HydrophobicContact CD2-CB 4.39Å; F795-A799 PolarHBondContact O-N 2.79Å; A799-L801 HydrophobicContact CB-CG 4.32Å; A799-C870 WeakPolarHBondContact O-CA 3.46Å; A799-T871 HydrophobicContact CB-CG2 4Å; A799-T871 PolarHBondContact N-OG1 2.95Å; A799-T871 PolarHBondContact O-N 3.49Å
800	L	98.1	Very high	95.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116.2	166.3	-176	63.1	0	0	0	108.3	L798 T891 P901 I904 V905 L908 V926 A930	L798-L800 PolarHBondContact O-N 2.98Å; L800-T891 PolarHBondContact O-OG1 3.37Å; L800-P901 HydrophobicContact CD2-CB 3.87Å; L800-I904 HydrophobicContact CB-CG2 4.17Å; L800-I904 HydrophobicContact CD2-CB 3.78Å; L800-I904 HydrophobicContact CD2-CD1 3.87Å; L800-I904 HydrophobicContact CD2-CG1 4.39Å; L800-I904 HydrophobicContact CD2-CG2 3.89Å; L800-V905 HydrophobicContact CB-CG2 4.23Å; L800-L908 HydrophobicContact CB-CD1 4.33Å; L800-V926 HydrophobicContact CB-CG1 4.22Å; L800-V926 HydrophobicContact CD1-CG1 4.15Å; L800-A930 HydrophobicContact CD1-CB 3.69Å
801	L	98.2	Very high	94.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	169.9	-179.5	-65.4	-172.8	0	0	0	110.7	A788 I791 Y792 A799 Y868 F869 T871 F880 L889 Y890	A788-L801 HydrophobicContact CB-CD2 3.85Å; I791-L801 HydrophobicContact CD1-CD2 4.27Å; I791-L801 HydrophobicContact CG1-CD2 4.39Å; Y792-L801 HydrophobicContact CD2-CD1 4.47Å; A799-L801 HydrophobicContact CB-CG 4.32Å; L801-Y868 CarbonylContact O-C 3.22Å; L801-Y868 VanDerWaalsContact O-CA 3.25Å; L801-Y868 WeakPolarHBondContact O-CA 3.49Å; L801-F869 HydrophobicContact CB-CD1 4.12Å; L801-F869 HydrophobicContact CB-CE1 3.43Å; L801-F869 VanDerWaalsContact CB-CE1 3.43Å; L801-F869 HydrophobicContact CB-CE2 4.37Å; L801-F869 HydrophobicContact CB-CZ 3.6Å; L801-F869 HydrophobicContact CD1-CZ 4Å; L801-F869 HydrophobicContact CG-CZ 4.39Å; L801-F869 PolarHBondContact N-O 3.07Å; L801-F869 WeakPolarHBondContact O-CD1 3.44Å; L801-F869 PolarHBondContact O-N 2.99Å; L801-T871 HydrophobicContact CB-CG2 4.42Å; L801-T871 HydrophobicContact CD1-CG2 3.43Å; L801-T871 VanDerWaalsContact CD1-CG2 3.43Å; L801-T871 HydrophobicContact CG-CG2 3.76Å; L801-F880 HydrophobicContact CD1-CD2 4.07Å; L801-F880 HydrophobicContact CD1-CE2 4.46Å; L801-L889 HydrophobicContact CD1-CD2 3.75Å; L801-Y890 WeakPolarHBondContact CA-O 3.44Å; L801-Y890 WeakPolarHBondContact CB-O 3.13Å
802	R	97.6	Very high	94.4	Very high	9 Å²	9	45.8 Å²	45.8	3%	0.034	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.6	175.8	-178.6	176.8	177.9	71.1	0.3	109.3	E152 A866 L867 Y868 Y890 H892	E152-R802 IonicContact OE1-CZ 2.72Å; E152-R802 IonicContact OE1-NE 2.72Å; E152-R802 PolarHBondContact OE1-NE 3.46Å; E152-R802 IonicContact OE1-NH2 2.82Å; E152-R802 PolarHBondContact OE1-NH2 3.34Å; R802-A866 PolarHBondContact NH1-O 3.37Å; R802-A866 PolarHBondContact NH2-O 3.34Å; R802-L867 CarbonylContact C-O 3.59Å; R802-L867 VanDerWaalsContact CA-O 3.29Å; R802-L867 WeakPolarHBondContact CA-O 3.38Å; R802-Y868 HydrophobicContact CB-CD1 3.96Å; R802-Y868 HydrophobicContact CB-CE1 4.25Å; R802-Y868 HydrophobicContact CG-CD1 4.24Å; R802-Y868 HydrophobicContact CG-CE1 4.33Å; R802-Y890 HydrophobicContact CB-CD1 4.15Å; R802-Y890 HydrophobicContact CG-CD1 4.32Å; R802-Y890 PolarHBondContact N-O 2.94Å; R802-H892 VanDerWaalsContact CD-CE1 3.43Å; R802-H892 WeakPolarHBondContact CD-CE1 3.42Å; R802-H892 WeakPolarHBondContact CD-NE2 3.39Å; R802-H892 PolarHBondContact NE-CE1 2.66Å
803	H	95.4	Very high	94.1	Very high	16 Å²	16	50.7 Å²	50.7	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	164	177.1	81.4	120.9	0	0	0	111.1	A866 L867 F869 H879 F880	H803-A866 CarbonylContact O-C 3.38Å; H803-A866 WeakPolarHBondContact O-CA 3.38Å; H803-A866 WeakPolarHBondContact O-CB 3.16Å; H803-L867 PolarHBondContact CD2-O 3.08Å; H803-L867 PolarHBondContact N-O 3.26Å; H803-L867 PolarHBondContact O-N 2.93Å; H803-F869 HydrophobicContact CB-CD1 4.19Å; H803-F869 HydrophobicContact CB-CE1 3.69Å; H803-F869 HydrophobicContact CB-CZ 4.47Å; H803-F869 AromaticContact CD2-CD1 3.59Å; H803-F869 AromaticContact CD2-CE1 4Å; H803-H879 WeakPolarHBondContact CB-O 3.22Å; H803-H879 PolarHBondContact ND1-O 3.41Å; H803-F880 WeakPolarHBondContact CB-O 3.43Å
804	H	95.4	Very high	93.7	Very high	14 Å²	14	44.5 Å²	44.5	7%	0.065	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-135.3	107.1	177.4	-175.7	159.5	0	0	0	107.3	E152 Q864 A866 H881 H882 Y883	E152-H804 IonicContact OE2-ND1 2.71Å; H804-Q864 PolarHBondContact NE2-O 3.13Å; H804-A866 HydrophobicContact CB-CB 3.77Å; H804-H881 PolarHBondContact N-O 3.36Å; H804-H882 HydrophobicContact CB-CB 4.32Å; H804-H882 WeakPolarHBondContact CB-ND1 3.03Å; H804-H882 AromaticContact CG-CE1 3.99Å; H804-H882 AromaticContact ND1-CE1 3.57Å; H804-H882 AromaticContact ND1-ND1 3.97Å; H804-Y883 VanDerWaalsContact O-CB 3.29Å; H804-Y883 WeakPolarHBondContact O-CB 3.45Å; H804-Y883 PolarHBondContact O-N 3.36Å
805	P	93.1	Very high	93.4	Very high	24 Å²	24	42.5 Å²	42.5	16%	0.156	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-58.4	155.6	178.2	-24.1	33.9	0	0	0	113.3	Q864	P805-Q864 HydrophobicContact CB-CB 4.14Å; P805-Q864 HydrophobicContact CB-CG 4.49Å; P805-Q864 HydrophobicContact CG-CB 4.4Å
806	P	93.1	Very high	93.3	Very high	83 Å²	83	44.2 Å²	44.2	54%	0.539	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-62.5	161.2	170.2	29.3	-35.8	0	0	0	111.6	Q864 Y883	P806-Q864 PolarHBondContact O-NE2 3.25Å; P806-Y883 HydrophobicContact CB-CD2 4.02Å; P806-Y883 HydrophobicContact CB-CE2 4.29Å
807	P	93	Very high	93.1	Very high	17 Å²	17	44.5 Å²	44.5	11%	0.11	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-66.6	157.1	-178.8	-14.1	29.4	0	0	0	111.6	A809 V812 P862 M863 Y883	P807-A809 PolarHBondContact O-N 2.82Å; P807-A809 VanDerWaalsContact O-N 3.09Å; P807-V812 HydrophobicContact CB-CG2 3.67Å; P807-V812 HydrophobicContact CG-CG2 4.4Å; P807-P862 CarbonylContact C-O 3.57Å; P807-P862 VanDerWaalsContact CA-O 3.28Å; P807-P862 WeakPolarHBondContact CA-O 3.43Å; P807-P862 HydrophobicContact CB-CB 3.98Å; P807-P862 WeakPolarHBondContact CB-O 3.29Å; P807-M863 HydrophobicContact CB-CE 4.01Å; P807-M863 HydrophobicContact CB-SD 4.25Å; P807-M863 HydrophobicContact CG-CE 3.46Å; P807-M863 VanDerWaalsContact CG-CE 3.46Å; P807-M863 HydrophobicContact CG-SD 3.7Å; P807-Y883 HydrophobicContact CG-CD1 4.15Å; P807-Y883 HydrophobicContact CG-CE1 3.48Å; P807-Y883 VanDerWaalsContact CG-CE1 3.48Å; P807-Y883 HydrophobicContact CG-CE2 4.43Å
808	K	89.3	Confident	92.9	Very high	53 Å²	53	42.2 Å²	42.2	23%	0.23	23%	0.226	C	C	.	.			trans	-62.8	111.1	177.7	-81.9	179.2	169.2	-87.6	0	110.8	D319 K810 L811 V812 P862 Q864	D319-K808 IonicContact OD1-NZ 3.79Å; D319-K808 PolarHBondContact OD1-NZ 3.44Å; K808-K810 VanDerWaalsContact C-N 3.28Å; K808-K810 PolarHBondContact O-N 3.08Å; K808-K810 VanDerWaalsContact O-N 3.14Å; K808-L811 HydrophobicContact CB-CB 4.34Å; K808-L811 HydrophobicContact CB-CD1 4.1Å; K808-L811 HydrophobicContact CB-CG 4.19Å; K808-L811 HydrophobicContact CD-CD1 4.07Å; K808-L811 PolarHBondContact O-N 3.39Å; K808-V812 PolarHBondContact O-N 3.44Å; K808-P862 PolarHBondContact N-O 3.11Å; K808-Q864 HydrophobicContact CG-CG 4.45Å
809	A	90.2	Very high	92.6	Very high	72 Å²	72	40.7 Å²	40.7	60%	0.595	22%	0.219	S	C	*	.	H	α-helix	trans	-55.9	-36.4	-170.4	0	0	0	0	0	114.1	P807 V812 K813	P807-A809 PolarHBondContact O-N 2.82Å; P807-A809 VanDerWaalsContact O-N 3.09Å; A809-V812 PolarHBondContact O-N 2.62Å; A809-K813 WeakPolarHBondContact O-CB 3.43Å; A809-K813 PolarHBondContact O-N 2.91Å
810	K	86.5	Confident	92.3	Very high	69 Å²	69	45 Å²	45	30%	0.3	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-47.1	174.4	175.9	173.6	173.7	-67	0	112.4	T320 R321 K808 V812 K813 E814	T320-K810 WeakPolarHBondContact O-CD 3.29Å; R321-K810 HydrophobicContact CG-CD 4.26Å; K808-K810 VanDerWaalsContact C-N 3.28Å; K808-K810 PolarHBondContact O-N 3.08Å; K808-K810 VanDerWaalsContact O-N 3.14Å; K810-V812 VanDerWaalsContact C-N 3.34Å; K810-K813 PolarHBondContact O-N 3.16Å; K810-E814 WeakPolarHBondContact CE-OE1 3.46Å; K810-E814 WeakPolarHBondContact CG-OE1 3.24Å; K810-E814 IonicContact NZ-OE1 3.7Å; K810-E814 PolarHBondContact NZ-OE1 3.42Å; K810-E814 IonicContact NZ-OE2 2.83Å; K810-E814 PolarHBondContact NZ-OE2 2.91Å; K810-E814 WeakPolarHBondContact O-CG 3.34Å; K810-E814 PolarHBondContact O-N 2.88Å
811	L	88.9	Confident	91.9	Very high	62 Å²	62	48.4 Å²	48.4	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-69.3	-33.4	-179.4	-61.8	-179	0	0	0	111.7	K808 L815 P862	K808-L811 HydrophobicContact CB-CB 4.34Å; K808-L811 HydrophobicContact CB-CD1 4.1Å; K808-L811 HydrophobicContact CB-CG 4.19Å; K808-L811 HydrophobicContact CD-CD1 4.07Å; K808-L811 PolarHBondContact O-N 3.39Å; L811-L815 WeakPolarHBondContact O-CB 3.23Å; L811-L815 PolarHBondContact O-N 2.91Å; L811-P862 HydrophobicContact CB-CB 3.81Å; L811-P862 HydrophobicContact CB-CG 3.98Å
812	V	92.3	Very high	91.4	Very high	22 Å²	22	50.2 Å²	50.2	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-48.7	170.3	175.6	0	0	0	0	110.8	P807 K808 A809 K810 E814 L815 E816 F828 P862	P807-V812 HydrophobicContact CB-CG2 3.67Å; P807-V812 HydrophobicContact CG-CG2 4.4Å; K808-V812 PolarHBondContact O-N 3.44Å; A809-V812 PolarHBondContact O-N 2.62Å; K810-V812 VanDerWaalsContact C-N 3.34Å; V812-E814 VanDerWaalsContact C-N 3.33Å; V812-E814 PolarHBondContact O-N 3.45Å; V812-L815 PolarHBondContact O-N 3.16Å; V812-E816 WeakPolarHBondContact O-CB 3.39Å; V812-E816 PolarHBondContact O-N 2.73Å; V812-F828 HydrophobicContact CG1-CB 3.54Å; V812-F828 HydrophobicContact CG1-CD1 4.08Å; V812-F828 HydrophobicContact CG1-CG 3.95Å; V812-P862 HydrophobicContact CG2-CB 3.75Å; V812-P862 HydrophobicContact CG2-CG 4.35Å
813	K	91.1	Very high	91	Very high	138 Å²	138	53 Å²	53	60%	0.6	30%	0.298	S	S	*	.	H	α-helix	trans	-64.2	-35.5	179.7	-171.9	174.9	-178.9	178.4	0	112.9	A809 K810 V817	A809-K813 WeakPolarHBondContact O-CB 3.43Å; A809-K813 PolarHBondContact O-N 2.91Å; K810-K813 PolarHBondContact O-N 3.16Å; K813-V817 WeakPolarHBondContact O-CB 3.39Å; K813-V817 VanDerWaalsContact O-CG2 3.3Å; K813-V817 WeakPolarHBondContact O-CG2 3.22Å; K813-V817 PolarHBondContact O-N 3.19Å
814	E	89.6	Confident	90.6	Very high	62 Å²	62	53.1 Å²	53.1	29%	0.29	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-42	173.4	-76.2	165.6	-171.9	0	0	111.7	K810 V812 L818	K810-E814 WeakPolarHBondContact CE-OE1 3.46Å; K810-E814 WeakPolarHBondContact CG-OE1 3.24Å; K810-E814 IonicContact NZ-OE1 3.7Å; K810-E814 PolarHBondContact NZ-OE1 3.42Å; K810-E814 IonicContact NZ-OE2 2.83Å; K810-E814 PolarHBondContact NZ-OE2 2.91Å; K810-E814 WeakPolarHBondContact O-CG 3.34Å; K810-E814 PolarHBondContact O-N 2.88Å; V812-E814 VanDerWaalsContact C-N 3.33Å; V812-E814 PolarHBondContact O-N 3.45Å; E814-L818 PolarHBondContact O-N 3.11Å; E814-L818 VanDerWaalsContact O-N 3.09Å
815	L	91.6	Very high	90.2	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-40.6	175	-179.7	58.9	0	0	0	112.6	L811 V812 V817 L818 C819 F828 M858 P862	L811-L815 WeakPolarHBondContact O-CB 3.23Å; L811-L815 PolarHBondContact O-N 2.91Å; V812-L815 PolarHBondContact O-N 3.16Å; L815-V817 PolarHBondContact O-N 3.39Å; L815-L818 WeakPolarHBondContact O-CB 3.41Å; L815-L818 PolarHBondContact O-N 3.37Å; L815-C819 PolarHBondContact O-N 3.31Å; L815-C819 PolarHBondContact O-SG 3.27Å; L815-C819 VanDerWaalsContact O-SG 3.35Å; L815-F828 HydrophobicContact CD2-CE1 3.75Å; L815-F828 HydrophobicContact CD2-CZ 3.96Å; L815-F828 HydrophobicContact CG-CE1 4.12Å; L815-F828 HydrophobicContact CG-CZ 3.84Å; L815-M858 HydrophobicContact CD1-CB 3.92Å; L815-M858 HydrophobicContact CD2-CB 4.5Å; L815-P862 HydrophobicContact CD2-CG 4.24Å
816	E	93	Very high	90.2	Very high	78 Å²	78	58.5 Å²	58.5	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-58.5	-46.5	174.7	178.5	-176	-151.9	0	0	111.2	V812 L818 C819 N820 F828	V812-E816 WeakPolarHBondContact O-CB 3.39Å; V812-E816 PolarHBondContact O-N 2.73Å; E816-L818 VanDerWaalsContact C-N 3.32Å; E816-L818 PolarHBondContact O-N 2.8Å; E816-C819 PolarHBondContact O-N 3.2Å; E816-N820 WeakPolarHBondContact O-CB 3.24Å; E816-N820 PolarHBondContact O-N 2.6Å; E816-N820 PolarHBondContact O-ND2 2.83Å; E816-F828 HydrophobicContact CB-CD2 3.85Å; E816-F828 HydrophobicContact CB-CE2 4.12Å; E816-F828 HydrophobicContact CG-CD2 4.15Å
817	V	91.1	Very high	90.2	Very high	71 Å²	71	57.6 Å²	57.6	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-38.1	175.7	167.7	0	0	0	0	111.6	K813 L815 Q821	K813-V817 WeakPolarHBondContact O-CB 3.39Å; K813-V817 VanDerWaalsContact O-CG2 3.3Å; K813-V817 WeakPolarHBondContact O-CG2 3.22Å; K813-V817 PolarHBondContact O-N 3.19Å; L815-V817 PolarHBondContact O-N 3.39Å; V817-Q821 VanDerWaalsContact CG1-NE2 3.27Å; V817-Q821 VanDerWaalsContact O-CG 3.3Å; V817-Q821 WeakPolarHBondContact O-CG 3.43Å; V817-Q821 PolarHBondContact O-N 3.45Å; V817-Q821 VanDerWaalsContact O-N 3.12Å
818	L	89.4	Confident	90.3	Very high	47 Å²	47	57.8 Å²	57.8	25%	0.246	32%	0.317	C	S	.	.	H	α-helix	trans	-67.3	-47.3	175.9	-179.4	61.6	0	0	0	112.2	E814 L815 E816 N820 Q821 L822 I1031	E814-L818 PolarHBondContact O-N 3.11Å; E814-L818 VanDerWaalsContact O-N 3.09Å; L815-L818 WeakPolarHBondContact O-CB 3.41Å; L815-L818 PolarHBondContact O-N 3.37Å; E816-L818 VanDerWaalsContact C-N 3.32Å; E816-L818 PolarHBondContact O-N 2.8Å; L818-N820 VanDerWaalsContact C-N 3.33Å; L818-N820 PolarHBondContact O-N 2.95Å; L818-Q821 PolarHBondContact O-N 2.6Å; L818-Q821 VanDerWaalsContact O-N 3.16Å; L818-L822 HydrophobicContact CD1-CD1 3.91Å; L818-L822 HydrophobicContact CD1-CG 4.31Å; L818-L822 HydrophobicContact CG-CD1 3.92Å; L818-L822 WeakPolarHBondContact O-CG 3.21Å; L818-L822 PolarHBondContact O-N 3.05Å; L818-I1031 HydrophobicContact CD1-CD1 3.92Å
819	C	91.2	Very high	90.5	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.014	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-45.4	177.8	-71.2	0	0	0	0	111.3	L815 E816 Q821 L822 G823 L824	L815-C819 PolarHBondContact O-N 3.31Å; L815-C819 PolarHBondContact O-SG 3.27Å; L815-C819 VanDerWaalsContact O-SG 3.35Å; E816-C819 PolarHBondContact O-N 3.2Å; C819-Q821 VanDerWaalsContact C-N 3.35Å; C819-Q821 PolarHBondContact O-N 3.11Å; C819-L822 CarbonylContact O-C 3.56Å; C819-L822 PolarHBondContact O-N 2.57Å; C819-L822 VanDerWaalsContact O-N 3.07Å; C819-G823 PolarHBondContact O-N 3.11Å; C819-L824 CarbonylContact C-O 3.49Å; C819-L824 HydrophobicContact CB-CB 4.1Å; C819-L824 WeakPolarHBondContact CB-O 3.43Å; C819-L824 WeakPolarHBondContact O-CA 3.33Å; C819-L824 WeakPolarHBondContact O-CB 3.48Å; C819-L824 PolarHBondContact O-N 3.04Å
820	N	90.3	Very high	90.7	Very high	89 Å²	89	59.6 Å²	59.6	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-37.8	175.8	-79	-71.5	0	0	0	113	E816 L818 L822 G823	E816-N820 WeakPolarHBondContact O-CB 3.24Å; E816-N820 PolarHBondContact O-N 2.6Å; E816-N820 PolarHBondContact O-ND2 2.83Å; L818-N820 VanDerWaalsContact C-N 3.33Å; L818-N820 PolarHBondContact O-N 2.95Å; N820-L822 VanDerWaalsContact C-N 3.27Å; N820-L822 PolarHBondContact O-N 2.96Å; N820-G823 PolarHBondContact O-N 2.63Å
821	Q	88.8	Confident	91.2	Very high	74 Å²	74	56.4 Å²	56.4	35%	0.346	31%	0.314	S	S	.	.	H	α-helix	trans	-66.5	-28.3	173.7	-74.5	172.3	28.2	0	0	113	V817 L818 C819 G823 V1008	V817-Q821 VanDerWaalsContact CG1-NE2 3.27Å; V817-Q821 VanDerWaalsContact O-CG 3.3Å; V817-Q821 WeakPolarHBondContact O-CG 3.43Å; V817-Q821 PolarHBondContact O-N 3.45Å; V817-Q821 VanDerWaalsContact O-N 3.12Å; L818-Q821 PolarHBondContact O-N 2.6Å; L818-Q821 VanDerWaalsContact O-N 3.16Å; C819-Q821 VanDerWaalsContact C-N 3.35Å; C819-Q821 PolarHBondContact O-N 3.11Å; Q821-G823 VanDerWaalsContact C-N 3.3Å; Q821-V1008 HydrophobicContact CB-CG2 4.4Å; Q821-V1008 WeakPolarHBondContact O-CG2 3.01Å
822	L	88.6	Confident	91.5	Very high	38 Å²	38	53.5 Å²	53.5	20%	0.199	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	11.2	176.9	-61.9	170.4	0	0	0	112.8	L818 C819 N820 L824 V1008 I1031 F1032	L818-L822 HydrophobicContact CD1-CD1 3.91Å; L818-L822 HydrophobicContact CD1-CG 4.31Å; L818-L822 HydrophobicContact CG-CD1 3.92Å; L818-L822 WeakPolarHBondContact O-CG 3.21Å; L818-L822 PolarHBondContact O-N 3.05Å; C819-L822 CarbonylContact O-C 3.56Å; C819-L822 PolarHBondContact O-N 2.57Å; C819-L822 VanDerWaalsContact O-N 3.07Å; N820-L822 VanDerWaalsContact C-N 3.27Å; N820-L822 PolarHBondContact O-N 2.96Å; L822-L824 HydrophobicContact CB-CG 4.43Å; L822-L824 PolarHBondContact O-N 3.04Å; L822-V1008 HydrophobicContact CD2-CG1 3.78Å; L822-V1008 HydrophobicContact CD2-CG2 4.26Å; L822-I1031 HydrophobicContact CD1-CB 4.19Å; L822-I1031 HydrophobicContact CD1-CD1 4.2Å; L822-I1031 HydrophobicContact CD1-CG2 3.79Å; L822-I1031 HydrophobicContact CD2-CB 4.16Å; L822-F1032 HydrophobicContact CB-CE2 4.28Å; L822-F1032 HydrophobicContact CD1-CD2 4.35Å; L822-F1032 HydrophobicContact CD1-CE2 3.64Å; L822-F1032 HydrophobicContact CD1-CZ 4.25Å; L822-F1032 HydrophobicContact CG-CE2 4.47Å
823	G	88.3	Confident	91.7	Very high	68 Å²	68	53.8 Å²	53.8	70%	0.701	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	10.3	-178.9	0	0	0	0	0	114.8	C819 N820 Q821 N825	C819-G823 PolarHBondContact O-N 3.11Å; N820-G823 PolarHBondContact O-N 2.63Å; Q821-G823 VanDerWaalsContact C-N 3.3Å; G823-N825 PolarHBondContact O-N 3.11Å
824	L	88.8	Confident	91.8	Very high	18 Å²	18	47.3 Å²	47.3	9%	0.094	27%	0.273	C	S	.	.			trans	-91.4	99.9	179.8	-60.6	-178.1	0	0	0	110.4	C819 L822 M826 L855 F1032	C819-L824 CarbonylContact C-O 3.49Å; C819-L824 HydrophobicContact CB-CB 4.1Å; C819-L824 WeakPolarHBondContact CB-O 3.43Å; C819-L824 WeakPolarHBondContact O-CA 3.33Å; C819-L824 WeakPolarHBondContact O-CB 3.48Å; C819-L824 PolarHBondContact O-N 3.04Å; L822-L824 HydrophobicContact CB-CG 4.43Å; L822-L824 PolarHBondContact O-N 3.04Å; L824-M826 PolarHBondContact O-N 3.05Å; L824-M826 VanDerWaalsContact O-N 3.13Å; L824-L855 HydrophobicContact CD1-CD1 3.97Å; L824-L855 HydrophobicContact CD1-CD2 3.86Å; L824-L855 HydrophobicContact CD1-CG 4.45Å; L824-F1032 HydrophobicContact CD1-CE2 3.54Å; L824-F1032 HydrophobicContact CD1-CZ 3.76Å
825	N	86.7	Confident	92	Very high	145 Å²	145	45.9 Å²	45.9	78%	0.775	27%	0.266	S	S	*	.			trans	-71.3	102.9	170.9	-173.9	2.3	0	0	0	109.8	G823	G823-N825 PolarHBondContact O-N 3.11Å
826	M	91.6	Very high	92.1	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.03	29%	0.285	C	S	.	.			trans	-125.8	131.4	178.6	-70.3	-170.8	66.7	0	0	110.6	L824 F828 L838 I841 L855	L824-M826 PolarHBondContact O-N 3.05Å; L824-M826 VanDerWaalsContact O-N 3.13Å; M826-F828 HydrophobicContact CB-CD2 4.25Å; M826-F828 HydrophobicContact CB-CE2 3.55Å; M826-F828 HydrophobicContact CB-CZ 3.96Å; M826-F828 HydrophobicContact CE-CE1 4.37Å; M826-F828 HydrophobicContact CE-CZ 4Å; M826-F828 WeakPolarHBondContact O-CD2 3.36Å; M826-F828 HydrophobicContact SD-CZ 4.17Å; M826-L838 HydrophobicContact CE-CD2 3.7Å; M826-L838 HydrophobicContact CE-CG 3.83Å; M826-I841 HydrophobicContact CG-CD1 4.16Å; M826-I841 HydrophobicContact SD-CD1 4.05Å; M826-L855 HydrophobicContact SD-CD2 4.14Å
827	D	93.6	Very high	92	Very high	65 Å²	65	47.6 Å²	47.6	35%	0.348	27%	0.274	S	S	.	.			trans	-91	118.1	176.2	177.9	-27.4	0	0	0	109.9	T829 T833 I834 S837	D827-T829 VanDerWaalsContact OD1-CB 3.29Å; D827-T829 WeakPolarHBondContact OD1-CB 3.41Å; D827-T829 WeakPolarHBondContact OD1-CG2 3.31Å; D827-T829 PolarHBondContact OD1-N 3.49Å; D827-T829 PolarHBondContact OD1-OG1 2.97Å; D827-T833 CarbonylContact O-C 3.48Å; D827-T833 VanDerWaalsContact O-C 3.22Å; D827-T833 WeakPolarHBondContact OD1-CB 3.4Å; D827-T833 PolarHBondContact OD1-OG1 2.65Å; D827-T833 WeakPolarHBondContact OD2-CG2 3.37Å; D827-I834 WeakPolarHBondContact O-CA 3.49Å; D827-I834 PolarHBondContact O-N 2.81Å; D827-I834 VanDerWaalsContact O-N 3.14Å; D827-S837 PolarHBondContact N-OG 2.88Å
828	F	94.6	Very high	91.9	Very high	21 Å²	21	44.5 Å²	44.5	9%	0.092	26%	0.255	C	S	.	.			trans	-103.7	10	179.3	-68.2	-84.9	0	0	0	114.4	V812 L815 E816 M826 S830 I834	V812-F828 HydrophobicContact CG1-CB 3.54Å; V812-F828 HydrophobicContact CG1-CD1 4.08Å; V812-F828 HydrophobicContact CG1-CG 3.95Å; L815-F828 HydrophobicContact CD2-CE1 3.75Å; L815-F828 HydrophobicContact CD2-CZ 3.96Å; L815-F828 HydrophobicContact CG-CE1 4.12Å; L815-F828 HydrophobicContact CG-CZ 3.84Å; E816-F828 HydrophobicContact CB-CD2 3.85Å; E816-F828 HydrophobicContact CB-CE2 4.12Å; E816-F828 HydrophobicContact CG-CD2 4.15Å; M826-F828 HydrophobicContact CB-CD2 4.25Å; M826-F828 HydrophobicContact CB-CE2 3.55Å; M826-F828 HydrophobicContact CB-CZ 3.96Å; M826-F828 HydrophobicContact CE-CE1 4.37Å; M826-F828 HydrophobicContact CE-CZ 4Å; M826-F828 WeakPolarHBondContact O-CD2 3.36Å; M826-F828 HydrophobicContact SD-CZ 4.17Å; F828-S830 VanDerWaalsContact C-N 3.27Å; F828-S830 PolarHBondContact O-N 2.99Å; F828-I834 HydrophobicContact CB-CG1 4.39Å; F828-I834 HydrophobicContact CD1-CD1 3.95Å; F828-I834 HydrophobicContact CD1-CG1 3.78Å; F828-I834 HydrophobicContact CE1-CG1 4.48Å; F828-I834 HydrophobicContact CG-CG1 4.38Å
829	T	94	Very high	91.7	Very high	118 Å²	118	45.6 Å²	45.6	72%	0.724	27%	0.265	S	S	*	.	S	Bend	trans	-67.2	-23.4	-174	62.3	0	0	0	0	114.2	D827 T833	D827-T829 VanDerWaalsContact OD1-CB 3.29Å; D827-T829 WeakPolarHBondContact OD1-CB 3.41Å; D827-T829 WeakPolarHBondContact OD1-CG2 3.31Å; D827-T829 PolarHBondContact OD1-N 3.49Å; D827-T829 PolarHBondContact OD1-OG1 2.97Å; T829-T833 PolarHBondContact OG1-OG1 3.21Å; T829-T833 VanDerWaalsContact OG1-OG1 3.14Å
830	S	95.6	Very high	91.4	Very high	44 Å²	44	47.9 Å²	47.9	31%	0.308	29%	0.285	S	S	.	.	S	Bend	trans	-155.4	162	-177.6	70.7	0	0	0	0	112.3	F828 G832 T833 I834	F828-S830 VanDerWaalsContact C-N 3.27Å; F828-S830 PolarHBondContact O-N 2.99Å; S830-G832 VanDerWaalsContact C-N 3.28Å; S830-G832 PolarHBondContact O-N 3.01Å; S830-T833 PolarHBondContact N-OG1 2.88Å; S830-T833 PolarHBondContact O-N 2.71Å; S830-T833 PolarHBondContact O-OG1 2.87Å; S830-T833 VanDerWaalsContact O-OG1 3.13Å; S830-T833 WeakPolarHBondContact OG-CB 3.25Å; S830-T833 WeakPolarHBondContact OG-CG2 3.48Å; S830-T833 PolarHBondContact OG-N 3.22Å; S830-T833 PolarHBondContact OG-OG1 2.99Å; S830-I834 WeakPolarHBondContact O-CG1 3.41Å; S830-I834 PolarHBondContact O-N 3.26Å
831	A	95.4	Very high	90.5	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-50.6	-49.7	172.9	0	0	0	0	0	111.5	L743 T833 I834 H835 Y883	L743-A831 HydrophobicContact CB-CB 3.75Å; L743-A831 HydrophobicContact CD2-CB 4.36Å; A831-T833 PolarHBondContact O-N 3.33Å; A831-I834 PolarHBondContact O-N 3.01Å; A831-H835 PolarHBondContact O-N 2.87Å; A831-Y883 HydrophobicContact CB-CD1 4.17Å; A831-Y883 HydrophobicContact CB-CD2 4.41Å; A831-Y883 HydrophobicContact CB-CE1 3.84Å; A831-Y883 HydrophobicContact CB-CE2 4.13Å; A831-Y883 HydrophobicContact CB-CG 4.44Å; A831-Y883 VanDerWaalsContact CB-O 3.3Å; A831-Y883 WeakPolarHBondContact CB-O 3.32Å; A831-Y883 PolarHBondContact N-OH 3.37Å
832	G	96.1	Very high	89.3	Confident	2 Å²	2	50.6 Å²	50.6	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-68.9	-27.8	-179.3	0	0	0	0	0	115	G741 S830 K836	G741-G832 WeakPolarHBondContact O-CA 3.31Å; G741-G832 PolarHBondContact O-N 3.46Å; S830-G832 VanDerWaalsContact C-N 3.28Å; S830-G832 PolarHBondContact O-N 3.01Å; G832-K836 WeakPolarHBondContact O-CB 3.4Å; G832-K836 VanDerWaalsContact O-CD 3.31Å; G832-K836 WeakPolarHBondContact O-CD 3.33Å; G832-K836 WeakPolarHBondContact O-CG 3.41Å; G832-K836 PolarHBondContact O-N 3.19Å
833	T	95.9	Very high	88.2	Confident	27 Å²	27	49.8 Å²	49.8	17%	0.166	29%	0.289	C	S	.	.	H	α-helix	trans	-81.1	-33.3	175.7	53.6	0	0	0	0	112.5	D827 T829 S830 A831 H835 K836 S837	D827-T833 CarbonylContact O-C 3.48Å; D827-T833 VanDerWaalsContact O-C 3.22Å; D827-T833 WeakPolarHBondContact OD1-CB 3.4Å; D827-T833 PolarHBondContact OD1-OG1 2.65Å; D827-T833 WeakPolarHBondContact OD2-CG2 3.37Å; T829-T833 PolarHBondContact OG1-OG1 3.21Å; T829-T833 VanDerWaalsContact OG1-OG1 3.14Å; S830-T833 PolarHBondContact N-OG1 2.88Å; S830-T833 PolarHBondContact O-N 2.71Å; S830-T833 PolarHBondContact O-OG1 2.87Å; S830-T833 VanDerWaalsContact O-OG1 3.13Å; S830-T833 WeakPolarHBondContact OG-CB 3.25Å; S830-T833 WeakPolarHBondContact OG-CG2 3.48Å; S830-T833 PolarHBondContact OG-N 3.22Å; S830-T833 PolarHBondContact OG-OG1 2.99Å; A831-T833 PolarHBondContact O-N 3.33Å; T833-H835 VanDerWaalsContact C-N 3.34Å; T833-K836 PolarHBondContact O-N 3.2Å; T833-S837 WeakPolarHBondContact O-CB 3.39Å; T833-S837 PolarHBondContact O-N 2.92Å; T833-S837 PolarHBondContact O-OG 3.22Å
834	I	94.6	Very high	87.3	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-49.4	168	-65.5	169.7	0	0	0	109.4	L743 D827 F828 S830 A831 S837 L838 M863 Y883	L743-I834 HydrophobicContact CD1-CB 4.09Å; L743-I834 HydrophobicContact CD1-CG2 3.76Å; L743-I834 HydrophobicContact CD2-CG2 4.47Å; D827-I834 WeakPolarHBondContact O-CA 3.49Å; D827-I834 PolarHBondContact O-N 2.81Å; D827-I834 VanDerWaalsContact O-N 3.14Å; F828-I834 HydrophobicContact CB-CG1 4.39Å; F828-I834 HydrophobicContact CD1-CD1 3.95Å; F828-I834 HydrophobicContact CD1-CG1 3.78Å; F828-I834 HydrophobicContact CE1-CG1 4.48Å; F828-I834 HydrophobicContact CG-CG1 4.38Å; S830-I834 WeakPolarHBondContact O-CG1 3.41Å; S830-I834 PolarHBondContact O-N 3.26Å; A831-I834 PolarHBondContact O-N 3.01Å; I834-S837 WeakPolarHBondContact O-CB 3.4Å; I834-S837 PolarHBondContact O-N 3Å; I834-L838 HydrophobicContact CG2-CD1 3.88Å; I834-L838 WeakPolarHBondContact O-CG 3.18Å; I834-L838 PolarHBondContact O-N 2.94Å; I834-M863 HydrophobicContact CD1-CE 4.24Å; I834-Y883 WeakPolarHBondContact CD1-OH 3.4Å
835	H	93.5	Very high	87.2	Confident	32 Å²	32	56.4 Å²	56.4	15%	0.148	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-46.6	179	-174.7	63.5	0	0	0	112.4	F738 L743 A831 T833 S837 L838 C839	F738-H835 AromaticContact CD1-CD2 3.41Å; F738-H835 VanDerWaalsContact CD1-CD2 3.41Å; F738-H835 WeakPolarHBondContact CD1-CD2 3.29Å; F738-H835 AromaticContact CD1-CE1 3.95Å; F738-H835 AromaticContact CD1-NE2 3.33Å; F738-H835 VanDerWaalsContact CD1-NE2 3.33Å; F738-H835 WeakPolarHBondContact CD1-NE2 3.47Å; F738-H835 AromaticContact CE1-CE1 3.88Å; F738-H835 AromaticContact CE1-NE2 3.73Å; F738-H835 AromaticContact CG-NE2 3.85Å; L743-H835 HydrophobicContact CD1-CB 3.78Å; A831-H835 PolarHBondContact O-N 2.87Å; T833-H835 VanDerWaalsContact C-N 3.34Å; H835-S837 VanDerWaalsContact C-N 3.28Å; H835-S837 PolarHBondContact O-N 3.48Å; H835-L838 PolarHBondContact O-N 2.69Å; H835-C839 VanDerWaalsContact CE1-SG 3.55Å; H835-C839 WeakPolarHBondContact O-CB 3.48Å; H835-C839 PolarHBondContact O-N 3.44Å; H835-C839 PolarHBondContact O-SG 2.78Å; H835-C839 VanDerWaalsContact O-SG 3.34Å
836	K	92.4	Very high	87.2	Confident	112 Å²	112	54.5 Å²	54.5	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-38.2	175.3	-74.9	164.5	-171.1	171.2	0	112.2	G832 T833 C839 A840	G832-K836 WeakPolarHBondContact O-CB 3.4Å; G832-K836 VanDerWaalsContact O-CD 3.31Å; G832-K836 WeakPolarHBondContact O-CD 3.33Å; G832-K836 WeakPolarHBondContact O-CG 3.41Å; G832-K836 PolarHBondContact O-N 3.19Å; T833-K836 PolarHBondContact O-N 3.2Å; K836-C839 PolarHBondContact O-N 2.76Å; K836-A840 WeakPolarHBondContact O-CB 3.37Å; K836-A840 PolarHBondContact O-N 3.37Å
837	S	92.4	Very high	87.2	Confident	17 Å²	17	58.8 Å²	58.8	12%	0.119	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-48.5	175.8	-57.2	0	0	0	0	111.6	D827 T833 I834 H835 C839 A840 I841	D827-S837 PolarHBondContact N-OG 2.88Å; T833-S837 WeakPolarHBondContact O-CB 3.39Å; T833-S837 PolarHBondContact O-N 2.92Å; T833-S837 PolarHBondContact O-OG 3.22Å; I834-S837 WeakPolarHBondContact O-CB 3.4Å; I834-S837 PolarHBondContact O-N 3Å; H835-S837 VanDerWaalsContact C-N 3.28Å; H835-S837 PolarHBondContact O-N 3.48Å; S837-C839 VanDerWaalsContact C-N 3.3Å; S837-C839 PolarHBondContact O-N 3.1Å; S837-A840 PolarHBondContact O-N 2.77Å; S837-I841 WeakPolarHBondContact O-CG1 3.37Å; S837-I841 PolarHBondContact O-N 3.49Å
838	L	89.1	Confident	86.9	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-37.3	176.4	-71.7	166.5	0	0	0	112.5	L745 M826 I834 H835 R852 L855 C859	L745-L838 HydrophobicContact CD2-CD1 3.5Å; M826-L838 HydrophobicContact CE-CD2 3.7Å; M826-L838 HydrophobicContact CE-CG 3.83Å; I834-L838 HydrophobicContact CG2-CD1 3.88Å; I834-L838 WeakPolarHBondContact O-CG 3.18Å; I834-L838 PolarHBondContact O-N 2.94Å; H835-L838 PolarHBondContact O-N 2.69Å; L838-R852 PolarHBondContact O-NH1 3.34Å; L838-L855 HydrophobicContact CD2-CB 3.7Å; L838-C859 HydrophobicContact CD1-CB 4.45Å
839	C	84.9	Confident	86.5	Confident	70 Å²	70	56.8 Å²	56.8	47%	0.473	30%	0.303	S	S	.	.	H	α-helix	trans	-70.9	-40.7	174.5	-70.6	0	0	0	0	112.5	H835 K836 S837 I841 R852	H835-C839 VanDerWaalsContact CE1-SG 3.55Å; H835-C839 WeakPolarHBondContact O-CB 3.48Å; H835-C839 PolarHBondContact O-N 3.44Å; H835-C839 PolarHBondContact O-SG 2.78Å; H835-C839 VanDerWaalsContact O-SG 3.34Å; K836-C839 PolarHBondContact O-N 2.76Å; S837-C839 VanDerWaalsContact C-N 3.3Å; S837-C839 PolarHBondContact O-N 3.1Å; C839-I841 VanDerWaalsContact C-N 3.29Å; C839-I841 PolarHBondContact O-N 3.2Å; C839-R852 PolarHBondContact O-NH1 2.89Å
840	A	83.7	Confident	86.3	Confident	51 Å²	51	52.9 Å²	52.9	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-74.9	-10	-177.2	0	0	0	0	0	114.8	K836 S837 Y842	K836-A840 WeakPolarHBondContact O-CB 3.37Å; K836-A840 PolarHBondContact O-N 3.37Å; S837-A840 PolarHBondContact O-N 2.77Å; A840-Y842 VanDerWaalsContact O-CD2 3.23Å; A840-Y842 WeakPolarHBondContact O-CD2 3.4Å; A840-Y842 WeakPolarHBondContact O-CE2 3.21Å; A840-Y842 PolarHBondContact O-N 3.16Å
841	I	71.4	Confident	86.1	Confident	19 Å²	19	52.9 Å²	52.9	10%	0.097	27%	0.269	C	S	.	.	S	Bend	trans	-69.8	101.8	170.2	-71	168.9	0	0	0	108.3	M826 S837 C839 R852 L855	M826-I841 HydrophobicContact CG-CD1 4.16Å; M826-I841 HydrophobicContact SD-CD1 4.05Å; S837-I841 WeakPolarHBondContact O-CG1 3.37Å; S837-I841 PolarHBondContact O-N 3.49Å; C839-I841 VanDerWaalsContact C-N 3.29Å; C839-I841 PolarHBondContact O-N 3.2Å; I841-R852 PolarHBondContact O-NH2 2.7Å; I841-R852 VanDerWaalsContact O-NH2 3.16Å; I841-L855 HydrophobicContact CD1-CD1 3.51Å
842	Y	64.6	Low	85.8	Confident	200 Å²	200	56 Å²	56	78%	0.784	28%	0.28	S	S	*	.			trans	-65.5	150.6	-170.4	-61.7	-81.6	0	0	0	113.9	A840 S848 R851	A840-Y842 VanDerWaalsContact O-CD2 3.23Å; A840-Y842 WeakPolarHBondContact O-CD2 3.4Å; A840-Y842 WeakPolarHBondContact O-CE2 3.21Å; A840-Y842 PolarHBondContact O-N 3.16Å; Y842-S848 WeakPolarHBondContact O-CB 3.26Å; Y842-S848 PolarHBondContact O-OG 3.19Å; Y842-S848 VanDerWaalsContact O-OG 3.12Å; Y842-R851 PolarHBondContact O-NH2 3.07Å; Y842-R851 VanDerWaalsContact O-NH2 3.12Å
843	G	64.3	Low	85.4	Confident	22 Å²	22	57.1 Å²	57.1	23%	0.227	29%	0.285	C	S	.	.			trans	130.4	121	165.5	0	0	0	0	0	112.2	D845 S848	G843-D845 VanDerWaalsContact CA-OD2 3.26Å; G843-D845 WeakPolarHBondContact CA-OD2 3.27Å; G843-S848 WeakPolarHBondContact O-CB 3.45Å
844	D	70.2	Confident	85.2	Confident	150 Å²	150	55.9 Å²	55.9	80%	0.802	28%	0.277	S	S	*	.	S	Bend	trans	-88.8	5.4	164.8	-58.9	-41	0	0	0	111
845	D	87.3	Confident	85	Confident	74 Å²	74	55.8 Å²	55.8	40%	0.396	28%	0.277	S	S	.	.	S	Bend	trans	-76.7	156.6	174.7	68.6	91.1	0	0	0	112.2	G843 Y847 S848 V849	G843-D845 VanDerWaalsContact CA-OD2 3.26Å; G843-D845 WeakPolarHBondContact CA-OD2 3.27Å; D845-Y847 VanDerWaalsContact C-N 3.31Å; D845-Y847 PolarHBondContact O-N 3.22Å; D845-Y847 WeakPolarHBondContact OD1-CB 3.38Å; D845-Y847 PolarHBondContact OD1-N 2.74Å; D845-S848 VanDerWaalsContact CG-OG 3.32Å; D845-S848 PolarHBondContact O-N 2.9Å; D845-S848 VanDerWaalsContact O-N 3.15Å; D845-S848 PolarHBondContact OD1-N 2.79Å; D845-S848 PolarHBondContact OD1-OG 3.27Å; D845-S848 WeakPolarHBondContact OD2-CB 3.32Å; D845-S848 PolarHBondContact OD2-OG 3.24Å; D845-V849 PolarHBondContact O-N 2.83Å; D845-V849 VanDerWaalsContact O-N 3.1Å
846	E	86.8	Confident	84.9	Confident	105 Å²	105	54.8 Å²	54.8	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-56.1	-41.6	-176	-167.1	-168.7	-138.1	0	0	112.7	V849 Y850 K965	E846-V849 PolarHBondContact O-N 3.13Å; E846-Y850 VanDerWaalsContact CD-OH 3.3Å; E846-Y850 HydrophobicContact CG-CD2 4.4Å; E846-Y850 HydrophobicContact CG-CE1 3.98Å; E846-Y850 HydrophobicContact CG-CE2 3.63Å; E846-Y850 WeakPolarHBondContact CG-OH 3.37Å; E846-Y850 WeakPolarHBondContact O-CD1 3.3Å; E846-Y850 WeakPolarHBondContact O-CD2 3.49Å; E846-Y850 PolarHBondContact O-N 2.92Å; E846-Y850 VanDerWaalsContact O-N 3.11Å; E846-Y850 PolarHBondContact OE1-OH 3.27Å; E846-Y850 VanDerWaalsContact OE1-OH 3.04Å; E846-K965 IonicContact OE1-NZ 3.27Å; E846-K965 PolarHBondContact OE1-NZ 2.82Å; E846-K965 IonicContact OE2-NZ 3.75Å; E846-K965 PolarHBondContact OE2-NZ 3.37Å
847	Y	90.4	Very high	84.7	Confident	96 Å²	96	50.4 Å²	50.4	38%	0.376	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-40.8	179	169.2	-85.8	0	0	0	112	D845 Y850 R851 M967 F1032 V1034	D845-Y847 VanDerWaalsContact C-N 3.31Å; D845-Y847 PolarHBondContact O-N 3.22Å; D845-Y847 WeakPolarHBondContact OD1-CB 3.38Å; D845-Y847 PolarHBondContact OD1-N 2.74Å; Y847-Y850 PolarHBondContact O-N 2.77Å; Y847-R851 WeakPolarHBondContact O-CB 3.43Å; Y847-R851 PolarHBondContact O-N 2.89Å; Y847-M967 HydrophobicContact CD2-CE 3.65Å; Y847-M967 HydrophobicContact CE2-CE 3.68Å; Y847-M967 HydrophobicContact CG-CE 4.26Å; Y847-F1032 VanDerWaalsContact CE2-O 3.29Å; Y847-F1032 WeakPolarHBondContact CE2-O 3.23Å; Y847-V1034 HydrophobicContact CD2-CG2 3.76Å; Y847-V1034 HydrophobicContact CE2-CG2 4.33Å
848	S	88.4	Confident	84.6	Confident	5 Å²	5	50.4 Å²	50.4	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-69.6	-33.1	178.7	-66.4	0	0	0	0	112.9	Y842 G843 D845 R851 R852	Y842-S848 WeakPolarHBondContact O-CB 3.26Å; Y842-S848 PolarHBondContact O-OG 3.19Å; Y842-S848 VanDerWaalsContact O-OG 3.12Å; G843-S848 WeakPolarHBondContact O-CB 3.45Å; D845-S848 VanDerWaalsContact CG-OG 3.32Å; D845-S848 PolarHBondContact O-N 2.9Å; D845-S848 VanDerWaalsContact O-N 3.15Å; D845-S848 PolarHBondContact OD1-N 2.79Å; D845-S848 PolarHBondContact OD1-OG 3.27Å; D845-S848 WeakPolarHBondContact OD2-CB 3.32Å; D845-S848 PolarHBondContact OD2-OG 3.24Å; S848-R851 PolarHBondContact OG-NH2 2.94Å; S848-R852 WeakPolarHBondContact O-CB 3.25Å; S848-R852 PolarHBondContact O-N 3.33Å
849	V	86.4	Confident	84.8	Confident	40 Å²	40	50.2 Å²	50.2	24%	0.242	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-48.7	169	175	0	0	0	0	110.6	D845 E846 R851 R852 Q853	D845-V849 PolarHBondContact O-N 2.83Å; D845-V849 VanDerWaalsContact O-N 3.1Å; E846-V849 PolarHBondContact O-N 3.13Å; V849-R851 PolarHBondContact O-N 3.05Å; V849-R852 WeakPolarHBondContact O-CB 3.15Å; V849-R852 PolarHBondContact O-N 2.99Å; V849-Q853 PolarHBondContact O-N 3.49Å; V849-Q853 VanDerWaalsContact O-N 3.15Å
850	Y	89.6	Confident	85.2	Confident	35 Å²	35	48 Å²	48	14%	0.137	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-43.1	178.3	-61	-17.5	0	0	0	112.7	E846 Y847 R852 Q853 V854 K965 L981 V1034	E846-Y850 VanDerWaalsContact CD-OH 3.3Å; E846-Y850 HydrophobicContact CG-CD2 4.4Å; E846-Y850 HydrophobicContact CG-CE1 3.98Å; E846-Y850 HydrophobicContact CG-CE2 3.63Å; E846-Y850 WeakPolarHBondContact CG-OH 3.37Å; E846-Y850 WeakPolarHBondContact O-CD1 3.3Å; E846-Y850 WeakPolarHBondContact O-CD2 3.49Å; E846-Y850 PolarHBondContact O-N 2.92Å; E846-Y850 VanDerWaalsContact O-N 3.11Å; E846-Y850 PolarHBondContact OE1-OH 3.27Å; E846-Y850 VanDerWaalsContact OE1-OH 3.04Å; Y847-Y850 PolarHBondContact O-N 2.77Å; Y850-R852 VanDerWaalsContact C-N 3.3Å; Y850-R852 PolarHBondContact O-N 2.91Å; Y850-Q853 PolarHBondContact O-N 3.11Å; Y850-V854 PolarHBondContact O-N 2.88Å; Y850-K965 HydrophobicContact CE2-CB 4.32Å; Y850-K965 HydrophobicContact CE2-CD 3.92Å; Y850-K965 WeakPolarHBondContact OH-CD 3.4Å; Y850-L981 HydrophobicContact CD1-CB 4.31Å; Y850-L981 HydrophobicContact CD1-CD1 3.68Å; Y850-L981 HydrophobicContact CD1-CD2 3.76Å; Y850-L981 HydrophobicContact CD1-CG 4.11Å; Y850-L981 HydrophobicContact CD2-CD1 3.38Å; Y850-L981 HydrophobicContact CE1-CB 4.19Å; Y850-L981 HydrophobicContact CE1-CD1 3.87Å; Y850-L981 HydrophobicContact CE1-CD2 4.48Å; Y850-L981 HydrophobicContact CE1-CG 4.39Å; Y850-L981 HydrophobicContact CE2-CD1 3.55Å; Y850-L981 HydrophobicContact CG-CD1 3.41Å; Y850-L981 VanDerWaalsContact CG-CD1 3.41Å; Y850-L981 HydrophobicContact CG-CD2 3.83Å; Y850-L981 HydrophobicContact CG-CG 4.18Å; Y850-V1034 HydrophobicContact CD2-CG2 4.07Å; Y850-V1034 HydrophobicContact CE2-CG1 4.5Å
851	R	90.9	Very high	85.4	Confident	45 Å²	45	52.1 Å²	52.1	17%	0.17	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-37.8	176	179.6	174.3	54.7	162.7	-4.7	111.7	Y842 Y847 S848 V849 V854 L855 M967 F1032	Y842-R851 PolarHBondContact O-NH2 3.07Å; Y842-R851 VanDerWaalsContact O-NH2 3.12Å; Y847-R851 WeakPolarHBondContact O-CB 3.43Å; Y847-R851 PolarHBondContact O-N 2.89Å; S848-R851 PolarHBondContact OG-NH2 2.94Å; V849-R851 PolarHBondContact O-N 3.05Å; R851-V854 PolarHBondContact O-N 2.8Å; R851-L855 HydrophobicContact CG-CD1 3.93Å; R851-L855 HydrophobicContact CG-CG 4.49Å; R851-L855 WeakPolarHBondContact O-CB 3.28Å; R851-L855 VanDerWaalsContact O-CG 3.27Å; R851-L855 WeakPolarHBondContact O-CG 3.49Å; R851-L855 PolarHBondContact O-N 3.11Å; R851-M967 VanDerWaalsContact CA-SD 3.54Å; R851-M967 HydrophobicContact CB-CE 4.19Å; R851-M967 HydrophobicContact CB-SD 4.09Å; R851-M967 PolarHBondContact N-SD 3.22Å; R851-F1032 HydrophobicContact CG-CD1 4.07Å; R851-F1032 HydrophobicContact CG-CE1 4.17Å; R851-F1032 HydrophobicContact CG-CG 4.39Å
852	R	88.2	Confident	86.4	Confident	66 Å²	66	51.5 Å²	51.5	25%	0.249	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-43.2	174.2	-162.6	-174.2	-53.6	-84	-1.8	111.6	L838 C839 I841 S848 V849 Y850 L855 N856	L838-R852 PolarHBondContact O-NH1 3.34Å; C839-R852 PolarHBondContact O-NH1 2.89Å; I841-R852 PolarHBondContact O-NH2 2.7Å; I841-R852 VanDerWaalsContact O-NH2 3.16Å; S848-R852 WeakPolarHBondContact O-CB 3.25Å; S848-R852 PolarHBondContact O-N 3.33Å; V849-R852 WeakPolarHBondContact O-CB 3.15Å; V849-R852 PolarHBondContact O-N 2.99Å; Y850-R852 VanDerWaalsContact C-N 3.3Å; Y850-R852 PolarHBondContact O-N 2.91Å; R852-L855 PolarHBondContact O-N 2.64Å; R852-N856 WeakPolarHBondContact O-CB 3.45Å; R852-N856 PolarHBondContact O-N 2.85Å
853	Q	88.2	Confident	87.7	Confident	27 Å²	27	44 Å²	44	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-44	176.6	-68.5	-177.6	-14.5	0	0	112.6	V849 Y850 N856 N857 L979	V849-Q853 PolarHBondContact O-N 3.49Å; V849-Q853 VanDerWaalsContact O-N 3.15Å; Y850-Q853 PolarHBondContact O-N 3.11Å; Q853-N856 PolarHBondContact O-N 3.04Å; Q853-N857 PolarHBondContact O-N 2.73Å; Q853-N857 VanDerWaalsContact O-N 3.14Å; Q853-L979 HydrophobicContact CB-CD2 4Å
854	V	91.5	Very high	88.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-42.8	175.5	174.7	0	0	0	0	111.1	Y850 R851 N857 M858 M967 M969 L979 F1032	Y850-V854 PolarHBondContact O-N 2.88Å; R851-V854 PolarHBondContact O-N 2.8Å; V854-N857 PolarHBondContact O-N 2.78Å; V854-M858 HydrophobicContact CG1-CE 3.69Å; V854-M858 HydrophobicContact CG1-CG 4.4Å; V854-M858 HydrophobicContact CG1-SD 4.12Å; V854-M858 WeakPolarHBondContact O-CG 3.48Å; V854-M858 PolarHBondContact O-N 3.26Å; V854-M967 HydrophobicContact CB-SD 4.35Å; V854-M967 HydrophobicContact CG2-CB 3.88Å; V854-M967 HydrophobicContact CG2-CG 3.87Å; V854-M967 HydrophobicContact CG2-SD 3.83Å; V854-M969 HydrophobicContact CG1-CB 4.35Å; V854-M969 HydrophobicContact CG1-CE 4.35Å; V854-M969 HydrophobicContact CG1-CG 3.99Å; V854-M969 HydrophobicContact CG2-CG 4.35Å; V854-L979 HydrophobicContact CG2-CB 4.11Å; V854-L979 HydrophobicContact CG2-CD2 3.95Å; V854-F1032 HydrophobicContact CB-CD1 4.4Å; V854-F1032 HydrophobicContact CB-CE1 4.18Å; V854-F1032 HydrophobicContact CG1-CD1 4.1Å; V854-F1032 HydrophobicContact CG1-CE1 3.72Å
855	L	91.6	Very high	89.9	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-41.1	177.5	-75.1	169.8	0	0	0	113.1	L824 M826 L838 I841 R851 R852 N857 M858 C859 F1032	L824-L855 HydrophobicContact CD1-CD1 3.97Å; L824-L855 HydrophobicContact CD1-CD2 3.86Å; L824-L855 HydrophobicContact CD1-CG 4.45Å; M826-L855 HydrophobicContact SD-CD2 4.14Å; L838-L855 HydrophobicContact CD2-CB 3.7Å; I841-L855 HydrophobicContact CD1-CD1 3.51Å; R851-L855 HydrophobicContact CG-CD1 3.93Å; R851-L855 HydrophobicContact CG-CG 4.49Å; R851-L855 WeakPolarHBondContact O-CB 3.28Å; R851-L855 VanDerWaalsContact O-CG 3.27Å; R851-L855 WeakPolarHBondContact O-CG 3.49Å; R851-L855 PolarHBondContact O-N 3.11Å; R852-L855 PolarHBondContact O-N 2.64Å; L855-N857 PolarHBondContact O-N 3.37Å; L855-M858 HydrophobicContact CD2-SD 4.19Å; L855-M858 PolarHBondContact O-N 2.84Å; L855-C859 WeakPolarHBondContact O-CB 3.34Å; L855-C859 PolarHBondContact O-N 3.5Å; L855-C859 PolarHBondContact O-SG 2.94Å; L855-C859 VanDerWaalsContact O-SG 3.32Å; L855-F1032 HydrophobicContact CD2-CE1 4.26Å; L855-F1032 HydrophobicContact CD2-CZ 3.78Å; L855-F1032 HydrophobicContact CG-CE1 4.13Å; L855-F1032 HydrophobicContact CG-CZ 4.06Å
856	N	90.3	Very high	90.1	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-42.4	171.6	-82.8	-0.3	0	0	0	111.1	D746 R852 Q853 S860	D746-N856 WeakPolarHBondContact O-CB 3.37Å; R852-N856 WeakPolarHBondContact O-CB 3.45Å; R852-N856 PolarHBondContact O-N 2.85Å; Q853-N856 PolarHBondContact O-N 3.04Å; N856-S860 PolarHBondContact O-N 3.35Å; N856-S860 PolarHBondContact O-OG 3.16Å
857	N	89.4	Confident	90.6	Very high	21 Å²	21	39 Å²	39	11%	0.112	18%	0.181	C	C	.	.	H	α-helix	trans	-70.1	-43.3	178.3	-162.1	-83.6	0	0	0	112.5	Q853 V854 L855 C859 S860 R861 M969 Q986	Q853-N857 PolarHBondContact O-N 2.73Å; Q853-N857 VanDerWaalsContact O-N 3.14Å; V854-N857 PolarHBondContact O-N 2.78Å; L855-N857 PolarHBondContact O-N 3.37Å; N857-C859 PolarHBondContact O-N 3.46Å; N857-S860 VanDerWaalsContact O-CB 3.26Å; N857-S860 WeakPolarHBondContact O-CB 3.28Å; N857-S860 PolarHBondContact O-N 3.41Å; N857-R861 PolarHBondContact O-N 3.09Å; N857-M969 HydrophobicContact CB-CE 3.94Å; N857-M969 WeakPolarHBondContact OD1-CE 3.45Å; N857-Q986 PolarHBondContact ND2-NE2 3.08Å; N857-Q986 PolarHBondContact OD1-NE2 3.24Å
858	M	90.6	Very high	90.9	Very high	16 Å²	16	34.7 Å²	34.7	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-47.4	173.3	-72.6	176.4	171.5	0	0	111.7	L815 V854 L855 S860 R861 P862 M969 I1031 F1032	L815-M858 HydrophobicContact CD1-CB 3.92Å; L815-M858 HydrophobicContact CD2-CB 4.5Å; V854-M858 HydrophobicContact CG1-CE 3.69Å; V854-M858 HydrophobicContact CG1-CG 4.4Å; V854-M858 HydrophobicContact CG1-SD 4.12Å; V854-M858 WeakPolarHBondContact O-CG 3.48Å; V854-M858 PolarHBondContact O-N 3.26Å; L855-M858 HydrophobicContact CD2-SD 4.19Å; L855-M858 PolarHBondContact O-N 2.84Å; M858-S860 PolarHBondContact O-N 2.94Å; M858-R861 PolarHBondContact O-N 3.29Å; M858-R861 VanDerWaalsContact O-N 3.15Å; M858-P862 VanDerWaalsContact O-CD 3.27Å; M858-P862 WeakPolarHBondContact O-CD 3.49Å; M858-M969 HydrophobicContact CE-CB 4.47Å; M858-M969 WeakPolarHBondContact CE-O 3.44Å; M858-I1031 HydrophobicContact CE-CG2 3.98Å; M858-F1032 HydrophobicContact CE-CE1 4.31Å; M858-F1032 HydrophobicContact CE-CZ 4.46Å; M858-F1032 HydrophobicContact SD-CE1 4.36Å; M858-F1032 HydrophobicContact SD-CZ 4.28Å
859	C	92.9	Very high	91.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-18.9	175.8	-67.2	0	0	0	0	113.4	L745 L838 L855 N857 P862 M863	L745-C859 HydrophobicContact CD1-CB 4.23Å; L745-C859 HydrophobicContact CD2-CB 3.61Å; L838-C859 HydrophobicContact CD1-CB 4.45Å; L855-C859 WeakPolarHBondContact O-CB 3.34Å; L855-C859 PolarHBondContact O-N 3.5Å; L855-C859 PolarHBondContact O-SG 2.94Å; L855-C859 VanDerWaalsContact O-SG 3.32Å; N857-C859 PolarHBondContact O-N 3.46Å; C859-P862 WeakPolarHBondContact O-CD 3.07Å; C859-M863 VanDerWaalsContact O-CE 3.3Å; C859-M863 WeakPolarHBondContact O-CE 3.47Å; C859-M863 WeakPolarHBondContact O-CG 3.27Å
860	S	91.8	Very high	91.9	Very high	22 Å²	22	32.7 Å²	32.7	15%	0.154	15%	0.152	C	C	.	.	H	α-helix	trans	-73.6	-31.4	171.7	-59	0	0	0	0	112.8	Q747 N856 N857 M858 M863	Q747-S860 VanDerWaalsContact NE2-CB 3.25Å; Q747-S860 PolarHBondContact NE2-OG 2.89Å; Q747-S860 VanDerWaalsContact NE2-OG 3.08Å; N856-S860 PolarHBondContact O-N 3.35Å; N856-S860 PolarHBondContact O-OG 3.16Å; N857-S860 VanDerWaalsContact O-CB 3.26Å; N857-S860 WeakPolarHBondContact O-CB 3.28Å; N857-S860 PolarHBondContact O-N 3.41Å; M858-S860 PolarHBondContact O-N 2.94Å; S860-M863 WeakPolarHBondContact O-CB 3.32Å; S860-M863 PolarHBondContact O-N 2.79Å; S860-M863 VanDerWaalsContact O-N 3.11Å
861	R	89.4	Confident	92.1	Very high	139 Å²	139	31.5 Å²	31.5	53%	0.525	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.5	-174.1	-67.7	177.4	70.3	-177.3	3.2	114.6	T357 N857 M858	T357-R861 PolarHBondContact O-NH2 3.46Å; T357-R861 VanDerWaalsContact O-NH2 3.1Å; N857-R861 PolarHBondContact O-N 3.09Å; M858-R861 PolarHBondContact O-N 3.29Å; M858-R861 VanDerWaalsContact O-N 3.15Å
862	P	91.1	Very high	92.1	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.039	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.8	174.8	-21.3	34.9	0	0	0	115.4	P807 K808 L811 V812 L815 M858 C859	P807-P862 CarbonylContact C-O 3.57Å; P807-P862 VanDerWaalsContact CA-O 3.28Å; P807-P862 WeakPolarHBondContact CA-O 3.43Å; P807-P862 HydrophobicContact CB-CB 3.98Å; P807-P862 WeakPolarHBondContact CB-O 3.29Å; K808-P862 PolarHBondContact N-O 3.11Å; L811-P862 HydrophobicContact CB-CB 3.81Å; L811-P862 HydrophobicContact CB-CG 3.98Å; V812-P862 HydrophobicContact CG2-CB 3.75Å; V812-P862 HydrophobicContact CG2-CG 4.35Å; L815-P862 HydrophobicContact CD2-CG 4.24Å; M858-P862 VanDerWaalsContact O-CD 3.27Å; M858-P862 WeakPolarHBondContact O-CD 3.49Å; C859-P862 WeakPolarHBondContact O-CD 3.07Å
863	M	91.9	Very high	92.1	Very high	43 Å²	43	29.9 Å²	29.9	21%	0.212	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-68.4	151.3	-171.8	-61.2	-71.6	139.8	0	0	111.8	L743 L745 P807 I834 C859 S860 Y883	L743-M863 HydrophobicContact CD2-CE 3.99Å; L743-M863 HydrophobicContact CD2-SD 4.18Å; L745-M863 HydrophobicContact CD1-CE 3.79Å; L745-M863 HydrophobicContact CD1-CG 3.78Å; L745-M863 HydrophobicContact CD1-SD 3.94Å; P807-M863 HydrophobicContact CB-CE 4.01Å; P807-M863 HydrophobicContact CB-SD 4.25Å; P807-M863 HydrophobicContact CG-CE 3.46Å; P807-M863 VanDerWaalsContact CG-CE 3.46Å; P807-M863 HydrophobicContact CG-SD 3.7Å; I834-M863 HydrophobicContact CD1-CE 4.24Å; C859-M863 VanDerWaalsContact O-CE 3.3Å; C859-M863 WeakPolarHBondContact O-CE 3.47Å; C859-M863 WeakPolarHBondContact O-CG 3.27Å; S860-M863 WeakPolarHBondContact O-CB 3.32Å; S860-M863 PolarHBondContact O-N 2.79Å; S860-M863 VanDerWaalsContact O-N 3.11Å; M863-Y883 HydrophobicContact CE-CE1 4.27Å; M863-Y883 HydrophobicContact SD-CD1 4.4Å; M863-Y883 HydrophobicContact SD-CE1 4.11Å
864	Q	90.1	Very high	90.8	Very high	68 Å²	68	38.7 Å²	38.7	32%	0.318	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-100.7	163	175.4	-61.7	-157.8	72.6	0	0	110.9	H804 P805 P806 K808	H804-Q864 PolarHBondContact NE2-O 3.13Å; P805-Q864 HydrophobicContact CB-CB 4.14Å; P805-Q864 HydrophobicContact CB-CG 4.49Å; P805-Q864 HydrophobicContact CG-CB 4.4Å; P806-Q864 PolarHBondContact O-NE2 3.25Å; K808-Q864 HydrophobicContact CG-CG 4.45Å
865	L	90.5	Very high	89.8	Confident	106 Å²	106	41.4 Å²	41.4	56%	0.555	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-76.9	139.4	175.2	-63.9	178	0	0	0	110.4	T938	L865-T938 HydrophobicContact CD1-CG2 4.07Å
866	A	92.9	Very high	89.3	Confident	11 Å²	11	46.4 Å²	46.4	9%	0.091	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-77.6	128.9	171	0	0	0	0	0	111.3	R802 H803 H804	R802-A866 PolarHBondContact NH1-O 3.37Å; R802-A866 PolarHBondContact NH2-O 3.34Å; H803-A866 CarbonylContact O-C 3.38Å; H803-A866 WeakPolarHBondContact O-CA 3.38Å; H803-A866 WeakPolarHBondContact O-CB 3.16Å; H804-A866 HydrophobicContact CB-CB 3.77Å
867	L	95.6	Very high	89	Confident	60 Å²	60	53.1 Å²	53.1	31%	0.314	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.2	-166.6	-60.3	175.1	0	0	0	112	R802 H803 N934	R802-L867 CarbonylContact C-O 3.59Å; R802-L867 VanDerWaalsContact CA-O 3.29Å; R802-L867 WeakPolarHBondContact CA-O 3.38Å; H803-L867 PolarHBondContact CD2-O 3.08Å; H803-L867 PolarHBondContact N-O 3.26Å; H803-L867 PolarHBondContact O-N 2.93Å; L867-N934 WeakPolarHBondContact CA-OD1 3.42Å; L867-N934 HydrophobicContact CD2-CB 4.1Å
868	Y	98	Very high	88.8	Confident	6 Å²	6	58.8 Å²	58.8	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	143.8	163.9	-56.6	-69.9	0	0	0	111	L801 R802 H892 P901 C933 N934 K937	L801-Y868 CarbonylContact O-C 3.22Å; L801-Y868 VanDerWaalsContact O-CA 3.25Å; L801-Y868 WeakPolarHBondContact O-CA 3.49Å; R802-Y868 HydrophobicContact CB-CD1 3.96Å; R802-Y868 HydrophobicContact CB-CE1 4.25Å; R802-Y868 HydrophobicContact CG-CD1 4.24Å; R802-Y868 HydrophobicContact CG-CE1 4.33Å; Y868-H892 HydrophobicContact CE1-CB 4.22Å; Y868-H892 AromaticContact CE1-ND1 3.65Å; Y868-H892 AromaticContact CZ-ND1 3.68Å; Y868-H892 PolarHBondContact OH-ND1 3.43Å; Y868-P901 HydrophobicContact CD1-CB 4.05Å; Y868-P901 HydrophobicContact CD1-CG 4.23Å; Y868-P901 HydrophobicContact CD2-CG 4.03Å; Y868-P901 HydrophobicContact CE1-CB 3.75Å; Y868-P901 HydrophobicContact CE1-CG 3.92Å; Y868-P901 HydrophobicContact CE2-CB 4.45Å; Y868-P901 HydrophobicContact CE2-CG 3.7Å; Y868-P901 HydrophobicContact CG-CG 4.28Å; Y868-C933 HydrophobicContact CD2-CB 3.79Å; Y868-C933 HydrophobicContact CE2-CB 4.11Å; Y868-N934 VanDerWaalsContact CD2-OD1 3.22Å; Y868-N934 WeakPolarHBondContact CD2-OD1 3.38Å; Y868-N934 PolarHBondContact N-OD1 2.88Å; Y868-N934 PolarHBondContact O-ND2 3.22Å; Y868-K937 HydrophobicContact CE2-CD 4.49Å
869	F	97.4	Very high	88.7	Confident	2 Å²	2	63 Å²	63	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155.5	176.6	72.7	-73.8	0	0	0	112.4	L801 H803 T871 L875 F880	L801-F869 HydrophobicContact CB-CD1 4.12Å; L801-F869 HydrophobicContact CB-CE1 3.43Å; L801-F869 VanDerWaalsContact CB-CE1 3.43Å; L801-F869 HydrophobicContact CB-CE2 4.37Å; L801-F869 HydrophobicContact CB-CZ 3.6Å; L801-F869 HydrophobicContact CD1-CZ 4Å; L801-F869 HydrophobicContact CG-CZ 4.39Å; L801-F869 PolarHBondContact N-O 3.07Å; L801-F869 WeakPolarHBondContact O-CD1 3.44Å; L801-F869 PolarHBondContact O-N 2.99Å; H803-F869 HydrophobicContact CB-CD1 4.19Å; H803-F869 HydrophobicContact CB-CE1 3.69Å; H803-F869 HydrophobicContact CB-CZ 4.47Å; H803-F869 AromaticContact CD2-CD1 3.59Å; H803-F869 AromaticContact CD2-CE1 4Å; F869-T871 HydrophobicContact CE2-CG2 3.9Å; F869-T871 HydrophobicContact CZ-CG2 4.4Å; F869-L875 HydrophobicContact CB-CD1 3.75Å; F869-L875 HydrophobicContact CD2-CD1 3.45Å; F869-L875 VanDerWaalsContact CD2-CD1 3.45Å; F869-L875 HydrophobicContact CE2-CD1 4.23Å; F869-L875 HydrophobicContact CG-CD1 3.75Å; F869-F880 AromaticContact CE2-CD1 3.58Å; F869-F880 HydrophobicContact CE2-CD1 3.58Å; F869-F880 HydrophobicContact CE2-CD2 4.06Å; F869-F880 AromaticContact CE2-CE1 3.6Å; F869-F880 HydrophobicContact CE2-CE1 3.6Å; F869-F880 HydrophobicContact CE2-CE2 4.07Å; F869-F880 AromaticContact CE2-CG 3.84Å; F869-F880 HydrophobicContact CE2-CG 3.84Å; F869-F880 AromaticContact CE2-CZ 3.86Å; F869-F880 HydrophobicContact CE2-CZ 3.86Å; F869-F880 HydrophobicContact CZ-CB 3.96Å; F869-F880 AromaticContact CZ-CD1 3.76Å; F869-F880 HydrophobicContact CZ-CD1 3.76Å; F869-F880 AromaticContact CZ-CD2 3.93Å; F869-F880 HydrophobicContact CZ-CD2 3.93Å; F869-F880 HydrophobicContact CZ-CE1 4.24Å; F869-F880 HydrophobicContact CZ-CE2 4.38Å; F869-F880 AromaticContact CZ-CG 3.6Å; F869-F880 HydrophobicContact CZ-CG 3.6Å
870	C	97.4	Very high	88.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130	170.9	178.8	0	0	0	0	110.5	A799 G872 T873 A923 V926 Q927	A799-C870 WeakPolarHBondContact O-CA 3.46Å; C870-G872 PolarHBondContact O-N 2.92Å; C870-T873 HydrophobicContact CB-CG2 4.11Å; C870-T873 WeakPolarHBondContact O-CB 3.48Å; C870-T873 WeakPolarHBondContact O-CG2 3.21Å; C870-T873 PolarHBondContact O-N 3.29Å; C870-T873 PolarHBondContact O-OG1 3.44Å; C870-A923 PolarHBondContact SG-O 2.93Å; C870-V926 HydrophobicContact CB-CB 4.15Å; C870-V926 HydrophobicContact CB-CG1 3.88Å; C870-Q927 HydrophobicContact CB-CB 4.02Å
871	T	95.6	Very high	89	Confident	11 Å²	11	65 Å²	65	7%	0.067	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.1	-178.4	66.1	0	0	0	0	114.8	Y792 P796 A799 L801 F869 T873 F880	Y792-T871 HydrophobicContact CD2-CG2 3.79Å; Y792-T871 HydrophobicContact CE2-CG2 4.04Å; P796-T871 VanDerWaalsContact C-OG1 3.25Å; P796-T871 WeakPolarHBondContact O-CB 3.49Å; P796-T871 PolarHBondContact O-OG1 3.25Å; A799-T871 HydrophobicContact CB-CG2 4Å; A799-T871 PolarHBondContact N-OG1 2.95Å; A799-T871 PolarHBondContact O-N 3.49Å; L801-T871 HydrophobicContact CB-CG2 4.42Å; L801-T871 HydrophobicContact CD1-CG2 3.43Å; L801-T871 VanDerWaalsContact CD1-CG2 3.43Å; L801-T871 HydrophobicContact CG-CG2 3.76Å; F869-T871 HydrophobicContact CE2-CG2 3.9Å; F869-T871 HydrophobicContact CZ-CG2 4.4Å; T871-T873 VanDerWaalsContact C-N 3.27Å; T871-F880 HydrophobicContact CG2-CD2 4.25Å; T871-F880 HydrophobicContact CG2-CE2 3.52Å; T871-F880 HydrophobicContact CG2-CZ 3.96Å
872	G	90.7	Very high	89.3	Confident	36 Å²	36	58.4 Å²	58.4	37%	0.371	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.7	170.6	0	0	0	0	0	114.8	T797 C870	T797-G872 WeakPolarHBondContact O-CA 3.49Å; T797-G872 PolarHBondContact O-N 3.06Å; C870-G872 PolarHBondContact O-N 2.92Å
873	T	86.7	Confident	89.6	Confident	40 Å²	40	59.4 Å²	59.4	25%	0.245	30%	0.295	C	S	.	.	S	Bend	trans	-85.2	174.2	178.9	62.7	0	0	0	0	112.4	C870 T871 L875 Q927	C870-T873 HydrophobicContact CB-CG2 4.11Å; C870-T873 WeakPolarHBondContact O-CB 3.48Å; C870-T873 WeakPolarHBondContact O-CG2 3.21Å; C870-T873 PolarHBondContact O-N 3.29Å; C870-T873 PolarHBondContact O-OG1 3.44Å; T871-T873 VanDerWaalsContact C-N 3.27Å; T873-L875 PolarHBondContact O-N 3.47Å; T873-Q927 HydrophobicContact CG2-CB 3.68Å; T873-Q927 HydrophobicContact CG2-CG 3.63Å
874	K	62.6	Low	89.7	Confident	213 Å²	213	58.2 Å²	58.2	93%	0.926	29%	0.291	S	S	*	.	S	Bend	trans	-75.1	21.2	-178.4	-61.7	-175.4	-179.8	178.6	0	114.8
875	L	69.9	Low	90	Very high	57 Å²	57	55.7 Å²	55.7	30%	0.298	28%	0.28	S	S	.	.			trans	-74.6	124.2	172.2	-78.7	162.8	0	0	0	109.5	F869 T873 H879 F880	F869-L875 HydrophobicContact CB-CD1 3.75Å; F869-L875 HydrophobicContact CD2-CD1 3.45Å; F869-L875 VanDerWaalsContact CD2-CD1 3.45Å; F869-L875 HydrophobicContact CE2-CD1 4.23Å; F869-L875 HydrophobicContact CG-CD1 3.75Å; T873-L875 PolarHBondContact O-N 3.47Å; L875-H879 HydrophobicContact CD2-CB 4.17Å; L875-F880 HydrophobicContact CB-CE1 3.99Å
876	L	81.1	Confident	90.3	Very high	106 Å²	106	54 Å²	54	56%	0.555	27%	0.272	S	S	*	.			trans	-68.2	145.2	172.5	-60.4	170.8	0	0	0	109.3	E878 H879	L876-E878 HydrophobicContact CB-CG 4.2Å; L876-E878 VanDerWaalsContact CB-OE1 3.27Å; L876-E878 WeakPolarHBondContact CB-OE1 3.3Å; L876-E878 WeakPolarHBondContact CD1-OE1 3.3Å; L876-E878 PolarHBondContact O-N 3.32Å; L876-E878 VanDerWaalsContact O-N 3.08Å; L876-H879 WeakPolarHBondContact O-CB 3.21Å; L876-H879 PolarHBondContact O-N 2.92Å
877	K	84.4	Confident	90.5	Very high	150 Å²	150	54.6 Å²	54.6	65%	0.652	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-59.5	-27.8	-170	-62.4	-164.4	-175.8	-158.8	0	113.9	Y792 H879 F880	Y792-K877 VanDerWaalsContact OH-CE 3.24Å; Y792-K877 WeakPolarHBondContact OH-CE 3.23Å; Y792-K877 PolarHBondContact OH-NZ 3.44Å; K877-H879 PolarHBondContact O-N 2.9Å; K877-F880 WeakPolarHBondContact O-CB 3.38Å; K877-F880 PolarHBondContact O-N 3.31Å; K877-F880 VanDerWaalsContact O-N 3.16Å
878	E	84.1	Confident	90.5	Very high	141 Å²	141	56.4 Å²	56.4	66%	0.659	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-62.2	-27.2	175.1	63.8	-143.7	139.9	0	0	113.4	L876 F880	L876-E878 HydrophobicContact CB-CG 4.2Å; L876-E878 VanDerWaalsContact CB-OE1 3.27Å; L876-E878 WeakPolarHBondContact CB-OE1 3.3Å; L876-E878 WeakPolarHBondContact CD1-OE1 3.3Å; L876-E878 PolarHBondContact O-N 3.32Å; L876-E878 VanDerWaalsContact O-N 3.08Å; E878-F880 VanDerWaalsContact C-N 3.3Å; E878-F880 PolarHBondContact O-N 3.05Å
879	H	88.5	Confident	90.5	Very high	103 Å²	103	57.5 Å²	57.5	48%	0.477	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-78.7	-8.2	176.1	-66.1	-104.3	0	0	0	113.7	H803 L875 L876 K877 H881	H803-H879 WeakPolarHBondContact CB-O 3.22Å; H803-H879 PolarHBondContact ND1-O 3.41Å; L875-H879 HydrophobicContact CD2-CB 4.17Å; L876-H879 WeakPolarHBondContact O-CB 3.21Å; L876-H879 PolarHBondContact O-N 2.92Å; K877-H879 PolarHBondContact O-N 2.9Å; H879-H881 PolarHBondContact O-N 2.89Å
880	F	94.9	Very high	90.5	Very high	9 Å²	9	57.7 Å²	57.7	4%	0.039	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-72.3	-14.7	-179.4	-68.9	24.9	0	0	0	112.2	Y792 L801 H803 F869 T871 L875 K877 E878 L889	Y792-F880 HydrophobicContact CD2-CE2 4.37Å; Y792-F880 AromaticContact CE2-CE2 3.73Å; Y792-F880 HydrophobicContact CE2-CE2 3.73Å; L801-F880 HydrophobicContact CD1-CD2 4.07Å; L801-F880 HydrophobicContact CD1-CE2 4.46Å; H803-F880 WeakPolarHBondContact CB-O 3.43Å; F869-F880 AromaticContact CE2-CD1 3.58Å; F869-F880 HydrophobicContact CE2-CD1 3.58Å; F869-F880 HydrophobicContact CE2-CD2 4.06Å; F869-F880 AromaticContact CE2-CE1 3.6Å; F869-F880 HydrophobicContact CE2-CE1 3.6Å; F869-F880 HydrophobicContact CE2-CE2 4.07Å; F869-F880 AromaticContact CE2-CG 3.84Å; F869-F880 HydrophobicContact CE2-CG 3.84Å; F869-F880 AromaticContact CE2-CZ 3.86Å; F869-F880 HydrophobicContact CE2-CZ 3.86Å; F869-F880 HydrophobicContact CZ-CB 3.96Å; F869-F880 AromaticContact CZ-CD1 3.76Å; F869-F880 HydrophobicContact CZ-CD1 3.76Å; F869-F880 AromaticContact CZ-CD2 3.93Å; F869-F880 HydrophobicContact CZ-CD2 3.93Å; F869-F880 HydrophobicContact CZ-CE1 4.24Å; F869-F880 HydrophobicContact CZ-CE2 4.38Å; F869-F880 AromaticContact CZ-CG 3.6Å; F869-F880 HydrophobicContact CZ-CG 3.6Å; T871-F880 HydrophobicContact CG2-CD2 4.25Å; T871-F880 HydrophobicContact CG2-CE2 3.52Å; T871-F880 HydrophobicContact CG2-CZ 3.96Å; L875-F880 HydrophobicContact CB-CE1 3.99Å; K877-F880 WeakPolarHBondContact O-CB 3.38Å; K877-F880 PolarHBondContact O-N 3.31Å; K877-F880 VanDerWaalsContact O-N 3.16Å; E878-F880 VanDerWaalsContact C-N 3.3Å; E878-F880 PolarHBondContact O-N 3.05Å; F880-L889 HydrophobicContact CB-CD2 4.35Å; F880-L889 HydrophobicContact CD2-CD2 3.92Å
881	H	95.6	Very high	90.6	Very high	59 Å²	59	57.7 Å²	57.7	27%	0.273	30%	0.296	S	S	.	.			trans	-60.1	147.5	-179.7	-179.5	82.5	0	0	0	113	H804 H879 Y883 N886 V887	H804-H881 PolarHBondContact N-O 3.36Å; H879-H881 PolarHBondContact O-N 2.89Å; H881-Y883 PolarHBondContact CD2-N 2.89Å; H881-N886 PolarHBondContact CE1-OD1 2.7Å; H881-V887 PolarHBondContact ND1-O 2.83Å
882	H	96.8	Very high	90.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-111.9	89.9	178.5	-168.3	-60.4	0	0	0	111.1	E152 H804 A884 L885 N886 V887 Y890	E152-H882 IonicContact OE2-CE1 3.1Å; E152-H882 IonicContact OE2-NE2 3.83Å; H804-H882 HydrophobicContact CB-CB 4.32Å; H804-H882 WeakPolarHBondContact CB-ND1 3.03Å; H804-H882 AromaticContact CG-CE1 3.99Å; H804-H882 AromaticContact ND1-CE1 3.57Å; H804-H882 AromaticContact ND1-ND1 3.97Å; H882-A884 PolarHBondContact O-N 3.17Å; H882-L885 PolarHBondContact ND1-N 2.58Å; H882-L885 PolarHBondContact O-N 3.41Å; H882-N886 PolarHBondContact O-N 3.16Å; H882-V887 HydrophobicContact CB-CG2 4.01Å; H882-V887 PolarHBondContact N-O 2.89Å; H882-Y890 AromaticContact CD2-CD1 3.63Å; H882-Y890 AromaticContact NE2-CD1 3.97Å
883	Y	96.3	Very high	91.1	Very high	27 Å²	27	55.6 Å²	55.6	11%	0.106	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-43.1	-56.3	-170.4	-179.4	-99.2	0	0	0	114.4	L743 H804 P806 P807 A831 I834 M863 H881 L885 N886	L743-Y883 HydrophobicContact CD2-CE1 3.98Å; H804-Y883 VanDerWaalsContact O-CB 3.29Å; H804-Y883 WeakPolarHBondContact O-CB 3.45Å; H804-Y883 PolarHBondContact O-N 3.36Å; P806-Y883 HydrophobicContact CB-CD2 4.02Å; P806-Y883 HydrophobicContact CB-CE2 4.29Å; P807-Y883 HydrophobicContact CG-CD1 4.15Å; P807-Y883 HydrophobicContact CG-CE1 3.48Å; P807-Y883 VanDerWaalsContact CG-CE1 3.48Å; P807-Y883 HydrophobicContact CG-CE2 4.43Å; A831-Y883 HydrophobicContact CB-CD1 4.17Å; A831-Y883 HydrophobicContact CB-CD2 4.41Å; A831-Y883 HydrophobicContact CB-CE1 3.84Å; A831-Y883 HydrophobicContact CB-CE2 4.13Å; A831-Y883 HydrophobicContact CB-CG 4.44Å; A831-Y883 VanDerWaalsContact CB-O 3.3Å; A831-Y883 WeakPolarHBondContact CB-O 3.32Å; A831-Y883 PolarHBondContact N-OH 3.37Å; I834-Y883 WeakPolarHBondContact CD1-OH 3.4Å; M863-Y883 HydrophobicContact CE-CE1 4.27Å; M863-Y883 HydrophobicContact SD-CD1 4.4Å; M863-Y883 HydrophobicContact SD-CE1 4.11Å; H881-Y883 PolarHBondContact CD2-N 2.89Å; Y883-L885 PolarHBondContact O-N 2.87Å; Y883-N886 PolarHBondContact O-N 3.27Å; Y883-N886 VanDerWaalsContact O-N 3.1Å
884	A	95.4	Very high	91.7	Very high	17 Å²	17	53.7 Å²	53.7	14%	0.14	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.8	-34.7	-175.8	0	0	0	0	0	114.1	A742 L743 H882 N886	A742-A884 CarbonylContact C-O 3.43Å; A742-A884 WeakPolarHBondContact CA-O 3.34Å; L743-A884 PolarHBondContact N-O 3.03Å; H882-A884 PolarHBondContact O-N 3.17Å; A884-N886 VanDerWaalsContact C-N 3.32Å
885	L	95.7	Very high	93.3	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.084	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-82.8	-15.2	176.1	-68.5	175.3	0	0	0	112	L781 H882 Y883 V887 Y890	L781-L885 HydrophobicContact CD1-CD2 4.16Å; L781-L885 HydrophobicContact CD2-CD1 3.84Å; L781-L885 HydrophobicContact CD2-CD2 3.85Å; H882-L885 PolarHBondContact ND1-N 2.58Å; H882-L885 PolarHBondContact O-N 3.41Å; Y883-L885 PolarHBondContact O-N 2.87Å; L885-V887 HydrophobicContact CB-CG1 4.41Å; L885-V887 HydrophobicContact CB-CG2 3.87Å; L885-V887 HydrophobicContact CD1-CG2 4.49Å; L885-Y890 HydrophobicContact CD1-CD1 4.17Å; L885-Y890 HydrophobicContact CD1-CD2 3.88Å; L885-Y890 HydrophobicContact CD1-CE1 4.12Å; L885-Y890 HydrophobicContact CD1-CE2 3.83Å; L885-Y890 HydrophobicContact CD1-CG 4.06Å
886	N	97.1	Very high	94.7	Very high	70 Å²	70	40.8 Å²	40.8	37%	0.374	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	41.7	-171.3	-160.7	33	0	0	0	114.4	G740 G741 H881 H882 Y883 A884	G740-N886 PolarHBondContact O-ND2 2.88Å; G741-N886 WeakPolarHBondContact O-CB 3.22Å; H881-N886 PolarHBondContact CE1-OD1 2.7Å; H882-N886 PolarHBondContact O-N 3.16Å; Y883-N886 PolarHBondContact O-N 3.27Å; Y883-N886 VanDerWaalsContact O-N 3.1Å; A884-N886 VanDerWaalsContact C-N 3.32Å
887	V	96.3	Very high	95.5	Very high	23 Å²	23	35.8 Å²	35.8	14%	0.139	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-119.4	147.8	-178	-61	0	0	0	0	112.8	M785 H881 H882 L885	M785-V887 HydrophobicContact SD-CB 4.34Å; M785-V887 HydrophobicContact SD-CG1 3.72Å; M785-V887 HydrophobicContact SD-CG2 4.49Å; H881-V887 PolarHBondContact ND1-O 2.83Å; H882-V887 HydrophobicContact CB-CG2 4.01Å; H882-V887 PolarHBondContact N-O 2.89Å; L885-V887 HydrophobicContact CB-CG1 4.41Å; L885-V887 HydrophobicContact CB-CG2 3.87Å; L885-V887 HydrophobicContact CD1-CG2 4.49Å
888	P	95.9	Very high	96.1	Very high	98 Å²	98	29.1 Å²	29.1	64%	0.636	15%	0.15	S	C	*	.	S	Bend	trans	-79.6	-21.6	-173.5	31.4	-36.7	0	0	0	114.6
889	L	97.2	Very high	96.8	Very high	30 Å²	30	22.5 Å²	22.5	16%	0.157	12%	0.119	C	C	.	.			trans	-144.6	131.3	179	-63.3	173.8	0	0	0	109	A788 Y792 L801 F880	A788-L889 HydrophobicContact CB-CB 4.39Å; Y792-L889 HydrophobicContact CD1-CD1 3.77Å; Y792-L889 HydrophobicContact CD1-CD2 4.11Å; Y792-L889 HydrophobicContact CG-CD1 4.39Å; Y792-L889 HydrophobicContact CG-CD2 4.41Å; L801-L889 HydrophobicContact CD1-CD2 3.75Å; F880-L889 HydrophobicContact CB-CD2 4.35Å; F880-L889 HydrophobicContact CD2-CD2 3.92Å
890	Y	98.3	Very high	97.3	Very high	6 Å²	6	17.7 Å²	17.7	2%	0.024	10%	0.097	C	C	.	.			trans	-145.1	157.7	174.6	-172.2	-109.5	0	0	0	110.1	L781 N784 M785 L801 R802 H882 L885 H892	L781-Y890 HydrophobicContact CD2-CE2 3.8Å; N784-Y890 HydrophobicContact CB-CD2 4.12Å; N784-Y890 HydrophobicContact CB-CE2 3.43Å; N784-Y890 VanDerWaalsContact CB-CE2 3.43Å; N784-Y890 PolarHBondContact ND2-OH 3.13Å; M785-Y890 HydrophobicContact CG-CD2 4.02Å; L801-Y890 WeakPolarHBondContact CA-O 3.44Å; L801-Y890 WeakPolarHBondContact CB-O 3.13Å; R802-Y890 HydrophobicContact CB-CD1 4.15Å; R802-Y890 HydrophobicContact CG-CD1 4.32Å; R802-Y890 PolarHBondContact N-O 2.94Å; H882-Y890 AromaticContact CD2-CD1 3.63Å; H882-Y890 AromaticContact NE2-CD1 3.97Å; L885-Y890 HydrophobicContact CD1-CD1 4.17Å; L885-Y890 HydrophobicContact CD1-CD2 3.88Å; L885-Y890 HydrophobicContact CD1-CE1 4.12Å; L885-Y890 HydrophobicContact CD1-CE2 3.83Å; L885-Y890 HydrophobicContact CD1-CG 4.06Å; Y890-H892 AromaticContact CE1-CD2 3.58Å; Y890-H892 AromaticContact CE1-NE2 3.54Å; Y890-H892 AromaticContact CZ-CD2 3.89Å
891	T	98.6	Very high	97.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.			trans	-158.3	179.1	173.5	-158.7	0	0	0	0	109.3	N784 A788 I791 L800 V905	N784-T891 VanDerWaalsContact CB-O 3.26Å; N784-T891 WeakPolarHBondContact CB-O 3.4Å; N784-T891 VanDerWaalsContact CG-O 3.29Å; N784-T891 PolarHBondContact OD1-O 3.44Å; A788-T891 HydrophobicContact CB-CG2 3.81Å; I791-T891 HydrophobicContact CD1-CG2 4.25Å; L800-T891 PolarHBondContact O-OG1 3.37Å; T891-V905 HydrophobicContact CG2-CG1 4.06Å; T891-V905 HydrophobicContact CG2-CG2 4.2Å
892	H	98.7	Very high	97.6	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	8%	0.083	C	C	.	.			trans	-112.3	127.8	169.1	-72.2	171.2	0	0	0	110.6	D150 R802 Y868 Y890 R899 D902 V905	D150-H892 IonicContact OD1-CE1 2.9Å; D150-H892 IonicContact OD1-ND1 3.32Å; R802-H892 VanDerWaalsContact CD-CE1 3.43Å; R802-H892 WeakPolarHBondContact CD-CE1 3.42Å; R802-H892 WeakPolarHBondContact CD-NE2 3.39Å; R802-H892 PolarHBondContact NE-CE1 2.66Å; Y868-H892 HydrophobicContact CE1-CB 4.22Å; Y868-H892 AromaticContact CE1-ND1 3.65Å; Y868-H892 AromaticContact CZ-ND1 3.68Å; Y868-H892 PolarHBondContact OH-ND1 3.43Å; Y890-H892 AromaticContact CE1-CD2 3.58Å; Y890-H892 AromaticContact CE1-NE2 3.54Å; Y890-H892 AromaticContact CZ-CD2 3.89Å; H892-R899 PolarHBondContact ND1-NH1 3.04Å; H892-D902 WeakPolarHBondContact CB-OD2 3.39Å; H892-D902 WeakPolarHBondContact O-CA 3.41Å; H892-V905 WeakPolarHBondContact O-CB 3.42Å; H892-V905 WeakPolarHBondContact O-CG2 3.38Å
893	F	98.7	Very high	97.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.			trans	-131.2	-26.4	179.2	163.9	-103.3	0	0	0	111.9	I604 F658 V660 A783 N784 V787 S895 D902 V905 H906 L909	I604-F893 HydrophobicContact CB-CE1 4.18Å; I604-F893 HydrophobicContact CB-CZ 4.29Å; I604-F893 HydrophobicContact CG1-CD1 4.01Å; I604-F893 HydrophobicContact CG1-CE1 3.47Å; I604-F893 VanDerWaalsContact CG1-CE1 3.47Å; I604-F893 HydrophobicContact CG1-CZ 4.08Å; F658-F893 HydrophobicContact CB-CE2 4.35Å; F658-F893 HydrophobicContact CB-CZ 4.14Å; F658-F893 HydrophobicContact CD1-CZ 4.42Å; F658-F893 HydrophobicContact CD2-CE2 4.48Å; F658-F893 HydrophobicContact CG-CE2 4.23Å; F658-F893 HydrophobicContact CG-CZ 4.26Å; V660-F893 HydrophobicContact CG2-CE1 3.75Å; V660-F893 HydrophobicContact CG2-CZ 4.21Å; A783-F893 HydrophobicContact CB-CD1 4.44Å; N784-F893 PolarHBondContact OD1-N 2.79Å; V787-F893 HydrophobicContact CB-CB 4.27Å; V787-F893 HydrophobicContact CB-CG 4.24Å; V787-F893 HydrophobicContact CG1-CB 4.09Å; V787-F893 HydrophobicContact CG1-CD2 4.05Å; V787-F893 HydrophobicContact CG1-CG 4.09Å; V787-F893 HydrophobicContact CG2-CB 4.4Å; V787-F893 HydrophobicContact CG2-CD1 3.82Å; V787-F893 HydrophobicContact CG2-CD2 4.15Å; V787-F893 HydrophobicContact CG2-CE1 4.08Å; V787-F893 HydrophobicContact CG2-CE2 4.4Å; V787-F893 HydrophobicContact CG2-CG 3.86Å; V787-F893 HydrophobicContact CG2-CZ 4.37Å; F893-S895 PolarHBondContact O-N 2.85Å; F893-D902 WeakPolarHBondContact CA-OD1 3.28Å; F893-D902 PolarHBondContact N-OD1 3.32Å; F893-D902 VanDerWaalsContact N-OD1 3.15Å; F893-V905 HydrophobicContact CB-CG1 3.91Å; F893-V905 HydrophobicContact CD2-CG1 4.1Å; F893-V905 HydrophobicContact CG-CG1 4.48Å; F893-H906 AromaticContact CD2-CD2 3.32Å; F893-H906 WeakPolarHBondContact CD2-CD2 3.38Å; F893-H906 AromaticContact CD2-NE2 3.4Å; F893-H906 WeakPolarHBondContact CD2-NE2 3.47Å; F893-H906 AromaticContact CE2-CD2 3.46Å; F893-H906 VanDerWaalsContact CE2-CD2 3.46Å; F893-H906 WeakPolarHBondContact CE2-CD2 3.48Å; F893-H906 AromaticContact CE2-CE1 3.79Å; F893-H906 AromaticContact CE2-NE2 3.29Å; F893-H906 VanDerWaalsContact CE2-NE2 3.29Å; F893-H906 WeakPolarHBondContact CE2-NE2 3.48Å; F893-H906 AromaticContact CZ-NE2 3.97Å; F893-H906 PolarHBondContact O-CD2 2.72Å; F893-H906 PolarHBondContact O-NE2 3.27Å; F893-L909 HydrophobicContact CD2-CD2 4.24Å; F893-L909 HydrophobicContact CE2-CD2 3.62Å; F893-L909 HydrophobicContact CZ-CD2 4.06Å
894	T	98.5	Very high	97.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-85.1	5.6	-165.2	56.9	0	0	0	0	115.7	I604 M780 A783 N784 D902	I604-T894 HydrophobicContact CD1-CG2 4.02Å; I604-T894 HydrophobicContact CG1-CG2 4.47Å; M780-T894 HydrophobicContact CB-CG2 4.16Å; M780-T894 HydrophobicContact CG-CG2 4.41Å; M780-T894 HydrophobicContact SD-CG2 3.51Å; M780-T894 VanDerWaalsContact SD-CG2 3.51Å; A783-T894 HydrophobicContact CB-CG2 3.77Å; N784-T894 PolarHBondContact ND2-OG1 3.38Å; N784-T894 PolarHBondContact OD1-N 3.3Å; T894-D902 PolarHBondContact N-OD1 2.73Å; T894-D902 VanDerWaalsContact N-OD1 3.12Å
895	S	98.2	Very high	97.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.071	C	C	.	.			trans	-147	56.6	179.7	-53.5	0	0	0	0	116.1	D585 F893 I897 R898 R899 D902	D585-S895 WeakPolarHBondContact OD1-CA 3.44Å; D585-S895 VanDerWaalsContact OD2-CA 3.3Å; D585-S895 WeakPolarHBondContact OD2-CA 3.48Å; D585-S895 WeakPolarHBondContact OD2-CB 3.24Å; F893-S895 PolarHBondContact O-N 2.85Å; S895-I897 VanDerWaalsContact C-N 3.33Å; S895-I897 PolarHBondContact O-N 2.99Å; S895-R898 VanDerWaalsContact CB-NH2 3.3Å; S895-R898 PolarHBondContact O-N 2.8Å; S895-R898 PolarHBondContact OG-NH2 3.18Å; S895-R899 WeakPolarHBondContact O-CB 3.44Å; S895-R899 PolarHBondContact O-N 2.93Å; S895-R899 PolarHBondContact OG-NH2 2.84Å; S895-D902 PolarHBondContact N-OD1 2.92Å
896	P	98.5	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.7	-174.7	34.8	-40.2	0	0	0	115.5	D585 I604 A605 V607 M637 R898 D902 I903	D585-P896 VanDerWaalsContact OD1-CD 3.25Å; D585-P896 WeakPolarHBondContact OD1-CD 3.45Å; I604-P896 VanDerWaalsContact CG2-CD 3.44Å; I604-P896 HydrophobicContact CG2-CG 3.82Å; A605-P896 VanDerWaalsContact O-CG 3.25Å; A605-P896 WeakPolarHBondContact O-CG 3.31Å; V607-P896 HydrophobicContact CB-CB 3.96Å; V607-P896 HydrophobicContact CB-CG 4.2Å; V607-P896 HydrophobicContact CG2-CB 3.97Å; V607-P896 HydrophobicContact CG2-CG 3.81Å; M637-P896 WeakPolarHBondContact CE-O 3.47Å; P896-R898 VanDerWaalsContact C-N 3.3Å; P896-D902 HydrophobicContact CB-CB 3.92Å; P896-I903 HydrophobicContact CB-CG1 3.96Å; P896-I903 WeakPolarHBondContact O-CD1 3.47Å; P896-I903 WeakPolarHBondContact O-CG1 3.34Å
897	I	98.2	Very high	98.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-34.8	173.4	-66.3	169.1	0	0	0	110.6	D583 D585 A605 V607 C643 C647 S895	D583-I897 HydrophobicContact CB-CG2 4.01Å; D585-I897 WeakPolarHBondContact OD1-CB 3.36Å; D585-I897 VanDerWaalsContact OD1-CG1 3.3Å; D585-I897 WeakPolarHBondContact OD1-CG1 3.44Å; D585-I897 PolarHBondContact OD1-N 2.78Å; A605-I897 HydrophobicContact CB-CD1 3.91Å; A605-I897 HydrophobicContact CB-CG1 4.17Å; V607-I897 HydrophobicContact CG2-CB 4.48Å; V607-I897 HydrophobicContact CG2-CG1 3.62Å; C643-I897 HydrophobicContact CB-CG2 3.88Å; C647-I897 HydrophobicContact CB-CD1 3.93Å; C647-I897 HydrophobicContact CB-CG1 3.86Å; S895-I897 VanDerWaalsContact C-N 3.33Å; S895-I897 PolarHBondContact O-N 2.99Å
898	R	96.8	Very high	98.2	Very high	10 Å²	10	8.3 Å²	8.3	4%	0.038	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	0.7	-171	68.3	-163.7	-179.9	89.3	27.1	115.2	S146 D585 T626 S627 Y629 S895 P896	S146-R898 PolarHBondContact O-NH1 2.89Å; D585-R898 WeakPolarHBondContact OD2-CD 3.22Å; D585-R898 VanDerWaalsContact OD2-CG 3.32Å; D585-R898 WeakPolarHBondContact OD2-CG 3.28Å; D585-R898 IonicContact OD2-NE 3.3Å; D585-R898 PolarHBondContact OD2-NE 3.34Å; D585-R898 VanDerWaalsContact OD2-NE 3.07Å; T626-R898 CarbonylContact C-O 3.54Å; T626-R898 WeakPolarHBondContact CA-O 3.26Å; T626-R898 PolarHBondContact OG1-O 2.84Å; S627-R898 PolarHBondContact N-O 3.17Å; Y629-R898 VanDerWaalsContact OH-CB 3.25Å; Y629-R898 WeakPolarHBondContact OH-CB 3.28Å; Y629-R898 WeakPolarHBondContact OH-CD 3.14Å; S895-R898 VanDerWaalsContact CB-NH2 3.3Å; S895-R898 PolarHBondContact O-N 2.8Å; S895-R898 PolarHBondContact OG-NH2 3.18Å; P896-R898 VanDerWaalsContact C-N 3.3Å
899	R	98.1	Very high	98.4	Very high	2 Å²	2	3.7 Å²	3.7	1%	0.008	2%	0.016	C	C	.	.	B	Isolated β-bridge	trans	-138.2	126.9	175.3	-60.1	-164.8	-58.5	-128.5	-12.7	112.4	G149 D150 M637 H892 S895 D902	G149-R899 PolarHBondContact O-NH1 3.06Å; D150-R899 WeakPolarHBondContact OD1-CD 3.39Å; D150-R899 IonicContact OD1-CZ 3.01Å; D150-R899 IonicContact OD1-NE 3.19Å; D150-R899 IonicContact OD1-NH1 3.62Å; D150-R899 PolarHBondContact OD1-NH1 2.8Å; M637-R899 VanDerWaalsContact SD-C 3.59Å; H892-R899 PolarHBondContact ND1-NH1 3.04Å; S895-R899 WeakPolarHBondContact O-CB 3.44Å; S895-R899 PolarHBondContact O-N 2.93Å; S895-R899 PolarHBondContact OG-NH2 2.84Å; R899-D902 HydrophobicContact CB-CB 4.46Å; R899-D902 WeakPolarHBondContact CB-OD2 3.25Å; R899-D902 IonicContact CZ-OD1 3.72Å; R899-D902 IonicContact CZ-OD2 2.82Å; R899-D902 IonicContact NE-OD1 2.78Å; R899-D902 PolarHBondContact NE-OD1 2.84Å; R899-D902 IonicContact NE-OD2 3.51Å; R899-D902 PolarHBondContact NE-OD2 3.29Å; R899-D902 IonicContact NH2-OD1 3.21Å; R899-D902 PolarHBondContact NH2-OD1 3.01Å; R899-D902 IonicContact NH2-OD2 2.62Å
900	Y	98.7	Very high	98.4	Very high	3 Å²	3	2.4 Å²	2.4	1%	0.012	1%	0.011	C	C	.	.	H	α-helix	trans	-72.7	-34.2	178.2	-174.1	-108.6	0	0	0	115	D618 A621 S622 A625 M637 D902 I903 I904 R929	D618-Y900 WeakPolarHBondContact OD1-CE2 3.15Å; D618-Y900 PolarHBondContact OD1-OH 3.23Å; A621-Y900 HydrophobicContact CB-CD2 3.95Å; A621-Y900 HydrophobicContact CB-CE2 4.29Å; S622-Y900 VanDerWaalsContact CB-CZ 3.49Å; S622-Y900 WeakPolarHBondContact OG-CE1 3.1Å; A625-Y900 WeakPolarHBondContact O-CB 3.4Å; A625-Y900 PolarHBondContact O-N 2.87Å; M637-Y900 PolarHBondContact SD-N 3.12Å; Y900-D902 PolarHBondContact O-N 3.32Å; Y900-I903 HydrophobicContact CD2-CB 4.41Å; Y900-I903 HydrophobicContact CD2-CD1 4.21Å; Y900-I903 WeakPolarHBondContact O-CB 3.43Å; Y900-I903 PolarHBondContact O-N 3.41Å; Y900-I904 HydrophobicContact CD1-CD1 4.09Å; Y900-I904 HydrophobicContact CD1-CG1 4.48Å; Y900-I904 HydrophobicContact CE1-CD1 3.65Å; Y900-I904 HydrophobicContact CE1-CG1 4.01Å; Y900-I904 PolarHBondContact O-N 2.99Å; Y900-R929 HydrophobicContact CE1-CG 4.45Å
901	P	98.4	Very high	98.4	Very high	2 Å²	2	2.6 Å²	2.6	1%	0.013	1%	0.013	C	C	.	.	H	α-helix	trans	-52.3	-42.6	172.2	-31.8	39.1	0	0	0	113.3	L800 Y868 I903 I904 V905 C933	L800-P901 HydrophobicContact CD2-CB 3.87Å; Y868-P901 HydrophobicContact CD1-CB 4.05Å; Y868-P901 HydrophobicContact CD1-CG 4.23Å; Y868-P901 HydrophobicContact CD2-CG 4.03Å; Y868-P901 HydrophobicContact CE1-CB 3.75Å; Y868-P901 HydrophobicContact CE1-CG 3.92Å; Y868-P901 HydrophobicContact CE2-CB 4.45Å; Y868-P901 HydrophobicContact CE2-CG 3.7Å; Y868-P901 HydrophobicContact CG-CG 4.28Å; P901-I903 VanDerWaalsContact C-N 3.31Å; P901-I903 PolarHBondContact O-N 3.29Å; P901-I904 WeakPolarHBondContact O-CB 3.45Å; P901-I904 PolarHBondContact O-N 3.27Å; P901-I904 VanDerWaalsContact O-N 3.11Å; P901-V905 WeakPolarHBondContact O-CG2 3.2Å; P901-V905 PolarHBondContact O-N 2.81Å; P901-C933 HydrophobicContact CG-CB 3.72Å
902	D	98.8	Very high	98.3	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.4	-38.1	177.3	-57.7	-127.4	0	0	0	111.5	H892 F893 T894 S895 P896 R899 Y900 I904 V905 H906	H892-D902 WeakPolarHBondContact CB-OD2 3.39Å; H892-D902 WeakPolarHBondContact O-CA 3.41Å; F893-D902 WeakPolarHBondContact CA-OD1 3.28Å; F893-D902 PolarHBondContact N-OD1 3.32Å; F893-D902 VanDerWaalsContact N-OD1 3.15Å; T894-D902 PolarHBondContact N-OD1 2.73Å; T894-D902 VanDerWaalsContact N-OD1 3.12Å; S895-D902 PolarHBondContact N-OD1 2.92Å; P896-D902 HydrophobicContact CB-CB 3.92Å; R899-D902 HydrophobicContact CB-CB 4.46Å; R899-D902 WeakPolarHBondContact CB-OD2 3.25Å; R899-D902 IonicContact CZ-OD1 3.72Å; R899-D902 IonicContact CZ-OD2 2.82Å; R899-D902 IonicContact NE-OD1 2.78Å; R899-D902 PolarHBondContact NE-OD1 2.84Å; R899-D902 IonicContact NE-OD2 3.51Å; R899-D902 PolarHBondContact NE-OD2 3.29Å; R899-D902 IonicContact NH2-OD1 3.21Å; R899-D902 PolarHBondContact NH2-OD1 3.01Å; R899-D902 IonicContact NH2-OD2 2.62Å; Y900-D902 PolarHBondContact O-N 3.32Å; D902-I904 VanDerWaalsContact C-N 3.35Å; D902-I904 PolarHBondContact O-N 2.91Å; D902-V905 CarbonylContact O-C 3.34Å; D902-V905 PolarHBondContact O-N 3.23Å; D902-H906 WeakPolarHBondContact O-CB 3.32Å; D902-H906 PolarHBondContact O-CD2 2.91Å; D902-H906 PolarHBondContact O-N 3.04Å
903	I	98.7	Very high	98.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.7	-40.3	174.1	-59.4	178.5	0	0	0	111.2	V607 M637 P896 Y900 P901 H906 R907	V607-I903 HydrophobicContact CG1-CD1 3.76Å; V607-I903 HydrophobicContact CG1-CG1 4.08Å; M637-I903 HydrophobicContact CE-CD1 3.74Å; P896-I903 HydrophobicContact CB-CG1 3.96Å; P896-I903 WeakPolarHBondContact O-CD1 3.47Å; P896-I903 WeakPolarHBondContact O-CG1 3.34Å; Y900-I903 HydrophobicContact CD2-CB 4.41Å; Y900-I903 HydrophobicContact CD2-CD1 4.21Å; Y900-I903 WeakPolarHBondContact O-CB 3.43Å; Y900-I903 PolarHBondContact O-N 3.41Å; P901-I903 VanDerWaalsContact C-N 3.31Å; P901-I903 PolarHBondContact O-N 3.29Å; I903-H906 PolarHBondContact O-N 2.97Å; I903-R907 WeakPolarHBondContact O-CG 3.39Å; I903-R907 PolarHBondContact O-N 3.42Å
904	I	98.6	Very high	98	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-64.5	-42.6	173.6	-62.3	172.1	0	0	0	110.5	L800 Y900 P901 D902 R907 L908 L919 R929	L800-I904 HydrophobicContact CB-CG2 4.17Å; L800-I904 HydrophobicContact CD2-CB 3.78Å; L800-I904 HydrophobicContact CD2-CD1 3.87Å; L800-I904 HydrophobicContact CD2-CG1 4.39Å; L800-I904 HydrophobicContact CD2-CG2 3.89Å; Y900-I904 HydrophobicContact CD1-CD1 4.09Å; Y900-I904 HydrophobicContact CD1-CG1 4.48Å; Y900-I904 HydrophobicContact CE1-CD1 3.65Å; Y900-I904 HydrophobicContact CE1-CG1 4.01Å; Y900-I904 PolarHBondContact O-N 2.99Å; P901-I904 WeakPolarHBondContact O-CB 3.45Å; P901-I904 PolarHBondContact O-N 3.27Å; P901-I904 VanDerWaalsContact O-N 3.11Å; D902-I904 VanDerWaalsContact C-N 3.35Å; D902-I904 PolarHBondContact O-N 2.91Å; I904-R907 PolarHBondContact O-N 3.19Å; I904-L908 HydrophobicContact CG2-CD1 4.1Å; I904-L908 HydrophobicContact CG2-CG 4.47Å; I904-L908 WeakPolarHBondContact O-CG 3.41Å; I904-L908 PolarHBondContact O-N 3.27Å; I904-L919 HydrophobicContact CG2-CD2 4.29Å; I904-R929 HydrophobicContact CD1-CB 4.06Å; I904-R929 HydrophobicContact CD1-CG 4.47Å
905	V	98.8	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-38.3	178.1	170.8	0	0	0	0	111.9	V787 I791 L800 T891 H892 F893 P901 D902 L908 L909	V787-V905 HydrophobicContact CG1-CG1 3.49Å; V787-V905 VanDerWaalsContact CG1-CG1 3.49Å; I791-V905 HydrophobicContact CD1-CG1 3.99Å; I791-V905 HydrophobicContact CD1-CG2 4.09Å; L800-V905 HydrophobicContact CB-CG2 4.23Å; T891-V905 HydrophobicContact CG2-CG1 4.06Å; T891-V905 HydrophobicContact CG2-CG2 4.2Å; H892-V905 WeakPolarHBondContact O-CB 3.42Å; H892-V905 WeakPolarHBondContact O-CG2 3.38Å; F893-V905 HydrophobicContact CB-CG1 3.91Å; F893-V905 HydrophobicContact CD2-CG1 4.1Å; F893-V905 HydrophobicContact CG-CG1 4.48Å; P901-V905 WeakPolarHBondContact O-CG2 3.2Å; P901-V905 PolarHBondContact O-N 2.81Å; D902-V905 CarbonylContact O-C 3.34Å; D902-V905 PolarHBondContact O-N 3.23Å; V905-L908 PolarHBondContact O-N 2.88Å; V905-L909 WeakPolarHBondContact O-CB 3.36Å; V905-L909 PolarHBondContact O-N 3.41Å
906	H	98.7	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-43.3	171.1	-85.2	-125.1	0	0	0	111.6	A605 F658 F893 D902 I903 L909 A910	A605-H906 PolarHBondContact O-CE1 2.84Å; F658-H906 HydrophobicContact CD2-CB 4.48Å; F658-H906 AromaticContact CD2-ND1 3.78Å; F893-H906 AromaticContact CD2-CD2 3.32Å; F893-H906 WeakPolarHBondContact CD2-CD2 3.38Å; F893-H906 AromaticContact CD2-NE2 3.4Å; F893-H906 WeakPolarHBondContact CD2-NE2 3.47Å; F893-H906 AromaticContact CE2-CD2 3.46Å; F893-H906 VanDerWaalsContact CE2-CD2 3.46Å; F893-H906 WeakPolarHBondContact CE2-CD2 3.48Å; F893-H906 AromaticContact CE2-CE1 3.79Å; F893-H906 AromaticContact CE2-NE2 3.29Å; F893-H906 VanDerWaalsContact CE2-NE2 3.29Å; F893-H906 WeakPolarHBondContact CE2-NE2 3.48Å; F893-H906 AromaticContact CZ-NE2 3.97Å; F893-H906 PolarHBondContact O-CD2 2.72Å; F893-H906 PolarHBondContact O-NE2 3.27Å; D902-H906 WeakPolarHBondContact O-CB 3.32Å; D902-H906 PolarHBondContact O-CD2 2.91Å; D902-H906 PolarHBondContact O-N 3.04Å; I903-H906 PolarHBondContact O-N 2.97Å; H906-L909 PolarHBondContact O-N 3.39Å; H906-A910 WeakPolarHBondContact O-CB 3.39Å; H906-A910 PolarHBondContact O-N 3.22Å
907	R	98.4	Very high	96.5	Very high	20 Å²	20	22.5 Å²	22.5	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-45	174.6	-72.4	174.8	-173	155.2	10.4	111.8	V611 D618 I903 I904 A910 A911 L919	V611-R907 PolarHBondContact O-NH2 2.83Å; D618-R907 IonicContact OD1-CZ 3.55Å; D618-R907 IonicContact OD1-NH1 2.68Å; D618-R907 PolarHBondContact OD1-NH1 2.93Å; D618-R907 IonicContact OD1-NH2 3.78Å; D618-R907 PolarHBondContact OD1-NH2 2.81Å; D618-R907 IonicContact OD2-CZ 2.75Å; D618-R907 IonicContact OD2-NH1 3.75Å; D618-R907 PolarHBondContact OD2-NH1 2.83Å; D618-R907 IonicContact OD2-NH2 3.64Å; I903-R907 WeakPolarHBondContact O-CG 3.39Å; I903-R907 PolarHBondContact O-N 3.42Å; I904-R907 PolarHBondContact O-N 3.19Å; R907-A910 PolarHBondContact O-N 3.29Å; R907-A911 WeakPolarHBondContact O-CB 3.07Å; R907-A911 PolarHBondContact O-N 2.86Å; R907-L919 HydrophobicContact CB-CD1 3.98Å
908	L	98.4	Very high	96.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-43.6	175.4	-72.5	169.1	0	0	0	111.8	I791 F795 L798 L800 I904 V905 A911 S912 L919	I791-L908 HydrophobicContact CB-CB 4.47Å; I791-L908 HydrophobicContact CD1-CD1 4.48Å; I791-L908 HydrophobicContact CG2-CB 4.18Å; F795-L908 HydrophobicContact CD2-CD2 4.02Å; F795-L908 WeakPolarHBondContact CE2-O 3.23Å; F795-L908 HydrophobicContact CG-CD2 4.46Å; L798-L908 HydrophobicContact CG-CD2 4.42Å; L800-L908 HydrophobicContact CB-CD1 4.33Å; I904-L908 HydrophobicContact CG2-CD1 4.1Å; I904-L908 HydrophobicContact CG2-CG 4.47Å; I904-L908 WeakPolarHBondContact O-CG 3.41Å; I904-L908 PolarHBondContact O-N 3.27Å; V905-L908 PolarHBondContact O-N 2.88Å; L908-A911 PolarHBondContact O-N 2.62Å; L908-S912 PolarHBondContact O-N 2.67Å; L908-S912 PolarHBondContact O-OG 2.83Å; L908-L919 HydrophobicContact CD2-CB 4.43Å; L908-L919 HydrophobicContact CD2-CD2 4.07Å; L908-L919 HydrophobicContact CG-CD2 4.42Å
909	L	98.5	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-39.5	178.9	-168.4	65.2	0	0	0	111.8	F658 F675 V787 H790 I791 F893 V905 H906 A911 S912 L913	F658-L909 HydrophobicContact CD1-CD2 3.97Å; F658-L909 HydrophobicContact CE1-CD2 3.51Å; F658-L909 HydrophobicContact CE1-CG 3.79Å; F658-L909 HydrophobicContact CE2-CB 4.01Å; F658-L909 HydrophobicContact CE2-CD2 4.17Å; F658-L909 HydrophobicContact CE2-CG 4.15Å; F658-L909 HydrophobicContact CZ-CB 3.81Å; F658-L909 HydrophobicContact CZ-CD2 3.64Å; F658-L909 HydrophobicContact CZ-CG 3.48Å; F658-L909 VanDerWaalsContact CZ-CG 3.48Å; F675-L909 HydrophobicContact CD1-CD1 4.22Å; F675-L909 HydrophobicContact CD1-CD2 4.27Å; V787-L909 HydrophobicContact CG1-CD1 4.37Å; V787-L909 HydrophobicContact CG1-CD2 4.13Å; V787-L909 HydrophobicContact CG2-CD2 3.88Å; H790-L909 HydrophobicContact CB-CD1 4.33Å; I791-L909 HydrophobicContact CG2-CB 4.26Å; I791-L909 HydrophobicContact CG2-CD1 4.17Å; F893-L909 HydrophobicContact CD2-CD2 4.24Å; F893-L909 HydrophobicContact CE2-CD2 3.62Å; F893-L909 HydrophobicContact CZ-CD2 4.06Å; V905-L909 WeakPolarHBondContact O-CB 3.36Å; V905-L909 PolarHBondContact O-N 3.41Å; H906-L909 PolarHBondContact O-N 3.39Å; L909-A911 VanDerWaalsContact C-N 3.35Å; L909-S912 WeakPolarHBondContact CA-OG 3.31Å; L909-S912 PolarHBondContact O-N 3.32Å; L909-S912 PolarHBondContact O-OG 3.03Å; L909-L913 HydrophobicContact CG-CD1 4.49Å; L909-L913 WeakPolarHBondContact O-CG 3.35Å; L909-L913 PolarHBondContact O-N 3.44Å
910	A	98	Very high	95.4	Very high	4 Å²	4	36 Å²	36	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-44.5	172.2	0	0	0	0	0	111.1	F658 H906 R907 L913 N914 L915	F658-A910 HydrophobicContact CE2-CB 3.98Å; F658-A910 HydrophobicContact CZ-CB 4.47Å; H906-A910 WeakPolarHBondContact O-CB 3.39Å; H906-A910 PolarHBondContact O-N 3.22Å; R907-A910 PolarHBondContact O-N 3.29Å; A910-L913 PolarHBondContact O-N 3.06Å; A910-N914 PolarHBondContact O-N 3Å; A910-N914 VanDerWaalsContact O-N 3.15Å; A910-L915 PolarHBondContact O-N 2.86Å
911	A	97.4	Very high	95	Very high	10 Å²	10	37.2 Å²	37.2	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-38.6	176.9	0	0	0	0	0	112.7	F795 R907 L908 L909 L913 N914	F795-A911 HydrophobicContact CE2-CB 4.14Å; F795-A911 HydrophobicContact CZ-CB 3.97Å; R907-A911 WeakPolarHBondContact O-CB 3.07Å; R907-A911 PolarHBondContact O-N 2.86Å; L908-A911 PolarHBondContact O-N 2.62Å; L909-A911 VanDerWaalsContact C-N 3.35Å; A911-L913 PolarHBondContact O-N 3.14Å; A911-N914 PolarHBondContact O-N 3.28Å
912	S	97.4	Very high	94.8	Very high	18 Å²	18	39.5 Å²	39.5	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-22.8	177.3	54.3	0	0	0	0	113.8	H790 L908 L909	H790-S912 PolarHBondContact CD2-OG 3.11Å; H790-S912 PolarHBondContact NE2-OG 3.16Å; L908-S912 PolarHBondContact O-N 2.67Å; L908-S912 PolarHBondContact O-OG 2.83Å; L909-S912 WeakPolarHBondContact CA-OG 3.31Å; L909-S912 PolarHBondContact O-N 3.32Å; L909-S912 PolarHBondContact O-OG 3.03Å
913	L	96.9	Very high	94.7	Very high	44 Å²	44	40.9 Å²	40.9	23%	0.23	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	0.2	176.4	-59.8	176	0	0	0	112.9	F658 F675 L909 A910 A911 L915	F658-L913 HydrophobicContact CE1-CD1 3.82Å; F658-L913 HydrophobicContact CZ-CD1 3.9Å; F675-L913 HydrophobicContact CB-CD1 3.87Å; F675-L913 HydrophobicContact CB-CD2 4.44Å; F675-L913 WeakPolarHBondContact O-CD1 3.43Å; L909-L913 HydrophobicContact CG-CD1 4.49Å; L909-L913 WeakPolarHBondContact O-CG 3.35Å; L909-L913 PolarHBondContact O-N 3.44Å; A910-L913 PolarHBondContact O-N 3.06Å; A911-L913 PolarHBondContact O-N 3.14Å; L913-L915 HydrophobicContact CB-CB 4.48Å; L913-L915 HydrophobicContact CB-CD1 3.89Å; L913-L915 HydrophobicContact CB-CG 3.8Å; L913-L915 HydrophobicContact CD1-CD1 3.99Å; L913-L915 PolarHBondContact O-N 2.91Å
914	N	94.5	Very high	94.5	Very high	147 Å²	147	48.3 Å²	48.3	79%	0.786	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	22.9	-171.2	-46.5	-84.4	0	0	0	114.1	A910 A911 G916	A910-N914 PolarHBondContact O-N 3Å; A910-N914 VanDerWaalsContact O-N 3.15Å; A911-N914 PolarHBondContact O-N 3.28Å; N914-G916 VanDerWaalsContact C-N 3.32Å
915	L	91.3	Very high	94.4	Very high	72 Å²	72	52.5 Å²	52.5	38%	0.377	29%	0.294	S	S	.	.	S	Bend	trans	-91	10	178	-59.9	178.5	0	0	0	113.2	R677 A910 L913	R677-L915 HydrophobicContact CB-CD1 4.26Å; R677-L915 HydrophobicContact CG-CD1 4.21Å; R677-L915 PolarHBondContact NH1-O 2.8Å; A910-L915 PolarHBondContact O-N 2.86Å; L913-L915 HydrophobicContact CB-CB 4.48Å; L913-L915 HydrophobicContact CB-CD1 3.89Å; L913-L915 HydrophobicContact CB-CG 3.8Å; L913-L915 HydrophobicContact CD1-CD1 3.99Å; L913-L915 PolarHBondContact O-N 2.91Å
916	G	85.3	Confident	94.3	Very high	29 Å²	29	52.5 Å²	52.5	30%	0.299	29%	0.294	S	S	.	.	S	Bend	trans	-168.2	171.6	-179	0	0	0	0	0	111.8	N914	N914-G916 VanDerWaalsContact C-N 3.32Å
917	P	87.6	Confident	94.2	Very high	109 Å²	109	54.1 Å²	54.1	71%	0.708	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-62.4	159.1	172.8	30.1	-35.8	0	0	0	110.7
918	R	90.3	Very high	94.1	Very high	214 Å²	214	58.1 Å²	58.1	81%	0.808	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-65.3	141.3	163.7	-66.7	-176.8	177.8	-172.2	-1.2	108.8	G920	R918-G920 PolarHBondContact O-N 3.18Å
919	L	89.7	Confident	94	Very high	18 Å²	18	61.6 Å²	61.6	9%	0.094	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-53	132	172.8	-168.2	75.4	0	0	0	109.4	L798 I904 R907 L908 L921 V926	L798-L919 HydrophobicContact CD2-CD2 4.39Å; L798-L919 HydrophobicContact CG-CD2 4.41Å; I904-L919 HydrophobicContact CG2-CD2 4.29Å; R907-L919 HydrophobicContact CB-CD1 3.98Å; L908-L919 HydrophobicContact CD2-CB 4.43Å; L908-L919 HydrophobicContact CD2-CD2 4.07Å; L908-L919 HydrophobicContact CG-CD2 4.42Å; L919-L921 HydrophobicContact CD2-CB 4.04Å; L919-L921 HydrophobicContact CD2-CD1 4.41Å; L919-L921 HydrophobicContact CD2-CG 4.43Å; L919-L921 HydrophobicContact CG-CB 4.1Å; L919-L921 HydrophobicContact CG-CG 4.24Å; L919-V926 HydrophobicContact CD2-CG2 3.8Å
920	G	88.6	Confident	94	Very high	64 Å²	64	61.6 Å²	61.6	66%	0.66	34%	0.336	S	S	*	.			trans	-77.6	-24.7	-180	0	0	0	0	0	113.4	E613 R918	E613-G920 WeakPolarHBondContact OE1-CA 3.23Å; E613-G920 PolarHBondContact OE1-N 3.15Å; E613-G920 PolarHBondContact OE2-N 2.95Å; R918-G920 PolarHBondContact O-N 3.18Å
921	L	90.9	Very high	93.8	Very high	28 Å²	28	65.7 Å²	65.7	15%	0.147	36%	0.357	C	S	.	.			trans	-65.2	137.9	-179.4	-54.2	-177.9	0	0	0	113.3	E613 L919 E925 V926 R929	E613-L921 PolarHBondContact OE1-N 2.96Å; L919-L921 HydrophobicContact CD2-CB 4.04Å; L919-L921 HydrophobicContact CD2-CD1 4.41Å; L919-L921 HydrophobicContact CD2-CG 4.43Å; L919-L921 HydrophobicContact CG-CB 4.1Å; L919-L921 HydrophobicContact CG-CG 4.24Å; L921-E925 HydrophobicContact CB-CB 4.19Å; L921-E925 HydrophobicContact CD2-CB 4.3Å; L921-V926 HydrophobicContact CB-CG2 3.7Å; L921-V926 HydrophobicContact CD1-CG2 4.03Å; L921-R929 HydrophobicContact CD1-CG 4.38Å
922	S	94.8	Very high	93.8	Very high	51 Å²	51	68 Å²	68	36%	0.357	37%	0.366	S	S	.	.			trans	-72.8	165.8	165.2	68.1	0	0	0	0	112.6	E924 E925 V926	S922-E924 PolarHBondContact O-N 3.44Å; S922-E925 WeakPolarHBondContact CB-OE2 3.48Å; S922-E925 PolarHBondContact N-OE2 3.5Å; S922-E925 PolarHBondContact O-N 3.23Å; S922-E925 WeakPolarHBondContact OG-CG 3.47Å; S922-E925 PolarHBondContact OG-N 3.38Å; S922-E925 PolarHBondContact OG-OE2 2.97Å; S922-V926 WeakPolarHBondContact O-CG2 3.34Å; S922-V926 PolarHBondContact O-N 2.83Å
923	A	95.3	Very high	93.8	Very high	28 Å²	28	67.3 Å²	67.3	23%	0.231	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-32	177.1	0	0	0	0	0	113.3	T797 L798 C870 Q927	T797-A923 WeakPolarHBondContact O-CB 3.47Å; L798-A923 HydrophobicContact CD1-CB 4.28Å; C870-A923 PolarHBondContact SG-O 2.93Å; A923-Q927 PolarHBondContact O-N 2.89Å; A923-Q927 VanDerWaalsContact O-N 3.11Å
924	E	95.4	Very high	93.8	Very high	156 Å²	156	65.9 Å²	65.9	73%	0.729	35%	0.354	S	S	*	.	H	α-helix	trans	-72.1	-42.2	176.7	-62.1	-174.6	171.2	0	0	111.1	S922 Q927 I928	S922-E924 PolarHBondContact O-N 3.44Å; E924-Q927 WeakPolarHBondContact O-CB 3.44Å; E924-Q927 PolarHBondContact O-N 2.69Å; E924-I928 WeakPolarHBondContact O-CG1 3.27Å; E924-I928 PolarHBondContact O-N 3.08Å
925	E	95.8	Very high	93.8	Very high	89 Å²	89	61.8 Å²	61.8	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-41.2	175.5	-70.4	162.7	115.8	0	0	112.1	L921 S922 Q927 I928 R929	L921-E925 HydrophobicContact CB-CB 4.19Å; L921-E925 HydrophobicContact CD2-CB 4.3Å; S922-E925 WeakPolarHBondContact CB-OE2 3.48Å; S922-E925 PolarHBondContact N-OE2 3.5Å; S922-E925 PolarHBondContact O-N 3.23Å; S922-E925 WeakPolarHBondContact OG-CG 3.47Å; S922-E925 PolarHBondContact OG-N 3.38Å; S922-E925 PolarHBondContact OG-OE2 2.97Å; E925-Q927 VanDerWaalsContact C-N 3.27Å; E925-Q927 PolarHBondContact O-N 3.16Å; E925-I928 PolarHBondContact O-N 2.96Å; E925-I928 VanDerWaalsContact O-N 3.16Å; E925-R929 WeakPolarHBondContact O-CG 3.34Å; E925-R929 PolarHBondContact O-N 2.68Å
926	V	96.8	Very high	94	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-36.8	172.8	178.5	0	0	0	0	110.9	L798 L800 C870 L919 L921 S922 R929 A930	L798-V926 HydrophobicContact CD1-CB 4.38Å; L798-V926 HydrophobicContact CD1-CG2 3.71Å; L800-V926 HydrophobicContact CB-CG1 4.22Å; L800-V926 HydrophobicContact CD1-CG1 4.15Å; C870-V926 HydrophobicContact CB-CB 4.15Å; C870-V926 HydrophobicContact CB-CG1 3.88Å; L919-V926 HydrophobicContact CD2-CG2 3.8Å; L921-V926 HydrophobicContact CB-CG2 3.7Å; L921-V926 HydrophobicContact CD1-CG2 4.03Å; S922-V926 WeakPolarHBondContact O-CG2 3.34Å; S922-V926 PolarHBondContact O-N 2.83Å; V926-R929 PolarHBondContact O-N 3.28Å; V926-A930 WeakPolarHBondContact O-CB 3.38Å; V926-A930 PolarHBondContact O-N 2.7Å
927	Q	96.9	Very high	94.4	Very high	34 Å²	34	60 Å²	60	16%	0.159	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-40.7	173	-175.7	60.3	24.8	0	0	112.5	C870 T873 A923 E924 E925 R929 A930 L931	C870-Q927 HydrophobicContact CB-CB 4.02Å; T873-Q927 HydrophobicContact CG2-CB 3.68Å; T873-Q927 HydrophobicContact CG2-CG 3.63Å; A923-Q927 PolarHBondContact O-N 2.89Å; A923-Q927 VanDerWaalsContact O-N 3.11Å; E924-Q927 WeakPolarHBondContact O-CB 3.44Å; E924-Q927 PolarHBondContact O-N 2.69Å; E925-Q927 VanDerWaalsContact C-N 3.27Å; E925-Q927 PolarHBondContact O-N 3.16Å; Q927-R929 VanDerWaalsContact C-N 3.31Å; Q927-R929 PolarHBondContact O-N 3.48Å; Q927-A930 WeakPolarHBondContact O-CB 3.42Å; Q927-A930 PolarHBondContact O-N 3.15Å; Q927-A930 VanDerWaalsContact O-N 3.16Å; Q927-L931 HydrophobicContact CG-CD1 4.31Å; Q927-L931 HydrophobicContact CG-CG 4.42Å; Q927-L931 WeakPolarHBondContact O-CG 3.47Å; Q927-L931 PolarHBondContact O-N 2.66Å
928	I	95.9	Very high	94.6	Very high	105 Å²	105	58.2 Å²	58.2	54%	0.538	30%	0.3	S	S	.	.	H	α-helix	trans	-60.8	-42.2	175.5	-69.4	163.9	0	0	0	110.2	E924 E925 H932	E924-I928 WeakPolarHBondContact O-CG1 3.27Å; E924-I928 PolarHBondContact O-N 3.08Å; E925-I928 PolarHBondContact O-N 2.96Å; E925-I928 VanDerWaalsContact O-N 3.16Å; I928-H932 WeakPolarHBondContact O-CB 3.27Å; I928-H932 PolarHBondContact O-N 2.69Å; I928-H932 VanDerWaalsContact O-N 3.08Å
929	R	97.4	Very high	94.8	Very high	73 Å²	73	49.7 Å²	49.7	28%	0.275	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-42.2	172.7	-60.4	-43.5	-173.7	-176.7	3.1	111.9	S622 Y900 I904 L921 E925 V926 Q927 H932 C933	S622-R929 WeakPolarHBondContact OG-CD 3.46Å; S622-R929 PolarHBondContact OG-NE 2.75Å; S622-R929 PolarHBondContact OG-NH1 2.72Å; Y900-R929 HydrophobicContact CE1-CG 4.45Å; I904-R929 HydrophobicContact CD1-CB 4.06Å; I904-R929 HydrophobicContact CD1-CG 4.47Å; L921-R929 HydrophobicContact CD1-CG 4.38Å; E925-R929 WeakPolarHBondContact O-CG 3.34Å; E925-R929 PolarHBondContact O-N 2.68Å; V926-R929 PolarHBondContact O-N 3.28Å; Q927-R929 VanDerWaalsContact C-N 3.31Å; Q927-R929 PolarHBondContact O-N 3.48Å; R929-H932 PolarHBondContact O-N 3.32Å; R929-C933 WeakPolarHBondContact O-CB 3.31Å; R929-C933 PolarHBondContact O-N 2.96Å; R929-C933 PolarHBondContact O-SG 2.85Å
930	A	97.4	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-45.9	178.2	0	0	0	0	0	112.4	L800 V926 Q927 C933 N934	L800-A930 HydrophobicContact CD1-CB 3.69Å; V926-A930 WeakPolarHBondContact O-CB 3.38Å; V926-A930 PolarHBondContact O-N 2.7Å; Q927-A930 WeakPolarHBondContact O-CB 3.42Å; Q927-A930 PolarHBondContact O-N 3.15Å; Q927-A930 VanDerWaalsContact O-N 3.16Å; A930-C933 PolarHBondContact O-N 2.98Å; A930-N934 VanDerWaalsContact O-CG 3.28Å; A930-N934 PolarHBondContact O-N 2.87Å; A930-N934 PolarHBondContact O-ND2 3.11Å
931	L	95.5	Very high	95.3	Very high	90 Å²	90	51 Å²	51	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-46.9	175.7	-68.6	173.6	0	0	0	111.8	Q927 C933 N934 D935	Q927-L931 HydrophobicContact CG-CD1 4.31Å; Q927-L931 HydrophobicContact CG-CG 4.42Å; Q927-L931 WeakPolarHBondContact O-CG 3.47Å; Q927-L931 PolarHBondContact O-N 2.66Å; L931-C933 VanDerWaalsContact C-N 3.27Å; L931-C933 PolarHBondContact O-N 2.94Å; L931-N934 WeakPolarHBondContact O-CB 3.42Å; L931-N934 PolarHBondContact O-N 3.37Å; L931-D935 PolarHBondContact O-N 3.18Å
932	H	96.8	Very high	95.4	Very high	58 Å²	58	52.4 Å²	52.4	27%	0.269	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-36.3	175.8	-177.9	82.2	0	0	0	112.6	S622 Q623 I928 R929 D935 K936	S622-H932 PolarHBondContact O-CD2 3.08Å; S622-H932 PolarHBondContact O-NE2 3.12Å; Q623-H932 PolarHBondContact O-NE2 2.8Å; I928-H932 WeakPolarHBondContact O-CB 3.27Å; I928-H932 PolarHBondContact O-N 2.69Å; I928-H932 VanDerWaalsContact O-N 3.08Å; R929-H932 PolarHBondContact O-N 3.32Å; H932-D935 PolarHBondContact O-N 2.74Å; H932-K936 WeakPolarHBondContact O-CB 3.2Å; H932-K936 WeakPolarHBondContact O-CG 3.49Å; H932-K936 PolarHBondContact O-N 2.91Å
933	C	97.9	Very high	95.5	Very high	4 Å²	4	50 Å²	50	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-69.8	-31.4	174.4	-64.4	0	0	0	0	112.9	Y868 P901 R929 A930 L931 K937	Y868-C933 HydrophobicContact CD2-CB 3.79Å; Y868-C933 HydrophobicContact CE2-CB 4.11Å; P901-C933 HydrophobicContact CG-CB 3.72Å; R929-C933 WeakPolarHBondContact O-CB 3.31Å; R929-C933 PolarHBondContact O-N 2.96Å; R929-C933 PolarHBondContact O-SG 2.85Å; A930-C933 PolarHBondContact O-N 2.98Å; L931-C933 VanDerWaalsContact C-N 3.27Å; L931-C933 PolarHBondContact O-N 2.94Å; C933-K937 VanDerWaalsContact O-CB 3.25Å; C933-K937 WeakPolarHBondContact O-CB 3.1Å; C933-K937 PolarHBondContact O-N 3.14Å
934	N	96.2	Very high	95.4	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.08	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-46.4	172.5	-66.1	-32.2	0	0	0	111.4	L867 Y868 A930 L931 K937 T938	L867-N934 WeakPolarHBondContact CA-OD1 3.42Å; L867-N934 HydrophobicContact CD2-CB 4.1Å; Y868-N934 VanDerWaalsContact CD2-OD1 3.22Å; Y868-N934 WeakPolarHBondContact CD2-OD1 3.38Å; Y868-N934 PolarHBondContact N-OD1 2.88Å; Y868-N934 PolarHBondContact O-ND2 3.22Å; A930-N934 VanDerWaalsContact O-CG 3.28Å; A930-N934 PolarHBondContact O-N 2.87Å; A930-N934 PolarHBondContact O-ND2 3.11Å; L931-N934 WeakPolarHBondContact O-CB 3.42Å; L931-N934 PolarHBondContact O-N 3.37Å; N934-K937 PolarHBondContact O-N 2.89Å; N934-T938 WeakPolarHBondContact O-CB 3.35Å; N934-T938 PolarHBondContact O-N 2.97Å; N934-T938 PolarHBondContact O-OG1 3.07Å
935	D	93.4	Very high	95.3	Very high	60 Å²	60	45.9 Å²	45.9	32%	0.321	22%	0.221	S	C	.	.	H	α-helix	trans	-57.7	-53.8	175	-73.3	-17.2	0	0	0	110.2	K442 L931 H932 K937 T938 L939	K442-D935 WeakPolarHBondContact CE-OD2 3.44Å; K442-D935 IonicContact NZ-OD2 3.43Å; K442-D935 PolarHBondContact NZ-OD2 3.23Å; L931-D935 PolarHBondContact O-N 3.18Å; H932-D935 PolarHBondContact O-N 2.74Å; D935-K937 PolarHBondContact O-N 3.31Å; D935-T938 PolarHBondContact O-N 3.26Å; D935-L939 WeakPolarHBondContact O-CB 3.45Å; D935-L939 PolarHBondContact O-N 2.81Å
936	K	95.7	Very high	95.2	Very high	25 Å²	25	43.2 Å²	43.2	11%	0.109	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-34	-179	-76.5	-76.6	175.4	178.4	0	113.7	N535 Q623 A625 H932 L939 S940	N535-K936 PolarHBondContact O-NZ 2.97Å; Q623-K936 WeakPolarHBondContact O-CE 3.03Å; A625-K936 HydrophobicContact CB-CB 3.86Å; A625-K936 HydrophobicContact CB-CG 4.08Å; H932-K936 WeakPolarHBondContact O-CB 3.2Å; H932-K936 WeakPolarHBondContact O-CG 3.49Å; H932-K936 PolarHBondContact O-N 2.91Å; K936-L939 HydrophobicContact CD-CD1 4.13Å; K936-S940 WeakPolarHBondContact O-CB 3.48Å; K936-S940 PolarHBondContact O-N 3.4Å
937	K	94.8	Very high	95.2	Very high	39 Å²	39	43.2 Å²	43.2	17%	0.17	21%	0.21	C	C	.	.	H	α-helix	trans	-69.7	-41.4	173.7	-178.7	161.7	177.9	172.4	0	112	D150 Y868 C933 N934 D935 S940 K941	D150-K937 IonicContact OD1-NZ 2.67Å; D150-K937 PolarHBondContact OD1-NZ 3.05Å; D150-K937 WeakPolarHBondContact OD2-CE 3.47Å; D150-K937 IonicContact OD2-NZ 3.72Å; D150-K937 PolarHBondContact OD2-NZ 2.89Å; Y868-K937 HydrophobicContact CE2-CD 4.49Å; C933-K937 VanDerWaalsContact O-CB 3.25Å; C933-K937 WeakPolarHBondContact O-CB 3.1Å; C933-K937 PolarHBondContact O-N 3.14Å; N934-K937 PolarHBondContact O-N 2.89Å; D935-K937 PolarHBondContact O-N 3.31Å; K937-S940 PolarHBondContact O-N 3.4Å; K937-K941 PolarHBondContact O-N 3.36Å
938	T	91.8	Very high	95.1	Very high	71 Å²	71	43.5 Å²	43.5	44%	0.436	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-43.9	177.2	-53.2	0	0	0	0	111.2	L865 N934 D935 K941 K942	L865-T938 HydrophobicContact CD1-CG2 4.07Å; N934-T938 WeakPolarHBondContact O-CB 3.35Å; N934-T938 PolarHBondContact O-N 2.97Å; N934-T938 PolarHBondContact O-OG1 3.07Å; D935-T938 PolarHBondContact O-N 3.26Å; T938-K941 PolarHBondContact O-N 3.18Å; T938-K942 PolarHBondContact O-N 2.72Å; T938-K942 VanDerWaalsContact O-N 3.12Å
939	L	94.1	Very high	95	Very high	35 Å²	35	43 Å²	43	18%	0.183	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-50.2	173.7	-179.8	170.8	0	0	0	111.7	Y534 V536 D935 K936 K941 K942 V943	Y534-L939 WeakPolarHBondContact O-CD1 3.24Å; Y534-L939 WeakPolarHBondContact O-CD2 3.46Å; Y534-L939 WeakPolarHBondContact O-CG 3.46Å; V536-L939 HydrophobicContact CG2-CD2 3.7Å; D935-L939 WeakPolarHBondContact O-CB 3.45Å; D935-L939 PolarHBondContact O-N 2.81Å; K936-L939 HydrophobicContact CD-CD1 4.13Å; L939-K941 PolarHBondContact O-N 2.86Å; L939-K942 PolarHBondContact O-N 3.01Å; L939-V943 HydrophobicContact CD2-CG2 4.37Å; L939-V943 WeakPolarHBondContact O-CG2 3.39Å; L939-V943 PolarHBondContact O-N 2.92Å
940	S	95.5	Very high	94.9	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-47.4	176.8	-176	0	0	0	0	110.9	S627 K936 K937 K942 V943 Q944	S627-S940 PolarHBondContact O-OG 2.89Å; K936-S940 WeakPolarHBondContact O-CB 3.48Å; K936-S940 PolarHBondContact O-N 3.4Å; K937-S940 PolarHBondContact O-N 3.4Å; S940-K942 PolarHBondContact O-N 2.6Å; S940-V943 PolarHBondContact O-N 3.14Å; S940-Q944 WeakPolarHBondContact O-CG 3.32Å; S940-Q944 PolarHBondContact O-N 2.9Å; S940-Q944 PolarHBondContact OG-NE2 3.36Å
941	K	93.3	Very high	94.8	Very high	107 Å²	107	39.7 Å²	39.7	47%	0.465	20%	0.199	S	C	.	.	H	α-helix	trans	-55.5	-47.2	175.7	-170.2	-177.7	-172.9	-93.3	0	111.8	K937 T938 L939 V943 Q944 E945	K937-K941 PolarHBondContact O-N 3.36Å; T938-K941 PolarHBondContact O-N 3.18Å; L939-K941 PolarHBondContact O-N 2.86Å; K941-V943 VanDerWaalsContact C-N 3.34Å; K941-V943 PolarHBondContact O-N 2.68Å; K941-Q944 PolarHBondContact O-N 3.27Å; K941-E945 IonicContact NZ-OE1 2.81Å; K941-E945 PolarHBondContact NZ-OE1 3.09Å; K941-E945 WeakPolarHBondContact O-CG 3.23Å; K941-E945 PolarHBondContact O-N 3.48Å
942	K	93	Very high	94.8	Very high	57 Å²	57	35.5 Å²	35.5	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-68.6	-32.5	-178.6	-172.1	52.5	-172.1	159.5	0	113	Y534 T938 L939 S940 E945 L946 E949	Y534-K942 HydrophobicContact CE1-CB 4.01Å; Y534-K942 HydrophobicContact CE1-CG 3.71Å; T938-K942 PolarHBondContact O-N 2.72Å; T938-K942 VanDerWaalsContact O-N 3.12Å; L939-K942 PolarHBondContact O-N 3.01Å; S940-K942 PolarHBondContact O-N 2.6Å; K942-E945 HydrophobicContact CD-CB 4.13Å; K942-E945 WeakPolarHBondContact CD-OE2 3.33Å; K942-E945 IonicContact NZ-OE2 3.92Å; K942-E945 PolarHBondContact NZ-OE2 3.33Å; K942-E945 PolarHBondContact O-N 2.99Å; K942-L946 HydrophobicContact CD-CG 4.24Å; K942-L946 HydrophobicContact CG-CD1 4.1Å; K942-L946 HydrophobicContact CG-CG 4.36Å; K942-L946 WeakPolarHBondContact O-CB 3.28Å; K942-L946 VanDerWaalsContact O-CG 3.27Å; K942-L946 WeakPolarHBondContact O-CG 3.47Å; K942-L946 PolarHBondContact O-N 3.12Å; K942-E949 IonicContact NZ-OE1 2.94Å; K942-E949 PolarHBondContact NZ-OE1 3.12Å
943	V	96.3	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-38.4	173.4	168.7	0	0	0	0	111.8	I530 Y534 V536 V628 L630 L939 S940 K941 L946 S947	I530-V943 HydrophobicContact CG2-CB 4.31Å; I530-V943 HydrophobicContact CG2-CG1 3.95Å; I530-V943 HydrophobicContact CG2-CG2 4.08Å; Y534-V943 VanDerWaalsContact CB-CG2 3.41Å; Y534-V943 HydrophobicContact CD1-CG2 4.13Å; Y534-V943 HydrophobicContact CD2-CG2 4.31Å; Y534-V943 HydrophobicContact CG-CG2 3.68Å; V536-V943 HydrophobicContact CG2-CG1 4.35Å; V536-V943 HydrophobicContact CG2-CG2 3.89Å; V628-V943 HydrophobicContact CG1-CB 4.17Å; V628-V943 HydrophobicContact CG1-CG1 3.67Å; L630-V943 HydrophobicContact CD2-CG1 3.65Å; L939-V943 HydrophobicContact CD2-CG2 4.37Å; L939-V943 WeakPolarHBondContact O-CG2 3.39Å; L939-V943 PolarHBondContact O-N 2.92Å; S940-V943 PolarHBondContact O-N 3.14Å; K941-V943 VanDerWaalsContact C-N 3.34Å; K941-V943 PolarHBondContact O-N 2.68Å; V943-L946 PolarHBondContact O-N 3.22Å; V943-S947 WeakPolarHBondContact O-CB 3.21Å; V943-S947 PolarHBondContact O-N 3.08Å
944	Q	94.6	Very high	94.5	Very high	32 Å²	32	32.9 Å²	32.9	15%	0.15	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-42.3	175.3	-62.8	169.8	26.2	0	0	112	Q147 V628 Y629 S940 K941 S947 S948	Q147-Q944 VanDerWaalsContact NE2-OE1 3.16Å; V628-Q944 HydrophobicContact CG1-CG 4.35Å; Y629-Q944 WeakPolarHBondContact O-CG 3.31Å; S940-Q944 WeakPolarHBondContact O-CG 3.32Å; S940-Q944 PolarHBondContact O-N 2.9Å; S940-Q944 PolarHBondContact OG-NE2 3.36Å; K941-Q944 PolarHBondContact O-N 3.27Å; Q944-S947 PolarHBondContact O-N 3.1Å; Q944-S948 PolarHBondContact O-N 3.36Å; Q944-S948 VanDerWaalsContact O-N 3.1Å; Q944-S948 PolarHBondContact O-OG 2.9Å
945	E	92.7	Very high	94.5	Very high	66 Å²	66	33 Å²	33	31%	0.308	17%	0.165	S	C	.	.	H	α-helix	trans	-58.6	-50.6	171.7	-71	169.8	-165.9	0	0	111.1	K941 K942 S947 S948 E949	K941-E945 IonicContact NZ-OE1 2.81Å; K941-E945 PolarHBondContact NZ-OE1 3.09Å; K941-E945 WeakPolarHBondContact O-CG 3.23Å; K941-E945 PolarHBondContact O-N 3.48Å; K942-E945 HydrophobicContact CD-CB 4.13Å; K942-E945 WeakPolarHBondContact CD-OE2 3.33Å; K942-E945 IonicContact NZ-OE2 3.92Å; K942-E945 PolarHBondContact NZ-OE2 3.33Å; K942-E945 PolarHBondContact O-N 2.99Å; E945-S947 VanDerWaalsContact C-N 3.33Å; E945-S947 PolarHBondContact O-N 3.18Å; E945-S948 CarbonylContact O-C 3.54Å; E945-S948 WeakPolarHBondContact O-CB 3.44Å; E945-S948 PolarHBondContact O-N 3.11Å; E945-S948 VanDerWaalsContact O-N 3.07Å; E945-E949 WeakPolarHBondContact O-CG 3.45Å; E945-E949 PolarHBondContact O-N 2.7Å
946	L	94.3	Very high	94.5	Very high	33 Å²	33	30.2 Å²	30.2	17%	0.173	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-35.4	179.7	-72.3	169.4	0	0	0	113.1	I530 Y534 K942 V943 S948 E949 L950	I530-L946 HydrophobicContact CD1-CB 4.03Å; I530-L946 HydrophobicContact CG1-CB 4.34Å; I530-L946 HydrophobicContact CG2-CB 4.01Å; I530-L946 HydrophobicContact CG2-CD1 4.08Å; Y534-L946 HydrophobicContact CD2-CD1 4.07Å; Y534-L946 HydrophobicContact CE2-CD1 3.37Å; K942-L946 HydrophobicContact CD-CG 4.24Å; K942-L946 HydrophobicContact CG-CD1 4.1Å; K942-L946 HydrophobicContact CG-CG 4.36Å; K942-L946 WeakPolarHBondContact O-CB 3.28Å; K942-L946 VanDerWaalsContact O-CG 3.27Å; K942-L946 WeakPolarHBondContact O-CG 3.47Å; K942-L946 PolarHBondContact O-N 3.12Å; V943-L946 PolarHBondContact O-N 3.22Å; L946-S948 VanDerWaalsContact C-N 3.32Å; L946-E949 PolarHBondContact O-N 3.05Å; L946-L950 VanDerWaalsContact O-CB 3.28Å; L946-L950 WeakPolarHBondContact O-CB 3.37Å; L946-L950 PolarHBondContact O-N 3.23Å
947	S	96.3	Very high	94.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-39.5	172.6	-173.3	0	0	0	0	111.5	V631 V943 Q944 E945 Y951	V631-S947 PolarHBondContact N-OG 3.22Å; V631-S947 VanDerWaalsContact N-OG 3.13Å; V943-S947 WeakPolarHBondContact O-CB 3.21Å; V943-S947 PolarHBondContact O-N 3.08Å; Q944-S947 PolarHBondContact O-N 3.1Å; E945-S947 VanDerWaalsContact C-N 3.33Å; E945-S947 PolarHBondContact O-N 3.18Å; S947-Y951 WeakPolarHBondContact O-CD2 3.47Å; S947-Y951 PolarHBondContact O-N 3.28Å
948	S	94.5	Very high	94.3	Very high	39 Å²	39	37.9 Å²	37.9	27%	0.273	19%	0.185	S	C	.	.	H	α-helix	trans	-70.8	-39.2	175.4	-53.5	0	0	0	0	112.2	F752 Q944 E945 L946 F952	F752-S948 WeakPolarHBondContact CZ-O 3.22Å; Q944-S948 PolarHBondContact O-N 3.36Å; Q944-S948 VanDerWaalsContact O-N 3.1Å; Q944-S948 PolarHBondContact O-OG 2.9Å; E945-S948 CarbonylContact O-C 3.54Å; E945-S948 WeakPolarHBondContact O-CB 3.44Å; E945-S948 PolarHBondContact O-N 3.11Å; E945-S948 VanDerWaalsContact O-N 3.07Å; L946-S948 VanDerWaalsContact C-N 3.32Å; S948-F952 WeakPolarHBondContact O-CB 3Å; S948-F952 PolarHBondContact O-N 3.28Å
949	E	93.6	Very high	94.2	Very high	94 Å²	94	37.8 Å²	37.8	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-61.3	-44.6	173.5	-70.3	169.5	-126.5	0	0	111.5	K942 E945 L946 F952 G953	K942-E949 IonicContact NZ-OE1 2.94Å; K942-E949 PolarHBondContact NZ-OE1 3.12Å; E945-E949 WeakPolarHBondContact O-CG 3.45Å; E945-E949 PolarHBondContact O-N 2.7Å; L946-E949 PolarHBondContact O-N 3.05Å; E949-F952 PolarHBondContact O-N 3.37Å; E949-G953 PolarHBondContact O-N 2.86Å
950	L	95	Very high	94	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-57	-56.2	174	163.9	61.9	0	0	0	111.5	E526 T527 I530 L946 F952 G953 V954 L1046	E526-L950 HydrophobicContact CB-CD1 3.7Å; E526-L950 HydrophobicContact CB-CD2 3.89Å; E526-L950 HydrophobicContact CB-CG 4.46Å; E526-L950 HydrophobicContact CG-CD1 4.09Å; T527-L950 WeakPolarHBondContact OG1-CD2 3.39Å; I530-L950 HydrophobicContact CD1-CD2 4.18Å; L946-L950 VanDerWaalsContact O-CB 3.28Å; L946-L950 WeakPolarHBondContact O-CB 3.37Å; L946-L950 PolarHBondContact O-N 3.23Å; L950-F952 VanDerWaalsContact C-N 3.3Å; L950-F952 PolarHBondContact O-N 2.94Å; L950-G953 PolarHBondContact O-N 3.48Å; L950-V954 HydrophobicContact CD1-CG2 4.32Å; L950-V954 WeakPolarHBondContact O-CG2 3.44Å; L950-V954 PolarHBondContact O-N 2.73Å; L950-L1046 HydrophobicContact CD1-CD1 3.45Å; L950-L1046 VanDerWaalsContact CD1-CD1 3.45Å; L950-L1046 HydrophobicContact CD1-CD2 3.69Å; L950-L1046 HydrophobicContact CD1-CG 4.22Å
951	Y	95.9	Very high	93.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-35.1	-177.8	-94.5	-96.8	0	0	0	112.7	I523 V631 Q632 L754 P761 S947 F955	I523-Y951 HydrophobicContact CD1-CD1 4.5Å; I523-Y951 HydrophobicContact CD1-CE1 3.88Å; I523-Y951 HydrophobicContact CG2-CE2 3.7Å; I523-Y951 VanDerWaalsContact CG2-OH 3.26Å; I523-Y951 WeakPolarHBondContact CG2-OH 3.4Å; V631-Y951 HydrophobicContact CB-CD1 4.28Å; V631-Y951 HydrophobicContact CB-CD2 3.6Å; V631-Y951 HydrophobicContact CB-CE1 4.48Å; V631-Y951 HydrophobicContact CB-CE2 3.81Å; V631-Y951 HydrophobicContact CB-CG 3.85Å; V631-Y951 HydrophobicContact CG1-CD1 3.64Å; V631-Y951 HydrophobicContact CG1-CD2 3.91Å; V631-Y951 HydrophobicContact CG1-CE1 3.91Å; V631-Y951 HydrophobicContact CG1-CE2 4.15Å; V631-Y951 HydrophobicContact CG1-CG 3.63Å; V631-Y951 HydrophobicContact CG2-CD2 3.93Å; V631-Y951 HydrophobicContact CG2-CG 4.09Å; Q632-Y951 WeakPolarHBondContact CB-OH 3.29Å; L754-Y951 HydrophobicContact CD1-CE1 4.21Å; L754-Y951 HydrophobicContact CD2-CD1 3.85Å; L754-Y951 HydrophobicContact CD2-CE1 3.56Å; P761-Y951 HydrophobicContact CB-CD1 4.19Å; P761-Y951 HydrophobicContact CG-CD1 4.15Å; S947-Y951 WeakPolarHBondContact O-CD2 3.47Å; S947-Y951 PolarHBondContact O-N 3.28Å; Y951-F955 WeakPolarHBondContact O-CB 3.18Å; Y951-F955 PolarHBondContact O-N 2.86Å
952	F	95.2	Very high	93.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-72.8	-36.7	174.8	-170	-117.8	0	0	0	112.8	L750 F752 S948 E949 L950 V954 F955 V956 L962 Y983 V985 L1039 Y1048	L750-F952 HydrophobicContact CD2-CB 3.94Å; L750-F952 HydrophobicContact CD2-CD2 3.54Å; L750-F952 HydrophobicContact CD2-CE2 4.2Å; L750-F952 HydrophobicContact CD2-CG 3.79Å; F752-F952 HydrophobicContact CE1-CB 4.16Å; F752-F952 HydrophobicContact CZ-CB 4.06Å; S948-F952 WeakPolarHBondContact O-CB 3Å; S948-F952 PolarHBondContact O-N 3.28Å; E949-F952 PolarHBondContact O-N 3.37Å; L950-F952 VanDerWaalsContact C-N 3.3Å; L950-F952 PolarHBondContact O-N 2.94Å; F952-V954 VanDerWaalsContact C-N 3.34Å; F952-V954 PolarHBondContact O-N 2.86Å; F952-F955 HydrophobicContact CD2-CD1 4.05Å; F952-F955 HydrophobicContact CE2-CD1 4.02Å; F952-F955 PolarHBondContact O-N 3.07Å; F952-V956 HydrophobicContact CD1-CG2 4.23Å; F952-V956 HydrophobicContact CD2-CG2 4.43Å; F952-V956 HydrophobicContact CE1-CG2 3.88Å; F952-V956 HydrophobicContact CE2-CG2 4.09Å; F952-V956 HydrophobicContact CZ-CG2 3.81Å; F952-V956 WeakPolarHBondContact O-CG2 3.41Å; F952-V956 PolarHBondContact O-N 2.84Å; F952-L962 HydrophobicContact CE2-CD1 4.25Å; F952-L962 HydrophobicContact CZ-CD1 4.45Å; F952-Y983 AromaticContact CE2-CD1 3.54Å; F952-Y983 HydrophobicContact CE2-CD1 3.54Å; F952-Y983 HydrophobicContact CE2-CE1 4.03Å; F952-Y983 AromaticContact CE2-CG 3.87Å; F952-Y983 HydrophobicContact CE2-CG 3.87Å; F952-Y983 AromaticContact CZ-CD1 3.78Å; F952-Y983 HydrophobicContact CZ-CD1 3.78Å; F952-Y983 HydrophobicContact CZ-CD2 4.07Å; F952-Y983 HydrophobicContact CZ-CE1 4.41Å; F952-Y983 AromaticContact CZ-CG 3.58Å; F952-Y983 HydrophobicContact CZ-CG 3.58Å; F952-V985 HydrophobicContact CD1-CG1 3.88Å; F952-V985 HydrophobicContact CE1-CG1 3.76Å; F952-V985 HydrophobicContact CE1-CG2 4.02Å; F952-L1039 HydrophobicContact CE1-CD1 3.82Å; F952-L1039 HydrophobicContact CZ-CD1 3.64Å; F952-Y1048 HydrophobicContact CD1-CE1 4.18Å; F952-Y1048 AromaticContact CD1-CE2 3.99Å; F952-Y1048 HydrophobicContact CD1-CE2 3.99Å; F952-Y1048 AromaticContact CD1-CZ 3.56Å; F952-Y1048 WeakPolarHBondContact CD1-OH 3.4Å; F952-Y1048 AromaticContact CE1-CE2 3.63Å; F952-Y1048 HydrophobicContact CE1-CE2 3.63Å; F952-Y1048 AromaticContact CE1-CZ 3.7Å
953	G	94.6	Very high	93.9	Very high	2 Å²	2	38 Å²	38	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-41.1	172.4	0	0	0	0	0	112.7	E949 L950 K957	E949-G953 PolarHBondContact O-N 2.86Å; L950-G953 PolarHBondContact O-N 3.48Å; G953-K957 PolarHBondContact O-N 3.42Å
954	V	94.6	Very high	93.9	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-46.2	171.3	175.5	0	0	0	0	111	I523 M760 P761 L950 F952 V956 K957 E958 L1046	I523-V954 HydrophobicContact CD1-CG1 4.37Å; I523-V954 HydrophobicContact CG1-CG2 4.04Å; M760-V954 HydrophobicContact CE-CG1 3.58Å; M760-V954 HydrophobicContact SD-CG1 4.39Å; P761-V954 HydrophobicContact CG-CB 4.37Å; P761-V954 HydrophobicContact CG-CG1 4.04Å; L950-V954 HydrophobicContact CD1-CG2 4.32Å; L950-V954 WeakPolarHBondContact O-CG2 3.44Å; L950-V954 PolarHBondContact O-N 2.73Å; F952-V954 VanDerWaalsContact C-N 3.34Å; F952-V954 PolarHBondContact O-N 2.86Å; V954-V956 PolarHBondContact O-N 3.1Å; V954-K957 WeakPolarHBondContact O-CB 3.38Å; V954-K957 PolarHBondContact O-N 3.23Å; V954-E958 HydrophobicContact CG1-CG 4.11Å; V954-E958 WeakPolarHBondContact O-CG 3.26Å; V954-E958 PolarHBondContact O-N 3.44Å; V954-L1046 HydrophobicContact CG2-CD2 3.69Å
955	F	94.5	Very high	93.9	Very high	17 Å²	17	40.4 Å²	40.4	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-44.3	179.7	-178.8	-109.5	0	0	0	113.2	P761 G763 C764 Y951 F952 K957 E958 C959 L962	P761-F955 HydrophobicContact CB-CB 4.13Å; P761-F955 HydrophobicContact CB-CD2 4.12Å; P761-F955 HydrophobicContact CG-CB 3.97Å; G763-F955 VanDerWaalsContact CA-CE2 3.46Å; C764-F955 VanDerWaalsContact SG-CD1 3.59Å; C764-F955 WeakPolarHBondContact SG-CE1 3.38Å; Y951-F955 WeakPolarHBondContact O-CB 3.18Å; Y951-F955 PolarHBondContact O-N 2.86Å; F952-F955 HydrophobicContact CD2-CD1 4.05Å; F952-F955 HydrophobicContact CE2-CD1 4.02Å; F952-F955 PolarHBondContact O-N 3.07Å; F955-K957 VanDerWaalsContact C-N 3.28Å; F955-K957 PolarHBondContact O-N 3Å; F955-E958 PolarHBondContact O-N 2.95Å; F955-C959 HydrophobicContact CE2-CB 4.5Å; F955-C959 WeakPolarHBondContact CE2-SG 3.41Å; F955-C959 WeakPolarHBondContact O-CB 3.41Å; F955-C959 PolarHBondContact O-N 3Å; F955-L962 HydrophobicContact CD1-CD1 3.74Å; F955-L962 HydrophobicContact CE1-CD1 3.56Å
956	V	94.6	Very high	94	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-32.1	174.8	174	0	0	0	0	111.9	F952 V954 G960 L962 L1039 A1041 Y1048	F952-V956 HydrophobicContact CD1-CG2 4.23Å; F952-V956 HydrophobicContact CD2-CG2 4.43Å; F952-V956 HydrophobicContact CE1-CG2 3.88Å; F952-V956 HydrophobicContact CE2-CG2 4.09Å; F952-V956 HydrophobicContact CZ-CG2 3.81Å; F952-V956 WeakPolarHBondContact O-CG2 3.41Å; F952-V956 PolarHBondContact O-N 2.84Å; V954-V956 PolarHBondContact O-N 3.1Å; V956-G960 CarbonylContact O-C 3.51Å; V956-G960 PolarHBondContact O-N 2.85Å; V956-G960 VanDerWaalsContact O-O 3.12Å; V956-L962 HydrophobicContact CG2-CD1 3.79Å; V956-L962 HydrophobicContact CG2-CG 4.44Å; V956-L1039 HydrophobicContact CG1-CB 4.49Å; V956-A1041 HydrophobicContact CG1-CB 4.41Å; V956-Y1048 HydrophobicContact CG1-CD2 4.44Å; V956-Y1048 HydrophobicContact CG1-CG 4.34Å; V956-Y1048 HydrophobicContact CG2-CD2 4.29Å
957	K	93.1	Very high	94.1	Very high	124 Å²	124	35.7 Å²	35.7	54%	0.539	19%	0.19	S	C	.	.	H	α-helix	trans	-72.4	-47.3	176.3	174.4	176.4	164	-79.9	0	112.3	G953 V954 F955 A1041	G953-K957 PolarHBondContact O-N 3.42Å; V954-K957 WeakPolarHBondContact O-CB 3.38Å; V954-K957 PolarHBondContact O-N 3.23Å; F955-K957 VanDerWaalsContact C-N 3.28Å; F955-K957 PolarHBondContact O-N 3Å; K957-A1041 HydrophobicContact CB-CB 4.08Å
958	E	92	Very high	94.1	Very high	102 Å²	102	35.6 Å²	35.6	48%	0.477	19%	0.19	S	C	.	.	H	α-helix	trans	-77.7	-33.8	-175.6	-58.4	-49.3	123	0	0	113.3	M760 V954 F955	M760-E958 HydrophobicContact CE-CG 3.76Å; V954-E958 HydrophobicContact CG1-CG 4.11Å; V954-E958 WeakPolarHBondContact O-CG 3.26Å; V954-E958 PolarHBondContact O-N 3.44Å; F955-E958 PolarHBondContact O-N 2.95Å
959	C	90.8	Very high	94.1	Very high	69 Å²	69	34.6 Å²	34.6	47%	0.466	18%	0.181	S	C	.	.	H	α-helix	trans	-84.1	-11.6	177.3	-67.8	0	0	0	0	113.9	F955 L962	F955-C959 HydrophobicContact CE2-CB 4.5Å; F955-C959 WeakPolarHBondContact CE2-SG 3.41Å; F955-C959 WeakPolarHBondContact O-CB 3.41Å; F955-C959 PolarHBondContact O-N 3Å; C959-L962 HydrophobicContact CB-CD2 3.88Å
960	G	89.8	Confident	94	Very high	24 Å²	24	31.4 Å²	31.4	25%	0.247	17%	0.171	C	C	.	.			trans	73	-162.4	-171.9	0	0	0	0	0	113.2	V956 L962	V956-G960 CarbonylContact O-C 3.51Å; V956-G960 PolarHBondContact O-N 2.85Å; V956-G960 VanDerWaalsContact O-O 3.12Å; G960-L962 PolarHBondContact O-N 2.89Å
961	P	91.7	Very high	93.8	Very high	71 Å²	71	31.5 Å²	31.5	46%	0.461	17%	0.172	S	C	.	.	S	Bend	trans	-63.8	122.1	-169.1	-20.8	32.2	0	0	0	113.3	Q1038 L1039	P961-Q1038 VanDerWaalsContact CB-CD 3.41Å; P961-Q1038 HydrophobicContact CB-CG 3.59Å; P961-L1039 CarbonylContact C-O 3.52Å; P961-L1039 VanDerWaalsContact CA-O 3.27Å; P961-L1039 WeakPolarHBondContact CA-O 3.47Å
962	L	94.3	Very high	93.5	Very high	18 Å²	18	32.9 Å²	32.9	9%	0.094	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126	-176.7	-56.4	-174.8	0	0	0	111.6	F952 F955 V956 C959 G960 Y983 Q1038 L1039	F952-L962 HydrophobicContact CE2-CD1 4.25Å; F952-L962 HydrophobicContact CZ-CD1 4.45Å; F955-L962 HydrophobicContact CD1-CD1 3.74Å; F955-L962 HydrophobicContact CE1-CD1 3.56Å; V956-L962 HydrophobicContact CG2-CD1 3.79Å; V956-L962 HydrophobicContact CG2-CG 4.44Å; C959-L962 HydrophobicContact CB-CD2 3.88Å; G960-L962 PolarHBondContact O-N 2.89Å; L962-Y983 HydrophobicContact CB-CE2 4.16Å; L962-Y983 HydrophobicContact CD1-CE1 4.3Å; L962-Y983 HydrophobicContact CD1-CE2 4.42Å; L962-Q1038 WeakPolarHBondContact O-CA 3.19Å; L962-L1039 HydrophobicContact CB-CB 4.31Å; L962-L1039 PolarHBondContact N-O 3.06Å; L962-L1039 PolarHBondContact O-N 3.16Å
963	E	94.3	Very high	93.2	Very high	94 Å²	94	36.8 Å²	36.8	44%	0.439	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140	-178.1	-45.9	-151.1	140.2	0	0	112.4	Q1038 K1053	E963-Q1038 HydrophobicContact CG-CG 4.39Å; E963-Q1038 PolarHBondContact OE1-NE2 3.28Å; E963-K1053 WeakPolarHBondContact OE1-CE 2.94Å; E963-K1053 IonicContact OE1-NZ 2.86Å; E963-K1053 PolarHBondContact OE1-NZ 3.47Å; E963-K1053 IonicContact OE2-NZ 3.25Å; E963-K1053 PolarHBondContact OE2-NZ 3.38Å
964	S	94.6	Very high	93.1	Very high	12 Å²	12	41.5 Å²	41.5	8%	0.084	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	148.1	177.4	-177.2	0	0	0	0	110.9	K982 V1037	S964-K982 WeakPolarHBondContact OG-CB 3.4Å; S964-K982 PolarHBondContact OG-N 3.31Å; S964-V1037 PolarHBondContact N-O 3.34Å; S964-V1037 VanDerWaalsContact N-O 3.07Å; S964-V1037 WeakPolarHBondContact O-CG2 3.38Å; S964-V1037 PolarHBondContact O-N 3.18Å; S964-V1037 VanDerWaalsContact O-O 3.11Å
965	K	95.3	Very high	93	Very high	69 Å²	69	41.6 Å²	41.6	30%	0.3	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	149.2	155.5	-69.6	174.4	-177.4	171.5	0	109.7	E846 Y850 L981 V1034 V1035 D1036	E846-K965 IonicContact OE1-NZ 3.27Å; E846-K965 PolarHBondContact OE1-NZ 2.82Å; E846-K965 IonicContact OE2-NZ 3.75Å; E846-K965 PolarHBondContact OE2-NZ 3.37Å; Y850-K965 HydrophobicContact CE2-CB 4.32Å; Y850-K965 HydrophobicContact CE2-CD 3.92Å; Y850-K965 WeakPolarHBondContact OH-CD 3.4Å; K965-L981 HydrophobicContact CB-CD1 4.13Å; K965-L981 PolarHBondContact O-N 2.92Å; K965-L981 VanDerWaalsContact O-N 3.09Å; K965-V1034 HydrophobicContact CB-CG1 4.36Å; K965-V1034 HydrophobicContact CD-CG1 4.42Å; K965-V1034 HydrophobicContact CG-CG1 4.44Å; K965-V1035 CarbonylContact C-O 3.59Å; K965-D1036 VanDerWaalsContact CG-OD1 3.3Å; K965-D1036 WeakPolarHBondContact CG-OD1 3.35Å
966	A	96.1	Very high	93	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.6	170.9	0	0	0	0	0	110	V978 L979 V980 V1034 V1035 V1037	A966-V978 HydrophobicContact CB-CB 3.89Å; A966-V978 HydrophobicContact CB-CG2 3.98Å; A966-L979 CarbonylContact C-O 3.53Å; A966-L979 WeakPolarHBondContact CA-O 3.23Å; A966-L979 VanDerWaalsContact CB-O 3.28Å; A966-L979 WeakPolarHBondContact CB-O 3.49Å; A966-V980 HydrophobicContact CB-CB 4.43Å; A966-V980 HydrophobicContact CB-CG2 4.18Å; A966-V1034 WeakPolarHBondContact O-CA 3.34Å; A966-V1035 HydrophobicContact CB-CG2 4.38Å; A966-V1035 PolarHBondContact N-O 2.75Å; A966-V1035 PolarHBondContact O-N 3.05Å; A966-V1037 HydrophobicContact CB-CG1 3.93Å; A966-V1037 HydrophobicContact CB-CG2 3.81Å
967	M	96.1	Very high	93	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.1	175.7	-177	175.9	-85.7	0	0	110.9	Y847 R851 V854 V978 L979 L981 F1032 S1033 V1034	Y847-M967 HydrophobicContact CD2-CE 3.65Å; Y847-M967 HydrophobicContact CE2-CE 3.68Å; Y847-M967 HydrophobicContact CG-CE 4.26Å; R851-M967 VanDerWaalsContact CA-SD 3.54Å; R851-M967 HydrophobicContact CB-CE 4.19Å; R851-M967 HydrophobicContact CB-SD 4.09Å; R851-M967 PolarHBondContact N-SD 3.22Å; V854-M967 HydrophobicContact CB-SD 4.35Å; V854-M967 HydrophobicContact CG2-CB 3.88Å; V854-M967 HydrophobicContact CG2-CG 3.87Å; V854-M967 HydrophobicContact CG2-SD 3.83Å; M967-V978 WeakPolarHBondContact O-CA 3.34Å; M967-L979 PolarHBondContact N-O 3.24Å; M967-L979 PolarHBondContact O-N 2.96Å; M967-L981 HydrophobicContact CB-CD1 4.22Å; M967-L981 HydrophobicContact CB-CD2 4.39Å; M967-F1032 WeakPolarHBondContact CE-O 3.28Å; M967-F1032 HydrophobicContact SD-CB 4.11Å; M967-F1032 HydrophobicContact SD-CD1 3.84Å; M967-F1032 HydrophobicContact SD-CG 4.45Å; M967-S1033 WeakPolarHBondContact CA-O 3.38Å; M967-V1034 HydrophobicContact CE-CG2 3.55Å
968	V	96.4	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.8	-176.6	179.6	0	0	0	0	111.3	V971 F976 D977 V978 I1029 S1030 F1032 S1033 V1035	V968-V971 HydrophobicContact CG1-CG2 3.67Å; V968-F976 HydrophobicContact CG1-CB 4.35Å; V968-F976 HydrophobicContact CG1-CD2 4.27Å; V968-F976 HydrophobicContact CG2-CD2 3.89Å; V968-F976 HydrophobicContact CG2-CE2 4.16Å; V968-D977 CarbonylContact C-O 3.46Å; V968-D977 WeakPolarHBondContact CA-O 3.33Å; V968-V978 HydrophobicContact CG2-CG1 3.94Å; V968-I1029 HydrophobicContact CG1-CG2 4.29Å; V968-I1029 HydrophobicContact CG2-CG2 3.95Å; V968-S1030 VanDerWaalsContact CB-O 3.25Å; V968-S1030 WeakPolarHBondContact CB-O 3.26Å; V968-S1030 VanDerWaalsContact CG1-O 3.25Å; V968-S1030 WeakPolarHBondContact CG1-O 3.5Å; V968-F1032 PolarHBondContact O-N 3.49Å; V968-S1033 WeakPolarHBondContact CG2-O 3.47Å; V968-S1033 PolarHBondContact N-O 2.82Å; V968-V1035 HydrophobicContact CG2-CG2 4.34Å
969	M	93	Very high	93.3	Very high	17 Å²	17	31.1 Å²	31.1	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-36.8	-179	-52.3	-174.6	70.6	0	0	112.5	V854 N857 M858 D977 L979 Q986	V854-M969 HydrophobicContact CG1-CB 4.35Å; V854-M969 HydrophobicContact CG1-CE 4.35Å; V854-M969 HydrophobicContact CG1-CG 3.99Å; V854-M969 HydrophobicContact CG2-CG 4.35Å; N857-M969 HydrophobicContact CB-CE 3.94Å; N857-M969 WeakPolarHBondContact OD1-CE 3.45Å; M858-M969 HydrophobicContact CE-CB 4.47Å; M858-M969 WeakPolarHBondContact CE-O 3.44Å; M969-D977 PolarHBondContact N-O 3.19Å; M969-L979 HydrophobicContact CG-CB 4.11Å; M969-L979 HydrophobicContact SD-CB 3.78Å; M969-Q986 HydrophobicContact SD-CG 3.9Å
970	A	91.3	Very high	93.4	Very high	27 Å²	27	27.9 Å²	27.9	22%	0.223	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.2	-177.9	0	0	0	0	0	110.9	F976 D977	A970-F976 CarbonylContact O-C 3.53Å; A970-F976 VanDerWaalsContact O-CA 3.29Å; A970-F976 WeakPolarHBondContact O-CA 3.43Å; A970-F976 VanDerWaalsContact O-CB 3.3Å; A970-F976 WeakPolarHBondContact O-CB 3.49Å; A970-D977 HydrophobicContact CB-CB 4.27Å; A970-D977 PolarHBondContact O-N 3.33Å
971	V	92	Very high	93.5	Very high	8 Å²	8	27.1 Å²	27.1	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.9	-178.8	-179.9	0	0	0	0	109.8	V968 F976 F1002 P1009 L1011 I1029 I1031	V968-V971 HydrophobicContact CG1-CG2 3.67Å; V971-F976 HydrophobicContact CG2-CB 4.22Å; V971-F1002 HydrophobicContact CG1-CD2 4.43Å; V971-F1002 HydrophobicContact CG1-CE2 4.32Å; V971-P1009 HydrophobicContact CB-CB 4.17Å; V971-P1009 HydrophobicContact CB-CG 4.38Å; V971-P1009 HydrophobicContact CG1-CB 4.48Å; V971-L1011 HydrophobicContact CG1-CB 3.66Å; V971-I1029 HydrophobicContact CG2-CG2 4.32Å; V971-I1031 HydrophobicContact CG2-CG1 4.32Å
972	L	90.1	Very high	93.4	Very high	29 Å²	29	29.3 Å²	29.3	15%	0.152	15%	0.145	C	C	.	.			trans	-122.5	179.7	-178.1	-58.4	177.5	0	0	0	111	D358 K974 S975 R988 F1002	D358-L972 WeakPolarHBondContact OD1-CD2 3.5Å; L972-K974 VanDerWaalsContact C-N 3.31Å; L972-K974 PolarHBondContact O-N 3.33Å; L972-S975 CarbonylContact C-O 3.58Å; L972-S975 WeakPolarHBondContact CA-O 3.43Å; L972-S975 WeakPolarHBondContact CB-O 3.31Å; L972-S975 PolarHBondContact N-O 3.23Å; L972-R988 VanDerWaalsContact CD1-CZ 3.44Å; L972-F1002 VanDerWaalsContact O-CD2 3.23Å; L972-F1002 WeakPolarHBondContact O-CD2 3.41Å
973	D	88.4	Confident	93.3	Very high	84 Å²	84	29 Å²	29	45%	0.449	14%	0.143	S	C	.	.	S	Bend	trans	-69.7	-22.7	-172.3	77	-35.1	0	0	0	115.1	F1002	D973-F1002 HydrophobicContact CB-CB 4.33Å; D973-F1002 HydrophobicContact CB-CD1 4.4Å; D973-F1002 HydrophobicContact CB-CG 4.22Å
974	K	91.3	Very high	93.1	Very high	101 Å²	101	25.4 Å²	25.4	44%	0.439	13%	0.13	S	C	.	.	S	Bend	trans	-136.6	6.8	-178.5	-58.8	-179	-169.8	76.8	0	114	L972 C991 Y1000	L972-K974 VanDerWaalsContact C-N 3.31Å; L972-K974 PolarHBondContact O-N 3.33Å; K974-C991 PolarHBondContact O-N 2.83Å; K974-C991 PolarHBondContact O-SG 3.25Å; K974-Y1000 HydrophobicContact CB-CE2 4.3Å; K974-Y1000 HydrophobicContact CG-CE2 4.12Å
975	S	93.1	Very high	92.8	Very high	6 Å²	6	26 Å²	26	4%	0.042	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	166.9	-173.8	54.1	0	0	0	0	112	L972 I989	L972-S975 CarbonylContact C-O 3.58Å; L972-S975 WeakPolarHBondContact CA-O 3.43Å; L972-S975 WeakPolarHBondContact CB-O 3.31Å; L972-S975 PolarHBondContact N-O 3.23Å; S975-I989 CarbonylContact C-O 3.51Å; S975-I989 WeakPolarHBondContact CA-O 3.49Å; S975-I989 WeakPolarHBondContact CB-O 3.27Å
976	F	94.9	Very high	92.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.9	171.4	60.4	-85.6	0	0	0	110.4	V968 A970 V971 V978 R988 I989 I994 L1011 I1029 L1052	V968-F976 HydrophobicContact CG1-CB 4.35Å; V968-F976 HydrophobicContact CG1-CD2 4.27Å; V968-F976 HydrophobicContact CG2-CD2 3.89Å; V968-F976 HydrophobicContact CG2-CE2 4.16Å; A970-F976 CarbonylContact O-C 3.53Å; A970-F976 VanDerWaalsContact O-CA 3.29Å; A970-F976 WeakPolarHBondContact O-CA 3.43Å; A970-F976 VanDerWaalsContact O-CB 3.3Å; A970-F976 WeakPolarHBondContact O-CB 3.49Å; V971-F976 HydrophobicContact CG2-CB 4.22Å; F976-V978 HydrophobicContact CD2-CG1 3.67Å; F976-V978 HydrophobicContact CE2-CG1 3.59Å; F976-R988 WeakPolarHBondContact O-CA 3.3Å; F976-I989 HydrophobicContact CE1-CB 4.05Å; F976-I989 HydrophobicContact CE1-CG2 4.09Å; F976-I989 HydrophobicContact CE2-CB 4.09Å; F976-I989 HydrophobicContact CE2-CD1 3.88Å; F976-I989 HydrophobicContact CE2-CG1 4.25Å; F976-I989 HydrophobicContact CZ-CB 3.82Å; F976-I989 HydrophobicContact CZ-CD1 3.94Å; F976-I989 HydrophobicContact CZ-CG1 4.33Å; F976-I989 HydrophobicContact CZ-CG2 3.96Å; F976-I989 PolarHBondContact N-O 2.96Å; F976-I989 PolarHBondContact O-N 2.85Å; F976-I994 HydrophobicContact CE1-CD1 4.36Å; F976-L1011 HydrophobicContact CD1-CD2 3.66Å; F976-L1011 HydrophobicContact CE1-CD2 4.29Å; F976-I1029 HydrophobicContact CB-CG2 4.34Å; F976-I1029 HydrophobicContact CD1-CG2 4.12Å; F976-I1029 HydrophobicContact CD2-CG2 4.01Å; F976-I1029 HydrophobicContact CE1-CG2 4.43Å; F976-I1029 HydrophobicContact CE2-CG2 4.32Å; F976-I1029 HydrophobicContact CG-CG2 3.9Å; F976-L1052 HydrophobicContact CE1-CD2 4.45Å; F976-L1052 HydrophobicContact CZ-CD1 4.27Å; F976-L1052 HydrophobicContact CZ-CD2 4Å
977	D	94.6	Very high	92.5	Very high	23 Å²	23	29 Å²	29	12%	0.123	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.3	-179.2	-62	-42.1	0	0	0	110.4	V968 M969 A970 K987 R988	V968-D977 CarbonylContact C-O 3.46Å; V968-D977 WeakPolarHBondContact CA-O 3.33Å; M969-D977 PolarHBondContact N-O 3.19Å; A970-D977 HydrophobicContact CB-CB 4.27Å; A970-D977 PolarHBondContact O-N 3.33Å; D977-K987 WeakPolarHBondContact CA-O 3.17Å; D977-R988 WeakPolarHBondContact OD1-CA 3.39Å; D977-R988 VanDerWaalsContact OD1-CB 3.23Å; D977-R988 WeakPolarHBondContact OD1-CB 3.22Å; D977-R988 WeakPolarHBondContact OD1-CG 3.3Å; D977-R988 IonicContact OD1-CZ 2.79Å; D977-R988 IonicContact OD1-NE 2.75Å; D977-R988 PolarHBondContact OD1-NE 2.84Å; D977-R988 IonicContact OD1-NH2 3.59Å; D977-R988 PolarHBondContact OD1-NH2 2.86Å; D977-R988 IonicContact OD2-CZ 3.04Å; D977-R988 IonicContact OD2-NE 3.7Å; D977-R988 IonicContact OD2-NH2 3.94Å; D977-R988 PolarHBondContact OD2-NH2 3.45Å
978	V	95.7	Very high	92.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.2	179.3	-59.5	0	0	0	0	112.3	A966 M967 V968 F976 V980 Q986 K987 I989 V1035	A966-V978 HydrophobicContact CB-CB 3.89Å; A966-V978 HydrophobicContact CB-CG2 3.98Å; M967-V978 WeakPolarHBondContact O-CA 3.34Å; V968-V978 HydrophobicContact CG2-CG1 3.94Å; F976-V978 HydrophobicContact CD2-CG1 3.67Å; F976-V978 HydrophobicContact CE2-CG1 3.59Å; V978-V980 HydrophobicContact CG2-CG2 4.07Å; V978-Q986 WeakPolarHBondContact O-CA 3.39Å; V978-K987 HydrophobicContact CG2-CB 4.46Å; V978-K987 WeakPolarHBondContact CG2-O 3.32Å; V978-K987 PolarHBondContact N-O 2.9Å; V978-K987 PolarHBondContact O-N 2.98Å; V978-I989 HydrophobicContact CG1-CD1 4.39Å; V978-I989 HydrophobicContact CG2-CD1 4.19Å; V978-I989 HydrophobicContact CG2-CG1 4.38Å; V978-V1035 HydrophobicContact CG1-CG2 4.11Å
979	L	94.7	Very high	92.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.3	161.9	-179.6	63.8	0	0	0	108.4	Q853 V854 A966 M967 M969 L981 G984 Q986	Q853-L979 HydrophobicContact CB-CD2 4Å; V854-L979 HydrophobicContact CG2-CB 4.11Å; V854-L979 HydrophobicContact CG2-CD2 3.95Å; A966-L979 CarbonylContact C-O 3.53Å; A966-L979 WeakPolarHBondContact CA-O 3.23Å; A966-L979 VanDerWaalsContact CB-O 3.28Å; A966-L979 WeakPolarHBondContact CB-O 3.49Å; M967-L979 PolarHBondContact N-O 3.24Å; M967-L979 PolarHBondContact O-N 2.96Å; M969-L979 HydrophobicContact CG-CB 4.11Å; M969-L979 HydrophobicContact SD-CB 3.78Å; L979-L981 HydrophobicContact CD2-CD2 4.25Å; L979-L981 HydrophobicContact CG-CD2 4.42Å; L979-L981 PolarHBondContact O-N 2.99Å; L979-G984 WeakPolarHBondContact CD1-O 3.21Å; L979-Q986 HydrophobicContact CD1-CG 4.07Å
980	V	94.5	Very high	92.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	101.5	-178.6	-172.1	0	0	0	0	109.3	A966 V978 K982 Y983 G984 V985 V1037 L1039	A966-V980 HydrophobicContact CB-CB 4.43Å; A966-V980 HydrophobicContact CB-CG2 4.18Å; V978-V980 HydrophobicContact CG2-CG2 4.07Å; V980-K982 PolarHBondContact O-N 3.24Å; V980-Y983 HydrophobicContact CG1-CD2 4.11Å; V980-Y983 PolarHBondContact O-N 3.38Å; V980-G984 PolarHBondContact O-N 3.19Å; V980-V985 HydrophobicContact CB-CG2 3.85Å; V980-V985 HydrophobicContact CG2-CG2 4.1Å; V980-V985 PolarHBondContact N-O 3.11Å; V980-V1037 HydrophobicContact CG1-CG2 3.92Å; V980-V1037 HydrophobicContact CG2-CG2 4.09Å; V980-L1039 HydrophobicContact CG1-CD1 4.21Å; V980-L1039 HydrophobicContact CG1-CG 4.43Å; V980-L1039 HydrophobicContact CG2-CD2 4.32Å
981	L	91.3	Very high	92.2	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.047	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-33.5	-152	-65	152.7	0	0	0	113.9	I766 Y850 K965 M967 L979 Y983	I766-L981 VanDerWaalsContact CD1-O 3.32Å; I766-L981 WeakPolarHBondContact CD1-O 3.48Å; Y850-L981 HydrophobicContact CD1-CB 4.31Å; Y850-L981 HydrophobicContact CD1-CD1 3.68Å; Y850-L981 HydrophobicContact CD1-CD2 3.76Å; Y850-L981 HydrophobicContact CD1-CG 4.11Å; Y850-L981 HydrophobicContact CD2-CD1 3.38Å; Y850-L981 HydrophobicContact CE1-CB 4.19Å; Y850-L981 HydrophobicContact CE1-CD1 3.87Å; Y850-L981 HydrophobicContact CE1-CD2 4.48Å; Y850-L981 HydrophobicContact CE1-CG 4.39Å; Y850-L981 HydrophobicContact CE2-CD1 3.55Å; Y850-L981 HydrophobicContact CG-CD1 3.41Å; Y850-L981 VanDerWaalsContact CG-CD1 3.41Å; Y850-L981 HydrophobicContact CG-CD2 3.83Å; Y850-L981 HydrophobicContact CG-CG 4.18Å; K965-L981 HydrophobicContact CB-CD1 4.13Å; K965-L981 PolarHBondContact O-N 2.92Å; K965-L981 VanDerWaalsContact O-N 3.09Å; M967-L981 HydrophobicContact CB-CD1 4.22Å; M967-L981 HydrophobicContact CB-CD2 4.39Å; L979-L981 HydrophobicContact CD2-CD2 4.25Å; L979-L981 HydrophobicContact CG-CD2 4.42Å; L979-L981 PolarHBondContact O-N 2.99Å; L981-Y983 VanDerWaalsContact C-N 3.26Å; L981-Y983 PolarHBondContact O-N 3.23Å
982	K	90.3	Very high	92	Very high	117 Å²	117	40.4 Å²	40.4	51%	0.509	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20	177.5	-173.7	178.9	173.6	-162.4	0	113.9	S964 V980	S964-K982 WeakPolarHBondContact OG-CB 3.4Å; S964-K982 PolarHBondContact OG-N 3.31Å; V980-K982 PolarHBondContact O-N 3.24Å
983	Y	91.4	Very high	91.8	Very high	12 Å²	12	41.9 Å²	41.9	5%	0.047	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-9.4	-170.1	-59.4	-66.1	0	0	0	113.9	L750 F952 L962 V980 L981 V985 L1039	L750-Y983 HydrophobicContact CD1-CD1 4.49Å; F952-Y983 AromaticContact CE2-CD1 3.54Å; F952-Y983 HydrophobicContact CE2-CD1 3.54Å; F952-Y983 HydrophobicContact CE2-CE1 4.03Å; F952-Y983 AromaticContact CE2-CG 3.87Å; F952-Y983 HydrophobicContact CE2-CG 3.87Å; F952-Y983 AromaticContact CZ-CD1 3.78Å; F952-Y983 HydrophobicContact CZ-CD1 3.78Å; F952-Y983 HydrophobicContact CZ-CD2 4.07Å; F952-Y983 HydrophobicContact CZ-CE1 4.41Å; F952-Y983 AromaticContact CZ-CG 3.58Å; F952-Y983 HydrophobicContact CZ-CG 3.58Å; L962-Y983 HydrophobicContact CB-CE2 4.16Å; L962-Y983 HydrophobicContact CD1-CE1 4.3Å; L962-Y983 HydrophobicContact CD1-CE2 4.42Å; V980-Y983 HydrophobicContact CG1-CD2 4.11Å; V980-Y983 PolarHBondContact O-N 3.38Å; L981-Y983 VanDerWaalsContact C-N 3.26Å; L981-Y983 PolarHBondContact O-N 3.23Å; Y983-V985 PolarHBondContact O-N 3.19Å; Y983-L1039 HydrophobicContact CD2-CD1 3.87Å; Y983-L1039 HydrophobicContact CE2-CD1 4.35Å
984	G	89.1	Confident	91.8	Very high	17 Å²	17	38.5 Å²	38.5	18%	0.175	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-0.6	-179.3	0	0	0	0	0	115.6	P748 L979 V980	P748-G984 VanDerWaalsContact CG-CA 3.47Å; L979-G984 WeakPolarHBondContact CD1-O 3.21Å; V980-G984 PolarHBondContact O-N 3.19Å
985	V	89.9	Confident	91.5	Very high	25 Å²	25	37.9 Å²	37.9	15%	0.152	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	143.9	-174.9	-59.4	0	0	0	0	112.3	F952 V980 Y983 L1039	F952-V985 HydrophobicContact CD1-CG1 3.88Å; F952-V985 HydrophobicContact CE1-CG1 3.76Å; F952-V985 HydrophobicContact CE1-CG2 4.02Å; V980-V985 HydrophobicContact CB-CG2 3.85Å; V980-V985 HydrophobicContact CG2-CG2 4.1Å; V980-V985 PolarHBondContact N-O 3.11Å; Y983-V985 PolarHBondContact O-N 3.19Å; V985-L1039 HydrophobicContact CG2-CD1 4.18Å
986	Q	92.1	Very high	91.1	Very high	88 Å²	88	39 Å²	39	41%	0.411	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138.5	173.2	-63.5	-177.3	15.8	0	0	110.6	N857 M969 V978 L979	N857-Q986 PolarHBondContact ND2-NE2 3.08Å; N857-Q986 PolarHBondContact OD1-NE2 3.24Å; M969-Q986 HydrophobicContact SD-CG 3.9Å; V978-Q986 WeakPolarHBondContact O-CA 3.39Å; L979-Q986 HydrophobicContact CD1-CG 4.07Å
987	K	92.4	Very high	90.9	Very high	43 Å²	43	40.5 Å²	40.5	19%	0.187	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.4	176.8	-69.8	-67.1	179.2	168.9	0	111.7	D977 V978 L1039 Y1048 A1050	D977-K987 WeakPolarHBondContact CA-O 3.17Å; V978-K987 HydrophobicContact CG2-CB 4.46Å; V978-K987 WeakPolarHBondContact CG2-O 3.32Å; V978-K987 PolarHBondContact N-O 2.9Å; V978-K987 PolarHBondContact O-N 2.98Å; K987-L1039 HydrophobicContact CG-CD2 4.33Å; K987-Y1048 HydrophobicContact CD-CE2 4.44Å; K987-Y1048 WeakPolarHBondContact CE-OH 3.3Å; K987-Y1048 VanDerWaalsContact NZ-CE2 3.27Å; K987-Y1048 PolarHBondContact NZ-O 3Å; K987-A1050 HydrophobicContact CB-CB 3.62Å; K987-A1050 HydrophobicContact CG-CB 3.92Å
988	R	93.3	Very high	90.6	Very high	27 Å²	27	44.5 Å²	44.5	10%	0.102	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.8	165.8	-173.9	159.3	-69.1	-163.9	-3.4	110.3	D360 G361 L972 F976 D977 Y990	D360-R988 VanDerWaalsContact C-CZ 3.42Å; D360-R988 PolarHBondContact O-NE 3.19Å; G361-R988 VanDerWaalsContact C-NH1 3.3Å; G361-R988 PolarHBondContact O-NH1 3.1Å; L972-R988 VanDerWaalsContact CD1-CZ 3.44Å; F976-R988 WeakPolarHBondContact O-CA 3.3Å; D977-R988 WeakPolarHBondContact OD1-CA 3.39Å; D977-R988 VanDerWaalsContact OD1-CB 3.23Å; D977-R988 WeakPolarHBondContact OD1-CB 3.22Å; D977-R988 WeakPolarHBondContact OD1-CG 3.3Å; D977-R988 IonicContact OD1-CZ 2.79Å; D977-R988 IonicContact OD1-NE 2.75Å; D977-R988 PolarHBondContact OD1-NE 2.84Å; D977-R988 IonicContact OD1-NH2 3.59Å; D977-R988 PolarHBondContact OD1-NH2 2.86Å; D977-R988 IonicContact OD2-CZ 3.04Å; D977-R988 IonicContact OD2-NE 3.7Å; D977-R988 IonicContact OD2-NH2 3.94Å; D977-R988 PolarHBondContact OD2-NH2 3.45Å; R988-Y990 HydrophobicContact CB-CE2 4.33Å; R988-Y990 HydrophobicContact CG-CD1 4.4Å; R988-Y990 HydrophobicContact CG-CD2 4.4Å; R988-Y990 HydrophobicContact CG-CE1 4.04Å; R988-Y990 HydrophobicContact CG-CE2 4.06Å
989	I	93.8	Very high	90.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122	169.5	-54.1	-172	0	0	0	107.6	S975 F976 V978 I994 V1037 A1050 L1052	S975-I989 CarbonylContact C-O 3.51Å; S975-I989 WeakPolarHBondContact CA-O 3.49Å; S975-I989 WeakPolarHBondContact CB-O 3.27Å; F976-I989 HydrophobicContact CE1-CB 4.05Å; F976-I989 HydrophobicContact CE1-CG2 4.09Å; F976-I989 HydrophobicContact CE2-CB 4.09Å; F976-I989 HydrophobicContact CE2-CD1 3.88Å; F976-I989 HydrophobicContact CE2-CG1 4.25Å; F976-I989 HydrophobicContact CZ-CB 3.82Å; F976-I989 HydrophobicContact CZ-CD1 3.94Å; F976-I989 HydrophobicContact CZ-CG1 4.33Å; F976-I989 HydrophobicContact CZ-CG2 3.96Å; F976-I989 PolarHBondContact N-O 2.96Å; F976-I989 PolarHBondContact O-N 2.85Å; V978-I989 HydrophobicContact CG1-CD1 4.39Å; V978-I989 HydrophobicContact CG2-CD1 4.19Å; V978-I989 HydrophobicContact CG2-CG1 4.38Å; I989-I994 HydrophobicContact CG2-CD1 4.1Å; I989-I994 HydrophobicContact CG2-CG1 3.96Å; I989-V1037 HydrophobicContact CD1-CG1 3.83Å; I989-A1050 HydrophobicContact CD1-CB 4.32Å; I989-A1050 HydrophobicContact CG1-CB 4.17Å; I989-L1052 HydrophobicContact CD1-CB 4.17Å; I989-L1052 HydrophobicContact CG2-CB 4.19Å
990	Y	92	Very high	90.3	Very high	82 Å²	82	50.7 Å²	50.7	32%	0.322	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.2	176.8	-61.3	-86	0	0	0	109.9	R988 K992 S993	R988-Y990 HydrophobicContact CB-CE2 4.33Å; R988-Y990 HydrophobicContact CG-CD1 4.4Å; R988-Y990 HydrophobicContact CG-CD2 4.4Å; R988-Y990 HydrophobicContact CG-CE1 4.04Å; R988-Y990 HydrophobicContact CG-CE2 4.06Å; Y990-K992 PolarHBondContact O-N 2.98Å; Y990-S993 PolarHBondContact O-N 3.12Å; Y990-S993 PolarHBondContact O-OG 3.29Å
991	C	90.6	Very high	90.3	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.014	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-61	-36.1	-175.9	-55.9	0	0	0	0	112	K974 S993 I994 L997 Y1000	K974-C991 PolarHBondContact O-N 2.83Å; K974-C991 PolarHBondContact O-SG 3.25Å; C991-S993 PolarHBondContact O-N 2.86Å; C991-I994 PolarHBondContact O-N 3.28Å; C991-L997 HydrophobicContact CB-CD2 4.08Å; C991-L997 WeakPolarHBondContact O-CD2 3.19Å; C991-Y1000 HydrophobicContact CB-CD1 3.38Å; C991-Y1000 HydrophobicContact CB-CD2 3.93Å; C991-Y1000 HydrophobicContact CB-CE1 3.47Å; C991-Y1000 VanDerWaalsContact CB-CE1 3.47Å; C991-Y1000 HydrophobicContact CB-CE2 4.01Å; C991-Y1000 HydrophobicContact CB-CG 3.62Å
992	K	88.8	Confident	90.3	Very high	180 Å²	180	61.6 Å²	61.6	78%	0.783	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-63.7	-16.1	176.5	-67.1	-171.9	174.6	-172.1	0	114.9	Y990	Y990-K992 PolarHBondContact O-N 2.98Å
993	S	85.4	Confident	90.4	Very high	61 Å²	61	59 Å²	59	43%	0.427	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-107	7.4	178.2	60.2	0	0	0	0	113.2	Y990 C991	Y990-S993 PolarHBondContact O-N 3.12Å; Y990-S993 PolarHBondContact O-OG 3.29Å; C991-S993 PolarHBondContact O-N 2.86Å
994	I	88.4	Confident	90.1	Very high	13 Å²	13	65.3 Å²	65.3	7%	0.067	33%	0.332	C	S	.	.			trans	-84.1	117.3	171.2	-58.3	173.5	0	0	0	107.4	F976 I989 C991 L997 L1013 W1015 L1052	F976-I994 HydrophobicContact CE1-CD1 4.36Å; I989-I994 HydrophobicContact CG2-CD1 4.1Å; I989-I994 HydrophobicContact CG2-CG1 3.96Å; C991-I994 PolarHBondContact O-N 3.28Å; I994-L997 HydrophobicContact CB-CB 4.16Å; I994-L997 HydrophobicContact CB-CD2 4.24Å; I994-L997 HydrophobicContact CD1-CD2 4.35Å; I994-L997 HydrophobicContact CG2-CB 4.04Å; I994-L1013 HydrophobicContact CD1-CD1 4.13Å; I994-L1013 HydrophobicContact CD1-CD2 4.48Å; I994-W1015 HydrophobicContact CG2-CE3 4.4Å; I994-W1015 HydrophobicContact CG2-CH2 3.39Å; I994-W1015 HydrophobicContact CG2-CZ2 4.24Å; I994-W1015 HydrophobicContact CG2-CZ3 3.49Å; I994-W1015 VanDerWaalsContact CG2-CZ3 3.49Å; I994-L1052 HydrophobicContact CD1-CB 4.3Å; I994-L1052 HydrophobicContact CD1-CD2 3.86Å; I994-L1052 HydrophobicContact CG1-CB 4.3Å
995	A	85.1	Confident	89.7	Confident	88 Å²	88	67.5 Å²	67.5	73%	0.727	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	140.3	174.5	0	0	0	0	0	110.2	W1015	A995-W1015 WeakPolarHBondContact O-CZ3 3.1Å
996	G	85.4	Confident	89.2	Confident	30 Å²	30	74.7 Å²	74.7	31%	0.309	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	25.1	-177.3	0	0	0	0	0	114.6	W1015 T1016	G996-W1015 CarbonylContact O-C 3.55Å; G996-W1015 VanDerWaalsContact O-CA 3.29Å; G996-W1015 WeakPolarHBondContact O-CA 3.49Å; G996-T1016 VanDerWaalsContact CA-OG1 3.26Å; G996-T1016 WeakPolarHBondContact CA-OG1 3.2Å; G996-T1016 PolarHBondContact O-N 2.74Å; G996-T1016 PolarHBondContact O-OG1 2.72Å; G996-T1016 VanDerWaalsContact O-OG1 3.12Å
997	L	89.3	Confident	88.6	Confident	31 Å²	31	78 Å²	78	16%	0.162	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.6	176.1	-171.9	77.9	0	0	0	110.4	C991 I994 Y1000 L1013 V1014	C991-L997 HydrophobicContact CB-CD2 4.08Å; C991-L997 WeakPolarHBondContact O-CD2 3.19Å; I994-L997 HydrophobicContact CB-CB 4.16Å; I994-L997 HydrophobicContact CB-CD2 4.24Å; I994-L997 HydrophobicContact CD1-CD2 4.35Å; I994-L997 HydrophobicContact CG2-CB 4.04Å; L997-Y1000 HydrophobicContact CD2-CD1 3.95Å; L997-L1013 HydrophobicContact CD1-CB 3.7Å; L997-L1013 HydrophobicContact CD1-CD2 4Å; L997-L1013 HydrophobicContact CD1-CG 4.31Å; L997-L1013 HydrophobicContact CD2-CD2 4.19Å; L997-V1014 WeakPolarHBondContact CD1-O 3.43Å
998	D	88.4	Confident	88.2	Confident	106 Å²	106	77 Å²	77	57%	0.567	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	-46.3	175.7	-85.3	-39.8	0	0	0	111.6	V1014 T1016	D998-V1014 PolarHBondContact N-O 2.82Å; D998-T1016 WeakPolarHBondContact OD1-CG2 3.44Å; D998-T1016 WeakPolarHBondContact OD2-CA 3.36Å
999	S	91.5	Very high	87.9	Confident	61 Å²	61	76.6 Å²	76.6	43%	0.427	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	166.2	-178.5	72.3	0	0	0	0	112.7	V1014	S999-V1014 PolarHBondContact N-O 3.2Å; S999-V1014 PolarHBondContact O-N 3.06Å
1000	Y	93.5	Very high	87.9	Confident	71 Å²	71	78.5 Å²	78.5	28%	0.278	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.6	172.8	60	-86.4	0	0	0	111.1	K974 C991 L997 L1011 L1012	K974-Y1000 HydrophobicContact CB-CE2 4.3Å; K974-Y1000 HydrophobicContact CG-CE2 4.12Å; C991-Y1000 HydrophobicContact CB-CD1 3.38Å; C991-Y1000 HydrophobicContact CB-CD2 3.93Å; C991-Y1000 HydrophobicContact CB-CE1 3.47Å; C991-Y1000 VanDerWaalsContact CB-CE1 3.47Å; C991-Y1000 HydrophobicContact CB-CE2 4.01Å; C991-Y1000 HydrophobicContact CB-CG 3.62Å; L997-Y1000 HydrophobicContact CD2-CD1 3.95Å; Y1000-L1011 HydrophobicContact CD2-CD1 4.03Å; Y1000-L1012 CarbonylContact C-O 3.59Å; Y1000-L1012 WeakPolarHBondContact CA-O 3.45Å
1001	R	93.6	Very high	88	Confident	170 Å²	170	74.6 Å²	74.6	64%	0.642	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	117.4	178.1	-174.1	-177.4	-62	161.2	5.4	110.8	L1012	R1001-L1012 HydrophobicContact CB-CB 4.4Å; R1001-L1012 PolarHBondContact N-O 2.87Å; R1001-L1012 PolarHBondContact O-N 2.99Å
1002	F	92.9	Very high	88.2	Confident	68 Å²	68	75.4 Å²	75.4	30%	0.298	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	137.9	168.1	179	-100	0	0	0	111	V971 L972 D973 K1004 P1009 Q1010 L1011	V971-F1002 HydrophobicContact CG1-CD2 4.43Å; V971-F1002 HydrophobicContact CG1-CE2 4.32Å; L972-F1002 VanDerWaalsContact O-CD2 3.23Å; L972-F1002 WeakPolarHBondContact O-CD2 3.41Å; D973-F1002 HydrophobicContact CB-CB 4.33Å; D973-F1002 HydrophobicContact CB-CD1 4.4Å; D973-F1002 HydrophobicContact CB-CG 4.22Å; F1002-K1004 HydrophobicContact CE1-CD 4.47Å; F1002-K1004 HydrophobicContact CE1-CG 3.93Å; F1002-K1004 HydrophobicContact CZ-CD 4.46Å; F1002-K1004 HydrophobicContact CZ-CG 3.95Å; F1002-P1009 HydrophobicContact CE2-CB 3.79Å; F1002-P1009 HydrophobicContact CZ-CB 3.97Å; F1002-Q1010 WeakPolarHBondContact CA-O 3.48Å; F1002-Q1010 WeakPolarHBondContact CD2-O 3.44Å; F1002-L1011 HydrophobicContact CB-CD1 4.44Å
1003	Q	91.4	Very high	88.4	Confident	64 Å²	64	66.8 Å²	66.8	30%	0.299	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.7	177	64.9	-173.9	20.4	0	0	111.1	V1005 Q1010	Q1003-V1005 HydrophobicContact CG-CG2 4.12Å; Q1003-Q1010 HydrophobicContact CG-CB 3.87Å; Q1003-Q1010 PolarHBondContact N-O 3.25Å; Q1003-Q1010 PolarHBondContact O-N 2.83Å; Q1003-Q1010 VanDerWaalsContact O-O 3.07Å
1004	K	85.9	Confident	88.7	Confident	144 Å²	144	64.9 Å²	64.9	63%	0.626	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	90.2	172.7	-69.5	-166.1	176.1	-169.4	0	110.3	F1002 V1008	F1002-K1004 HydrophobicContact CE1-CD 4.47Å; F1002-K1004 HydrophobicContact CE1-CG 3.93Å; F1002-K1004 HydrophobicContact CZ-CD 4.46Å; F1002-K1004 HydrophobicContact CZ-CG 3.95Å; K1004-V1008 WeakPolarHBondContact CA-O 3.49Å
1005	V	81.1	Confident	88.8	Confident	63 Å²	63	64.4 Å²	64.4	38%	0.382	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.3	175.9	178.8	0	0	0	0	107.8	Q1003 K1007 V1008 Q1010	Q1003-V1005 HydrophobicContact CG-CG2 4.12Å; V1005-K1007 PolarHBondContact O-N 2.85Å; V1005-V1008 PolarHBondContact N-O 3.18Å; V1005-V1008 WeakPolarHBondContact O-CB 3.1Å; V1005-V1008 PolarHBondContact O-N 3.15Å; V1005-Q1010 VanDerWaalsContact CG2-OE1 3.27Å
1006	E	78.6	Confident	88.8	Confident	176 Å²	176	62.3 Å²	62.3	82%	0.822	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	30.9	-177.6	-58.2	-171	160.6	0	0	114.3	V1008	E1006-V1008 PolarHBondContact O-N 3.21Å
1007	K	79.6	Confident	88.4	Confident	156 Å²	156	63 Å²	63	68%	0.678	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-17.5	-172.3	-50.3	168.2	-175.1	170.6	0	115.6	V1005	V1005-K1007 PolarHBondContact O-N 2.85Å
1008	V	82.8	Confident	87.4	Confident	22 Å²	22	66.7 Å²	66.7	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.5	175.7	-178.7	0	0	0	0	110	Q821 L822 K1004 V1005 E1006	Q821-V1008 HydrophobicContact CB-CG2 4.4Å; Q821-V1008 WeakPolarHBondContact O-CG2 3.01Å; L822-V1008 HydrophobicContact CD2-CG1 3.78Å; L822-V1008 HydrophobicContact CD2-CG2 4.26Å; K1004-V1008 WeakPolarHBondContact CA-O 3.49Å; V1005-V1008 PolarHBondContact N-O 3.18Å; V1005-V1008 WeakPolarHBondContact O-CB 3.1Å; V1005-V1008 PolarHBondContact O-N 3.15Å; E1006-V1008 PolarHBondContact O-N 3.21Å
1009	P	87.9	Confident	86.5	Confident	20 Å²	20	67.1 Å²	67.1	13%	0.13	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130.8	175.8	30	-34.1	0	0	0	110.9	V971 F1002 I1031	V971-P1009 HydrophobicContact CB-CB 4.17Å; V971-P1009 HydrophobicContact CB-CG 4.38Å; V971-P1009 HydrophobicContact CG1-CB 4.48Å; F1002-P1009 HydrophobicContact CE2-CB 3.79Å; F1002-P1009 HydrophobicContact CZ-CB 3.97Å; P1009-I1031 HydrophobicContact CG-CD1 4.11Å
1010	Q	93.4	Very high	85	Confident	40 Å²	40	74.3 Å²	74.3	19%	0.187	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.4	175.8	-67	179.7	-8.6	0	0	110.1	F1002 Q1003 V1005 V1028 I1029	F1002-Q1010 WeakPolarHBondContact CA-O 3.48Å; F1002-Q1010 WeakPolarHBondContact CD2-O 3.44Å; Q1003-Q1010 HydrophobicContact CG-CB 3.87Å; Q1003-Q1010 PolarHBondContact N-O 3.25Å; Q1003-Q1010 PolarHBondContact O-N 2.83Å; Q1003-Q1010 VanDerWaalsContact O-O 3.07Å; V1005-Q1010 VanDerWaalsContact CG2-OE1 3.27Å; Q1010-V1028 HydrophobicContact CB-CG1 4.36Å; Q1010-V1028 HydrophobicContact CG-CG1 4.42Å; Q1010-I1029 CarbonylContact C-O 3.45Å; Q1010-I1029 WeakPolarHBondContact CA-O 3.21Å
1011	L	94.4	Very high	83.4	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	108.7	179.1	176.1	73.6	0	0	0	108.2	V971 F976 Y1000 F1002 L1013 I1029	V971-L1011 HydrophobicContact CG1-CB 3.66Å; F976-L1011 HydrophobicContact CD1-CD2 3.66Å; F976-L1011 HydrophobicContact CE1-CD2 4.29Å; Y1000-L1011 HydrophobicContact CD2-CD1 4.03Å; F1002-L1011 HydrophobicContact CB-CD1 4.44Å; L1011-L1013 HydrophobicContact CD2-CD2 4Å; L1011-L1013 HydrophobicContact CG-CD2 3.97Å; L1011-I1029 HydrophobicContact CB-CB 4.29Å; L1011-I1029 PolarHBondContact N-O 2.8Å; L1011-I1029 PolarHBondContact O-N 2.95Å
1012	L	94.2	Very high	82	Confident	19 Å²	19	75 Å²	75	10%	0.099	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.9	171.6	179.9	66.6	0	0	0	108.6	Y1000 R1001 E1026 V1028	Y1000-L1012 CarbonylContact C-O 3.59Å; Y1000-L1012 WeakPolarHBondContact CA-O 3.45Å; R1001-L1012 HydrophobicContact CB-CB 4.4Å; R1001-L1012 PolarHBondContact N-O 2.87Å; R1001-L1012 PolarHBondContact O-N 2.99Å; L1012-E1026 HydrophobicContact CD1-CB 4.07Å; L1012-E1026 HydrophobicContact CD1-CG 4.41Å; L1012-V1028 HydrophobicContact CD1-CG2 3.86Å
1013	L	94.2	Very high	80.9	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.5	173.2	-61	-176.5	0	0	0	108.9	I994 L997 L1011 E1026 Q1027 I1029 L1052	I994-L1013 HydrophobicContact CD1-CD1 4.13Å; I994-L1013 HydrophobicContact CD1-CD2 4.48Å; L997-L1013 HydrophobicContact CD1-CB 3.7Å; L997-L1013 HydrophobicContact CD1-CD2 4Å; L997-L1013 HydrophobicContact CD1-CG 4.31Å; L997-L1013 HydrophobicContact CD2-CD2 4.19Å; L1011-L1013 HydrophobicContact CD2-CD2 4Å; L1011-L1013 HydrophobicContact CG-CD2 3.97Å; L1013-E1026 WeakPolarHBondContact O-CA 3.4Å; L1013-Q1027 HydrophobicContact CB-CB 4.39Å; L1013-Q1027 PolarHBondContact N-O 3.39Å; L1013-Q1027 PolarHBondContact O-N 3.28Å; L1013-I1029 HydrophobicContact CD1-CD1 4.32Å; L1013-I1029 HydrophobicContact CD1-CG1 3.67Å; L1013-I1029 HydrophobicContact CG-CG1 4.05Å; L1013-L1052 HydrophobicContact CD1-CD2 3.48Å; L1013-L1052 VanDerWaalsContact CD1-CD2 3.48Å
1014	V	91.9	Very high	80.1	Confident	20 Å²	20	76.8 Å²	76.8	12%	0.121	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	111.6	176.6	-173.4	0	0	0	0	108.1	L997 D998 S999 P1024 E1026	L997-V1014 WeakPolarHBondContact CD1-O 3.43Å; D998-V1014 PolarHBondContact N-O 2.82Å; S999-V1014 PolarHBondContact N-O 3.2Å; S999-V1014 PolarHBondContact O-N 3.06Å; V1014-P1024 HydrophobicContact CG1-CB 3.9Å; V1014-E1026 HydrophobicContact CG2-CG 4.42Å
1015	W	90.4	Very high	80.1	Confident	3 Å²	3	71.5 Å²	71.5	1%	0.011	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.3	-176.6	-63	88.6	0	0	0	111.8	I994 A995 G996 V1025 L1052 K1053 R1054 P1055	I994-W1015 HydrophobicContact CG2-CE3 4.4Å; I994-W1015 HydrophobicContact CG2-CH2 3.39Å; I994-W1015 HydrophobicContact CG2-CZ2 4.24Å; I994-W1015 HydrophobicContact CG2-CZ3 3.49Å; I994-W1015 VanDerWaalsContact CG2-CZ3 3.49Å; A995-W1015 WeakPolarHBondContact O-CZ3 3.1Å; G996-W1015 CarbonylContact O-C 3.55Å; G996-W1015 VanDerWaalsContact O-CA 3.29Å; G996-W1015 WeakPolarHBondContact O-CA 3.49Å; W1015-V1025 HydrophobicContact CB-CB 4.27Å; W1015-V1025 PolarHBondContact N-O 2.92Å; W1015-L1052 HydrophobicContact CH2-CB 4.49Å; W1015-L1052 HydrophobicContact CH2-CD2 3.88Å; W1015-L1052 HydrophobicContact CH2-CG 3.98Å; W1015-L1052 HydrophobicContact CZ2-CD2 3.51Å; W1015-L1052 HydrophobicContact CZ2-CG 3.95Å; W1015-K1053 WeakPolarHBondContact CH2-O 3.36Å; W1015-R1054 HydrophobicContact CD2-CB 4.37Å; W1015-R1054 HydrophobicContact CD2-CG 4.07Å; W1015-R1054 HydrophobicContact CE3-CB 3.91Å; W1015-R1054 HydrophobicContact CE3-CG 3.96Å; W1015-R1054 HydrophobicContact CG-CG 4.4Å; W1015-R1054 VanDerWaalsContact CH2-CA 3.47Å; W1015-R1054 HydrophobicContact CH2-CB 4.29Å; W1015-R1054 HydrophobicContact CZ3-CB 3.88Å; W1015-R1054 HydrophobicContact CZ3-CG 4.44Å; W1015-P1055 VanDerWaalsContact CE2-CD 3.49Å
1016	T	84.1	Confident	80.5	Confident	44 Å²	44	74.8 Å²	74.8	27%	0.27	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-53.1	137.6	174.8	50.7	0	0	0	0	110.6	G996 D998 R1054	G996-T1016 VanDerWaalsContact CA-OG1 3.26Å; G996-T1016 WeakPolarHBondContact CA-OG1 3.2Å; G996-T1016 PolarHBondContact O-N 2.74Å; G996-T1016 PolarHBondContact O-OG1 2.72Å; G996-T1016 VanDerWaalsContact O-OG1 3.12Å; D998-T1016 WeakPolarHBondContact OD1-CG2 3.44Å; D998-T1016 WeakPolarHBondContact OD2-CA 3.36Å; T1016-R1054 VanDerWaalsContact O-CZ 3.23Å; T1016-R1054 PolarHBondContact O-NH1 3.24Å; T1016-R1054 PolarHBondContact O-NH2 2.98Å
1017	S	76.9	Confident	81.2	Confident	44 Å²	44	68 Å²	68	31%	0.308	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-63.3	142.5	169.6	-160.1	0	0	0	0	110.8	D1019 S1022	S1017-D1019 WeakPolarHBondContact CB-O 3.43Å; S1017-D1019 PolarHBondContact OG-O 3.26Å; S1017-S1022 PolarHBondContact OG-O 2.83Å; S1017-S1022 PolarHBondContact OG-OG 3Å
1018	D	68.4	Low	81.9	Confident	110 Å²	110	64.1 Å²	64.1	59%	0.588	35%	0.35	S	S	*	.	S	Bend	trans	-83.1	-26	173.2	-63.9	-47.5	0	0	0	111.4	R1054	D1018-R1054 IonicContact OD1-CZ 3.04Å; D1018-R1054 IonicContact OD1-NH1 2.73Å; D1018-R1054 PolarHBondContact OD1-NH1 2.6Å; D1018-R1054 IonicContact OD2-CZ 3.37Å; D1018-R1054 IonicContact OD2-NE 2.7Å; D1018-R1054 PolarHBondContact OD2-NE 3.13Å; D1018-R1054 IonicContact OD2-NH1 2.79Å; D1018-R1054 PolarHBondContact OD2-NH1 2.84Å; D1018-R1054 IonicContact OD2-NH2 3.72Å
1019	D	70.2	Confident	82.6	Confident	114 Å²	114	63.1 Å²	63.1	61%	0.61	34%	0.344	S	S	*	.	S	Bend	trans	-128.7	151.1	177.4	-66.5	-64.5	0	0	0	111.2	S1017 E1021 S1022	S1017-D1019 WeakPolarHBondContact CB-O 3.43Å; S1017-D1019 PolarHBondContact OG-O 3.26Å; D1019-E1021 PolarHBondContact O-N 3.37Å; D1019-E1021 VanDerWaalsContact O-N 3.13Å; D1019-S1022 PolarHBondContact O-N 3.16Å; D1019-S1022 PolarHBondContact O-OG 3.34Å
1020	E	60.5	Low	82.9	Confident	212 Å²	212	63.7 Å²	63.7	99%	0.991	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.4	177.9	-66.5	-167.5	150.2	0	0	114.1
1021	E	59.6	Low	82.8	Confident	200 Å²	200	62.3 Å²	62.3	94%	0.935	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-11.4	179.6	-64.7	-165.1	146	0	0	114.8	D1019	D1019-E1021 PolarHBondContact O-N 3.37Å; D1019-E1021 VanDerWaalsContact O-N 3.13Å
1022	S	64.1	Low	82.8	Confident	57 Å²	57	62.9 Å²	62.9	40%	0.399	34%	0.344	S	S	.	.	S	Bend	trans	-93.3	148.1	-179	45.6	0	0	0	0	113.4	S1017 D1019	S1017-S1022 PolarHBondContact OG-O 2.83Å; S1017-S1022 PolarHBondContact OG-OG 3Å; D1019-S1022 PolarHBondContact O-N 3.16Å; D1019-S1022 PolarHBondContact O-OG 3.34Å
1023	S	68.8	Low	82.8	Confident	97 Å²	97	63 Å²	63	68%	0.678	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-75.1	142.8	176.3	54.5	0	0	0	0	111.1	V1025	S1023-V1025 PolarHBondContact O-N 3.32Å
1024	P	75.4	Confident	82.9	Confident	71 Å²	71	65.7 Å²	65.7	46%	0.461	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-58.7	138.7	176.9	26.3	-35.1	0	0	0	110.8	V1014	V1014-P1024 HydrophobicContact CG1-CB 3.9Å
1025	V	86.4	Confident	83.1	Confident	34 Å²	34	64.9 Å²	64.9	21%	0.206	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.4	-176.8	178.1	0	0	0	0	108.9	W1015 S1023 P1055	W1015-V1025 HydrophobicContact CB-CB 4.27Å; W1015-V1025 PolarHBondContact N-O 2.92Å; S1023-V1025 PolarHBondContact O-N 3.32Å; V1025-P1055 HydrophobicContact CG1-CG 4.18Å
1026	E	89.7	Confident	83.3	Confident	132 Å²	132	68.7 Å²	68.7	62%	0.617	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.9	172.7	-70.6	-161.4	168.3	0	0	111.1	L1012 L1013 V1014	L1012-E1026 HydrophobicContact CD1-CB 4.07Å; L1012-E1026 HydrophobicContact CD1-CG 4.41Å; L1013-E1026 WeakPolarHBondContact O-CA 3.4Å; V1014-E1026 HydrophobicContact CG2-CG 4.42Å
1027	Q	93.4	Very high	83.8	Confident	34 Å²	34	66.7 Å²	66.7	16%	0.159	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.4	177.1	-174.2	-174.7	24.6	0	0	110.1	L1013 I1029 P1055	L1013-Q1027 HydrophobicContact CB-CB 4.39Å; L1013-Q1027 PolarHBondContact N-O 3.39Å; L1013-Q1027 PolarHBondContact O-N 3.28Å; Q1027-I1029 HydrophobicContact CG-CD1 4.07Å; Q1027-P1055 HydrophobicContact CB-CG 4.47Å; Q1027-P1055 HydrophobicContact CG-CG 4.44Å
1028	V	94.2	Very high	84.7	Confident	73 Å²	73	67 Å²	67	44%	0.442	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.5	175.4	-179.7	0	0	0	0	110	Q1010 L1012	Q1010-V1028 HydrophobicContact CB-CG1 4.36Å; Q1010-V1028 HydrophobicContact CG-CG1 4.42Å; L1012-V1028 HydrophobicContact CD1-CG2 3.86Å
1029	I	95.6	Very high	86	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.1	173	-57.5	-56.8	0	0	0	109.2	V968 V971 F976 Q1010 L1011 L1013 Q1027 V1035	V968-I1029 HydrophobicContact CG1-CG2 4.29Å; V968-I1029 HydrophobicContact CG2-CG2 3.95Å; V971-I1029 HydrophobicContact CG2-CG2 4.32Å; F976-I1029 HydrophobicContact CB-CG2 4.34Å; F976-I1029 HydrophobicContact CD1-CG2 4.12Å; F976-I1029 HydrophobicContact CD2-CG2 4.01Å; F976-I1029 HydrophobicContact CE1-CG2 4.43Å; F976-I1029 HydrophobicContact CE2-CG2 4.32Å; F976-I1029 HydrophobicContact CG-CG2 3.9Å; Q1010-I1029 CarbonylContact C-O 3.45Å; Q1010-I1029 WeakPolarHBondContact CA-O 3.21Å; L1011-I1029 HydrophobicContact CB-CB 4.29Å; L1011-I1029 PolarHBondContact N-O 2.8Å; L1011-I1029 PolarHBondContact O-N 2.95Å; L1013-I1029 HydrophobicContact CD1-CD1 4.32Å; L1013-I1029 HydrophobicContact CD1-CG1 3.67Å; L1013-I1029 HydrophobicContact CG-CG1 4.05Å; Q1027-I1029 HydrophobicContact CG-CD1 4.07Å; I1029-V1035 HydrophobicContact CD1-CG1 3.73Å
1030	S	94.3	Very high	87.1	Confident	32 Å²	32	61.2 Å²	61.2	22%	0.224	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	172.2	172.4	69.4	0	0	0	0	110.7	V968 S1033	V968-S1030 VanDerWaalsContact CB-O 3.25Å; V968-S1030 WeakPolarHBondContact CB-O 3.26Å; V968-S1030 VanDerWaalsContact CG1-O 3.25Å; V968-S1030 WeakPolarHBondContact CG1-O 3.5Å; S1030-S1033 PolarHBondContact N-OG 2.67Å; S1030-S1033 VanDerWaalsContact O-CB 3.32Å; S1030-S1033 WeakPolarHBondContact O-CB 3.39Å; S1030-S1033 PolarHBondContact O-N 2.97Å; S1030-S1033 VanDerWaalsContact O-N 3.11Å; S1030-S1033 PolarHBondContact O-OG 3.2Å; S1030-S1033 VanDerWaalsContact O-OG 3.11Å; S1030-S1033 PolarHBondContact OG-OG 3.2Å
1031	I	93	Very high	88.6	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.056	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	142.2	165.8	-57.2	175.1	0	0	0	108.8	L818 L822 M858 V971 P1009 S1033	L818-I1031 HydrophobicContact CD1-CD1 3.92Å; L822-I1031 HydrophobicContact CD1-CB 4.19Å; L822-I1031 HydrophobicContact CD1-CD1 4.2Å; L822-I1031 HydrophobicContact CD1-CG2 3.79Å; L822-I1031 HydrophobicContact CD2-CB 4.16Å; M858-I1031 HydrophobicContact CE-CG2 3.98Å; V971-I1031 HydrophobicContact CG2-CG1 4.32Å; P1009-I1031 HydrophobicContact CG-CD1 4.11Å; I1031-S1033 PolarHBondContact O-N 3.1Å
1032	F	93.5	Very high	90	Very high	12 Å²	12	46.3 Å²	46.3	5%	0.053	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	4.5	-170.4	-48.2	-57.1	0	0	0	117	L822 L824 Y847 R851 V854 L855 M858 M967 V968 V1034	L822-F1032 HydrophobicContact CB-CE2 4.28Å; L822-F1032 HydrophobicContact CD1-CD2 4.35Å; L822-F1032 HydrophobicContact CD1-CE2 3.64Å; L822-F1032 HydrophobicContact CD1-CZ 4.25Å; L822-F1032 HydrophobicContact CG-CE2 4.47Å; L824-F1032 HydrophobicContact CD1-CE2 3.54Å; L824-F1032 HydrophobicContact CD1-CZ 3.76Å; Y847-F1032 VanDerWaalsContact CE2-O 3.29Å; Y847-F1032 WeakPolarHBondContact CE2-O 3.23Å; R851-F1032 HydrophobicContact CG-CD1 4.07Å; R851-F1032 HydrophobicContact CG-CE1 4.17Å; R851-F1032 HydrophobicContact CG-CG 4.39Å; V854-F1032 HydrophobicContact CB-CD1 4.4Å; V854-F1032 HydrophobicContact CB-CE1 4.18Å; V854-F1032 HydrophobicContact CG1-CD1 4.1Å; V854-F1032 HydrophobicContact CG1-CE1 3.72Å; L855-F1032 HydrophobicContact CD2-CE1 4.26Å; L855-F1032 HydrophobicContact CD2-CZ 3.78Å; L855-F1032 HydrophobicContact CG-CE1 4.13Å; L855-F1032 HydrophobicContact CG-CZ 4.06Å; M858-F1032 HydrophobicContact CE-CE1 4.31Å; M858-F1032 HydrophobicContact CE-CZ 4.46Å; M858-F1032 HydrophobicContact SD-CE1 4.36Å; M858-F1032 HydrophobicContact SD-CZ 4.28Å; M967-F1032 WeakPolarHBondContact CE-O 3.28Å; M967-F1032 HydrophobicContact SD-CB 4.11Å; M967-F1032 HydrophobicContact SD-CD1 3.84Å; M967-F1032 HydrophobicContact SD-CG 4.45Å; V968-F1032 PolarHBondContact O-N 3.49Å; F1032-V1034 PolarHBondContact O-N 2.89Å
1033	S	95.1	Very high	90.9	Very high	23 Å²	23	53.3 Å²	53.3	16%	0.161	29%	0.292	C	S	.	.			trans	-57.1	132.8	166.3	-66.7	0	0	0	0	110.1	M967 V968 S1030 I1031	M967-S1033 WeakPolarHBondContact CA-O 3.38Å; V968-S1033 WeakPolarHBondContact CG2-O 3.47Å; V968-S1033 PolarHBondContact N-O 2.82Å; S1030-S1033 PolarHBondContact N-OG 2.67Å; S1030-S1033 VanDerWaalsContact O-CB 3.32Å; S1030-S1033 WeakPolarHBondContact O-CB 3.39Å; S1030-S1033 PolarHBondContact O-N 2.97Å; S1030-S1033 VanDerWaalsContact O-N 3.11Å; S1030-S1033 PolarHBondContact O-OG 3.2Å; S1030-S1033 VanDerWaalsContact O-OG 3.11Å; S1030-S1033 PolarHBondContact OG-OG 3.2Å; I1031-S1033 PolarHBondContact O-N 3.1Å
1034	V	95.6	Very high	91.7	Very high	56 Å²	56	52.4 Å²	52.4	34%	0.339	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.2	167.6	177.7	0	0	0	0	108.1	Y847 Y850 K965 A966 M967 F1032	Y847-V1034 HydrophobicContact CD2-CG2 3.76Å; Y847-V1034 HydrophobicContact CE2-CG2 4.33Å; Y850-V1034 HydrophobicContact CD2-CG2 4.07Å; Y850-V1034 HydrophobicContact CE2-CG1 4.5Å; K965-V1034 HydrophobicContact CB-CG1 4.36Å; K965-V1034 HydrophobicContact CD-CG1 4.42Å; K965-V1034 HydrophobicContact CG-CG1 4.44Å; A966-V1034 WeakPolarHBondContact O-CA 3.34Å; M967-V1034 HydrophobicContact CE-CG2 3.55Å; F1032-V1034 PolarHBondContact O-N 2.89Å
1035	V	95.3	Very high	92.1	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.4	-178.7	-69.3	0	0	0	0	110.2	K965 A966 V968 V978 I1029 V1037 L1052	K965-V1035 CarbonylContact C-O 3.59Å; A966-V1035 HydrophobicContact CB-CG2 4.38Å; A966-V1035 PolarHBondContact N-O 2.75Å; A966-V1035 PolarHBondContact O-N 3.05Å; V968-V1035 HydrophobicContact CG2-CG2 4.34Å; V978-V1035 HydrophobicContact CG1-CG2 4.11Å; I1029-V1035 HydrophobicContact CD1-CG1 3.73Å; V1035-V1037 HydrophobicContact CG2-CG1 4.09Å; V1035-L1052 HydrophobicContact CB-CD1 3.63Å; V1035-L1052 HydrophobicContact CG1-CD1 3.93Å; V1035-L1052 HydrophobicContact CG2-CD1 4.08Å
1036	D	95.4	Very high	92	Very high	83 Å²	83	51.8 Å²	51.8	44%	0.444	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.2	172.2	-69.1	-72.2	0	0	0	110.7	K965 K1053	K965-D1036 VanDerWaalsContact CG-OD1 3.3Å; K965-D1036 WeakPolarHBondContact CG-OD1 3.35Å; D1036-K1053 HydrophobicContact CB-CB 4.34Å; D1036-K1053 HydrophobicContact CB-CD 4.26Å; D1036-K1053 PolarHBondContact O-N 3.31Å
1037	V	95.5	Very high	91.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.2	-178.5	-53.6	0	0	0	0	111.4	S964 A966 V980 I989 V1035 L1051	S964-V1037 PolarHBondContact N-O 3.34Å; S964-V1037 VanDerWaalsContact N-O 3.07Å; S964-V1037 WeakPolarHBondContact O-CG2 3.38Å; S964-V1037 PolarHBondContact O-N 3.18Å; S964-V1037 VanDerWaalsContact O-O 3.11Å; A966-V1037 HydrophobicContact CB-CG1 3.93Å; A966-V1037 HydrophobicContact CB-CG2 3.81Å; V980-V1037 HydrophobicContact CG1-CG2 3.92Å; V980-V1037 HydrophobicContact CG2-CG2 4.09Å; I989-V1037 HydrophobicContact CD1-CG1 3.83Å; V1035-V1037 HydrophobicContact CG2-CG1 4.09Å; V1037-L1051 CarbonylContact C-O 3.48Å; V1037-L1051 VanDerWaalsContact CA-O 3.27Å; V1037-L1051 WeakPolarHBondContact CA-O 3.39Å
1038	Q	94.9	Very high	91.9	Very high	52 Å²	52	50.3 Å²	50.3	24%	0.243	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120	171.2	-168.1	179.2	88.3	0	0	108.8	P961 L962 E963 L1051	P961-Q1038 VanDerWaalsContact CB-CD 3.41Å; P961-Q1038 HydrophobicContact CB-CG 3.59Å; L962-Q1038 WeakPolarHBondContact O-CA 3.19Å; E963-Q1038 HydrophobicContact CG-CG 4.39Å; E963-Q1038 PolarHBondContact OE1-NE2 3.28Å; Q1038-L1051 PolarHBondContact N-O 2.96Å; Q1038-L1051 PolarHBondContact O-N 2.69Å
1039	L	95.1	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.5	170.8	-65.1	179.5	0	0	0	109	F952 V956 P961 L962 V980 Y983 V985 K987 Y1048 S1049 A1050	F952-L1039 HydrophobicContact CE1-CD1 3.82Å; F952-L1039 HydrophobicContact CZ-CD1 3.64Å; V956-L1039 HydrophobicContact CG1-CB 4.49Å; P961-L1039 CarbonylContact C-O 3.52Å; P961-L1039 VanDerWaalsContact CA-O 3.27Å; P961-L1039 WeakPolarHBondContact CA-O 3.47Å; L962-L1039 HydrophobicContact CB-CB 4.31Å; L962-L1039 PolarHBondContact N-O 3.06Å; L962-L1039 PolarHBondContact O-N 3.16Å; V980-L1039 HydrophobicContact CG1-CD1 4.21Å; V980-L1039 HydrophobicContact CG1-CG 4.43Å; V980-L1039 HydrophobicContact CG2-CD2 4.32Å; Y983-L1039 HydrophobicContact CD2-CD1 3.87Å; Y983-L1039 HydrophobicContact CE2-CD1 4.35Å; V985-L1039 HydrophobicContact CG2-CD1 4.18Å; K987-L1039 HydrophobicContact CG-CD2 4.33Å; L1039-Y1048 HydrophobicContact CB-CD2 4.42Å; L1039-Y1048 HydrophobicContact CD1-CE2 4.27Å; L1039-Y1048 HydrophobicContact CD2-CD2 4.15Å; L1039-Y1048 HydrophobicContact CD2-CE2 4.13Å; L1039-S1049 WeakPolarHBondContact CA-O 3.28Å; L1039-A1050 HydrophobicContact CD2-CB 3.85Å
1040	K	93.3	Very high	91.7	Very high	102 Å²	102	48.7 Å²	48.7	44%	0.443	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.2	-176.9	-173.7	-178.4	176	-176.2	0	110.3	Y1048 S1049 L1051	K1040-Y1048 CarbonylContact O-C 3.53Å; K1040-Y1048 WeakPolarHBondContact O-CA 3.22Å; K1040-Y1048 VanDerWaalsContact O-CB 3.28Å; K1040-Y1048 WeakPolarHBondContact O-CB 3.45Å; K1040-S1049 PolarHBondContact N-O 3.08Å; K1040-S1049 PolarHBondContact O-N 3.17Å; K1040-L1051 HydrophobicContact CB-CD1 4.34Å; K1040-L1051 HydrophobicContact CD-CD1 4.05Å
1041	A	92.9	Very high	91.6	Very high	34 Å²	34	49.6 Å²	49.6	28%	0.281	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139	173.3	0	0	0	0	0	111.2	V956 K957	V956-A1041 HydrophobicContact CG1-CB 4.41Å; K957-A1041 HydrophobicContact CB-CB 4.08Å
1042	D	88.5	Confident	91.6	Very high	65 Å²	65	49.6 Å²	49.6	35%	0.348	26%	0.262	S	S	.	.			trans	-90.3	171.6	177.6	-52.7	-38.8	0	0	0	110.3	V1044 K1047 Y1048 S1049	D1042-V1044 PolarHBondContact O-N 2.63Å; D1042-K1047 HydrophobicContact CB-CB 4.06Å; D1042-K1047 PolarHBondContact N-O 3.19Å; D1042-K1047 VanDerWaalsContact OD2-C 3.28Å; D1042-K1047 WeakPolarHBondContact OD2-CB 3.36Å; D1042-Y1048 WeakPolarHBondContact OD2-CA 3.23Å; D1042-Y1048 PolarHBondContact OD2-N 2.63Å; D1042-Y1048 VanDerWaalsContact OD2-N 3.1Å; D1042-S1049 VanDerWaalsContact OD1-CB 3.26Å; D1042-S1049 WeakPolarHBondContact OD1-CB 3.42Å; D1042-S1049 PolarHBondContact OD1-N 3.33Å; D1042-S1049 PolarHBondContact OD1-OG 3.3Å; D1042-S1049 PolarHBondContact OD2-N 3.04Å
1043	E	84.3	Confident	91.5	Very high	203 Å²	203	52.4 Å²	52.4	95%	0.949	27%	0.274	S	S	*	.	S	Bend	trans	-67.4	-20.4	176.4	-62.3	-171.9	165.6	0	0	113.7
1044	V	84.4	Confident	91.1	Very high	78 Å²	78	54.2 Å²	54.2	47%	0.473	28%	0.277	S	S	.	.	S	Bend	trans	-85	128.3	177.5	-179.4	0	0	0	0	108.9	D1042 L1046 K1047	D1042-V1044 PolarHBondContact O-N 2.63Å; V1044-L1046 PolarHBondContact O-N 3.36Å; V1044-K1047 HydrophobicContact CB-CB 4.2Å; V1044-K1047 HydrophobicContact CB-CD 4.01Å; V1044-K1047 HydrophobicContact CB-CG 4.14Å; V1044-K1047 HydrophobicContact CG1-CD 3.8Å; V1044-K1047 HydrophobicContact CG1-CG 3.95Å; V1044-K1047 PolarHBondContact O-N 2.69Å; V1044-K1047 VanDerWaalsContact O-N 3.11Å
1045	P	83.2	Confident	90.4	Very high	50 Å²	50	53.2 Å²	53.2	33%	0.325	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	139	179.3	-30	36	0	0	0	113.6	A520 K1047	A520-P1045 HydrophobicContact CB-CB 4Å; A520-P1045 HydrophobicContact CB-CG 3.93Å; P1045-K1047 PolarHBondContact O-N 3.38Å
1046	L	85.1	Confident	89.2	Confident	42 Å²	42	61.2 Å²	61.2	22%	0.22	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	-10.3	-176.3	-52.3	-179.9	0	0	0	117.1	E526 L950 V954 V1044	E526-L1046 HydrophobicContact CB-CD1 4.41Å; E526-L1046 VanDerWaalsContact CD-CD1 3.49Å; E526-L1046 HydrophobicContact CG-CD1 3.85Å; E526-L1046 WeakPolarHBondContact OE1-CD1 3.14Å; L950-L1046 HydrophobicContact CD1-CD1 3.45Å; L950-L1046 VanDerWaalsContact CD1-CD1 3.45Å; L950-L1046 HydrophobicContact CD1-CD2 3.69Å; L950-L1046 HydrophobicContact CD1-CG 4.22Å; V954-L1046 HydrophobicContact CG2-CD2 3.69Å; V1044-L1046 PolarHBondContact O-N 3.36Å
1047	K	88.4	Confident	87.2	Confident	108 Å²	108	63 Å²	63	47%	0.47	32%	0.319	S	S	.	.			trans	-78	142.1	175.9	-62.7	-163	178.9	-175.8	0	110.3	D1042 V1044 P1045	D1042-K1047 HydrophobicContact CB-CB 4.06Å; D1042-K1047 PolarHBondContact N-O 3.19Å; D1042-K1047 VanDerWaalsContact OD2-C 3.28Å; D1042-K1047 WeakPolarHBondContact OD2-CB 3.36Å; V1044-K1047 HydrophobicContact CB-CB 4.2Å; V1044-K1047 HydrophobicContact CB-CD 4.01Å; V1044-K1047 HydrophobicContact CB-CG 4.14Å; V1044-K1047 HydrophobicContact CG1-CD 3.8Å; V1044-K1047 HydrophobicContact CG1-CG 3.95Å; V1044-K1047 PolarHBondContact O-N 2.69Å; V1044-K1047 VanDerWaalsContact O-N 3.11Å; P1045-K1047 PolarHBondContact O-N 3.38Å
1048	Y	92.6	Very high	84.7	Confident	27 Å²	27	69.6 Å²	69.6	11%	0.106	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	138.4	175.9	66.9	-79.5	0	0	0	109.4	F952 V956 K987 L1039 K1040 D1042	F952-Y1048 HydrophobicContact CD1-CE1 4.18Å; F952-Y1048 AromaticContact CD1-CE2 3.99Å; F952-Y1048 HydrophobicContact CD1-CE2 3.99Å; F952-Y1048 AromaticContact CD1-CZ 3.56Å; F952-Y1048 WeakPolarHBondContact CD1-OH 3.4Å; F952-Y1048 AromaticContact CE1-CE2 3.63Å; F952-Y1048 HydrophobicContact CE1-CE2 3.63Å; F952-Y1048 AromaticContact CE1-CZ 3.7Å; V956-Y1048 HydrophobicContact CG1-CD2 4.44Å; V956-Y1048 HydrophobicContact CG1-CG 4.34Å; V956-Y1048 HydrophobicContact CG2-CD2 4.29Å; K987-Y1048 HydrophobicContact CD-CE2 4.44Å; K987-Y1048 WeakPolarHBondContact CE-OH 3.3Å; K987-Y1048 VanDerWaalsContact NZ-CE2 3.27Å; K987-Y1048 PolarHBondContact NZ-O 3Å; L1039-Y1048 HydrophobicContact CB-CD2 4.42Å; L1039-Y1048 HydrophobicContact CD1-CE2 4.27Å; L1039-Y1048 HydrophobicContact CD2-CD2 4.15Å; L1039-Y1048 HydrophobicContact CD2-CE2 4.13Å; K1040-Y1048 CarbonylContact O-C 3.53Å; K1040-Y1048 WeakPolarHBondContact O-CA 3.22Å; K1040-Y1048 VanDerWaalsContact O-CB 3.28Å; K1040-Y1048 WeakPolarHBondContact O-CB 3.45Å; D1042-Y1048 WeakPolarHBondContact OD2-CA 3.23Å; D1042-Y1048 PolarHBondContact OD2-N 2.63Å; D1042-Y1048 VanDerWaalsContact OD2-N 3.1Å
1049	S	91.8	Very high	81.5	Confident	37 Å²	37	71.6 Å²	71.6	26%	0.259	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	160.5	179.8	44.3	0	0	0	0	111.3	L1039 K1040 D1042	L1039-S1049 WeakPolarHBondContact CA-O 3.28Å; K1040-S1049 PolarHBondContact N-O 3.08Å; K1040-S1049 PolarHBondContact O-N 3.17Å; D1042-S1049 VanDerWaalsContact OD1-CB 3.26Å; D1042-S1049 WeakPolarHBondContact OD1-CB 3.42Å; D1042-S1049 PolarHBondContact OD1-N 3.33Å; D1042-S1049 PolarHBondContact OD1-OG 3.3Å; D1042-S1049 PolarHBondContact OD2-N 3.04Å
1050	A	93.5	Very high	78.4	Confident	4 Å²	4	80.7 Å²	80.7	3%	0.033	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.2	166	0	0	0	0	0	108.4	K987 I989 L1039	K987-A1050 HydrophobicContact CB-CB 3.62Å; K987-A1050 HydrophobicContact CG-CB 3.92Å; I989-A1050 HydrophobicContact CD1-CB 4.32Å; I989-A1050 HydrophobicContact CG1-CB 4.17Å; L1039-A1050 HydrophobicContact CD2-CB 3.85Å
1051	L	92.4	Very high	77.6	Confident	50 Å²	50	79.7 Å²	79.7	26%	0.262	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.3	177.3	-55.3	179.1	0	0	0	108.4	V1037 Q1038 K1040	V1037-L1051 CarbonylContact C-O 3.48Å; V1037-L1051 VanDerWaalsContact CA-O 3.27Å; V1037-L1051 WeakPolarHBondContact CA-O 3.39Å; Q1038-L1051 PolarHBondContact N-O 2.96Å; Q1038-L1051 PolarHBondContact O-N 2.69Å; K1040-L1051 HydrophobicContact CB-CD1 4.34Å; K1040-L1051 HydrophobicContact CD-CD1 4.05Å
1052	L	93.9	Very high	76.8	Confident	12 Å²	12	82.1 Å²	82.1	6%	0.063	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129.5	171.8	-179.2	67.6	0	0	0	108.8	F976 I989 I994 L1013 W1015 V1035	F976-L1052 HydrophobicContact CE1-CD2 4.45Å; F976-L1052 HydrophobicContact CZ-CD1 4.27Å; F976-L1052 HydrophobicContact CZ-CD2 4Å; I989-L1052 HydrophobicContact CD1-CB 4.17Å; I989-L1052 HydrophobicContact CG2-CB 4.19Å; I994-L1052 HydrophobicContact CD1-CB 4.3Å; I994-L1052 HydrophobicContact CD1-CD2 3.86Å; I994-L1052 HydrophobicContact CG1-CB 4.3Å; L1013-L1052 HydrophobicContact CD1-CD2 3.48Å; L1013-L1052 VanDerWaalsContact CD1-CD2 3.48Å; W1015-L1052 HydrophobicContact CH2-CB 4.49Å; W1015-L1052 HydrophobicContact CH2-CD2 3.88Å; W1015-L1052 HydrophobicContact CH2-CG 3.98Å; W1015-L1052 HydrophobicContact CZ2-CD2 3.51Å; W1015-L1052 HydrophobicContact CZ2-CG 3.95Å; V1035-L1052 HydrophobicContact CB-CD1 3.63Å; V1035-L1052 HydrophobicContact CG1-CD1 3.93Å; V1035-L1052 HydrophobicContact CG2-CD1 4.08Å
1053	K	90.5	Very high	76.2	Confident	70 Å²	70	83 Å²	83	30%	0.304	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-75.1	145.1	167.3	-75.4	-167.7	168.2	-170.1	0	110.4	E963 W1015 D1036	E963-K1053 WeakPolarHBondContact OE1-CE 2.94Å; E963-K1053 IonicContact OE1-NZ 2.86Å; E963-K1053 PolarHBondContact OE1-NZ 3.47Å; E963-K1053 IonicContact OE2-NZ 3.25Å; E963-K1053 PolarHBondContact OE2-NZ 3.38Å; W1015-K1053 WeakPolarHBondContact CH2-O 3.36Å; D1036-K1053 HydrophobicContact CB-CB 4.34Å; D1036-K1053 HydrophobicContact CB-CD 4.26Å; D1036-K1053 PolarHBondContact O-N 3.31Å
1054	R	85.6	Confident	75.7	Confident	61 Å²	61	75.9 Å²	75.9	23%	0.23	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-51.9	132.2	160.2	-172.6	-166.1	-172.7	108.7	16	107.7	W1015 T1016 D1018 E1056	W1015-R1054 HydrophobicContact CD2-CB 4.37Å; W1015-R1054 HydrophobicContact CD2-CG 4.07Å; W1015-R1054 HydrophobicContact CE3-CB 3.91Å; W1015-R1054 HydrophobicContact CE3-CG 3.96Å; W1015-R1054 HydrophobicContact CG-CG 4.4Å; W1015-R1054 VanDerWaalsContact CH2-CA 3.47Å; W1015-R1054 HydrophobicContact CH2-CB 4.29Å; W1015-R1054 HydrophobicContact CZ3-CB 3.88Å; W1015-R1054 HydrophobicContact CZ3-CG 4.44Å; T1016-R1054 VanDerWaalsContact O-CZ 3.23Å; T1016-R1054 PolarHBondContact O-NH1 3.24Å; T1016-R1054 PolarHBondContact O-NH2 2.98Å; D1018-R1054 IonicContact OD1-CZ 3.04Å; D1018-R1054 IonicContact OD1-NH1 2.73Å; D1018-R1054 PolarHBondContact OD1-NH1 2.6Å; D1018-R1054 IonicContact OD2-CZ 3.37Å; D1018-R1054 IonicContact OD2-NE 2.7Å; D1018-R1054 PolarHBondContact OD2-NE 3.13Å; D1018-R1054 IonicContact OD2-NH1 2.79Å; D1018-R1054 PolarHBondContact OD2-NH1 2.84Å; D1018-R1054 IonicContact OD2-NH2 3.72Å; R1054-E1056 PolarHBondContact O-N 3.41Å
1055	P	82.6	Confident	75.2	Confident	35 Å²	35	75.8 Å²	75.8	23%	0.227	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-60.1	131.3	170.9	26.2	-33.2	0	0	0	108.8	W1015 V1025 Q1027	W1015-P1055 VanDerWaalsContact CE2-CD 3.49Å; V1025-P1055 HydrophobicContact CG1-CG 4.18Å; Q1027-P1055 HydrophobicContact CB-CG 4.47Å; Q1027-P1055 HydrophobicContact CG-CG 4.44Å
1056	E	69.9	Low	74.6	Confident	171 Å²	171	77.5 Å²	77.5	80%	0.799	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-59.1	141.1	166.7	-64.9	-177.6	-179.3	0	0	108.3	R1054 V1058	R1054-E1056 PolarHBondContact O-N 3.41Å; E1056-V1058 PolarHBondContact O-N 3.07Å
1057	N	53.6	Low	73.9	Confident	122 Å²	122	80.1 Å²	80.1	65%	0.652	45%	0.454	S	S	*	.			trans	-63.4	95.2	-176.8	-80.9	-23.5	0	0	0	110.3	A1059	N1057-A1059 PolarHBondContact O-N 2.97Å
1058	V	41.6	Very low	72.8	Confident	138 Å²	138	77.9 Å²	77.9	84%	0.836	45%	0.453	S	S	*	.			trans	-64.9	103.8	171.2	-176.3	0	0	0	0	107.3	E1056 S1060	E1056-V1058 PolarHBondContact O-N 3.07Å; V1058-S1060 PolarHBondContact O-N 3.13Å
1059	A	28.9	Very low	71.1	Confident	95 Å²	95	82.2 Å²	82.2	79%	0.785	48%	0.482	S	S	*	.			trans	-57.4	130.5	173.7	0	0	0	0	0	109.4	N1057	N1057-A1059 PolarHBondContact O-N 2.97Å
1060	S	29	Very low	69.2	Low	191 Å²	191	86.3 Å²	86.3	100%	1.336	50%	0.503	S	S	*	.			trans	-61.3	0	-169.9	60.7	0	0	0	0	114.9	V1058	V1058-S1060 PolarHBondContact O-N 3.13Å

Retrieved 1,060 of 1,060 residues in 1374.2 ms (Link to these results)

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