A0A087XEN1_POEFO Loading...

ADAM metallopeptidase with thrombospondin type 1 motif, 3

AlphaFold DB , UniProt , Accession A0A087XEN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,152 aa.

						>A0A087XEN1_POEFO|A0A087XEN1
MAVLSLAFLLVGFVLTSADEAGESHREDQLRSRLKEYGLVTPFSTDSHGHYLSHLLSATHKQRVRRDAFPSGSEQRLFFNITAFGKEFHLRLRPNDRLVAPGAMVEWHDEVLEFGNATAGANRTDATERILQRELLKTDCTFIGDITDVPGAMVAINNCDGLAGMIRTDSDEYFIEPLEKGTQELEDQGRVHVVYRRSALLQAPSDNSLDYQLQGAEPELGVAGSLDSLTQQVNQTVHHRRRQRRNAAENDYNIEILLGVDDSVVRFHGKEHVQNYLLTLMNIVNEIYHDESLGVHINVVLVRMIMLGYAKSISLIERGNPSRSLENVCRWAFVQQKGDLDHAEHHDHAIFLTRQGFGPTGMQGYAPVTGMCHPVRSCTLNHEDGFSSAFVVAHETGHVLGMEHDGQGNRCGDETAMGSVMAPLVQAAFHRYHWSMCSGQELKRYIQTYDCLLDDPFKHDWPQLPELPGINYSMDEQCRFDFGVGYKICTSFRTFDPCKQLWCSHPDNPYFCKTKKGPPLDGTECAPGKWCYKGHCMWKNPNQLKVDGAWGSWSKFGSCSRSCGTGVRFRTRQCNNPAPSNAGQDCPGVNYEYQLCNTNECPKHFEDFRAQQCHDRNSNFEFQNAKHHWLPYEHPDANKRCHLYCQSKETGDVAYLKQLVQDGTRCSYKDAYSICVRGECVKVGCDREIGSNKVEDKCGVCGGDNSHCRTVKGTFTRTPKKPGYLKMFHVPPGARHVQIREHEADPQILAIKNQATGHYILNGKADELKSRSFIELGVEWHYVLEGDVETLHTDGPLHDPVVVLIIPKDNETRSTLMYKYIIHEDSVPVNNNNVIQEEAYEWALKSWSPCSKPCSGGSQYTKYGCRKKGDTKMVHRGYCEANKKPKPIRRMCNLQDCTQPQWISEDWEHCTKTCGSLGFQIRTVRCMQFLHDDTSRSIHSKYCSGEKPESRRPCNRTPCPAQWRTGGWSQCSVSCGEGLERRPVTCKTGDQCYGEKPEAVRPCRPGPCHDEPCSGDKSIFCQMEVLARYCSIPGYNKLCCESCSKRTGGLSLFSEAAETEEHVRFGSASQLLETLMANATGSSKQSSGKSSPAKRIATPAPLKKAQPKVSKAPRRVPRDLKLTPSLLQEPEGQRSGGLMGSRWPTSYSKVER
					

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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	32.1	Very low	28.6	Very low	240 Å²	240	148.9 Å²	148.9	100%	1.182	84%	0.837	S	S	*	*				0	118.6	0	-64.7	-67.5	-83.3	0	0	107.7
2	A	25.1	Very low	28.4	Very low	79 Å²	79	141.1 Å²	141.1	65%	0.653	81%	0.814	S	S	*	*			cis	-156.2	144.8	-25.9	0	0	0	0	0	104.6
3	V	27.2	Very low	28.3	Very low	128 Å²	128	146.9 Å²	146.9	78%	0.776	83%	0.825	S	S	*	*			cis	62.4	131.7	44.9	-174.6	0	0	0	0	111.2
4	L	28	Very low	28.4	Very low	144 Å²	144	145.1 Å²	145.1	75%	0.754	82%	0.819	S	S	*	*			trans	72.1	88.7	-179.5	-61.9	142.7	0	0	0	116.8
5	S	31.1	Very low	28.8	Very low	128 Å²	128	146.6 Å²	146.6	90%	0.895	82%	0.823	S	S	*	*			trans	-173.9	28.9	144.3	-77.6	0	0	0	0	109.6
6	L	27.5	Very low	29.1	Very low	162 Å²	162	145.3 Å²	145.3	85%	0.848	82%	0.819	S	S	*	*	S	Bend		-51.9	163	100.9	-93.7	84.5	0	0	0	116.8
7	A	27	Very low	29.8	Very low	64 Å²	64	144.1 Å²	144.1	53%	0.529	82%	0.823	S	S	.	*			trans	82.4	68.7	164.1	0	0	0	0	0	117.8
8	F	27.1	Very low	30.1	Very low	216 Å²	216	139.8 Å²	139.8	95%	0.947	81%	0.807	S	S	*	*	S	Bend	trans	-138.5	58.3	136.5	-111.6	-68.5	0	0	0	112
9	L	30.8	Very low	30.1	Very low	176 Å²	176	139.2 Å²	139.2	92%	0.921	80%	0.801	S	S	*	*	S	Bend	trans	-157.8	56.3	158.3	-112.1	170	0	0	0	110.1
10	L	28.6	Very low	30.4	Very low	151 Å²	151	141.5 Å²	141.5	79%	0.791	80%	0.804	S	S	*	*			trans	-132.1	94.1	171.8	-111.6	178.2	0	0	0	109.4
11	V	29.9	Very low	30.7	Very low	150 Å²	150	138 Å²	138	91%	0.909	79%	0.793	S	S	*	*			trans	-138	106.8	153.2	-177.2	0	0	0	0	105.1
12	G	26.6	Very low	31.1	Very low	55 Å²	55	128.4 Å²	128.4	57%	0.567	76%	0.756	S	S	*	*			trans	-81.2	-165.7	-154.5	0	0	0	0	0	117.4
13	F	27.1	Very low	31.7	Very low	217 Å²	217	131.7 Å²	131.7	95%	0.952	76%	0.758	S	S	*	*			trans	-134.4	167.7	132.7	-118.9	-86.8	0	0	0	109.7
14	V	29.1	Very low	32.1	Very low	122 Å²	122	128.3 Å²	128.3	74%	0.739	74%	0.739	S	S	*	*			trans	-94.7	146.1	-165.4	175.7	0	0	0	0	111.9	T16	V14-T16 PolarHBondContact O-N 3.28Å
15	L	35.3	Very low	32.6	Very low	167 Å²	167	127.9 Å²	127.9	87%	0.874	73%	0.733	S	S	*	*			trans	-27.6	120.7	169.9	-68.9	159.5	0	0	0	115
16	T	33.8	Very low	33	Very low	125 Å²	125	130.8 Å²	130.8	77%	0.767	73%	0.725	S	S	*	*			trans	-132.5	140.1	147.2	51.9	0	0	0	0	109.2	V14 A18	V14-T16 PolarHBondContact O-N 3.28Å; T16-A18 PolarHBondContact O-N 3.13Å; T16-A18 VanDerWaalsContact O-N 3.09Å
17	S	39.7	Very low	33.8	Very low	126 Å²	126	127.7 Å²	127.7	88%	0.881	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	96	-169.5	53.1	0	0	0	0	112.6
18	A	35.2	Very low	34.4	Very low	66 Å²	66	127.6 Å²	127.6	55%	0.545	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-145.7	-37.9	171.9	0	0	0	0	0	113.8	T16 E20 A21 G22	T16-A18 PolarHBondContact O-N 3.13Å; T16-A18 VanDerWaalsContact O-N 3.09Å; A18-E20 PolarHBondContact O-N 3.42Å; A18-A21 WeakPolarHBondContact O-CB 3.08Å; A18-A21 PolarHBondContact O-N 3.07Å; A18-A21 VanDerWaalsContact O-N 3.1Å; A18-G22 PolarHBondContact O-N 2.62Å
19	D	31.6	Very low	35	Very low	129 Å²	129	123.5 Å²	123.5	69%	0.69	68%	0.68	S	S	*	*	H	α-helix	trans	-68.7	-25	-171.6	-73	-53.5	0	0	0	115	A21 G22 E23	D19-A21 PolarHBondContact O-N 3.34Å; D19-A21 VanDerWaalsContact O-N 3.14Å; D19-G22 PolarHBondContact O-N 2.04Å; D19-E23 WeakPolarHBondContact O-CB 3.47Å; D19-E23 PolarHBondContact O-N 3.12Å
20	E	36.1	Very low	35.5	Very low	184 Å²	184	120.4 Å²	120.4	86%	0.86	66%	0.664	S	S	*	*	H	α-helix	trans	-60.1	-23.4	171.8	-72.2	-174.4	129.9	0	0	112.9	A18	A18-E20 PolarHBondContact O-N 3.42Å
21	A	36.8	Very low	36.1	Very low	70 Å²	70	118.5 Å²	118.5	58%	0.579	65%	0.646	S	S	*	*	H	α-helix	trans	-84.3	-38.8	170.7	0	0	0	0	0	112.1	A18 D19 H25	A18-A21 WeakPolarHBondContact O-CB 3.08Å; A18-A21 PolarHBondContact O-N 3.07Å; A18-A21 VanDerWaalsContact O-N 3.1Å; D19-A21 PolarHBondContact O-N 3.34Å; D19-A21 VanDerWaalsContact O-N 3.14Å; A21-H25 WeakPolarHBondContact O-CB 3.42Å; A21-H25 PolarHBondContact O-N 3.2Å
22	G	39.2	Very low	36.7	Very low	38 Å²	38	113.5 Å²	113.5	39%	0.392	62%	0.618	S	S	.	*	H	α-helix	trans	-72.8	-38.9	-177.3	0	0	0	0	0	113.9	A18 D19 H25 R26	A18-G22 PolarHBondContact O-N 2.62Å; D19-G22 PolarHBondContact O-N 2.04Å; G22-H25 PolarHBondContact O-N 3.42Å; G22-R26 WeakPolarHBondContact O-CB 3.35Å; G22-R26 PolarHBondContact O-N 2.68Å
23	E	38.1	Very low	37.6	Very low	148 Å²	148	116.6 Å²	116.6	69%	0.692	61%	0.612	S	S	*	*	H	α-helix	trans	-70.5	-39.4	178.1	-159.2	155.2	-128.9	0	0	110.4	D19 H25 R26 E27	D19-E23 WeakPolarHBondContact O-CB 3.47Å; D19-E23 PolarHBondContact O-N 3.12Å; E23-H25 PolarHBondContact O-N 2.84Å; E23-R26 PolarHBondContact O-N 3.2Å; E23-E27 WeakPolarHBondContact O-CB 3.42Å; E23-E27 PolarHBondContact O-N 3.32Å
24	S	36.4	Very low	38.6	Very low	56 Å²	56	111.9 Å²	111.9	39%	0.392	60%	0.597	S	S	.	*	H	α-helix	trans	-56.2	-51.2	165.9	-169.1	0	0	0	0	111	R26 E27 D28	S24-R26 PolarHBondContact O-N 2.88Å; S24-R26 VanDerWaalsContact O-N 3.17Å; S24-E27 PolarHBondContact O-N 2.88Å; S24-D28 VanDerWaalsContact O-CB 3.23Å; S24-D28 WeakPolarHBondContact O-CB 3.32Å; S24-D28 PolarHBondContact O-N 2.93Å; S24-D28 PolarHBondContact OG-OD2 3.14Å
25	H	37.8	Very low	39.6	Very low	135 Å²	135	112.7 Å²	112.7	63%	0.625	59%	0.59	S	S	*	*	H	α-helix	trans	-64.4	-25.5	-175.8	-136	-53.5	0	0	0	113.9	A21 G22 E23 Q29	A21-H25 WeakPolarHBondContact O-CB 3.42Å; A21-H25 PolarHBondContact O-N 3.2Å; G22-H25 PolarHBondContact O-N 3.42Å; E23-H25 PolarHBondContact O-N 2.84Å; H25-Q29 PolarHBondContact O-N 2.96Å
26	R	38.7	Very low	40.5	Very low	190 Å²	190	106.9 Å²	106.9	72%	0.717	56%	0.559	S	S	*	*	H	α-helix	trans	-88.2	-37.4	178.6	-153.4	175.2	-167.4	178.2	3.3	112.4	G22 E23 S24 D28 Q29 L30	G22-R26 WeakPolarHBondContact O-CB 3.35Å; G22-R26 PolarHBondContact O-N 2.68Å; E23-R26 PolarHBondContact O-N 3.2Å; S24-R26 PolarHBondContact O-N 2.88Å; S24-R26 VanDerWaalsContact O-N 3.17Å; R26-D28 PolarHBondContact O-N 3.17Å; R26-Q29 PolarHBondContact O-N 2.02Å; R26-L30 PolarHBondContact O-N 2.86Å
27	E	44.1	Very low	41.8	Very low	97 Å²	97	105 Å²	105	45%	0.453	54%	0.538	S	S	.	.	H	α-helix	trans	-57.2	-41.7	161.2	-80.4	-150.2	119.6	0	0	110.5	E23 S24 L30 R31	E23-E27 WeakPolarHBondContact O-CB 3.42Å; E23-E27 PolarHBondContact O-N 3.32Å; S24-E27 PolarHBondContact O-N 2.88Å; E27-L30 PolarHBondContact O-N 2.96Å; E27-R31 VanDerWaalsContact O-CB 3.24Å; E27-R31 WeakPolarHBondContact O-CB 3.11Å; E27-R31 WeakPolarHBondContact O-CG 3.05Å; E27-R31 PolarHBondContact O-N 2.81Å; E27-R31 IonicContact OE1-CZ 3.5Å; E27-R31 IonicContact OE1-NH2 3.25Å; E27-R31 PolarHBondContact OE1-NH2 2.02Å; E27-R31 VanDerWaalsContact OE1-NH2 3.13Å; E27-R31 IonicContact OE2-CZ 3.3Å; E27-R31 IonicContact OE2-NH1 3.13Å; E27-R31 PolarHBondContact OE2-NH1 3.4Å; E27-R31 IonicContact OE2-NH2 3.25Å; E27-R31 PolarHBondContact OE2-NH2 3.32Å
28	D	40.9	Very low	43	Very low	62 Å²	62	99.8 Å²	99.8	33%	0.332	50%	0.504	S	S	.	.	H	α-helix	trans	-75.1	-24.8	-176.5	-70.3	-37.7	0	0	0	113.3	S24 R26 R31 S32	S24-D28 VanDerWaalsContact O-CB 3.23Å; S24-D28 WeakPolarHBondContact O-CB 3.32Å; S24-D28 PolarHBondContact O-N 2.93Å; S24-D28 PolarHBondContact OG-OD2 3.14Å; R26-D28 PolarHBondContact O-N 3.17Å; D28-R31 IonicContact OD1-NH1 2.76Å; D28-R31 PolarHBondContact OD1-NH1 2.67Å; D28-S32 VanDerWaalsContact O-CB 3.3Å; D28-S32 WeakPolarHBondContact O-CB 3.02Å; D28-S32 PolarHBondContact O-N 3.18Å
29	Q	39.1	Very low	44.8	Very low	129 Å²	129	102.1 Å²	102.1	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-74.6	-40.3	165.4	-89.5	-170.7	-21	0	0	112.7	H25 R26 R31 S32 R33	H25-Q29 PolarHBondContact O-N 2.96Å; R26-Q29 PolarHBondContact O-N 2.02Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-S32 PolarHBondContact O-N 2.81Å; Q29-S32 VanDerWaalsContact O-N 3.13Å; Q29-S32 PolarHBondContact O-OG 3.23Å; Q29-R33 PolarHBondContact O-N 3.03Å; Q29-R33 VanDerWaalsContact O-N 3.12Å
30	L	40.6	Very low	46.9	Very low	112 Å²	112	96.5 Å²	96.5	59%	0.586	48%	0.477	S	S	*	.	H	α-helix	trans	-64.8	-42.2	172.7	-83.9	161.6	0	0	0	110.7	R26 E27 S32 R33 L34	R26-L30 PolarHBondContact O-N 2.86Å; E27-L30 PolarHBondContact O-N 2.96Å; L30-S32 VanDerWaalsContact C-N 3.29Å; L30-S32 PolarHBondContact O-N 2.75Å; L30-R33 PolarHBondContact O-N 2.86Å; L30-L34 VanDerWaalsContact O-CB 3.22Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 2.77Å
31	R	42.3	Very low	48.9	Very low	111 Å²	111	90.4 Å²	90.4	42%	0.419	45%	0.452	S	S	.	.	H	α-helix	trans	-66.4	-22.3	169.7	-69.6	168	-179.7	149.9	9.3	113.1	E27 D28 Q29 K35	E27-R31 VanDerWaalsContact O-CB 3.24Å; E27-R31 WeakPolarHBondContact O-CB 3.11Å; E27-R31 WeakPolarHBondContact O-CG 3.05Å; E27-R31 PolarHBondContact O-N 2.81Å; E27-R31 IonicContact OE1-CZ 3.5Å; E27-R31 IonicContact OE1-NH2 3.25Å; E27-R31 PolarHBondContact OE1-NH2 2.02Å; E27-R31 VanDerWaalsContact OE1-NH2 3.13Å; E27-R31 IonicContact OE2-CZ 3.3Å; E27-R31 IonicContact OE2-NH1 3.13Å; E27-R31 PolarHBondContact OE2-NH1 3.4Å; E27-R31 IonicContact OE2-NH2 3.25Å; E27-R31 PolarHBondContact OE2-NH2 3.32Å; D28-R31 IonicContact OD1-NH1 2.76Å; D28-R31 PolarHBondContact OD1-NH1 2.67Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; R31-K35 WeakPolarHBondContact O-CB 3.26Å; R31-K35 VanDerWaalsContact O-CD 3.22Å; R31-K35 WeakPolarHBondContact O-CD 3.03Å; R31-K35 WeakPolarHBondContact O-CE 3.4Å; R31-K35 WeakPolarHBondContact O-CG 3.33Å; R31-K35 PolarHBondContact O-N 3.23Å; R31-K35 VanDerWaalsContact O-N 3.11Å
32	S	42.9	Very low	50.9	Low	45 Å²	45	87.1 Å²	87.1	32%	0.315	43%	0.425	S	S	.	.	H	α-helix	trans	-77	-38.1	175.1	76.7	0	0	0	0	111.7	D28 Q29 L30	D28-S32 VanDerWaalsContact O-CB 3.3Å; D28-S32 WeakPolarHBondContact O-CB 3.02Å; D28-S32 PolarHBondContact O-N 3.18Å; Q29-S32 PolarHBondContact O-N 2.81Å; Q29-S32 VanDerWaalsContact O-N 3.13Å; Q29-S32 PolarHBondContact O-OG 3.23Å; L30-S32 VanDerWaalsContact C-N 3.29Å; L30-S32 PolarHBondContact O-N 2.75Å
33	R	45.3	Very low	52.7	Low	119 Å²	119	87 Å²	87	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-74.8	-41.3	172	-71.2	-176.8	166.4	-149.2	-8.2	112.6	Q29 L30 K35 E36 Q202	Q29-R33 PolarHBondContact O-N 3.03Å; Q29-R33 VanDerWaalsContact O-N 3.12Å; L30-R33 PolarHBondContact O-N 2.86Å; R33-K35 PolarHBondContact O-N 2.77Å; R33-E36 PolarHBondContact O-N 3.1Å; R33-E36 VanDerWaalsContact O-N 3.1Å; R33-Q202 VanDerWaalsContact NE-OE1 3.1Å; R33-Q202 PolarHBondContact NH2-O 3.45Å
34	L	47.9	Very low	54.5	Low	118 Å²	118	80.4 Å²	80.4	62%	0.618	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-8.5	174.9	-66.4	168.3	0	0	0	113.6	L30 E36	L30-L34 VanDerWaalsContact O-CB 3.22Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 2.77Å; L34-E36 PolarHBondContact O-N 2.84Å
35	K	50	Low	56.3	Low	140 Å²	140	78.1 Å²	78.1	61%	0.609	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.2	167.1	-89.2	161.2	-156	165	0	113	R31 R33 F84	R31-K35 WeakPolarHBondContact O-CB 3.26Å; R31-K35 VanDerWaalsContact O-CD 3.22Å; R31-K35 WeakPolarHBondContact O-CD 3.03Å; R31-K35 WeakPolarHBondContact O-CE 3.4Å; R31-K35 WeakPolarHBondContact O-CG 3.33Å; R31-K35 PolarHBondContact O-N 3.23Å; R31-K35 VanDerWaalsContact O-N 3.11Å; R33-K35 PolarHBondContact O-N 2.77Å; K35-F84 WeakPolarHBondContact O-CD1 3.07Å; K35-F84 VanDerWaalsContact O-CE1 3.24Å; K35-F84 WeakPolarHBondContact O-CE1 3.31Å
36	E	54.1	Low	57.8	Low	45 Å²	45	72.2 Å²	72.2	21%	0.21	34%	0.341	C	S	.	.	S	Bend	trans	-98.2	-11.2	-174.3	-50.3	-174.7	133.4	0	0	112.9	R33 L34 F84 A199 Q202	R33-E36 PolarHBondContact O-N 3.1Å; R33-E36 VanDerWaalsContact O-N 3.1Å; L34-E36 PolarHBondContact O-N 2.84Å; E36-F84 VanDerWaalsContact C-CE1 3.45Å; E36-F84 WeakPolarHBondContact O-CE1 3.47Å; E36-F84 WeakPolarHBondContact O-CZ 3.5Å; E36-A199 HydrophobicContact CB-CB 3.52Å; E36-A199 VanDerWaalsContact O-CB 3.28Å; E36-A199 WeakPolarHBondContact O-CB 3.3Å; E36-Q202 PolarHBondContact OE1-NE2 2.84Å; E36-Q202 PolarHBondContact OE2-NE2 3.38Å
37	Y	61.6	Low	59.3	Low	86 Å²	86	63.5 Å²	63.5	34%	0.337	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	111.5	177.9	-63.8	-98.4	0	0	0	110.5	V193 Y195 A199	Y37-V193 HydrophobicContact CD1-CG2 4.29Å; Y37-Y195 HydrophobicContact CD1-CG 4.43Å; Y37-Y195 HydrophobicContact CE1-CG 4.29Å; Y37-A199 HydrophobicContact CD2-CB 4.2Å; Y37-A199 HydrophobicContact CE1-CB 4.32Å; Y37-A199 HydrophobicContact CE2-CB 3.66Å; Y37-A199 WeakPolarHBondContact CE2-O 3.46Å; Y37-A199 VanDerWaalsContact OH-C 3.28Å; Y37-A199 PolarHBondContact OH-O 2.9Å
38	G	65.2	Low	60.3	Low	15 Å²	15	58.9 Å²	58.9	16%	0.155	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.8	175.4	0	0	0	0	0	111.3	V194	G38-V194 PolarHBondContact N-O 2.87Å; G38-V194 PolarHBondContact O-N 3.2Å
39	L	72.8	Confident	61.4	Low	115 Å²	115	56 Å²	56	60%	0.602	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.9	162.2	-66	-178.8	0	0	0	108.8	L178 V191 V193	L39-L178 HydrophobicContact CD2-CD1 4.14Å; L39-L178 HydrophobicContact CD2-CD2 4.14Å; L39-V191 HydrophobicContact CB-CG1 4.2Å; L39-V191 HydrophobicContact CD2-CG1 4.18Å; L39-V193 HydrophobicContact CD2-CB 4.21Å; L39-V193 HydrophobicContact CD2-CG2 4.34Å
40	V	74.6	Confident	62.8	Low	12 Å²	12	50.7 Å²	50.7	7%	0.073	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150	179.9	-53.3	0	0	0	0	110.1	P42 I81 T82 A83 I175 H192 V194	V40-P42 HydrophobicContact CG2-CB 4.46Å; V40-P42 HydrophobicContact CG2-CG 4.45Å; V40-P42 WeakPolarHBondContact O-CD 3.36Å; V40-I81 HydrophobicContact CG2-CG2 4.23Å; V40-T82 WeakPolarHBondContact CG1-O 3.23Å; V40-A83 HydrophobicContact CG1-CB 3.93Å; V40-I175 HydrophobicContact CG2-CD1 4.4Å; V40-H192 HydrophobicContact CG2-CB 4.19Å; V40-H192 PolarHBondContact N-O 2.87Å; V40-H192 PolarHBondContact O-N 3.06Å; V40-V194 HydrophobicContact CB-CG2 4.5Å; V40-V194 HydrophobicContact CG1-CG2 4.14Å; V40-V194 HydrophobicContact CG2-CG2 3.51Å
41	T	78	Confident	64.3	Low	56 Å²	56	49.3 Å²	49.3	34%	0.344	24%	0.235	S	C	.	.			trans	-105.4	91.1	164	-57.9	0	0	0	0	106.4	H54	T41-H54 WeakPolarHBondContact CG2-ND1 3.45Å
42	P	79.7	Confident	65.6	Low	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.221	C	C	.	.			trans	-72.1	162.2	-178.5	34.9	-31.8	0	0	0	108.9	V40 L56 I81 L162 I175 H192	V40-P42 HydrophobicContact CG2-CB 4.46Å; V40-P42 HydrophobicContact CG2-CG 4.45Å; V40-P42 WeakPolarHBondContact O-CD 3.36Å; P42-L56 HydrophobicContact CG-CD1 3.77Å; P42-L56 HydrophobicContact CG-CD2 4.5Å; P42-I81 HydrophobicContact CB-CG1 3.95Å; P42-L162 HydrophobicContact CB-CD1 3.98Å; P42-L162 HydrophobicContact CG-CD1 4.14Å; P42-I175 HydrophobicContact CB-CD1 4.38Å; P42-I175 HydrophobicContact CG-CD1 4.16Å; P42-H192 VanDerWaalsContact CD-ND1 3.29Å; P42-H192 WeakPolarHBondContact CD-ND1 3.19Å; P42-H192 HydrophobicContact CG-CB 4.05Å; P42-H192 WeakPolarHBondContact CG-ND1 3.02Å
43	F	76.6	Confident	67.2	Low	34 Å²	34	44.1 Å²	44.1	15%	0.149	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.4	-177.6	41.8	-90.2	0	0	0	111.1	T45 H50 Y51 S53 N80	F43-T45 HydrophobicContact CD2-CG2 3.9Å; F43-T45 HydrophobicContact CE2-CG2 4.23Å; F43-H50 WeakPolarHBondContact CD2-O 3.07Å; F43-H50 WeakPolarHBondContact CE2-O 3.45Å; F43-Y51 HydrophobicContact CB-CD2 3.51Å; F43-Y51 HydrophobicContact CB-CE2 3.72Å; F43-Y51 HydrophobicContact CD1-CD2 4.1Å; F43-Y51 AromaticContact CD2-CD2 3.81Å; F43-Y51 HydrophobicContact CD2-CD2 3.81Å; F43-Y51 HydrophobicContact CD2-CG 4.47Å; F43-Y51 HydrophobicContact CE2-CD2 4.5Å; F43-Y51 AromaticContact CG-CD2 3.56Å; F43-Y51 HydrophobicContact CG-CD2 3.56Å; F43-Y51 HydrophobicContact CG-CE2 4.23Å; F43-S53 WeakPolarHBondContact CA-O 3.38Å; F43-S53 WeakPolarHBondContact CB-O 3.33Å; F43-N80 HydrophobicContact CD2-CB 3.9Å; F43-N80 HydrophobicContact CE2-CB 3.46Å; F43-N80 VanDerWaalsContact CE2-CB 3.46Å; F43-N80 WeakPolarHBondContact CE2-ND2 3.48Å; F43-N80 HydrophobicContact CZ-CB 3.92Å; F43-N80 PolarHBondContact N-O 2.03Å; F43-N80 PolarHBondContact O-N 2.94Å; F43-N80 VanDerWaalsContact O-N 3.09Å
44	S	77.1	Confident	68.3	Low	11 Å²	11	40.5 Å²	40.5	8%	0.077	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	148.6	173.6	36	0	0	0	0	110.8	L52 S53 L55	S44-L52 VanDerWaalsContact C-CB 3.45Å; S44-L52 WeakPolarHBondContact O-CA 3.33Å; S44-L52 WeakPolarHBondContact O-CB 3.17Å; S44-L52 PolarHBondContact O-N 2.89Å; S44-S53 PolarHBondContact N-O 3.23Å; S44-S53 PolarHBondContact OG-O 3.35Å; S44-S53 PolarHBondContact OG-OG 3.44Å; S44-L55 VanDerWaalsContact CB-O 3.3Å; S44-L55 WeakPolarHBondContact CB-O 3.18Å; S44-L55 PolarHBondContact OG-O 3Å
45	T	73.1	Confident	69.5	Low	7 Å²	7	37 Å²	37	4%	0.043	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	-177.7	179.7	59.7	0	0	0	0	110.2	F43 H50 F78 F79 N80 H89 F480 D481	F43-T45 HydrophobicContact CD2-CG2 3.9Å; F43-T45 HydrophobicContact CE2-CG2 4.23Å; T45-H50 WeakPolarHBondContact CG2-O 3.36Å; T45-F78 CarbonylContact C-O 3.55Å; T45-F78 VanDerWaalsContact C-O 3.26Å; T45-F78 WeakPolarHBondContact CA-O 3.34Å; T45-F78 PolarHBondContact N-O 2.86Å; T45-F78 CarbonylContact O-C 3.5Å; T45-F78 PolarHBondContact O-N 2.64Å; T45-F78 WeakPolarHBondContact OG1-CB 3.06Å; T45-F78 PolarHBondContact OG1-O 2.64Å; T45-F79 VanDerWaalsContact OG1-C 3.32Å; T45-F79 WeakPolarHBondContact OG1-CA 3Å; T45-F79 PolarHBondContact OG1-N 2.75Å; T45-N80 HydrophobicContact CG2-CB 3.69Å; T45-H89 WeakPolarHBondContact CB-NE2 3.03Å; T45-H89 PolarHBondContact OG1-CE1 3.03Å; T45-H89 PolarHBondContact OG1-ND1 2.85Å; T45-H89 PolarHBondContact OG1-NE2 3.19Å; T45-F480 CarbonylContact C-O 3.54Å; T45-F480 WeakPolarHBondContact CA-O 3.16Å; T45-D481 WeakPolarHBondContact CG2-O 3.48Å
46	D	70.3	Confident	70.5	Confident	12 Å²	12	30.5 Å²	30.5	6%	0.064	16%	0.155	C	C	.	.			trans	-140.7	-152.7	167.8	103.8	-101	0	0	0	107.4	H48 F78 H89 F480 D481	D46-H48 VanDerWaalsContact C-N 3.31Å; D46-H48 PolarHBondContact O-N 3.38Å; D46-F78 VanDerWaalsContact C-CD2 3.45Å; D46-F78 VanDerWaalsContact CA-CB 3.47Å; D46-F78 HydrophobicContact CB-CD2 3.88Å; D46-F78 HydrophobicContact CB-CE2 4.12Å; D46-F78 HydrophobicContact CB-CG 4.48Å; D46-F78 WeakPolarHBondContact O-CB 3.28Å; D46-F78 VanDerWaalsContact O-CD1 3.28Å; D46-F78 WeakPolarHBondContact O-CD1 3.33Å; D46-F78 WeakPolarHBondContact O-CG 3.39Å; D46-H89 PolarHBondContact O-NE2 3.25Å; D46-F480 HydrophobicContact CB-CB 3.64Å; D46-F480 PolarHBondContact N-O 2.77Å; D46-F480 VanDerWaalsContact N-O 3.17Å; D46-F480 VanDerWaalsContact OD1-C 3.26Å; D46-F480 WeakPolarHBondContact OD1-CA 3.31Å; D46-F480 WeakPolarHBondContact OD1-CB 3.48Å; D46-D481 HydrophobicContact CB-CB 4.19Å; D46-D481 VanDerWaalsContact CG-OD1 3.24Å; D46-D481 WeakPolarHBondContact O-CB 3.15Å; D46-D481 PolarHBondContact OD1-N 2.93Å; D46-D481 VanDerWaalsContact OD1-OD1 3.05Å
47	S	68.4	Low	71.4	Confident	6 Å²	6	28.5 Å²	28.5	4%	0.042	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-30.9	-172.8	42.5	0	0	0	0	120.1	D481	S47-D481 PolarHBondContact N-OD1 2.67Å; S47-D481 PolarHBondContact OG-OD1 2.79Å; S47-D481 VanDerWaalsContact OG-OD1 3.1Å
48	H	65.9	Low	71.4	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-20.1	-168.6	-50.6	93	0	0	0	116.6	D46 Q477 D481 F482 L501 T514 K515	D46-H48 VanDerWaalsContact C-N 3.31Å; D46-H48 PolarHBondContact O-N 3.38Å; H48-Q477 PolarHBondContact CE1-O 3.48Å; H48-Q477 PolarHBondContact ND1-O 2.95Å; H48-D481 HydrophobicContact CB-CB 4.13Å; H48-D481 WeakPolarHBondContact CB-OD1 3.38Å; H48-D481 CovalentContact CE1-OD1 1.79Å; H48-D481 IonicContact CE1-OD1 2.91Å; H48-D481 PolarHBondContact CE1-OD1 2.9Å; H48-D481 IonicContact CE1-OD2 2.86Å; H48-D481 PolarHBondContact CE1-OD2 3.16Å; H48-D481 VanDerWaalsContact CE1-OD2 3.24Å; H48-D481 IonicContact CG-OD1 2.73Å; H48-D481 PolarHBondContact N-OD1 2.83Å; H48-D481 IonicContact ND1-OD1 3.42Å; H48-D481 PolarHBondContact ND1-OD1 2.87Å; H48-F482 VanDerWaalsContact C-CD1 3.48Å; H48-F482 HydrophobicContact CB-CD1 3.85Å; H48-F482 HydrophobicContact CB-CD2 3.86Å; H48-F482 HydrophobicContact CB-CE1 3.39Å; H48-F482 HydrophobicContact CB-CE2 3.32Å; H48-F482 HydrophobicContact CB-CG 4.21Å; H48-F482 HydrophobicContact CB-CZ 3.16Å; H48-F482 WeakPolarHBondContact O-CE1 3.39Å; H48-L501 PolarHBondContact CD2-O 2.94Å; H48-L501 VanDerWaalsContact CD2-O 3.23Å; H48-L501 WeakPolarHBondContact NE2-CD2 3.12Å; H48-T514 PolarHBondContact CD2-OG1 3.36Å; H48-K515 PolarHBondContact CD2-O 2.9Å; H48-K515 WeakPolarHBondContact O-CB 3.49Å; H48-K515 VanDerWaalsContact O-CD 3.23Å; H48-K515 WeakPolarHBondContact O-CD 3.33Å; H48-K515 WeakPolarHBondContact O-CG 3.41Å; H48-K515 PolarHBondContact O-N 3.03Å; H48-K515 VanDerWaalsContact O-N 3.16Å
49	G	64.5	Low	70.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.			trans	81.1	19.5	155.2	0	0	0	0	0	127.2	N80 H89 D481 F482 K515	G49-N80 PolarHBondContact O-ND2 2.61Å; G49-H89 WeakPolarHBondContact CA-NE2 3.22Å; G49-D481 CarbonylContact C-O 3.46Å; G49-D481 VanDerWaalsContact CA-O 3.31Å; G49-D481 WeakPolarHBondContact CA-O 3.31Å; G49-D481 PolarHBondContact N-O 2.78Å; G49-F482 VanDerWaalsContact N-CD1 3.28Å; G49-F482 VanDerWaalsContact N-CE1 3.32Å; G49-K515 PolarHBondContact O-NZ 2.98Å
50	H	67.4	Low	69.5	Low	18 Å²	18	23.2 Å²	23.2	8%	0.083	12%	0.124	C	C	.	.	S	Bend	trans	-68.7	-135.2	148.6	29.4	96.2	0	0	0	113.6	F43 T45 D481 F482 Y486 K513	F43-H50 WeakPolarHBondContact CD2-O 3.07Å; F43-H50 WeakPolarHBondContact CE2-O 3.45Å; T45-H50 WeakPolarHBondContact CG2-O 3.36Å; H50-D481 CarbonylContact C-O 3.6Å; H50-D481 PolarHBondContact N-O 2.71Å; H50-D481 VanDerWaalsContact N-O 3.12Å; H50-F482 HydrophobicContact CB-CD1 4.13Å; H50-F482 HydrophobicContact CB-CE1 4.36Å; H50-F482 AromaticContact CD2-CD1 3.38Å; H50-F482 WeakPolarHBondContact CD2-CD1 3.41Å; H50-F482 AromaticContact CD2-CE1 2.97Å; H50-F482 WeakPolarHBondContact CD2-CE1 3.3Å; H50-F482 AromaticContact CD2-CZ 3.5Å; H50-F482 VanDerWaalsContact CD2-CZ 3.5Å; H50-F482 WeakPolarHBondContact CD2-CZ 3.47Å; H50-F482 VanDerWaalsContact CE1-CB 3.45Å; H50-F482 WeakPolarHBondContact CE1-CB 3.22Å; H50-F482 AromaticContact CE1-CD1 3.25Å; H50-F482 WeakPolarHBondContact CE1-CD1 3.38Å; H50-F482 AromaticContact CE1-CD2 3.44Å; H50-F482 VanDerWaalsContact CE1-CD2 3.44Å; H50-F482 WeakPolarHBondContact CE1-CD2 3.36Å; H50-F482 AromaticContact CE1-CE1 3.42Å; H50-F482 VanDerWaalsContact CE1-CE1 3.42Å; H50-F482 WeakPolarHBondContact CE1-CE1 3.18Å; H50-F482 AromaticContact CE1-CE2 3.66Å; H50-F482 AromaticContact CE1-CG 3.12Å; H50-F482 WeakPolarHBondContact CE1-CG 3.44Å; H50-F482 AromaticContact CE1-CZ 3.57Å; H50-F482 AromaticContact CG-CD1 3.28Å; H50-F482 AromaticContact CG-CE1 3.42Å; H50-F482 VanDerWaalsContact CG-CE1 3.42Å; H50-F482 AromaticContact CG-CG 3.9Å; H50-F482 VanDerWaalsContact N-CE1 3.28Å; H50-F482 VanDerWaalsContact ND1-C 3.32Å; H50-F482 WeakPolarHBondContact ND1-CA 3.41Å; H50-F482 VanDerWaalsContact ND1-CB 3.33Å; H50-F482 WeakPolarHBondContact ND1-CB 3.45Å; H50-F482 AromaticContact ND1-CD1 3.25Å; H50-F482 WeakPolarHBondContact ND1-CD1 3.31Å; H50-F482 AromaticContact ND1-CE1 3.71Å; H50-F482 AromaticContact ND1-CG 3.34Å; H50-F482 VanDerWaalsContact ND1-CG 3.34Å; H50-F482 WeakPolarHBondContact ND1-CG 3.39Å; H50-F482 PolarHBondContact ND1-O 2.86Å; H50-F482 AromaticContact NE2-CD1 3.43Å; H50-F482 WeakPolarHBondContact NE2-CD1 3.49Å; H50-F482 AromaticContact NE2-CD2 3.84Å; H50-F482 AromaticContact NE2-CE1 3.05Å; H50-F482 WeakPolarHBondContact NE2-CE1 3.3Å; H50-F482 AromaticContact NE2-CE2 3.56Å; H50-F482 AromaticContact NE2-CG 3.69Å; H50-F482 AromaticContact NE2-CZ 3.06Å; H50-F482 WeakPolarHBondContact NE2-CZ 3.4Å; H50-Y486 AromaticContact CE1-CD1 3.01Å; H50-Y486 WeakPolarHBondContact CE1-CD1 3.44Å; H50-Y486 AromaticContact CE1-CE1 3.09Å; H50-Y486 WeakPolarHBondContact CE1-CE1 3.25Å; H50-Y486 AromaticContact CE1-CG 3.66Å; H50-Y486 AromaticContact CE1-CZ 3.79Å; H50-Y486 AromaticContact ND1-CD1 3.35Å; H50-Y486 VanDerWaalsContact ND1-CD1 3.35Å; H50-Y486 WeakPolarHBondContact ND1-CD1 3.21Å; H50-Y486 AromaticContact ND1-CD2 3.82Å; H50-Y486 AromaticContact ND1-CE1 3.23Å; H50-Y486 WeakPolarHBondContact ND1-CE1 3.42Å; H50-Y486 AromaticContact ND1-CE2 3.72Å; H50-Y486 AromaticContact ND1-CG 3.63Å; H50-Y486 AromaticContact ND1-CZ 3.4Å; H50-Y486 AromaticContact NE2-CE1 3.82Å; H50-K513 WeakPolarHBondContact CD2-CD 3.22Å; H50-K513 WeakPolarHBondContact NE2-CB 3.41Å
51	Y	73.5	Confident	67.9	Low	84 Å²	84	27.7 Å²	27.7	33%	0.329	14%	0.143	S	C	.	.	B	Isolated β-bridge	trans	-121.1	96.2	-153.2	167.6	-103.7	0	0	0	113.8	F43 S53 H54 F482 G483	F43-Y51 HydrophobicContact CB-CD2 3.51Å; F43-Y51 HydrophobicContact CB-CE2 3.72Å; F43-Y51 HydrophobicContact CD1-CD2 4.1Å; F43-Y51 AromaticContact CD2-CD2 3.81Å; F43-Y51 HydrophobicContact CD2-CD2 3.81Å; F43-Y51 HydrophobicContact CD2-CG 4.47Å; F43-Y51 HydrophobicContact CE2-CD2 4.5Å; F43-Y51 AromaticContact CG-CD2 3.56Å; F43-Y51 HydrophobicContact CG-CD2 3.56Å; F43-Y51 HydrophobicContact CG-CE2 4.23Å; Y51-S53 VanDerWaalsContact CE2-C 3.5Å; Y51-S53 WeakPolarHBondContact OH-CA 3.48Å; Y51-H54 AromaticContact CE2-CD2 3.99Å; Y51-H54 AromaticContact CE2-CE1 3.52Å; Y51-H54 AromaticContact CE2-CG 3.95Å; Y51-H54 AromaticContact CE2-ND1 3.67Å; Y51-H54 AromaticContact CE2-NE2 3.72Å; Y51-H54 AromaticContact CZ-CD2 3.9Å; Y51-H54 AromaticContact CZ-NE2 3.82Å; Y51-H54 PolarHBondContact OH-CD2 3.19Å; Y51-H54 PolarHBondContact OH-N 3.31Å; Y51-F482 CarbonylContact C-O 3.47Å; Y51-F482 PolarHBondContact N-O 3.02Å; Y51-G483 WeakPolarHBondContact O-CA 3.45Å
52	L	69.5	Low	66	Low	24 Å²	24	33.4 Å²	33.4	13%	0.126	17%	0.165	C	C	.	.			trans	-62.4	-70.6	174	-154.9	-165.6	0	0	0	111.2	S44 R479 F480 V484	S44-L52 VanDerWaalsContact C-CB 3.45Å; S44-L52 WeakPolarHBondContact O-CA 3.33Å; S44-L52 WeakPolarHBondContact O-CB 3.17Å; S44-L52 PolarHBondContact O-N 2.89Å; L52-R479 WeakPolarHBondContact CG-O 3.35Å; L52-F480 VanDerWaalsContact CB-O 3.24Å; L52-F480 WeakPolarHBondContact CB-O 3.45Å; L52-F480 HydrophobicContact CD1-CB 4.41Å; L52-F480 HydrophobicContact CD1-CD1 3.94Å; L52-F480 VanDerWaalsContact CD1-O 3.27Å; L52-F480 WeakPolarHBondContact CD1-O 3.32Å; L52-F480 WeakPolarHBondContact CG-O 3.39Å; L52-V484 HydrophobicContact CD2-CG1 3.74Å; L52-V484 WeakPolarHBondContact O-CG1 3.48Å; L52-V484 WeakPolarHBondContact O-CG2 3.41Å; L52-V484 PolarHBondContact O-N 2.89Å
53	S	75	Confident	63.8	Low	22 Å²	22	42.1 Å²	42.1	15%	0.154	20%	0.198	C	C	.	.			trans	-165.9	163.4	-175.4	63.9	0	0	0	0	109.3	F43 S44 Y51 L55	F43-S53 WeakPolarHBondContact CA-O 3.38Å; F43-S53 WeakPolarHBondContact CB-O 3.33Å; S44-S53 PolarHBondContact N-O 3.23Å; S44-S53 PolarHBondContact OG-O 3.35Å; S44-S53 PolarHBondContact OG-OG 3.44Å; Y51-S53 VanDerWaalsContact CE2-C 3.5Å; Y51-S53 WeakPolarHBondContact OH-CA 3.48Å; S53-L55 PolarHBondContact O-N 2.03Å; S53-L55 PolarHBondContact OG-N 3.4Å
54	H	69.9	Low	62	Low	44 Å²	44	45.6 Å²	45.6	20%	0.204	22%	0.222	C	C	.	.	S	Bend	trans	-75.7	-1.6	168.4	-68	-53.4	0	0	0	114	T41 Y51 L56 E186 G189	T41-H54 WeakPolarHBondContact CG2-ND1 3.45Å; Y51-H54 AromaticContact CE2-CD2 3.99Å; Y51-H54 AromaticContact CE2-CE1 3.52Å; Y51-H54 AromaticContact CE2-CG 3.95Å; Y51-H54 AromaticContact CE2-ND1 3.67Å; Y51-H54 AromaticContact CE2-NE2 3.72Å; Y51-H54 AromaticContact CZ-CD2 3.9Å; Y51-H54 AromaticContact CZ-NE2 3.82Å; Y51-H54 PolarHBondContact OH-CD2 3.19Å; Y51-H54 PolarHBondContact OH-N 3.31Å; H54-L56 PolarHBondContact O-N 2.89Å; H54-E186 WeakPolarHBondContact CB-O 3Å; H54-E186 WeakPolarHBondContact O-CG 3.16Å; H54-G189 VanDerWaalsContact CG-CA 3.45Å
55	L	71.9	Confident	59.8	Low	44 Å²	44	51.4 Å²	51.4	23%	0.23	24%	0.242	C	C	.	.			trans	-74.7	121.6	172.5	-62.5	177.7	0	0	0	110.7	S44 S53 H60 E186 D187	S44-L55 VanDerWaalsContact CB-O 3.3Å; S44-L55 WeakPolarHBondContact CB-O 3.18Å; S44-L55 PolarHBondContact OG-O 3Å; S53-L55 PolarHBondContact O-N 2.03Å; S53-L55 PolarHBondContact OG-N 3.4Å; L55-H60 HydrophobicContact CD1-CB 4.38Å; L55-H60 HydrophobicContact CD2-CB 4.32Å; L55-E186 HydrophobicContact CD2-CB 4.15Å; L55-E186 HydrophobicContact CD2-CG 4.17Å; L55-D187 WeakPolarHBondContact CD2-OD1 3.25Å; L55-D187 WeakPolarHBondContact CG-OD1 3.49Å
56	L	71.9	Confident	57.5	Low	4 Å²	4	59 Å²	59	2%	0.021	27%	0.27	C	S	.	.			trans	-121	-41.3	-179.1	-50.4	156.3	0	0	0	109.3	P42 H54 A58 F79 N158 L162 E186 H192	P42-L56 HydrophobicContact CG-CD1 3.77Å; P42-L56 HydrophobicContact CG-CD2 4.5Å; H54-L56 PolarHBondContact O-N 2.89Å; L56-A58 PolarHBondContact O-N 3.42Å; L56-F79 HydrophobicContact CB-CE1 4.32Å; L56-F79 HydrophobicContact CD2-CD1 3.56Å; L56-F79 HydrophobicContact CD2-CE1 3.69Å; L56-N158 PolarHBondContact O-ND2 3.32Å; L56-L162 HydrophobicContact CB-CD2 4.2Å; L56-L162 HydrophobicContact CB-CG 4.17Å; L56-L162 HydrophobicContact CD1-CG 4.25Å; L56-L162 HydrophobicContact CD2-CD1 4.03Å; L56-L162 HydrophobicContact CD2-CD2 4.39Å; L56-L162 HydrophobicContact CD2-CG 3.99Å; L56-L162 HydrophobicContact CG-CG 4.35Å; L56-E186 WeakPolarHBondContact CA-OE1 3.14Å; L56-E186 VanDerWaalsContact CB-OE1 3.26Å; L56-E186 WeakPolarHBondContact CB-OE1 3.02Å; L56-E186 PolarHBondContact N-OE1 3.04Å; L56-H192 WeakPolarHBondContact CD1-CE1 3.36Å
57	S	72.1	Confident	55.5	Low	2 Å²	2	62.9 Å²	62.9	1%	0.014	29%	0.291	C	S	.	.			trans	-59.1	128.6	-179.4	-57.2	0	0	0	0	113.1	T59 H60 N158 G161 E186	S57-T59 PolarHBondContact O-N 2.7Å; S57-H60 PolarHBondContact O-N 2.88Å; S57-N158 CarbonylContact C-O 3.52Å; S57-N158 WeakPolarHBondContact CA-O 3.45Å; S57-G161 PolarHBondContact OG-N 3.03Å; S57-E186 WeakPolarHBondContact CB-OE2 3.47Å; S57-E186 PolarHBondContact N-OE1 3.47Å; S57-E186 VanDerWaalsContact OG-CD 3.24Å; S57-E186 PolarHBondContact OG-OE1 2.99Å; S57-E186 VanDerWaalsContact OG-OE1 3.11Å; S57-E186 PolarHBondContact OG-OE2 2.03Å
58	A	61.6	Low	53.7	Low	18 Å²	18	65.8 Å²	65.8	15%	0.149	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.1	176.8	0	0	0	0	0	113.3	L56 H60 K61 C140 N158	L56-A58 PolarHBondContact O-N 3.42Å; A58-H60 VanDerWaalsContact C-N 3.3Å; A58-H60 PolarHBondContact O-N 2.88Å; A58-K61 WeakPolarHBondContact O-CB 3.44Å; A58-K61 PolarHBondContact O-N 2.85Å; A58-C140 VanDerWaalsContact CB-SG 3.53Å; A58-N158 PolarHBondContact N-O 3.24Å
59	T	53.6	Low	52	Low	60 Å²	60	71.6 Å²	71.6	37%	0.368	34%	0.341	S	S	.	.	H	α-helix	trans	-56.4	-38.4	-179.3	50.5	0	0	0	0	113.2	S57 K61 Q62 Q183	S57-T59 PolarHBondContact O-N 2.7Å; T59-K61 PolarHBondContact O-N 2.73Å; T59-Q62 WeakPolarHBondContact O-CB 3.19Å; T59-Q62 PolarHBondContact O-N 3.18Å; T59-Q183 PolarHBondContact OG1-OE1 2.61Å
60	H	44.1	Very low	50.3	Low	27 Å²	27	74.4 Å²	74.4	13%	0.125	36%	0.359	C	S	.	.	H	α-helix	trans	-64.5	-25.8	177.8	-77.9	-64.5	0	0	0	113.6	L55 S57 A58 Q62 R63 V64 Q183 E186	L55-H60 HydrophobicContact CD1-CB 4.38Å; L55-H60 HydrophobicContact CD2-CB 4.32Å; S57-H60 PolarHBondContact O-N 2.88Å; A58-H60 VanDerWaalsContact C-N 3.3Å; A58-H60 PolarHBondContact O-N 2.88Å; H60-Q62 PolarHBondContact O-N 2.72Å; H60-R63 PolarHBondContact O-N 3.25Å; H60-R63 VanDerWaalsContact O-N 3.1Å; H60-V64 PolarHBondContact O-N 2.92Å; H60-Q183 PolarHBondContact CE1-O 2.92Å; H60-Q183 PolarHBondContact NE2-O 2.89Å; H60-E186 IonicContact CD2-OE2 3.95Å; H60-E186 IonicContact NE2-OE2 3.76Å
61	K	42.5	Very low	48.7	Very low	106 Å²	106	77.7 Å²	77.7	46%	0.461	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-24.2	174.2	-61.1	179.9	179.7	174.1	0	112.3	A58 T59 V64 L77	A58-K61 WeakPolarHBondContact O-CB 3.44Å; A58-K61 PolarHBondContact O-N 2.85Å; T59-K61 PolarHBondContact O-N 2.73Å; K61-V64 CarbonylContact O-C 3.59Å; K61-V64 PolarHBondContact O-N 2.78Å; K61-L77 VanDerWaalsContact NZ-CD2 3.29Å
62	Q	37.6	Very low	47.1	Very low	176 Å²	176	75 Å²	75	82%	0.822	38%	0.381	S	S	*	.	H	α-helix	trans	-72.6	-31	172.4	-69	-165.1	-3.1	0	0	113.2	T59 H60 V64	T59-Q62 WeakPolarHBondContact O-CB 3.19Å; T59-Q62 PolarHBondContact O-N 3.18Å; H60-Q62 PolarHBondContact O-N 2.72Å; Q62-V64 VanDerWaalsContact C-N 3.31Å
63	R	34	Very low	45.3	Very low	185 Å²	185	74.8 Å²	74.8	70%	0.698	38%	0.382	S	S	*	.	H	α-helix	trans	-76.2	-16.9	173.3	-82.6	-177.2	174.3	164.3	0.3	112.6	H60 E184	H60-R63 PolarHBondContact O-N 3.25Å; H60-R63 VanDerWaalsContact O-N 3.1Å; R63-E184 IonicContact CZ-OE1 3.86Å; R63-E184 IonicContact NH1-OE1 3.61Å; R63-E184 PolarHBondContact NH1-OE1 2.87Å; R63-E184 IonicContact NH2-OE1 3.89Å; R63-E184 PolarHBondContact NH2-OE1 3.46Å
64	V	37.8	Very low	43.8	Very low	106 Å²	106	78.4 Å²	78.4	64%	0.642	40%	0.397	S	S	*	.	S	Bend	trans	-131.8	61	-172.8	-162.3	0	0	0	0	113.7	H60 K61 Q62	H60-V64 PolarHBondContact O-N 2.92Å; K61-V64 CarbonylContact O-C 3.59Å; K61-V64 PolarHBondContact O-N 2.78Å; Q62-V64 VanDerWaalsContact C-N 3.31Å
65	R	30.3	Very low	43.1	Very low	133 Å²	133	81.6 Å²	81.6	50%	0.502	41%	0.412	S	S	.	.			trans	-150.7	78.1	153.7	-134.8	171.4	-178.9	-171.6	1	116.2	F69	R65-F69 VanDerWaalsContact NH2-N 3.12Å
66	R	25.3	Very low	42.6	Very low	166 Å²	166	84.2 Å²	84.2	63%	0.626	42%	0.419	S	S	*	.				-100.6	147.9	113.2	-80.1	-163.4	-142.1	157.8	12.8	107.7	F569	R66-F569 VanDerWaalsContact NH2-CE1 3.33Å
67	D	29.1	Very low	42.9	Very low	94 Å²	94	85 Å²	85	50%	0.503	42%	0.423	S	S	.	.	S	Bend	cis	-114.9	-168.2	-0.6	-99.1	-33.9	0	0	0	111.3	R677	D67-R677 IonicContact OD2-CZ 3.11Å; D67-R677 IonicContact OD2-NH1 2.68Å; D67-R677 IonicContact OD2-NH2 1.94Å; D67-R677 PolarHBondContact OD2-NH2 3.45Å
68	A	30.3	Very low	43.1	Very low	68 Å²	68	85.3 Å²	85.3	56%	0.562	42%	0.424	S	S	*	.			trans	-55.4	152.3	-166.1	0	0	0	0	0	116.2
69	F	29.9	Very low	44.2	Very low	123 Å²	123	84.7 Å²	84.7	54%	0.539	42%	0.418	S	S	.	.				-163.8	161.1	105	-93.1	-44.6	0	0	0	110.5	R65	R65-F69 VanDerWaalsContact NH2-N 3.12Å
70	P	30	Very low	45.5	Very low	59 Å²	59	82 Å²	82	38%	0.383	40%	0.401	S	S	.	.			trans	-92.1	-174.3	-132	-13.6	31.8	0	0	0	119.2	N471	P70-N471 WeakPolarHBondContact CB-OD1 3.34Å; P70-N471 WeakPolarHBondContact CD-OD1 3.04Å; P70-N471 WeakPolarHBondContact CG-OD1 3.36Å; P70-N471 PolarHBondContact O-ND2 3.07Å
71	S	33.8	Very low	47.4	Very low	86 Å²	86	80.7 Å²	80.7	60%	0.601	40%	0.395	S	S	*	.	S	Bend	trans	-70.9	132.3	172.5	50.8	0	0	0	0	113.1	N471	S71-N471 PolarHBondContact O-ND2 3.4Å
72	G	38.5	Very low	49.2	Very low	27 Å²	27	79.4 Å²	79.4	28%	0.278	40%	0.396	S	S	.	.			trans	155.9	-22.9	168.6	0	0	0	0	0	115.2	E466 L467 P468 N471	G72-E466 VanDerWaalsContact CA-O 3.25Å; G72-E466 WeakPolarHBondContact CA-O 3.43Å; G72-L467 CarbonylContact O-C 3.6Å; G72-P468 WeakPolarHBondContact O-CA 3.47Å; G72-N471 PolarHBondContact N-ND2 2.77Å
73	S	31.3	Very low	50.9	Low	21 Å²	21	71 Å²	71	15%	0.147	36%	0.357	C	S	.	.	S	Bend	trans	-94.2	131	178.2	60.8	0	0	0	0	112.2	Q75 Y472	S73-Q75 PolarHBondContact O-N 2.85Å; S73-Q75 VanDerWaalsContact O-N 3.12Å; S73-Y472 VanDerWaalsContact OG-CE2 3.28Å; S73-Y472 WeakPolarHBondContact OG-CE2 3.42Å
74	E	45.4	Very low	52.7	Low	98 Å²	98	64.7 Å²	64.7	46%	0.458	34%	0.335	S	S	.	.			trans	-42.4	119.7	147.1	-62.1	173	-177.9	0	0	107.7	R76	E74-R76 HydrophobicContact CB-CG 4.28Å; E74-R76 PolarHBondContact O-N 3.23Å; E74-R76 IonicContact OE1-NH2 3.42Å; E74-R76 IonicContact OE2-CZ 2.64Å; E74-R76 IonicContact OE2-NE 2.41Å; E74-R76 PolarHBondContact OE2-NE 2.98Å; E74-R76 IonicContact OE2-NH2 3.09Å; E74-R76 PolarHBondContact OE2-NH2 2.06Å
75	Q	53.5	Low	54	Low	110 Å²	110	63.8 Å²	63.8	51%	0.514	35%	0.347	S	S	.	.			trans	-75.4	74.6	-175	-69.8	-170.2	28.5	0	0	110.5	S73 L77 P94 F142	S73-Q75 PolarHBondContact O-N 2.85Å; S73-Q75 VanDerWaalsContact O-N 3.12Å; Q75-L77 PolarHBondContact O-N 2.73Å; Q75-P94 HydrophobicContact CB-CG 3.88Å; Q75-P94 WeakPolarHBondContact O-CD 3.27Å; Q75-F142 WeakPolarHBondContact O-CE1 3.26Å
76	R	62.8	Low	55.9	Low	100 Å²	100	60.5 Å²	60.5	38%	0.377	34%	0.336	S	S	.	.			trans	-68.1	104.8	179.7	-63	-166.4	-177.2	-165.1	2.3	109	E74 F78 L92 R93	E74-R76 HydrophobicContact CB-CG 4.28Å; E74-R76 PolarHBondContact O-N 3.23Å; E74-R76 IonicContact OE1-NH2 3.42Å; E74-R76 IonicContact OE2-CZ 2.64Å; E74-R76 IonicContact OE2-NE 2.41Å; E74-R76 PolarHBondContact OE2-NE 2.98Å; E74-R76 IonicContact OE2-NH2 3.09Å; E74-R76 PolarHBondContact OE2-NH2 2.06Å; R76-F78 HydrophobicContact CB-CD2 4.27Å; R76-F78 HydrophobicContact CB-CE2 3.53Å; R76-F78 HydrophobicContact CB-CZ 4.16Å; R76-F78 VanDerWaalsContact O-CD2 3.29Å; R76-F78 WeakPolarHBondContact O-CD2 3.04Å; R76-F78 WeakPolarHBondContact O-CE2 3.33Å; R76-L92 CarbonylContact C-O 3.53Å; R76-L92 WeakPolarHBondContact CA-O 3.27Å; R76-L92 WeakPolarHBondContact CB-O 3.32Å; R76-R93 HydrophobicContact CG-CB 4.04Å
77	L	76.8	Confident	58.4	Low	21 Å²	21	57.8 Å²	57.8	11%	0.11	33%	0.33	C	S	.	.			trans	-89.4	143.1	172	-59.5	-169.4	0	0	0	107.9	K61 Q75 F79 L92 F142	K61-L77 VanDerWaalsContact NZ-CD2 3.29Å; Q75-L77 PolarHBondContact O-N 2.73Å; L77-F79 HydrophobicContact CB-CE2 3.76Å; L77-F79 HydrophobicContact CB-CZ 4.27Å; L77-F79 HydrophobicContact CD1-CE2 4.12Å; L77-F79 HydrophobicContact CD1-CZ 4.12Å; L77-L92 PolarHBondContact N-O 2.88Å; L77-L92 VanDerWaalsContact N-O 3.16Å; L77-L92 CarbonylContact O-C 3.58Å; L77-L92 VanDerWaalsContact O-CA 3.24Å; L77-L92 WeakPolarHBondContact O-CA 2.98Å; L77-L92 WeakPolarHBondContact O-CB 3.4Å; L77-L92 PolarHBondContact O-N 2.93Å; L77-L92 VanDerWaalsContact O-O 3.04Å; L77-F142 HydrophobicContact CB-CD1 4.31Å; L77-F142 HydrophobicContact CB-CE1 4.34Å; L77-F142 HydrophobicContact CD1-CD1 4.13Å; L77-F142 HydrophobicContact CD1-CD2 4.12Å; L77-F142 HydrophobicContact CD1-CE1 3.6Å; L77-F142 HydrophobicContact CD1-CE2 3.58Å; L77-F142 HydrophobicContact CD1-CG 4.42Å; L77-F142 HydrophobicContact CD1-CZ 3.32Å; L77-F142 HydrophobicContact CG-CD1 3.99Å; L77-F142 HydrophobicContact CG-CE1 3.54Å; L77-F142 HydrophobicContact CG-CE2 4.42Å; L77-F142 HydrophobicContact CG-CZ 3.82Å
78	F	78	Confident	60.9	Low	8 Å²	8	53.7 Å²	53.7	4%	0.035	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.8	174.9	-51.1	-134.8	0	0	0	107.9	T45 D46 R76 H89 L90 R91	T45-F78 CarbonylContact C-O 3.55Å; T45-F78 VanDerWaalsContact C-O 3.26Å; T45-F78 WeakPolarHBondContact CA-O 3.34Å; T45-F78 PolarHBondContact N-O 2.86Å; T45-F78 CarbonylContact O-C 3.5Å; T45-F78 PolarHBondContact O-N 2.64Å; T45-F78 WeakPolarHBondContact OG1-CB 3.06Å; T45-F78 PolarHBondContact OG1-O 2.64Å; D46-F78 VanDerWaalsContact C-CD2 3.45Å; D46-F78 VanDerWaalsContact CA-CB 3.47Å; D46-F78 HydrophobicContact CB-CD2 3.88Å; D46-F78 HydrophobicContact CB-CE2 4.12Å; D46-F78 HydrophobicContact CB-CG 4.48Å; D46-F78 WeakPolarHBondContact O-CB 3.28Å; D46-F78 VanDerWaalsContact O-CD1 3.28Å; D46-F78 WeakPolarHBondContact O-CD1 3.33Å; D46-F78 WeakPolarHBondContact O-CG 3.39Å; R76-F78 HydrophobicContact CB-CD2 4.27Å; R76-F78 HydrophobicContact CB-CE2 3.53Å; R76-F78 HydrophobicContact CB-CZ 4.16Å; R76-F78 VanDerWaalsContact O-CD2 3.29Å; R76-F78 WeakPolarHBondContact O-CD2 3.04Å; R76-F78 WeakPolarHBondContact O-CE2 3.33Å; F78-H89 WeakPolarHBondContact CB-NE2 3.48Å; F78-H89 AromaticContact CD1-NE2 3.93Å; F78-H89 AromaticContact CG-NE2 3.91Å; F78-L90 CarbonylContact C-O 3.55Å; F78-L90 WeakPolarHBondContact CA-O 3.41Å; F78-L90 WeakPolarHBondContact CB-O 3.3Å; F78-R91 VanDerWaalsContact CD1-CA 3.42Å; F78-R91 HydrophobicContact CD1-CB 3.53Å; F78-R91 HydrophobicContact CD1-CG 3.82Å; F78-R91 HydrophobicContact CE1-CB 3.5Å; F78-R91 VanDerWaalsContact CE1-CB 3.5Å; F78-R91 VanDerWaalsContact CE1-CD 3.48Å; F78-R91 HydrophobicContact CE1-CG 3.28Å; F78-R91 HydrophobicContact CG-CB 4.45Å; F78-R91 HydrophobicContact CZ-CB 4.42Å; F78-R91 HydrophobicContact CZ-CG 3.77Å
79	F	83.9	Confident	63.4	Low	5 Å²	5	50.5 Å²	50.5	2%	0.022	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.1	177.5	-65.1	-81	0	0	0	109.6	T45 L56 L77 H89 L90 L92 N158 L162	T45-F79 VanDerWaalsContact OG1-C 3.32Å; T45-F79 WeakPolarHBondContact OG1-CA 3Å; T45-F79 PolarHBondContact OG1-N 2.75Å; L56-F79 HydrophobicContact CB-CE1 4.32Å; L56-F79 HydrophobicContact CD2-CD1 3.56Å; L56-F79 HydrophobicContact CD2-CE1 3.69Å; L77-F79 HydrophobicContact CB-CE2 3.76Å; L77-F79 HydrophobicContact CB-CZ 4.27Å; L77-F79 HydrophobicContact CD1-CE2 4.12Å; L77-F79 HydrophobicContact CD1-CZ 4.12Å; F79-H89 PolarHBondContact O-CE1 3Å; F79-L90 HydrophobicContact CB-CD1 4.33Å; F79-L90 PolarHBondContact N-O 2.91Å; F79-L90 VanDerWaalsContact N-O 3.1Å; F79-L90 PolarHBondContact O-N 2.97Å; F79-L92 HydrophobicContact CD2-CD1 3.73Å; F79-L92 HydrophobicContact CE2-CD1 4.02Å; F79-N158 HydrophobicContact CZ-CB 4.27Å; F79-L162 HydrophobicContact CB-CD1 3.71Å; F79-L162 HydrophobicContact CD1-CD1 3.8Å; F79-L162 HydrophobicContact CD1-CD2 3.74Å; F79-L162 HydrophobicContact CD1-CG 4.24Å; F79-L162 HydrophobicContact CD2-CD1 4.41Å; F79-L162 HydrophobicContact CD2-CD2 3.83Å; F79-L162 HydrophobicContact CE1-CD2 3.72Å; F79-L162 HydrophobicContact CE2-CD2 3.79Å; F79-L162 HydrophobicContact CG-CD1 3.7Å; F79-L162 HydrophobicContact CG-CD2 3.79Å; F79-L162 HydrophobicContact CG-CG 4.38Å; F79-L162 HydrophobicContact CZ-CD2 3.74Å
80	N	81.3	Confident	65.8	Low	2 Å²	2	44.6 Å²	44.6	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.6	176.4	-170.5	7	0	0	0	110.1	F43 T45 G49 E87 F88 K515	F43-N80 HydrophobicContact CD2-CB 3.9Å; F43-N80 HydrophobicContact CE2-CB 3.46Å; F43-N80 VanDerWaalsContact CE2-CB 3.46Å; F43-N80 WeakPolarHBondContact CE2-ND2 3.48Å; F43-N80 HydrophobicContact CZ-CB 3.92Å; F43-N80 PolarHBondContact N-O 2.03Å; F43-N80 PolarHBondContact O-N 2.94Å; F43-N80 VanDerWaalsContact O-N 3.09Å; T45-N80 HydrophobicContact CG2-CB 3.69Å; G49-N80 PolarHBondContact O-ND2 2.61Å; N80-E87 PolarHBondContact ND2-OE1 2.83Å; N80-E87 WeakPolarHBondContact OD1-CG 3.4Å; N80-F88 WeakPolarHBondContact CA-O 3.33Å; N80-F88 PolarHBondContact OD1-O 2.03Å; N80-K515 PolarHBondContact ND2-NZ 3.45Å; N80-K515 VanDerWaalsContact ND2-NZ 3.13Å
81	I	84.3	Confident	68.3	Low	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	102.4	-169.9	-59.8	172.9	0	0	0	107.4	V40 P42 A83 F88 L90 L162 I166 I175 V194	V40-I81 HydrophobicContact CG2-CG2 4.23Å; P42-I81 HydrophobicContact CB-CG1 3.95Å; I81-A83 HydrophobicContact CG2-CB 4.3Å; I81-A83 PolarHBondContact O-N 3.48Å; I81-F88 HydrophobicContact CB-CB 4.36Å; I81-F88 HydrophobicContact CG2-CD2 4.48Å; I81-F88 PolarHBondContact N-O 3.37Å; I81-F88 WeakPolarHBondContact O-CD2 3.11Å; I81-F88 PolarHBondContact O-N 3.24Å; I81-L90 HydrophobicContact CD1-CD1 3.4Å; I81-L90 HydrophobicContact CD1-CG 4.12Å; I81-L90 HydrophobicContact CG1-CD1 4.38Å; I81-L162 HydrophobicContact CD1-CD1 4.15Å; I81-L162 HydrophobicContact CG1-CD1 4.4Å; I81-I166 HydrophobicContact CD1-CD1 3.51Å; I81-I175 HydrophobicContact CD1-CD1 3.67Å; I81-I175 HydrophobicContact CD1-CG2 4.48Å; I81-I175 HydrophobicContact CG1-CD1 4.14Å; I81-I175 HydrophobicContact CG2-CD1 4.19Å; I81-V194 HydrophobicContact CG2-CG2 3.82Å
82	T	79.3	Confident	70.5	Confident	79 Å²	79	40.6 Å²	40.6	49%	0.485	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	84.5	-177	-31.2	0	0	0	0	110	V40 K86 E87	V40-T82 WeakPolarHBondContact CG1-O 3.23Å; T82-K86 CarbonylContact C-O 3.35Å; T82-K86 WeakPolarHBondContact CA-O 3.42Å; T82-E87 HydrophobicContact CG2-CB 4.43Å
83	A	74.4	Confident	72.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.7	-174.4	0	0	0	0	0	112.1	V40 I81 G85 K86 F88 V194	V40-A83 HydrophobicContact CG1-CB 3.93Å; I81-A83 HydrophobicContact CG2-CB 4.3Å; I81-A83 PolarHBondContact O-N 3.48Å; A83-G85 PolarHBondContact O-N 3.43Å; A83-G85 VanDerWaalsContact O-N 3.11Å; A83-K86 PolarHBondContact N-O 2.87Å; A83-K86 PolarHBondContact O-N 3.21Å; A83-K86 VanDerWaalsContact O-O 3.06Å; A83-F88 HydrophobicContact CB-CD2 4.46Å; A83-F88 HydrophobicContact CB-CE2 4.13Å; A83-V194 HydrophobicContact CB-CB 4Å; A83-V194 HydrophobicContact CB-CG1 3.82Å; A83-V194 HydrophobicContact CB-CG2 4.3Å
84	F	70.9	Confident	74.7	Confident	52 Å²	52	44.2 Å²	44.2	23%	0.228	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	29.5	177.6	-50.6	-74.3	0	0	0	115.3	K35 E36 K86 Y173 V194 R196	K35-F84 WeakPolarHBondContact O-CD1 3.07Å; K35-F84 VanDerWaalsContact O-CE1 3.24Å; K35-F84 WeakPolarHBondContact O-CE1 3.31Å; E36-F84 VanDerWaalsContact C-CE1 3.45Å; E36-F84 WeakPolarHBondContact O-CE1 3.47Å; E36-F84 WeakPolarHBondContact O-CZ 3.5Å; F84-K86 PolarHBondContact O-N 2.89Å; F84-Y173 AromaticContact CD2-CD1 3.75Å; F84-Y173 HydrophobicContact CD2-CD1 3.75Å; F84-Y173 AromaticContact CD2-CE1 3.45Å; F84-Y173 HydrophobicContact CD2-CE1 3.45Å; F84-Y173 VanDerWaalsContact CD2-CE1 3.45Å; F84-Y173 AromaticContact CE2-CD1 3.75Å; F84-Y173 HydrophobicContact CE2-CD1 3.75Å; F84-Y173 AromaticContact CE2-CE1 3.89Å; F84-Y173 HydrophobicContact CE2-CE1 3.89Å; F84-Y173 HydrophobicContact CG-CE1 4.33Å; F84-V194 HydrophobicContact CE2-CG1 4.07Å; F84-V194 VanDerWaalsContact CZ-O 3.29Å; F84-V194 WeakPolarHBondContact CZ-O 3.31Å; F84-R196 HydrophobicContact CD2-CG 4.41Å; F84-R196 HydrophobicContact CE2-CG 4.09Å; F84-R196 HydrophobicContact CZ-CG 4.25Å
85	G	64.9	Low	76.1	Confident	86 Å²	86	40 Å²	40	89%	0.887	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	3.3	-176.3	0	0	0	0	0	115	A83	A83-G85 PolarHBondContact O-N 3.43Å; A83-G85 VanDerWaalsContact O-N 3.11Å
86	K	71.3	Confident	76.8	Confident	65 Å²	65	40.1 Å²	40.1	28%	0.283	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147.7	168.9	-65.1	179.1	-174.2	172.9	0	109.2	T82 A83 F84 F88 S170 D171 Y173	T82-K86 CarbonylContact C-O 3.35Å; T82-K86 WeakPolarHBondContact CA-O 3.42Å; A83-K86 PolarHBondContact N-O 2.87Å; A83-K86 PolarHBondContact O-N 3.21Å; A83-K86 VanDerWaalsContact O-O 3.06Å; F84-K86 PolarHBondContact O-N 2.89Å; K86-F88 HydrophobicContact CB-CE1 3.74Å; K86-F88 HydrophobicContact CB-CE2 4.02Å; K86-F88 HydrophobicContact CB-CZ 3.45Å; K86-F88 VanDerWaalsContact CB-CZ 3.45Å; K86-F88 HydrophobicContact CD-CE1 3.83Å; K86-F88 HydrophobicContact CD-CZ 3.65Å; K86-F88 HydrophobicContact CG-CE1 4.43Å; K86-F88 HydrophobicContact CG-CZ 4.18Å; K86-S170 PolarHBondContact NZ-OG 3.38Å; K86-D171 IonicContact NZ-OD2 3.6Å; K86-D171 PolarHBondContact NZ-OD2 3.32Å; K86-Y173 WeakPolarHBondContact CD-OH 3.09Å; K86-Y173 WeakPolarHBondContact CE-OH 3.49Å; K86-Y173 PolarHBondContact NZ-OH 3.11Å
87	E	77.8	Confident	77.2	Confident	108 Å²	108	40.3 Å²	40.3	51%	0.505	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	99.3	176.9	-172.7	-178.2	160.4	0	0	108.7	N80 T82 H89 K515	N80-E87 PolarHBondContact ND2-OE1 2.83Å; N80-E87 WeakPolarHBondContact OD1-CG 3.4Å; T82-E87 HydrophobicContact CG2-CB 4.43Å; E87-H89 PolarHBondContact O-N 3.33Å; E87-K515 WeakPolarHBondContact OE1-CE 3.4Å; E87-K515 IonicContact OE1-NZ 2.63Å; E87-K515 PolarHBondContact OE1-NZ 3.16Å
88	F	80.9	Confident	77.3	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	107.1	-179	-54.2	-63.8	0	0	0	110.1	N80 I81 A83 K86 L90 I146 I166 T168 Y173	N80-F88 WeakPolarHBondContact CA-O 3.33Å; N80-F88 PolarHBondContact OD1-O 2.03Å; I81-F88 HydrophobicContact CB-CB 4.36Å; I81-F88 HydrophobicContact CG2-CD2 4.48Å; I81-F88 PolarHBondContact N-O 3.37Å; I81-F88 WeakPolarHBondContact O-CD2 3.11Å; I81-F88 PolarHBondContact O-N 3.24Å; A83-F88 HydrophobicContact CB-CD2 4.46Å; A83-F88 HydrophobicContact CB-CE2 4.13Å; K86-F88 HydrophobicContact CB-CE1 3.74Å; K86-F88 HydrophobicContact CB-CE2 4.02Å; K86-F88 HydrophobicContact CB-CZ 3.45Å; K86-F88 VanDerWaalsContact CB-CZ 3.45Å; K86-F88 HydrophobicContact CD-CE1 3.83Å; K86-F88 HydrophobicContact CD-CZ 3.65Å; K86-F88 HydrophobicContact CG-CE1 4.43Å; K86-F88 HydrophobicContact CG-CZ 4.18Å; F88-L90 HydrophobicContact CB-CD2 3.95Å; F88-I146 HydrophobicContact CD1-CD1 4.14Å; F88-I166 HydrophobicContact CB-CG2 4.44Å; F88-I166 HydrophobicContact CG-CG2 4.36Å; F88-T168 HydrophobicContact CD1-CG2 4.26Å; F88-T168 HydrophobicContact CE1-CG2 3.84Å; F88-Y173 HydrophobicContact CE1-CD2 4.2Å; F88-Y173 AromaticContact CE1-CE2 3.71Å; F88-Y173 HydrophobicContact CE1-CE2 3.71Å; F88-Y173 HydrophobicContact CE2-CD1 4.45Å; F88-Y173 AromaticContact CE2-CD2 3.97Å; F88-Y173 HydrophobicContact CE2-CD2 3.97Å; F88-Y173 HydrophobicContact CE2-CE1 4.37Å; F88-Y173 AromaticContact CE2-CE2 3.88Å; F88-Y173 HydrophobicContact CE2-CE2 3.88Å; F88-Y173 HydrophobicContact CE2-CG 4.25Å; F88-Y173 AromaticContact CZ-CD2 3.64Å; F88-Y173 HydrophobicContact CZ-CD2 3.64Å; F88-Y173 HydrophobicContact CZ-CE1 4.17Å; F88-Y173 AromaticContact CZ-CE2 3.14Å; F88-Y173 HydrophobicContact CZ-CE2 3.14Å; F88-Y173 HydrophobicContact CZ-CG 4.32Å; F88-Y173 AromaticContact CZ-CZ 3.44Å; F88-Y173 VanDerWaalsContact CZ-CZ 3.44Å
89	H	82.3	Confident	77.3	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	102.8	169.5	-168.7	46.8	0	0	0	110.6	T45 D46 G49 F78 F79 E87 I146 T147 K515	T45-H89 WeakPolarHBondContact CB-NE2 3.03Å; T45-H89 PolarHBondContact OG1-CE1 3.03Å; T45-H89 PolarHBondContact OG1-ND1 2.85Å; T45-H89 PolarHBondContact OG1-NE2 3.19Å; D46-H89 PolarHBondContact O-NE2 3.25Å; G49-H89 WeakPolarHBondContact CA-NE2 3.22Å; F78-H89 WeakPolarHBondContact CB-NE2 3.48Å; F78-H89 AromaticContact CD1-NE2 3.93Å; F78-H89 AromaticContact CG-NE2 3.91Å; F79-H89 PolarHBondContact O-CE1 3Å; E87-H89 PolarHBondContact O-N 3.33Å; H89-I146 WeakPolarHBondContact O-CA 3.45Å; H89-I146 WeakPolarHBondContact O-CG2 3.48Å; H89-T147 PolarHBondContact CD2-OG1 2.76Å; H89-T147 VanDerWaalsContact CD2-OG1 3.28Å; H89-T147 PolarHBondContact O-N 2.87Å; H89-K515 HydrophobicContact CB-CD 3.52Å; H89-K515 WeakPolarHBondContact CD2-CD 3.28Å
90	L	81.2	Confident	77	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.4	-178.1	-44.4	-176.8	0	0	0	108.7	F78 F79 I81 F88 L92 I146 V154 I156 I166	F78-L90 CarbonylContact C-O 3.55Å; F78-L90 WeakPolarHBondContact CA-O 3.41Å; F78-L90 WeakPolarHBondContact CB-O 3.3Å; F79-L90 HydrophobicContact CB-CD1 4.33Å; F79-L90 PolarHBondContact N-O 2.91Å; F79-L90 VanDerWaalsContact N-O 3.1Å; F79-L90 PolarHBondContact O-N 2.97Å; I81-L90 HydrophobicContact CD1-CD1 3.4Å; I81-L90 HydrophobicContact CD1-CG 4.12Å; I81-L90 HydrophobicContact CG1-CD1 4.38Å; F88-L90 HydrophobicContact CB-CD2 3.95Å; L90-L92 HydrophobicContact CB-CD2 3.84Å; L90-L92 HydrophobicContact CB-CG 4.2Å; L90-I146 HydrophobicContact CD2-CD1 4.42Å; L90-I146 HydrophobicContact CD2-CG1 4.14Å; L90-V154 HydrophobicContact CB-CG1 4.27Å; L90-V154 HydrophobicContact CD1-CG1 3.84Å; L90-V154 HydrophobicContact CD2-CG1 3.99Å; L90-V154 HydrophobicContact CD2-CG2 3.94Å; L90-V154 HydrophobicContact CG-CG1 4.25Å; L90-I156 HydrophobicContact CD1-CD1 3.38Å; L90-I166 HydrophobicContact CD1-CD1 4.1Å; L90-I166 HydrophobicContact CD1-CG1 4.09Å; L90-I166 HydrophobicContact CD2-CB 4.44Å; L90-I166 HydrophobicContact CD2-CD1 4.11Å; L90-I166 HydrophobicContact CD2-CG1 3.9Å; L90-I166 HydrophobicContact CD2-CG2 3.69Å
91	R	81.4	Confident	76.1	Confident	61 Å²	61	43.4 Å²	43.4	23%	0.23	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	98.7	167.1	170.2	165.8	68.2	-159.7	0.4	108.5	F78 G144 D145 T147 K516	F78-R91 VanDerWaalsContact CD1-CA 3.42Å; F78-R91 HydrophobicContact CD1-CB 3.53Å; F78-R91 HydrophobicContact CD1-CG 3.82Å; F78-R91 HydrophobicContact CE1-CB 3.5Å; F78-R91 VanDerWaalsContact CE1-CB 3.5Å; F78-R91 VanDerWaalsContact CE1-CD 3.48Å; F78-R91 HydrophobicContact CE1-CG 3.28Å; F78-R91 HydrophobicContact CG-CB 4.45Å; F78-R91 HydrophobicContact CZ-CB 4.42Å; F78-R91 HydrophobicContact CZ-CG 3.77Å; R91-G144 CarbonylContact O-C 3.51Å; R91-G144 WeakPolarHBondContact O-CA 3.08Å; R91-D145 IonicContact CZ-OD1 2.69Å; R91-D145 IonicContact CZ-OD2 2.67Å; R91-D145 PolarHBondContact N-O 2.8Å; R91-D145 IonicContact NE-OD1 2.75Å; R91-D145 PolarHBondContact NE-OD1 2.85Å; R91-D145 IonicContact NE-OD2 3.31Å; R91-D145 PolarHBondContact NE-OD2 3.07Å; R91-D145 IonicContact NH2-OD1 2.68Å; R91-D145 PolarHBondContact NH2-OD1 3.19Å; R91-D145 IonicContact NH2-OD2 3.12Å; R91-D145 PolarHBondContact NH2-OD2 2.95Å; R91-D145 PolarHBondContact O-N 3.02Å; R91-T147 HydrophobicContact CB-CG2 3.94Å; R91-K516 PolarHBondContact NH1-O 2.89Å
92	L	80.8	Confident	75.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	152.8	178.3	-38.2	178	0	0	0	110.9	R76 L77 F79 L90 F142 I143 V154 I156	R76-L92 CarbonylContact C-O 3.53Å; R76-L92 WeakPolarHBondContact CA-O 3.27Å; R76-L92 WeakPolarHBondContact CB-O 3.32Å; L77-L92 PolarHBondContact N-O 2.88Å; L77-L92 VanDerWaalsContact N-O 3.16Å; L77-L92 CarbonylContact O-C 3.58Å; L77-L92 VanDerWaalsContact O-CA 3.24Å; L77-L92 WeakPolarHBondContact O-CA 2.98Å; L77-L92 WeakPolarHBondContact O-CB 3.4Å; L77-L92 PolarHBondContact O-N 2.93Å; L77-L92 VanDerWaalsContact O-O 3.04Å; F79-L92 HydrophobicContact CD2-CD1 3.73Å; F79-L92 HydrophobicContact CE2-CD1 4.02Å; L90-L92 HydrophobicContact CB-CD2 3.84Å; L90-L92 HydrophobicContact CB-CG 4.2Å; L92-F142 HydrophobicContact CB-CB 3.63Å; L92-F142 HydrophobicContact CB-CG 4.42Å; L92-F142 HydrophobicContact CD1-CB 3.91Å; L92-F142 HydrophobicContact CG-CB 4.37Å; L92-I143 CarbonylContact C-O 3.53Å; L92-I143 VanDerWaalsContact CA-O 3.29Å; L92-I143 WeakPolarHBondContact CA-O 3.26Å; L92-V154 HydrophobicContact CD2-CB 3.76Å; L92-V154 HydrophobicContact CD2-CG1 3.51Å; L92-I156 HydrophobicContact CD1-CB 4.09Å; L92-I156 HydrophobicContact CD1-CG2 4.2Å
93	R	81.1	Confident	74.8	Confident	103 Å²	103	41.7 Å²	41.7	39%	0.389	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.3	167.7	54.9	173.6	174.4	-173.9	-1	107.8	R76 N95 F142 I143	R76-R93 HydrophobicContact CG-CB 4.04Å; R93-N95 PolarHBondContact O-N 2.78Å; R93-F142 CarbonylContact O-C 3.57Å; R93-F142 WeakPolarHBondContact O-CA 3.44Å; R93-F142 WeakPolarHBondContact O-CB 3.08Å; R93-I143 HydrophobicContact CG-CG1 3.91Å; R93-I143 WeakPolarHBondContact CG-O 3.15Å; R93-I143 PolarHBondContact N-O 3.15Å; R93-I143 PolarHBondContact O-N 3.27Å
94	P	76	Confident	75	Confident	20 Å²	20	43 Å²	43	13%	0.13	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	138	175.9	-18.1	31.4	0	0	0	109.5	Q75 D96 F142	Q75-P94 HydrophobicContact CB-CG 3.88Å; Q75-P94 WeakPolarHBondContact O-CD 3.27Å; P94-D96 WeakPolarHBondContact CB-OD1 3.49Å; P94-D96 PolarHBondContact O-N 3.25Å; P94-D96 VanDerWaalsContact O-N 3.15Å; P94-F142 HydrophobicContact CB-CD1 4.25Å; P94-F142 HydrophobicContact CB-CE1 4.08Å; P94-F142 HydrophobicContact CG-CD1 4.24Å; P94-F142 HydrophobicContact CG-CE1 3.91Å
95	N	75.6	Confident	75.5	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.053	23%	0.226	C	C	.	.			trans	-88.2	67.2	170.4	-160.8	-8.6	0	0	0	109.8	R93 R97 L98 T141 I143 N282 N285	R93-N95 PolarHBondContact O-N 2.78Å; N95-R97 PolarHBondContact O-N 3.47Å; N95-L98 HydrophobicContact CB-CB 4.04Å; N95-L98 WeakPolarHBondContact O-CB 3.47Å; N95-L98 PolarHBondContact O-N 3.05Å; N95-L98 PolarHBondContact OD1-N 3.3Å; N95-T141 PolarHBondContact N-O 3.17Å; N95-I143 HydrophobicContact CB-CD1 4.36Å; N95-I143 HydrophobicContact CB-CG1 4.02Å; N95-I143 HydrophobicContact CB-CG2 3.97Å; N95-I143 VanDerWaalsContact ND2-CG2 3.29Å; N95-I143 WeakPolarHBondContact ND2-CG2 3.39Å; N95-N282 WeakPolarHBondContact CB-OD1 3.34Å; N95-N282 PolarHBondContact ND2-OD1 2.93Å; N95-N285 PolarHBondContact ND2-ND2 2.71Å
96	D	67.6	Low	76.5	Confident	113 Å²	113	36.4 Å²	36.4	60%	0.604	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-5.7	-178.8	-62.2	-39.6	0	0	0	113.1	P94 F457	P94-D96 WeakPolarHBondContact CB-OD1 3.49Å; P94-D96 PolarHBondContact O-N 3.25Å; P94-D96 VanDerWaalsContact O-N 3.15Å; D96-F457 VanDerWaalsContact O-CE1 3.3Å; D96-F457 WeakPolarHBondContact O-CE1 3.16Å
97	R	71.1	Confident	77	Confident	103 Å²	103	35 Å²	35	39%	0.389	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-5.3	174.6	-68	-170.8	-179.9	-132.8	-1.4	114.7	N95 V99 N298 F457	N95-R97 PolarHBondContact O-N 3.47Å; R97-V99 VanDerWaalsContact C-N 3.29Å; R97-V99 PolarHBondContact O-N 3.15Å; R97-N298 WeakPolarHBondContact CD-OD1 3.47Å; R97-F457 VanDerWaalsContact CA-CZ 3.46Å; R97-F457 HydrophobicContact CB-CE2 4.1Å; R97-F457 HydrophobicContact CB-CZ 4.18Å; R97-F457 HydrophobicContact CG-CD2 4.38Å; R97-F457 HydrophobicContact CG-CE2 4.22Å; R97-F457 HydrophobicContact CG-CZ 4.49Å; R97-F457 VanDerWaalsContact O-CZ 3.27Å; R97-F457 WeakPolarHBondContact O-CZ 3.41Å
98	L	78.6	Confident	77.1	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-70.9	-22.8	-178.7	-175	63.4	0	0	0	113.6	N95 T141 M281 N282 N285 L301	N95-L98 HydrophobicContact CB-CB 4.04Å; N95-L98 WeakPolarHBondContact O-CB 3.47Å; N95-L98 PolarHBondContact O-N 3.05Å; N95-L98 PolarHBondContact OD1-N 3.3Å; L98-T141 HydrophobicContact CD2-CG2 3.8Å; L98-M281 HydrophobicContact CD1-CB 4.25Å; L98-N282 HydrophobicContact CD2-CB 3.58Å; L98-N285 HydrophobicContact CD1-CB 4.03Å; L98-L301 WeakPolarHBondContact O-CB 3.47Å; L98-L301 PolarHBondContact O-N 3.48Å
99	V	79.3	Confident	76.6	Confident	8 Å²	8	32.9 Å²	32.9	5%	0.048	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	128.4	-170.1	-177.4	0	0	0	0	109.8	R97 A103 L136 T138 L278 L301 F457	R97-V99 VanDerWaalsContact C-N 3.29Å; R97-V99 PolarHBondContact O-N 3.15Å; V99-A103 HydrophobicContact CG1-CB 3.63Å; V99-L136 HydrophobicContact CG1-CB 3.89Å; V99-L136 HydrophobicContact CG1-CD1 4.2Å; V99-T138 HydrophobicContact CB-CG2 3.64Å; V99-T138 HydrophobicContact CG1-CG2 3.72Å; V99-T138 HydrophobicContact CG2-CG2 4.14Å; V99-L278 HydrophobicContact CG2-CD2 3.93Å; V99-L301 WeakPolarHBondContact CA-O 3.36Å; V99-L301 HydrophobicContact CG2-CB 4.32Å; V99-L301 HydrophobicContact CG2-CD2 4.41Å; V99-F457 WeakPolarHBondContact O-CE1 3.25Å
100	A	76	Confident	75.3	Confident	6 Å²	6	36.8 Å²	36.8	5%	0.05	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	146.4	-176.5	0	0	0	0	0	112.7	G102 A103 V300 L301 V302	A100-G102 PolarHBondContact O-N 3.48Å; A100-A103 HydrophobicContact CB-CB 4.44Å; A100-A103 VanDerWaalsContact O-CB 3.24Å; A100-A103 WeakPolarHBondContact O-CB 3.25Å; A100-A103 PolarHBondContact O-N 3.21Å; A100-V300 HydrophobicContact CB-CG1 4.03Å; A100-L301 PolarHBondContact N-O 2.68Å; A100-V302 HydrophobicContact CB-CG1 3.87Å
101	P	63.8	Low	73.6	Confident	87 Å²	87	41.4 Å²	41.4	57%	0.565	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	105.4	178	-22.5	34.7	0	0	0	112.5	F457	P101-F457 HydrophobicContact CG-CD1 3.94Å; P101-F457 HydrophobicContact CG-CE1 4.24Å
102	G	63.7	Low	71.7	Confident	41 Å²	41	44.9 Å²	44.9	42%	0.423	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	105.6	3.9	-176.9	0	0	0	0	0	115.1	A100 M104	A100-G102 PolarHBondContact O-N 3.48Å; G102-M104 WeakPolarHBondContact O-CG 3.01Å; G102-M104 VanDerWaalsContact O-SD 3.4Å
103	A	73.3	Confident	69.5	Low	2 Å²	2	51.5 Å²	51.5	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	144.4	177.5	0	0	0	0	0	113.2	V99 A100 L136 V302	V99-A103 HydrophobicContact CG1-CB 3.63Å; A100-A103 HydrophobicContact CB-CB 4.44Å; A100-A103 VanDerWaalsContact O-CB 3.24Å; A100-A103 WeakPolarHBondContact O-CB 3.25Å; A100-A103 PolarHBondContact O-N 3.21Å; A103-L136 HydrophobicContact CB-CB 4.29Å; A103-L136 HydrophobicContact CB-CD1 3.63Å; A103-L136 PolarHBondContact O-N 2.75Å; A103-V302 WeakPolarHBondContact CA-O 3.47Å; A103-V302 WeakPolarHBondContact CB-O 3.1Å
104	M	76.9	Confident	67.5	Low	28 Å²	28	55.8 Å²	55.8	14%	0.138	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.9	-169.3	-56.4	-60.9	-68.2	0	0	114	G102 R133 E134 L135 V302 R303 M304	G102-M104 WeakPolarHBondContact O-CG 3.01Å; G102-M104 VanDerWaalsContact O-SD 3.4Å; M104-R133 HydrophobicContact CE-CG 3.68Å; M104-E134 CarbonylContact C-O 3.49Å; M104-E134 VanDerWaalsContact CA-O 3.32Å; M104-E134 WeakPolarHBondContact CA-O 3.25Å; M104-E134 VanDerWaalsContact CE-C 3.42Å; M104-E134 WeakPolarHBondContact CE-O 3.46Å; M104-L135 HydrophobicContact CE-CG 4.3Å; M104-L135 HydrophobicContact SD-CB 4.44Å; M104-L135 HydrophobicContact SD-CD2 3.51Å; M104-L135 VanDerWaalsContact SD-CD2 3.51Å; M104-L135 HydrophobicContact SD-CG 3.75Å; M104-V302 PolarHBondContact N-O 3.38Å; M104-R303 WeakPolarHBondContact O-CA 2.98Å; M104-M304 PolarHBondContact O-N 3.45Å
105	V	82.7	Confident	65.6	Low	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.2	160.8	-169.9	0	0	0	0	109.6	R133 E134 L136 Q274 M304 M306	V105-R133 WeakPolarHBondContact O-CA 3.19Å; V105-E134 PolarHBondContact N-O 3.12Å; V105-E134 PolarHBondContact O-N 2.99Å; V105-L136 HydrophobicContact CG2-CD2 3.45Å; V105-L136 VanDerWaalsContact CG2-CD2 3.45Å; V105-L136 HydrophobicContact CG2-CG 3.62Å; V105-Q274 HydrophobicContact CG2-CG 4.39Å; V105-M304 CarbonylContact C-O 3.3Å; V105-M304 WeakPolarHBondContact CA-O 3.37Å; V105-M304 HydrophobicContact CG1-CG 4.49Å; V105-M304 HydrophobicContact CG1-SD 4.22Å; V105-M304 HydrophobicContact CG2-CB 4.41Å; V105-M304 HydrophobicContact CG2-SD 4.1Å; V105-M306 HydrophobicContact CG1-CE 4.37Å; V105-M306 HydrophobicContact CG1-CG 4.34Å
106	E	85.2	Confident	63.9	Low	1 Å²	1	65 Å²	65	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.3	173.4	-71.5	169.5	-155.9	0	0	112	H108 I130 R133 R303 M304 M306	E106-H108 IonicContact OE2-CD2 2.78Å; E106-H108 IonicContact OE2-CE1 3.16Å; E106-H108 IonicContact OE2-NE2 3.78Å; E106-H108 PolarHBondContact OE2-NE2 3.22Å; E106-I130 HydrophobicContact CB-CG2 4.43Å; E106-I130 HydrophobicContact CG-CG2 4.35Å; E106-R133 HydrophobicContact CG-CB 4.41Å; E106-R133 HydrophobicContact CG-CG 3.8Å; E106-R133 IonicContact OE1-CZ 2.76Å; E106-R133 VanDerWaalsContact OE1-CZ 3.25Å; E106-R133 IonicContact OE1-NE 3.28Å; E106-R133 PolarHBondContact OE1-NE 3.33Å; E106-R133 IonicContact OE1-NH2 2.68Å; E106-R133 PolarHBondContact OE1-NH2 3.36Å; E106-R303 IonicContact OE1-CZ 3.84Å; E106-R303 IonicContact OE1-NE 3.47Å; E106-R303 PolarHBondContact OE1-NE 2.01Å; E106-R303 IonicContact OE1-NH2 2.84Å; E106-R303 PolarHBondContact OE1-NH2 2.83Å; E106-R303 IonicContact OE2-CZ 3.01Å; E106-R303 IonicContact OE2-NE 2.72Å; E106-R303 IonicContact OE2-NH2 3.91Å; E106-R303 PolarHBondContact OE2-NH2 2.94Å; E106-M304 PolarHBondContact N-O 3.41Å; E106-M306 PolarHBondContact O-N 2.81Å
107	W	81.6	Confident	62.3	Low	34 Å²	34	64 Å²	64	13%	0.129	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114	173.5	-63.9	88.4	0	0	0	110.3	L131 Q132 V265 K270 V273 M306	W107-L131 PolarHBondContact O-N 3.44Å; W107-Q132 HydrophobicContact CB-CB 4.32Å; W107-Q132 HydrophobicContact CG-CB 4.42Å; W107-Q132 PolarHBondContact N-O 3.43Å; W107-V265 HydrophobicContact CH2-CG1 4.47Å; W107-V265 HydrophobicContact CZ3-CG1 3.89Å; W107-K270 HydrophobicContact CE3-CD 4.41Å; W107-K270 HydrophobicContact CH2-CB 3.95Å; W107-K270 HydrophobicContact CH2-CG 4.11Å; W107-K270 WeakPolarHBondContact CH2-O 3.06Å; W107-K270 HydrophobicContact CZ3-CB 4.18Å; W107-K270 HydrophobicContact CZ3-CD 3.98Å; W107-K270 HydrophobicContact CZ3-CG 3.82Å; W107-V273 HydrophobicContact CH2-CG1 3.87Å; W107-M306 HydrophobicContact CD2-CB 3.9Å; W107-M306 HydrophobicContact CD2-CG 3.88Å; W107-M306 HydrophobicContact CE3-CB 3.39Å; W107-M306 HydrophobicContact CE3-CG 3.69Å; W107-M306 HydrophobicContact CH2-CB 4.33Å; W107-M306 HydrophobicContact CH2-CE 4.1Å; W107-M306 HydrophobicContact CH2-CG 3.8Å; W107-M306 HydrophobicContact CH2-SD 4.19Å; W107-M306 HydrophobicContact CZ2-CE 4.15Å; W107-M306 HydrophobicContact CZ2-CG 3.99Å; W107-M306 HydrophobicContact CZ3-CB 3.64Å; W107-M306 HydrophobicContact CZ3-CG 3.64Å; W107-M306 HydrophobicContact CZ3-SD 4.29Å
108	H	80.2	Confident	60.8	Low	19 Å²	19	65.8 Å²	65.8	9%	0.088	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.9	-177.8	-71.5	-135.7	0	0	0	109.2	E106 M306 L307 G308	E106-H108 IonicContact OE2-CD2 2.78Å; E106-H108 IonicContact OE2-CE1 3.16Å; E106-H108 IonicContact OE2-NE2 3.78Å; E106-H108 PolarHBondContact OE2-NE2 3.22Å; H108-M306 PolarHBondContact N-O 2.85Å; H108-L307 HydrophobicContact CB-CD2 4.26Å; H108-G308 WeakPolarHBondContact O-CA 3.22Å; H108-G308 PolarHBondContact O-N 3.16Å
109	D	69.4	Low	59	Low	53 Å²	53	70.5 Å²	70.5	28%	0.283	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.6	180	-121.3	-36.8	0	0	0	109.5	L131 K270	D109-L131 HydrophobicContact CB-CD1 3.55Å; D109-L131 HydrophobicContact CB-CG 4.13Å; D109-K270 IonicContact OD2-NZ 3.96Å; D109-K270 PolarHBondContact OD2-NZ 2.69Å
110	E	56.8	Low	57.2	Low	84 Å²	84	73.9 Å²	73.9	39%	0.393	46%	0.457	S	S	.	.			trans	-92.8	107.2	-177.2	-76.2	-179.2	-159.8	0	0	111.3	A310	E110-A310 VanDerWaalsContact OE2-CB 3.28Å; E110-A310 WeakPolarHBondContact OE2-CB 3.08Å
111	V	44.1	Very low	55.1	Low	96 Å²	96	78 Å²	78	58%	0.582	49%	0.491	S	S	*	.			trans	-88.2	110.4	167.5	-179.2	0	0	0	0	108.9	E113	V111-E113 VanDerWaalsContact C-N 3.31Å; V111-E113 HydrophobicContact CG1-CG 4.31Å; V111-E113 PolarHBondContact O-N 3.29Å
112	L	42.8	Very low	53.9	Low	135 Å²	135	82.4 Å²	82.4	71%	0.707	51%	0.51	S	S	*	.			trans	-67.5	89	165.6	-70.4	176.2	0	0	0	109.6	F114	L112-F114 PolarHBondContact O-N 2.94Å
113	E	34.5	Very low	52.5	Low	138 Å²	138	89.7 Å²	89.7	65%	0.645	53%	0.525	S	S	*	.			trans	-64.4	98.3	169.3	-75.1	-165.3	-178.3	0	0	109.5	V111 G115 R129	V111-E113 VanDerWaalsContact C-N 3.31Å; V111-E113 HydrophobicContact CG1-CG 4.31Å; V111-E113 PolarHBondContact O-N 3.29Å; E113-G115 PolarHBondContact O-N 2.79Å; E113-R129 IonicContact OE1-NH1 2.99Å; E113-R129 PolarHBondContact OE1-NH1 2.86Å; E113-R129 VanDerWaalsContact OE1-NH1 3.11Å
114	F	39.3	Very low	50.8	Low	194 Å²	194	96.6 Å²	96.6	85%	0.851	57%	0.567	S	S	*	*			trans	-68.3	66.4	161.8	-85.5	-87.2	0	0	0	110	L112	L112-F114 PolarHBondContact O-N 2.94Å
115	G	34.9	Very low	48.9	Very low	54 Å²	54	100 Å²	100	56%	0.557	59%	0.586	S	S	*	*			trans	-60.5	136.7	167.5	0	0	0	0	0	109.9	E113 A117	E113-G115 PolarHBondContact O-N 2.79Å; G115-A117 VanDerWaalsContact C-N 3.26Å; G115-A117 PolarHBondContact O-N 3.37Å
116	N	40.4	Very low	46.8	Very low	168 Å²	168	103.3 Å²	103.3	90%	0.898	61%	0.613	S	S	*	*			trans	-68.1	83.4	176.9	-87.5	-34.4	0	0	0	110.7	T118	N116-T118 VanDerWaalsContact C-N 3.34Å; N116-T118 PolarHBondContact O-N 2.97Å
117	A	34	Very low	44.8	Very low	94 Å²	94	108.9 Å²	108.9	78%	0.777	65%	0.647	S	S	*	*			trans	-71.4	82.3	-176.3	0	0	0	0	0	112	G115 A119	G115-A117 VanDerWaalsContact C-N 3.26Å; G115-A117 PolarHBondContact O-N 3.37Å; A117-A119 PolarHBondContact O-N 2.75Å; A117-A119 VanDerWaalsContact O-N 3.09Å
118	T	40.4	Very low	43.2	Very low	139 Å²	139	111.4 Å²	111.4	85%	0.853	66%	0.66	S	S	*	*			trans	-70	100	159.9	37.9	0	0	0	0	109.2	N116	N116-T118 VanDerWaalsContact C-N 3.34Å; N116-T118 PolarHBondContact O-N 2.97Å
119	A	39.6	Very low	41.9	Very low	100 Å²	100	117.7 Å²	117.7	83%	0.826	68%	0.683	S	S	*	*	S	Bend	trans	61.6	88.5	167.3	0	0	0	0	0	118.1	A117	A117-A119 PolarHBondContact O-N 2.75Å; A117-A119 VanDerWaalsContact O-N 3.09Å
120	G	41.7	Very low	41.4	Very low	79 Å²	79	119.1 Å²	119.1	81%	0.814	69%	0.69	S	S	*	*				83.9	72.5	121.4	0	0	0	0	0	119.4
121	A	32.3	Very low	41.3	Very low	93 Å²	93	119.8 Å²	119.8	77%	0.769	70%	0.696	S	S	*	*			trans	-144.4	118.4	151.8	0	0	0	0	0	110.3	R123	A121-R123 PolarHBondContact O-N 3.33Å
122	N	39.1	Very low	42.1	Very low	179 Å²	179	119.9 Å²	119.9	96%	0.957	69%	0.69	S	S	*	*			trans	-79.8	82.5	179.7	-80.1	-0.4	0	0	0	111.4
123	R	34	Very low	43.4	Very low	194 Å²	194	118.4 Å²	118.4	73%	0.732	68%	0.675	S	S	*	*			trans	-139.6	102.8	160.2	-97.1	-179.2	166.6	-128.8	3.7	109.8	A121 D125	A121-R123 PolarHBondContact O-N 3.33Å; R123-D125 WeakPolarHBondContact CD-OD2 3.21Å; R123-D125 IonicContact CZ-OD2 2.84Å; R123-D125 IonicContact NE-OD2 2.65Å; R123-D125 IonicContact NH1-OD1 3.76Å; R123-D125 IonicContact NH1-OD2 3.51Å; R123-D125 PolarHBondContact NH1-OD2 3.2Å; R123-D125 PolarHBondContact O-N 2.03Å; R123-D125 VanDerWaalsContact O-N 3.08Å
124	T	36.7	Very low	45.3	Very low	147 Å²	147	115 Å²	115	90%	0.902	66%	0.659	S	S	*	*			trans	-79.3	65.3	158.9	51.4	0	0	0	0	108.6	A126	T124-A126 PolarHBondContact O-N 3.4Å
125	D	36.7	Very low	46.5	Very low	100 Å²	100	110.8 Å²	110.8	54%	0.535	65%	0.645	S	S	.	*			trans	-70.9	89.6	165.2	-77.4	-28.2	0	0	0	106.7	R123 T127	R123-D125 WeakPolarHBondContact CD-OD2 3.21Å; R123-D125 IonicContact CZ-OD2 2.84Å; R123-D125 IonicContact NE-OD2 2.65Å; R123-D125 IonicContact NH1-OD1 3.76Å; R123-D125 IonicContact NH1-OD2 3.51Å; R123-D125 PolarHBondContact NH1-OD2 3.2Å; R123-D125 PolarHBondContact O-N 2.03Å; R123-D125 VanDerWaalsContact O-N 3.08Å; D125-T127 VanDerWaalsContact C-N 3.33Å; D125-T127 PolarHBondContact O-N 2.86Å
126	A	39.4	Very low	47.9	Very low	68 Å²	68	108.8 Å²	108.8	56%	0.562	62%	0.621	S	S	*	*			trans	-67.5	92.8	173.1	0	0	0	0	0	108.4	T124 E128	T124-A126 PolarHBondContact O-N 3.4Å; A126-E128 PolarHBondContact O-N 3.27Å; A126-E128 VanDerWaalsContact O-N 3.07Å
127	T	42.5	Very low	48.9	Very low	119 Å²	119	106 Å²	106	73%	0.73	60%	0.601	S	S	*	*			trans	-72.3	101.6	-178.2	43.3	0	0	0	0	109.9	D125 R129	D125-T127 VanDerWaalsContact C-N 3.33Å; D125-T127 PolarHBondContact O-N 2.86Å; T127-R129 PolarHBondContact O-N 3.29Å
128	E	49.3	Very low	50.1	Low	87 Å²	87	104.3 Å²	104.3	41%	0.407	58%	0.581	S	S	.	*			trans	-50.2	112.3	172.4	-69	179	160.3	0	0	109.9	A126 K311	A126-E128 PolarHBondContact O-N 3.27Å; A126-E128 VanDerWaalsContact O-N 3.07Å; E128-K311 VanDerWaalsContact OE1-CE 3.26Å; E128-K311 WeakPolarHBondContact OE1-CE 3.39Å; E128-K311 IonicContact OE1-NZ 3.73Å; E128-K311 PolarHBondContact OE1-NZ 3.49Å
129	R	52.4	Low	51.2	Low	151 Å²	151	103.5 Å²	103.5	57%	0.57	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.3	103.2	-176	-165.5	172.5	-172.4	160.1	0.9	108.3	E113 T127 L131	E113-R129 IonicContact OE1-NH1 2.99Å; E113-R129 PolarHBondContact OE1-NH1 2.86Å; E113-R129 VanDerWaalsContact OE1-NH1 3.11Å; T127-R129 PolarHBondContact O-N 3.29Å; R129-L131 PolarHBondContact O-N 2.8Å
130	I	58.7	Low	52.7	Low	82 Å²	82	99 Å²	99	42%	0.421	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	108.8	172.5	-55.5	175.1	0	0	0	107.3	E106 R133	E106-I130 HydrophobicContact CB-CG2 4.43Å; E106-I130 HydrophobicContact CG-CG2 4.35Å; I130-R133 HydrophobicContact CG2-CB 4.14Å
131	L	54.8	Low	54.4	Low	98 Å²	98	95.4 Å²	95.4	51%	0.513	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-37.1	-176.1	-66.3	-170.1	0	0	0	111.2	W107 D109 R129	W107-L131 PolarHBondContact O-N 3.44Å; D109-L131 HydrophobicContact CB-CD1 3.55Å; D109-L131 HydrophobicContact CB-CG 4.13Å; R129-L131 PolarHBondContact O-N 2.8Å
132	Q	60.1	Low	56.5	Low	99 Å²	99	91.3 Å²	91.3	46%	0.463	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	130.2	-172.1	-171	165	-7.2	0	0	108.8	W107 E134	W107-Q132 HydrophobicContact CB-CB 4.32Å; W107-Q132 HydrophobicContact CG-CB 4.42Å; W107-Q132 PolarHBondContact N-O 3.43Å; Q132-E134 HydrophobicContact CG-CG 4.31Å; Q132-E134 PolarHBondContact NE2-OE1 3.05Å
133	R	70.9	Confident	58.5	Low	103 Å²	103	83 Å²	83	39%	0.389	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.2	178.3	-171.2	177.8	-146.6	-127.2	8.9	108.3	M104 V105 E106 I130 E344	M104-R133 HydrophobicContact CE-CG 3.68Å; V105-R133 WeakPolarHBondContact O-CA 3.19Å; E106-R133 HydrophobicContact CG-CB 4.41Å; E106-R133 HydrophobicContact CG-CG 3.8Å; E106-R133 IonicContact OE1-CZ 2.76Å; E106-R133 VanDerWaalsContact OE1-CZ 3.25Å; E106-R133 IonicContact OE1-NE 3.28Å; E106-R133 PolarHBondContact OE1-NE 3.33Å; E106-R133 IonicContact OE1-NH2 2.68Å; E106-R133 PolarHBondContact OE1-NH2 3.36Å; I130-R133 HydrophobicContact CG2-CB 4.14Å; R133-E344 IonicContact CZ-OE1 3.19Å; R133-E344 VanDerWaalsContact CZ-OE1 3.25Å; R133-E344 IonicContact CZ-OE2 2.81Å; R133-E344 IonicContact NH1-OE1 2.68Å; R133-E344 PolarHBondContact NH1-OE1 3.02Å; R133-E344 IonicContact NH2-OE1 2.8Å; R133-E344 PolarHBondContact NH2-OE1 3.37Å; R133-E344 IonicContact NH2-OE2 3.95Å; R133-E344 PolarHBondContact NH2-OE2 3.14Å
134	E	74.2	Confident	60.5	Low	66 Å²	66	74.2 Å²	74.2	31%	0.308	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.1	-176.4	-70	-166.7	-163.8	0	0	111.3	M104 V105 Q132 K137	M104-E134 CarbonylContact C-O 3.49Å; M104-E134 VanDerWaalsContact CA-O 3.32Å; M104-E134 WeakPolarHBondContact CA-O 3.25Å; M104-E134 VanDerWaalsContact CE-C 3.42Å; M104-E134 WeakPolarHBondContact CE-O 3.46Å; V105-E134 PolarHBondContact N-O 3.12Å; V105-E134 PolarHBondContact O-N 2.99Å; Q132-E134 HydrophobicContact CG-CG 4.31Å; Q132-E134 PolarHBondContact NE2-OE1 3.05Å; E134-K137 IonicContact OE2-NZ 3.84Å; E134-K137 PolarHBondContact OE2-NZ 3.36Å
135	L	65.3	Low	62.5	Low	106 Å²	106	69.6 Å²	69.6	56%	0.555	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	138.6	168.8	-78.7	155	0	0	0	110.2	M104 K137	M104-L135 HydrophobicContact CE-CG 4.3Å; M104-L135 HydrophobicContact SD-CB 4.44Å; M104-L135 HydrophobicContact SD-CD2 3.51Å; M104-L135 VanDerWaalsContact SD-CD2 3.51Å; M104-L135 HydrophobicContact SD-CG 3.75Å; L135-K137 PolarHBondContact O-N 2.9Å
136	L	64.3	Low	64.6	Low	12 Å²	12	65 Å²	65	6%	0.063	33%	0.332	C	S	.	.			trans	-61.8	126.8	168.1	-85.1	157.3	0	0	0	109.2	V99 A103 V105 L278 L301 M304	V99-L136 HydrophobicContact CG1-CB 3.89Å; V99-L136 HydrophobicContact CG1-CD1 4.2Å; A103-L136 HydrophobicContact CB-CB 4.29Å; A103-L136 HydrophobicContact CB-CD1 3.63Å; A103-L136 PolarHBondContact O-N 2.75Å; V105-L136 HydrophobicContact CG2-CD2 3.45Å; V105-L136 VanDerWaalsContact CG2-CD2 3.45Å; V105-L136 HydrophobicContact CG2-CG 3.62Å; L136-L278 HydrophobicContact CD2-CD2 4.29Å; L136-L301 HydrophobicContact CD1-CD2 3.67Å; L136-L301 HydrophobicContact CD1-CG 4.05Å; L136-L301 HydrophobicContact CD2-CD2 4.03Å; L136-M304 HydrophobicContact CD1-CB 4.28Å; L136-M304 HydrophobicContact CD2-CB 4.32Å; L136-M304 HydrophobicContact CD2-CE 3.79Å; L136-M304 HydrophobicContact CD2-SD 4.15Å
137	K	60	Low	66.2	Low	110 Å²	110	62.4 Å²	62.4	48%	0.478	31%	0.309	S	S	.	.			trans	-89.2	113.9	-179.5	-67.4	162.6	-169.5	136.8	0	108.3	E134 L135	E134-K137 IonicContact OE2-NZ 3.84Å; E134-K137 PolarHBondContact OE2-NZ 3.36Å; L135-K137 PolarHBondContact O-N 2.9Å
138	T	58.8	Low	67.1	Low	59 Å²	59	60 Å²	60	36%	0.362	29%	0.292	S	S	.	.			trans	-91.8	-21.9	-169.5	45.6	0	0	0	0	114.1	V99 C140 T141	V99-T138 HydrophobicContact CB-CG2 3.64Å; V99-T138 HydrophobicContact CG1-CG2 3.72Å; V99-T138 HydrophobicContact CG2-CG2 4.14Å; T138-C140 PolarHBondContact O-N 2.89Å; T138-T141 PolarHBondContact O-N 2.98Å; T138-T141 PolarHBondContact O-OG1 3.13Å
139	D	63.7	Low	68.1	Low	122 Å²	122	57.7 Å²	57.7	65%	0.652	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	9.5	-166.4	-45.2	-3.2	0	0	0	115.5
140	C	71	Confident	68.5	Low	5 Å²	5	56.1 Å²	56.1	3%	0.034	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-11.4	-166.7	-70.9	0	0	0	0	115	A58 T138 F142 N157 N158 C159	A58-C140 VanDerWaalsContact CB-SG 3.53Å; T138-C140 PolarHBondContact O-N 2.89Å; C140-F142 VanDerWaalsContact O-CD2 3.26Å; C140-F142 WeakPolarHBondContact O-CD2 3.39Å; C140-F142 WeakPolarHBondContact O-CE2 3.45Å; C140-N157 WeakPolarHBondContact CB-OD1 3.01Å; C140-N157 CarbonylContact O-C 3.43Å; C140-N157 VanDerWaalsContact O-CA 3.24Å; C140-N157 WeakPolarHBondContact O-CA 3.42Å; C140-N157 PolarHBondContact O-OD1 3.14Å; C140-N157 VanDerWaalsContact O-OD1 3.12Å; C140-N158 WeakPolarHBondContact CA-OD1 3.3Å; C140-N158 PolarHBondContact O-N 3.49Å; C140-N158 PolarHBondContact O-OD1 2.96Å; C140-C159 HydrophobicContact CB-CB 3.49Å; C140-C159 VanDerWaalsContact CB-CB 3.49Å; C140-C159 WeakPolarHBondContact CB-SG 3.33Å; C140-C159 WeakPolarHBondContact SG-CA 3.5Å; C140-C159 WeakPolarHBondContact SG-CB 3.07Å; C140-C159 CovalentContact SG-SG 2.04Å; C140-C159 PolarHBondContact SG-SG 3.18Å
141	T	77.3	Confident	68.7	Low	3 Å²	3	54.7 Å²	54.7	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.1	-176.4	42.8	0	0	0	0	112.3	N95 L98 T138 L278	N95-T141 PolarHBondContact N-O 3.17Å; L98-T141 HydrophobicContact CD2-CG2 3.8Å; T138-T141 PolarHBondContact O-N 2.98Å; T138-T141 PolarHBondContact O-OG1 3.13Å; T141-L278 HydrophobicContact CG2-CB 3.79Å; T141-L278 HydrophobicContact CG2-CD2 4.46Å
142	F	77.9	Confident	69.4	Low	7 Å²	7	50.2 Å²	50.2	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.6	-172.6	-58.3	-99	0	0	0	112.3	Q75 L77 L92 R93 P94 C140 I156 N158 N282	Q75-F142 WeakPolarHBondContact O-CE1 3.26Å; L77-F142 HydrophobicContact CB-CD1 4.31Å; L77-F142 HydrophobicContact CB-CE1 4.34Å; L77-F142 HydrophobicContact CD1-CD1 4.13Å; L77-F142 HydrophobicContact CD1-CD2 4.12Å; L77-F142 HydrophobicContact CD1-CE1 3.6Å; L77-F142 HydrophobicContact CD1-CE2 3.58Å; L77-F142 HydrophobicContact CD1-CG 4.42Å; L77-F142 HydrophobicContact CD1-CZ 3.32Å; L77-F142 HydrophobicContact CG-CD1 3.99Å; L77-F142 HydrophobicContact CG-CE1 3.54Å; L77-F142 HydrophobicContact CG-CE2 4.42Å; L77-F142 HydrophobicContact CG-CZ 3.82Å; L92-F142 HydrophobicContact CB-CB 3.63Å; L92-F142 HydrophobicContact CB-CG 4.42Å; L92-F142 HydrophobicContact CD1-CB 3.91Å; L92-F142 HydrophobicContact CG-CB 4.37Å; R93-F142 CarbonylContact O-C 3.57Å; R93-F142 WeakPolarHBondContact O-CA 3.44Å; R93-F142 WeakPolarHBondContact O-CB 3.08Å; P94-F142 HydrophobicContact CB-CD1 4.25Å; P94-F142 HydrophobicContact CB-CE1 4.08Å; P94-F142 HydrophobicContact CG-CD1 4.24Å; P94-F142 HydrophobicContact CG-CE1 3.91Å; C140-F142 VanDerWaalsContact O-CD2 3.26Å; C140-F142 WeakPolarHBondContact O-CD2 3.39Å; C140-F142 WeakPolarHBondContact O-CE2 3.45Å; F142-I156 PolarHBondContact N-O 3.14Å; F142-I156 PolarHBondContact O-N 3.48Å; F142-I156 VanDerWaalsContact O-O 3.05Å; F142-N158 VanDerWaalsContact CE2-OD1 3.23Å; F142-N158 WeakPolarHBondContact CE2-OD1 3.37Å; F142-N282 PolarHBondContact O-ND2 2.98Å
143	I	80.3	Confident	70.3	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	158	176.2	54.5	170.9	0	0	0	110.2	L92 R93 N95 V154 N282 E286	L92-I143 CarbonylContact C-O 3.53Å; L92-I143 VanDerWaalsContact CA-O 3.29Å; L92-I143 WeakPolarHBondContact CA-O 3.26Å; R93-I143 HydrophobicContact CG-CG1 3.91Å; R93-I143 WeakPolarHBondContact CG-O 3.15Å; R93-I143 PolarHBondContact N-O 3.15Å; R93-I143 PolarHBondContact O-N 3.27Å; N95-I143 HydrophobicContact CB-CD1 4.36Å; N95-I143 HydrophobicContact CB-CG1 4.02Å; N95-I143 HydrophobicContact CB-CG2 3.97Å; N95-I143 VanDerWaalsContact ND2-CG2 3.29Å; N95-I143 WeakPolarHBondContact ND2-CG2 3.39Å; I143-V154 CarbonylContact C-O 3.53Å; I143-V154 VanDerWaalsContact CA-O 3.29Å; I143-V154 WeakPolarHBondContact CA-O 3.43Å; I143-N282 WeakPolarHBondContact CG2-OD1 3.35Å; I143-E286 VanDerWaalsContact CB-CD 3.43Å; I143-E286 HydrophobicContact CB-CG 3.96Å; I143-E286 WeakPolarHBondContact CB-OE2 3.27Å; I143-E286 VanDerWaalsContact CD1-OE1 3.32Å; I143-E286 WeakPolarHBondContact CD1-OE1 3.48Å; I143-E286 HydrophobicContact CG2-CG 3.48Å; I143-E286 VanDerWaalsContact CG2-CG 3.48Å; I143-E286 WeakPolarHBondContact CG2-OE1 3.48Å
144	G	75.7	Confident	70.8	Confident	9 Å²	9	42 Å²	42	9%	0.093	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-174.8	-168.5	0	0	0	0	0	116.9	R91 M153 V154	R91-G144 CarbonylContact O-C 3.51Å; R91-G144 WeakPolarHBondContact O-CA 3.08Å; G144-M153 CarbonylContact O-C 3.58Å; G144-M153 WeakPolarHBondContact O-CA 2.99Å; G144-V154 PolarHBondContact N-O 2.79Å; G144-V154 PolarHBondContact O-N 2.96Å
145	D	79.8	Confident	71.2	Confident	50 Å²	50	38.9 Å²	38.9	27%	0.267	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	173.1	179.8	73	-64.4	0	0	0	111.3	R91 A152	R91-D145 IonicContact CZ-OD1 2.69Å; R91-D145 IonicContact CZ-OD2 2.67Å; R91-D145 PolarHBondContact N-O 2.8Å; R91-D145 IonicContact NE-OD1 2.75Å; R91-D145 PolarHBondContact NE-OD1 2.85Å; R91-D145 IonicContact NE-OD2 3.31Å; R91-D145 PolarHBondContact NE-OD2 3.07Å; R91-D145 IonicContact NH2-OD1 2.68Å; R91-D145 PolarHBondContact NH2-OD1 3.19Å; R91-D145 IonicContact NH2-OD2 3.12Å; R91-D145 PolarHBondContact NH2-OD2 2.95Å; R91-D145 PolarHBondContact O-N 3.02Å; D145-A152 WeakPolarHBondContact CA-O 3.29Å; D145-A152 WeakPolarHBondContact CB-O 3.45Å
146	I	81.1	Confident	71.9	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.3	174.3	-55.7	177.6	0	0	0	108	F88 H89 L90 D148 V149 A152 V154 I166 T168	F88-I146 HydrophobicContact CD1-CD1 4.14Å; H89-I146 WeakPolarHBondContact O-CA 3.45Å; H89-I146 WeakPolarHBondContact O-CG2 3.48Å; L90-I146 HydrophobicContact CD2-CD1 4.42Å; L90-I146 HydrophobicContact CD2-CG1 4.14Å; I146-D148 PolarHBondContact O-N 2.71Å; I146-V149 HydrophobicContact CB-CB 4.42Å; I146-V149 HydrophobicContact CG2-CB 4.5Å; I146-V149 HydrophobicContact CG2-CG2 4.34Å; I146-V149 PolarHBondContact O-N 2.71Å; I146-A152 HydrophobicContact CB-CB 3.67Å; I146-A152 HydrophobicContact CD1-CB 3.74Å; I146-A152 HydrophobicContact CG1-CB 3.68Å; I146-V154 HydrophobicContact CD1-CG2 4.44Å; I146-V154 HydrophobicContact CG1-CG2 3.72Å; I146-I166 HydrophobicContact CD1-CG2 3.56Å; I146-I166 HydrophobicContact CG1-CG2 4.43Å; I146-T168 HydrophobicContact CD1-CG2 3.83Å
147	T	71.4	Confident	72.7	Confident	13 Å²	13	33.3 Å²	33.3	8%	0.08	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.5	-169.9	52.8	0	0	0	0	114.8	H89 R91 K516	H89-T147 PolarHBondContact CD2-OG1 2.76Å; H89-T147 VanDerWaalsContact CD2-OG1 3.28Å; H89-T147 PolarHBondContact O-N 2.87Å; R91-T147 HydrophobicContact CB-CG2 3.94Å; T147-K516 WeakPolarHBondContact O-CB 3.25Å; T147-K516 WeakPolarHBondContact O-CD 3.33Å
148	D	63.1	Low	73.6	Confident	69 Å²	69	28.1 Å²	28.1	37%	0.369	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-4.9	-172.5	-72.8	-91.1	0	0	0	114.5	I146 K516	I146-D148 PolarHBondContact O-N 2.71Å; D148-K516 VanDerWaalsContact OD1-CD 3.31Å; D148-K516 WeakPolarHBondContact OD1-CD 3.04Å; D148-K516 WeakPolarHBondContact OD1-CE 3.44Å; D148-K516 IonicContact OD1-NZ 3.96Å; D148-K516 PolarHBondContact OD1-NZ 2.84Å
149	V	70.1	Confident	74.3	Confident	38 Å²	38	26.1 Å²	26.1	23%	0.23	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	102.3	-177.2	-176.3	0	0	0	0	110	I146 G151 A152 D169	I146-V149 HydrophobicContact CB-CB 4.42Å; I146-V149 HydrophobicContact CG2-CB 4.5Å; I146-V149 HydrophobicContact CG2-CG2 4.34Å; I146-V149 PolarHBondContact O-N 2.71Å; V149-G151 PolarHBondContact O-N 3.16Å; V149-A152 HydrophobicContact CB-CB 3.85Å; V149-A152 HydrophobicContact CG1-CB 3.89Å; V149-A152 VanDerWaalsContact O-CB 3.25Å; V149-A152 WeakPolarHBondContact O-CB 3.48Å; V149-A152 PolarHBondContact O-N 3.32Å; V149-D169 WeakPolarHBondContact CG1-OD2 3.43Å
150	P	61.3	Low	74.6	Confident	118 Å²	118	21 Å²	21	77%	0.766	14%	0.136	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.3	-178	30.1	-33.3	0	0	0	111.2
151	G	61.9	Low	74.7	Confident	52 Å²	52	20.8 Å²	20.8	54%	0.536	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	102	-3.6	-172.5	0	0	0	0	0	114.1	V149	V149-G151 PolarHBondContact O-N 3.16Å
152	A	70.4	Confident	74.7	Confident	4 Å²	4	20.7 Å²	20.7	3%	0.033	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.1	167.7	0	0	0	0	0	111.7	D145 I146 V149 R167	D145-A152 WeakPolarHBondContact CA-O 3.29Å; D145-A152 WeakPolarHBondContact CB-O 3.45Å; I146-A152 HydrophobicContact CB-CB 3.67Å; I146-A152 HydrophobicContact CD1-CB 3.74Å; I146-A152 HydrophobicContact CG1-CB 3.68Å; V149-A152 HydrophobicContact CB-CB 3.85Å; V149-A152 HydrophobicContact CG1-CB 3.89Å; V149-A152 VanDerWaalsContact O-CB 3.25Å; V149-A152 WeakPolarHBondContact O-CB 3.48Å; V149-A152 PolarHBondContact O-N 3.32Å; A152-R167 WeakPolarHBondContact CA-O 3.43Å; A152-R167 WeakPolarHBondContact CB-O 2.97Å
153	M	78.2	Confident	74.7	Confident	29 Å²	29	21 Å²	21	14%	0.143	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.9	-179.7	-62.9	-165.9	-68.8	0	0	110.9	G144 R167 D290 Y432	G144-M153 CarbonylContact O-C 3.58Å; G144-M153 WeakPolarHBondContact O-CA 2.99Å; M153-R167 PolarHBondContact N-O 2.57Å; M153-R167 WeakPolarHBondContact O-CB 3.31Å; M153-R167 PolarHBondContact O-N 2.99Å; M153-D290 HydrophobicContact CE-CB 3.97Å; M153-D290 WeakPolarHBondContact CE-OD2 3.26Å; M153-Y432 HydrophobicContact CE-CE2 4.36Å
154	V	82.2	Confident	74.4	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	131.6	-170.2	-166.8	0	0	0	0	110.3	L90 L92 I143 G144 I146 I156 M165 I166	L90-V154 HydrophobicContact CB-CG1 4.27Å; L90-V154 HydrophobicContact CD1-CG1 3.84Å; L90-V154 HydrophobicContact CD2-CG1 3.99Å; L90-V154 HydrophobicContact CD2-CG2 3.94Å; L90-V154 HydrophobicContact CG-CG1 4.25Å; L92-V154 HydrophobicContact CD2-CB 3.76Å; L92-V154 HydrophobicContact CD2-CG1 3.51Å; I143-V154 CarbonylContact C-O 3.53Å; I143-V154 VanDerWaalsContact CA-O 3.29Å; I143-V154 WeakPolarHBondContact CA-O 3.43Å; G144-V154 PolarHBondContact N-O 2.79Å; G144-V154 PolarHBondContact O-N 2.96Å; I146-V154 HydrophobicContact CD1-CG2 4.44Å; I146-V154 HydrophobicContact CG1-CG2 3.72Å; V154-I156 HydrophobicContact CG1-CD1 4.01Å; V154-I156 HydrophobicContact CG1-CG1 4.1Å; V154-M165 WeakPolarHBondContact CA-O 3.24Å; V154-M165 WeakPolarHBondContact CG1-O 3.43Å; V154-I166 HydrophobicContact CG1-CG1 4.05Å
155	A	81.7	Confident	74.6	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	108	177.9	0	0	0	0	0	109.7	G164 M165 I283 E286	A155-G164 CarbonylContact O-C 3.53Å; A155-G164 WeakPolarHBondContact O-CA 3.48Å; A155-M165 PolarHBondContact N-O 2.03Å; A155-M165 PolarHBondContact O-N 2.7Å; A155-I283 HydrophobicContact CB-CB 4.23Å; A155-I283 HydrophobicContact CB-CG1 3.75Å; A155-E286 HydrophobicContact CB-CB 4.38Å; A155-E286 HydrophobicContact CB-CG 3.85Å
156	I	80.8	Confident	74.7	Confident	0 Å²	0	18 Å²	18	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.1	-171.2	-75.7	-174.7	0	0	0	112.3	L90 L92 F142 V154 L162 A163 I166 I175 N282	L90-I156 HydrophobicContact CD1-CD1 3.38Å; L92-I156 HydrophobicContact CD1-CB 4.09Å; L92-I156 HydrophobicContact CD1-CG2 4.2Å; F142-I156 PolarHBondContact N-O 3.14Å; F142-I156 PolarHBondContact O-N 3.48Å; F142-I156 VanDerWaalsContact O-O 3.05Å; V154-I156 HydrophobicContact CG1-CD1 4.01Å; V154-I156 HydrophobicContact CG1-CG1 4.1Å; I156-L162 HydrophobicContact CG2-CB 4.47Å; I156-L162 HydrophobicContact CG2-CD2 4.07Å; I156-A163 CarbonylContact C-O 3.53Å; I156-A163 VanDerWaalsContact CA-O 3.25Å; I156-A163 WeakPolarHBondContact CA-O 3.33Å; I156-I166 HydrophobicContact CD1-CD1 4.48Å; I156-I166 HydrophobicContact CD1-CG1 4.18Å; I156-I175 HydrophobicContact CD1-CG2 3.82Å; I156-I175 HydrophobicContact CG1-CG2 4.47Å; I156-N282 PolarHBondContact N-ND2 3.02Å; I156-N282 VanDerWaalsContact N-ND2 3.18Å; I156-N282 PolarHBondContact O-ND2 2.8Å
157	N	81	Confident	74.4	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.011	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.2	166.1	-170.6	-25.4	0	0	0	109.6	C140 C159 A163 N275 T279	C140-N157 WeakPolarHBondContact CB-OD1 3.01Å; C140-N157 CarbonylContact O-C 3.43Å; C140-N157 VanDerWaalsContact O-CA 3.24Å; C140-N157 WeakPolarHBondContact O-CA 3.42Å; C140-N157 PolarHBondContact O-OD1 3.14Å; C140-N157 VanDerWaalsContact O-OD1 3.12Å; N157-C159 WeakPolarHBondContact OD1-CB 3.43Å; N157-C159 PolarHBondContact OD1-N 3.49Å; N157-A163 PolarHBondContact N-O 3.24Å; N157-A163 PolarHBondContact O-N 3.03Å; N157-N275 PolarHBondContact ND2-O 2.85Å; N157-T279 HydrophobicContact CB-CG2 4.22Å; N157-T279 WeakPolarHBondContact CB-OG1 3.24Å
158	N	78.9	Confident	74.5	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	12%	0.122	C	C	.	.			trans	-120.8	22.7	175.8	88.1	-41.1	0	0	0	114.7	L56 S57 A58 F79 C140 F142 D160 G161 L162	L56-N158 PolarHBondContact O-ND2 3.32Å; S57-N158 CarbonylContact C-O 3.52Å; S57-N158 WeakPolarHBondContact CA-O 3.45Å; A58-N158 PolarHBondContact N-O 3.24Å; F79-N158 HydrophobicContact CZ-CB 4.27Å; C140-N158 WeakPolarHBondContact CA-OD1 3.3Å; C140-N158 PolarHBondContact O-N 3.49Å; C140-N158 PolarHBondContact O-OD1 2.96Å; F142-N158 VanDerWaalsContact CE2-OD1 3.23Å; F142-N158 WeakPolarHBondContact CE2-OD1 3.37Å; N158-D160 VanDerWaalsContact C-N 3.34Å; N158-D160 PolarHBondContact O-N 2.03Å; N158-G161 WeakPolarHBondContact CA-O 3.45Å; N158-L162 HydrophobicContact CB-CD2 3.96Å
159	C	72.9	Confident	74.6	Confident	16 Å²	16	18.8 Å²	18.8	11%	0.108	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.5	-179.6	-115.8	0	0	0	0	114.4	C140 N157 N275	C140-C159 HydrophobicContact CB-CB 3.49Å; C140-C159 VanDerWaalsContact CB-CB 3.49Å; C140-C159 WeakPolarHBondContact CB-SG 3.33Å; C140-C159 WeakPolarHBondContact SG-CA 3.5Å; C140-C159 WeakPolarHBondContact SG-CB 3.07Å; C140-C159 CovalentContact SG-SG 2.04Å; C140-C159 PolarHBondContact SG-SG 3.18Å; N157-C159 WeakPolarHBondContact OD1-CB 3.43Å; N157-C159 PolarHBondContact OD1-N 3.49Å; C159-N275 HydrophobicContact CB-CB 4.35Å; C159-N275 WeakPolarHBondContact CB-OD1 3.48Å
160	D	70.6	Confident	74.2	Confident	15 Å²	15	19.5 Å²	19.5	8%	0.08	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.5	71.8	178.6	-178.1	28.3	0	0	0	110.5	N158 P177 G181 Q183 R190 H272	N158-D160 VanDerWaalsContact C-N 3.34Å; N158-D160 PolarHBondContact O-N 2.03Å; D160-P177 WeakPolarHBondContact O-CG 3.47Å; D160-G181 PolarHBondContact OD2-N 3.19Å; D160-Q183 VanDerWaalsContact CG-NE2 3.34Å; D160-Q183 VanDerWaalsContact OD1-CG 3.27Å; D160-Q183 WeakPolarHBondContact OD1-CG 3.27Å; D160-Q183 PolarHBondContact OD1-NE2 2.88Å; D160-R190 IonicContact OD1-CZ 3.65Å; D160-R190 VanDerWaalsContact OD1-CZ 3.3Å; D160-R190 IonicContact OD1-NH1 3.26Å; D160-R190 PolarHBondContact OD1-NH1 3.1Å; D160-R190 IonicContact OD1-NH2 3.07Å; D160-R190 PolarHBondContact OD1-NH2 3.24Å; D160-R190 IonicContact OD2-NH2 3.65Å; D160-H272 IonicContact OD2-CE1 2.9Å; D160-H272 PolarHBondContact OD2-CE1 3.44Å; D160-H272 IonicContact OD2-CG 2.83Å; D160-H272 IonicContact OD2-ND1 3.25Å; D160-H272 PolarHBondContact OD2-ND1 2.79Å
161	G	72.1	Confident	74.5	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.01	10%	0.099	C	C	.	.	S	Bend	trans	72.5	-179.1	-163.9	0	0	0	0	0	112.5	S57 N158	S57-G161 PolarHBondContact OG-N 3.03Å; N158-G161 WeakPolarHBondContact CA-O 3.45Å
162	L	78.3	Confident	74.9	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.			trans	-84.4	126.6	177.5	-61.5	-174.8	0	0	0	111.3	P42 L56 F79 I81 I156 N158 I175 E176 P177 H192	P42-L162 HydrophobicContact CB-CD1 3.98Å; P42-L162 HydrophobicContact CG-CD1 4.14Å; L56-L162 HydrophobicContact CB-CD2 4.2Å; L56-L162 HydrophobicContact CB-CG 4.17Å; L56-L162 HydrophobicContact CD1-CG 4.25Å; L56-L162 HydrophobicContact CD2-CD1 4.03Å; L56-L162 HydrophobicContact CD2-CD2 4.39Å; L56-L162 HydrophobicContact CD2-CG 3.99Å; L56-L162 HydrophobicContact CG-CG 4.35Å; F79-L162 HydrophobicContact CB-CD1 3.71Å; F79-L162 HydrophobicContact CD1-CD1 3.8Å; F79-L162 HydrophobicContact CD1-CD2 3.74Å; F79-L162 HydrophobicContact CD1-CG 4.24Å; F79-L162 HydrophobicContact CD2-CD1 4.41Å; F79-L162 HydrophobicContact CD2-CD2 3.83Å; F79-L162 HydrophobicContact CE1-CD2 3.72Å; F79-L162 HydrophobicContact CE2-CD2 3.79Å; F79-L162 HydrophobicContact CG-CD1 3.7Å; F79-L162 HydrophobicContact CG-CD2 3.79Å; F79-L162 HydrophobicContact CG-CG 4.38Å; F79-L162 HydrophobicContact CZ-CD2 3.74Å; I81-L162 HydrophobicContact CD1-CD1 4.15Å; I81-L162 HydrophobicContact CG1-CD1 4.4Å; I156-L162 HydrophobicContact CG2-CB 4.47Å; I156-L162 HydrophobicContact CG2-CD2 4.07Å; N158-L162 HydrophobicContact CB-CD2 3.96Å; L162-I175 HydrophobicContact CB-CD1 4.17Å; L162-I175 HydrophobicContact CD1-CD1 4.4Å; L162-E176 WeakPolarHBondContact O-CA 2.98Å; L162-P177 WeakPolarHBondContact O-CD 3.4Å; L162-H192 PolarHBondContact N-NE2 3.39Å; L162-H192 PolarHBondContact O-CD2 2.89Å; L162-H192 VanDerWaalsContact O-CD2 3.23Å
163	A	77.1	Confident	75.1	Confident	15 Å²	15	12.7 Å²	12.7	12%	0.124	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.1	173.3	0	0	0	0	0	110.2	I156 N157 I175 T279 F386	I156-A163 CarbonylContact C-O 3.53Å; I156-A163 VanDerWaalsContact CA-O 3.25Å; I156-A163 WeakPolarHBondContact CA-O 3.33Å; N157-A163 PolarHBondContact N-O 3.24Å; N157-A163 PolarHBondContact O-N 3.03Å; A163-I175 CarbonylContact C-O 3.49Å; A163-I175 VanDerWaalsContact CA-O 3.29Å; A163-I175 WeakPolarHBondContact CA-O 3.36Å; A163-T279 HydrophobicContact CB-CG2 4.3Å; A163-T279 WeakPolarHBondContact O-CG2 3.27Å; A163-F386 HydrophobicContact CB-CE2 3.92Å; A163-F386 HydrophobicContact CB-CZ 3.77Å
164	G	73.9	Confident	75	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.3	-155	170.5	0	0	0	0	0	115.9	A155 F174 I175 T279	A155-G164 CarbonylContact O-C 3.53Å; A155-G164 WeakPolarHBondContact O-CA 3.48Å; G164-F174 CarbonylContact O-C 3.59Å; G164-F174 WeakPolarHBondContact O-CA 3.48Å; G164-I175 PolarHBondContact N-O 3.47Å; G164-I175 PolarHBondContact O-N 2.86Å; G164-T279 VanDerWaalsContact CA-CG2 3.4Å
165	M	80.8	Confident	74.7	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.9	-170.8	-176.1	-173.5	72.5	0	0	112.8	V154 A155 F174 I283 F390 Y432	V154-M165 WeakPolarHBondContact CA-O 3.24Å; V154-M165 WeakPolarHBondContact CG1-O 3.43Å; A155-M165 PolarHBondContact N-O 2.03Å; A155-M165 PolarHBondContact O-N 2.7Å; M165-F174 HydrophobicContact CB-CD1 4.05Å; M165-F174 HydrophobicContact CB-CE1 4.02Å; M165-F174 HydrophobicContact CG-CD1 4.21Å; M165-F174 HydrophobicContact CG-CE1 3.89Å; M165-F174 HydrophobicContact SD-CE1 4.33Å; M165-I283 HydrophobicContact CB-CD1 3.94Å; M165-I283 HydrophobicContact CB-CG1 3.89Å; M165-I283 HydrophobicContact CB-CG2 4.15Å; M165-I283 HydrophobicContact CE-CG2 3.76Å; M165-I283 HydrophobicContact SD-CG2 3.73Å; M165-F390 HydrophobicContact SD-CE2 3.93Å; M165-F390 HydrophobicContact SD-CZ 3.64Å; M165-Y432 HydrophobicContact CE-CE1 4.01Å; M165-Y432 WeakPolarHBondContact CE-OH 3.44Å; M165-Y432 HydrophobicContact SD-CE1 4.23Å
166	I	80.5	Confident	74.5	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	108.7	176.8	-54.5	159.1	0	0	0	108.1	I81 F88 L90 I146 V154 I156 Y173 I175	I81-I166 HydrophobicContact CD1-CD1 3.51Å; F88-I166 HydrophobicContact CB-CG2 4.44Å; F88-I166 HydrophobicContact CG-CG2 4.36Å; L90-I166 HydrophobicContact CD1-CD1 4.1Å; L90-I166 HydrophobicContact CD1-CG1 4.09Å; L90-I166 HydrophobicContact CD2-CB 4.44Å; L90-I166 HydrophobicContact CD2-CD1 4.11Å; L90-I166 HydrophobicContact CD2-CG1 3.9Å; L90-I166 HydrophobicContact CD2-CG2 3.69Å; I146-I166 HydrophobicContact CD1-CG2 3.56Å; I146-I166 HydrophobicContact CG1-CG2 4.43Å; V154-I166 HydrophobicContact CG1-CG1 4.05Å; I156-I166 HydrophobicContact CD1-CD1 4.48Å; I156-I166 HydrophobicContact CD1-CG1 4.18Å; I166-Y173 PolarHBondContact N-O 3.48Å; I166-Y173 PolarHBondContact O-N 3.14Å; I166-I175 HydrophobicContact CD1-CG2 4.26Å
167	R	75.4	Confident	74.3	Confident	33 Å²	33	13.7 Å²	13.7	13%	0.125	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	141	176.8	167.2	176.6	161.2	176.9	-15	110.9	A152 M153 D290 Y432	A152-R167 WeakPolarHBondContact CA-O 3.43Å; A152-R167 WeakPolarHBondContact CB-O 2.97Å; M153-R167 PolarHBondContact N-O 2.57Å; M153-R167 WeakPolarHBondContact O-CB 3.31Å; M153-R167 PolarHBondContact O-N 2.99Å; R167-D290 IonicContact CZ-OD2 3.62Å; R167-D290 IonicContact NH1-OD2 3.76Å; R167-D290 PolarHBondContact NH1-OD2 2.77Å; R167-D290 IonicContact NH2-OD2 2.78Å; R167-D290 PolarHBondContact NH2-OD2 3.38Å; R167-Y432 HydrophobicContact CB-CE1 4.45Å; R167-Y432 VanDerWaalsContact CD-CE1 3.42Å; R167-Y432 HydrophobicContact CG-CE1 4.39Å; R167-Y432 VanDerWaalsContact CZ-O 3.31Å; R167-Y432 PolarHBondContact NH1-O 2.62Å; R167-Y432 PolarHBondContact NH2-O 2.95Å
168	T	73.1	Confident	73.8	Confident	3 Å²	3	18 Å²	18	2%	0.018	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	168.8	166.7	68.4	0	0	0	0	110.5	F88 I146 S170 D171 Y173	F88-T168 HydrophobicContact CD1-CG2 4.26Å; F88-T168 HydrophobicContact CE1-CG2 3.84Å; I146-T168 HydrophobicContact CD1-CG2 3.83Å; T168-S170 PolarHBondContact O-N 2.92Å; T168-S170 PolarHBondContact OG1-N 3.34Å; T168-S170 PolarHBondContact OG1-OG 2.81Å; T168-D171 PolarHBondContact N-O 2.89Å; T168-D171 PolarHBondContact OG1-N 3.48Å; T168-D171 PolarHBondContact OG1-O 2.84Å; T168-Y173 HydrophobicContact CG2-CE2 4.25Å
169	D	65.3	Low	73.2	Confident	67 Å²	67	24 Å²	24	36%	0.358	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-4.7	171.3	-42.8	-22.3	0	0	0	114.5	V149 R431	V149-D169 WeakPolarHBondContact CG1-OD2 3.43Å; D169-R431 VanDerWaalsContact O-CZ 3.25Å; D169-R431 PolarHBondContact O-NE 2.85Å; D169-R431 PolarHBondContact O-NH2 2.82Å
170	S	62.4	Low	72.7	Confident	54 Å²	54	27.2 Å²	27.2	38%	0.378	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-14.4	-164.9	67.5	0	0	0	0	115.3	K86 T168 H430	K86-S170 PolarHBondContact NZ-OG 3.38Å; T168-S170 PolarHBondContact O-N 2.92Å; T168-S170 PolarHBondContact OG1-N 3.34Å; T168-S170 PolarHBondContact OG1-OG 2.81Å; S170-H430 WeakPolarHBondContact O-CB 3.29Å
171	D	66.5	Low	72.2	Confident	26 Å²	26	28.5 Å²	28.5	14%	0.139	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	149.4	-166.3	-86.1	-60.8	0	0	0	110	K86 T168 Y173 R196 H430	K86-D171 IonicContact NZ-OD2 3.6Å; K86-D171 PolarHBondContact NZ-OD2 3.32Å; T168-D171 PolarHBondContact N-O 2.89Å; T168-D171 PolarHBondContact OG1-N 3.48Å; T168-D171 PolarHBondContact OG1-O 2.84Å; D171-Y173 HydrophobicContact CB-CD2 4.26Å; D171-Y173 HydrophobicContact CB-CE1 4.19Å; D171-Y173 HydrophobicContact CB-CE2 3.37Å; D171-Y173 WeakPolarHBondContact CB-OH 3.34Å; D171-Y173 VanDerWaalsContact CG-OH 3.22Å; D171-Y173 PolarHBondContact OD2-OH 3.24Å; D171-R196 IonicContact OD1-CZ 2.65Å; D171-R196 IonicContact OD1-NH1 3.65Å; D171-R196 PolarHBondContact OD1-NH1 3.06Å; D171-R196 IonicContact OD2-CZ 2.73Å; D171-R196 IonicContact OD2-NH1 3.55Å; D171-R196 PolarHBondContact OD2-NH1 3.49Å; D171-R196 IonicContact OD2-NH2 2.66Å; D171-H430 PolarHBondContact N-O 2.63Å
172	E	70.9	Confident	71.6	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.5	169.1	-70	168.8	-157.3	0	0	110.4	R196 R197 Y432	E172-R196 WeakPolarHBondContact O-CA 2.99Å; E172-R197 HydrophobicContact CB-CB 4.22Å; E172-R197 PolarHBondContact O-N 2.83Å; E172-R197 VanDerWaalsContact O-N 3.09Å; E172-R197 IonicContact OE1-NH1 2.71Å; E172-R197 WeakPolarHBondContact OE2-CD 3.02Å; E172-R197 IonicContact OE2-CZ 3.62Å; E172-R197 IonicContact OE2-NE 3.82Å; E172-R197 IonicContact OE2-NH1 3.25Å; E172-R197 PolarHBondContact OE2-NH1 2.89Å; E172-Y432 WeakPolarHBondContact OE1-CD1 3.4Å; E172-Y432 PolarHBondContact OE1-N 2.85Å
173	Y	75.3	Confident	70.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.6	-178.9	-52.5	-85.5	0	0	0	111	F84 K86 F88 I166 T168 D171 V194 Y195 R196	F84-Y173 AromaticContact CD2-CD1 3.75Å; F84-Y173 HydrophobicContact CD2-CD1 3.75Å; F84-Y173 AromaticContact CD2-CE1 3.45Å; F84-Y173 HydrophobicContact CD2-CE1 3.45Å; F84-Y173 VanDerWaalsContact CD2-CE1 3.45Å; F84-Y173 AromaticContact CE2-CD1 3.75Å; F84-Y173 HydrophobicContact CE2-CD1 3.75Å; F84-Y173 AromaticContact CE2-CE1 3.89Å; F84-Y173 HydrophobicContact CE2-CE1 3.89Å; F84-Y173 HydrophobicContact CG-CE1 4.33Å; K86-Y173 WeakPolarHBondContact CD-OH 3.09Å; K86-Y173 WeakPolarHBondContact CE-OH 3.49Å; K86-Y173 PolarHBondContact NZ-OH 3.11Å; F88-Y173 HydrophobicContact CE1-CD2 4.2Å; F88-Y173 AromaticContact CE1-CE2 3.71Å; F88-Y173 HydrophobicContact CE1-CE2 3.71Å; F88-Y173 HydrophobicContact CE2-CD1 4.45Å; F88-Y173 AromaticContact CE2-CD2 3.97Å; F88-Y173 HydrophobicContact CE2-CD2 3.97Å; F88-Y173 HydrophobicContact CE2-CE1 4.37Å; F88-Y173 AromaticContact CE2-CE2 3.88Å; F88-Y173 HydrophobicContact CE2-CE2 3.88Å; F88-Y173 HydrophobicContact CE2-CG 4.25Å; F88-Y173 AromaticContact CZ-CD2 3.64Å; F88-Y173 HydrophobicContact CZ-CD2 3.64Å; F88-Y173 HydrophobicContact CZ-CE1 4.17Å; F88-Y173 AromaticContact CZ-CE2 3.14Å; F88-Y173 HydrophobicContact CZ-CE2 3.14Å; F88-Y173 HydrophobicContact CZ-CG 4.32Å; F88-Y173 AromaticContact CZ-CZ 3.44Å; F88-Y173 VanDerWaalsContact CZ-CZ 3.44Å; I166-Y173 PolarHBondContact N-O 3.48Å; I166-Y173 PolarHBondContact O-N 3.14Å; T168-Y173 HydrophobicContact CG2-CE2 4.25Å; D171-Y173 HydrophobicContact CB-CD2 4.26Å; D171-Y173 HydrophobicContact CB-CE1 4.19Å; D171-Y173 HydrophobicContact CB-CE2 3.37Å; D171-Y173 WeakPolarHBondContact CB-OH 3.34Å; D171-Y173 VanDerWaalsContact CG-OH 3.22Å; D171-Y173 PolarHBondContact OD2-OH 3.24Å; Y173-V194 HydrophobicContact CD1-CG1 4.47Å; Y173-Y195 WeakPolarHBondContact CA-O 2.99Å; Y173-R196 HydrophobicContact CD1-CG 3.81Å; Y173-R196 HydrophobicContact CE1-CG 3.57Å
174	F	76.3	Confident	69.7	Low	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.3	167.8	-60.6	-77.1	0	0	0	109.8	G164 M165 V194 Y195 R197 F386 F390	G164-F174 CarbonylContact O-C 3.59Å; G164-F174 WeakPolarHBondContact O-CA 3.48Å; M165-F174 HydrophobicContact CB-CD1 4.05Å; M165-F174 HydrophobicContact CB-CE1 4.02Å; M165-F174 HydrophobicContact CG-CD1 4.21Å; M165-F174 HydrophobicContact CG-CE1 3.89Å; M165-F174 HydrophobicContact SD-CE1 4.33Å; F174-V194 CarbonylContact O-C 3.53Å; F174-V194 VanDerWaalsContact O-CA 3.22Å; F174-V194 WeakPolarHBondContact O-CA 3.45Å; F174-V194 WeakPolarHBondContact O-CG1 3.47Å; F174-Y195 HydrophobicContact CB-CD2 4.09Å; F174-Y195 HydrophobicContact CB-CE1 4.23Å; F174-Y195 HydrophobicContact CB-CE2 3.65Å; F174-Y195 HydrophobicContact CD2-CD2 4.1Å; F174-Y195 AromaticContact CD2-CE2 3.8Å; F174-Y195 HydrophobicContact CD2-CE2 3.8Å; F174-Y195 HydrophobicContact CG-CE2 4.05Å; F174-Y195 PolarHBondContact N-O 2.03Å; F174-Y195 PolarHBondContact O-N 3.43Å; F174-R197 HydrophobicContact CE2-CB 4.05Å; F174-R197 HydrophobicContact CE2-CG 4.19Å; F174-F386 HydrophobicContact CD1-CB 3.5Å; F174-F386 HydrophobicContact CE1-CB 3.79Å; F174-F386 HydrophobicContact CG-CB 4.36Å; F174-F390 HydrophobicContact CZ-CE2 4.08Å
175	I	75.8	Confident	69	Low	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.9	172.8	-174.8	165.1	0	0	0	110.4	V40 P42 I81 I156 L162 A163 G164 I166 H192 V193 V194	V40-I175 HydrophobicContact CG2-CD1 4.4Å; P42-I175 HydrophobicContact CB-CD1 4.38Å; P42-I175 HydrophobicContact CG-CD1 4.16Å; I81-I175 HydrophobicContact CD1-CD1 3.67Å; I81-I175 HydrophobicContact CD1-CG2 4.48Å; I81-I175 HydrophobicContact CG1-CD1 4.14Å; I81-I175 HydrophobicContact CG2-CD1 4.19Å; I156-I175 HydrophobicContact CD1-CG2 3.82Å; I156-I175 HydrophobicContact CG1-CG2 4.47Å; L162-I175 HydrophobicContact CB-CD1 4.17Å; L162-I175 HydrophobicContact CD1-CD1 4.4Å; A163-I175 CarbonylContact C-O 3.49Å; A163-I175 VanDerWaalsContact CA-O 3.29Å; A163-I175 WeakPolarHBondContact CA-O 3.36Å; G164-I175 PolarHBondContact N-O 3.47Å; G164-I175 PolarHBondContact O-N 2.86Å; I166-I175 HydrophobicContact CD1-CG2 4.26Å; I175-H192 HydrophobicContact CD1-CB 3.97Å; I175-H192 HydrophobicContact CG1-CB 3.96Å; I175-V193 WeakPolarHBondContact CA-O 2.97Å; I175-V194 HydrophobicContact CB-CG2 4.04Å; I175-V194 HydrophobicContact CD1-CG2 3.8Å; I175-V194 HydrophobicContact CG1-CG2 3.81Å
176	E	77.5	Confident	68.3	Low	40 Å²	40	43.4 Å²	43.4	19%	0.187	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.3	165.7	66.3	-169.5	114.3	0	0	112.5	L162 H192 V193 Y195 F386	L162-E176 WeakPolarHBondContact O-CA 2.98Å; E176-H192 CarbonylContact O-C 3.54Å; E176-H192 VanDerWaalsContact O-CA 3.25Å; E176-H192 WeakPolarHBondContact O-CA 3.45Å; E176-H192 WeakPolarHBondContact O-CB 3.33Å; E176-V193 HydrophobicContact CG-CG1 3.66Å; E176-V193 PolarHBondContact N-O 3.07Å; E176-V193 PolarHBondContact O-N 2.71Å; E176-Y195 HydrophobicContact CG-CE1 4.4Å; E176-Y195 WeakPolarHBondContact OE1-CE1 3.28Å; E176-Y195 PolarHBondContact OE1-OH 2.92Å; E176-F386 HydrophobicContact CB-CE2 4.17Å
177	P	75.8	Confident	67.2	Low	10 Å²	10	48.5 Å²	48.5	7%	0.065	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	134.4	177.4	-12.2	26.6	0	0	0	110.9	D160 L162 E179	D160-P177 WeakPolarHBondContact O-CG 3.47Å; L162-P177 WeakPolarHBondContact O-CD 3.4Å; P177-E179 VanDerWaalsContact C-N 3.29Å; P177-E179 PolarHBondContact O-N 3.02Å
178	L	71.1	Confident	66.5	Low	92 Å²	92	54.5 Å²	54.5	48%	0.482	29%	0.286	S	S	.	.	S	Bend	trans	-65.8	-34.1	-177.8	-174.9	66.6	0	0	0	112.1	L39 V191	L39-L178 HydrophobicContact CD2-CD1 4.14Å; L39-L178 HydrophobicContact CD2-CD2 4.14Å; L178-V191 HydrophobicContact CB-CB 4.44Å; L178-V191 HydrophobicContact CB-CG1 4.34Å; L178-V191 WeakPolarHBondContact CB-O 3.41Å; L178-V191 HydrophobicContact CD2-CB 4.27Å; L178-V191 HydrophobicContact CD2-CG1 3.88Å; L178-V191 PolarHBondContact N-O 2.55Å
179	E	64.9	Low	65.9	Low	128 Å²	128	55.2 Å²	55.2	60%	0.598	29%	0.293	S	S	*	.	S	Bend	trans	-127.1	134.9	172.5	-64.7	-176.9	163	0	0	109.7	P177 T182 R190	P177-E179 VanDerWaalsContact C-N 3.29Å; P177-E179 PolarHBondContact O-N 3.02Å; E179-T182 HydrophobicContact CB-CG2 3.96Å; E179-T182 PolarHBondContact O-OG1 3.48Å; E179-R190 PolarHBondContact O-NE 3.05Å; E179-R190 PolarHBondContact O-NH2 2.66Å
180	K	64.1	Low	66.4	Low	83 Å²	83	52.5 Å²	52.5	36%	0.361	28%	0.278	S	S	.	.	S	Bend	trans	-90	147.7	-178.9	-69.2	171.1	-178.5	163.5	0	110.3	T182	K180-T182 VanDerWaalsContact C-N 3.28Å; K180-T182 PolarHBondContact O-N 2.95Å
181	G	58.8	Low	67	Low	42 Å²	42	52.5 Å²	52.5	43%	0.433	28%	0.276	S	S	.	.	S	Bend	trans	74.1	-3.7	179.6	0	0	0	0	0	117.6	D160 Q183 H272	D160-G181 PolarHBondContact OD2-N 3.19Å; G181-Q183 PolarHBondContact O-N 3.48Å; G181-H272 PolarHBondContact N-CE1 2.84Å; G181-H272 VanDerWaalsContact N-CE1 3.31Å
182	T	60.4	Low	67.6	Low	36 Å²	36	51.3 Å²	51.3	22%	0.221	27%	0.269	C	S	.	.			trans	-76.2	31.2	-178.2	48.2	0	0	0	0	114.8	E179 K180 E184 L185 R190	E179-T182 HydrophobicContact CB-CG2 3.96Å; E179-T182 PolarHBondContact O-OG1 3.48Å; K180-T182 VanDerWaalsContact C-N 3.28Å; K180-T182 PolarHBondContact O-N 2.95Å; T182-E184 VanDerWaalsContact C-N 3.32Å; T182-E184 PolarHBondContact O-N 2.83Å; T182-L185 PolarHBondContact O-N 2.55Å; T182-L185 VanDerWaalsContact O-N 3.12Å; T182-R190 PolarHBondContact OG1-NE 2.8Å
183	Q	59.7	Low	68	Low	44 Å²	44	52.2 Å²	52.2	21%	0.206	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-58.7	-37.3	-174.4	-61.8	-177.4	10.9	0	0	113	T59 H60 D160 G181 L185 E186	T59-Q183 PolarHBondContact OG1-OE1 2.61Å; H60-Q183 PolarHBondContact CE1-O 2.92Å; H60-Q183 PolarHBondContact NE2-O 2.89Å; D160-Q183 VanDerWaalsContact CG-NE2 3.34Å; D160-Q183 VanDerWaalsContact OD1-CG 3.27Å; D160-Q183 WeakPolarHBondContact OD1-CG 3.27Å; D160-Q183 PolarHBondContact OD1-NE2 2.88Å; G181-Q183 PolarHBondContact O-N 3.48Å; Q183-L185 PolarHBondContact O-N 3.34Å; Q183-L185 VanDerWaalsContact O-N 3.16Å; Q183-E186 WeakPolarHBondContact O-CB 3.46Å; Q183-E186 PolarHBondContact O-N 2.03Å; Q183-E186 VanDerWaalsContact O-N 3.14Å
184	E	55.9	Low	68	Low	145 Å²	145	52.2 Å²	52.2	68%	0.678	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-72.7	-4.6	-178.7	-57.6	-154.6	129.7	0	0	114.3	R63 T182	R63-E184 IonicContact CZ-OE1 3.86Å; R63-E184 IonicContact NH1-OE1 3.61Å; R63-E184 PolarHBondContact NH1-OE1 2.87Å; R63-E184 IonicContact NH2-OE1 3.89Å; R63-E184 PolarHBondContact NH2-OE1 3.46Å; T182-E184 VanDerWaalsContact C-N 3.32Å; T182-E184 PolarHBondContact O-N 2.83Å
185	L	58.2	Low	67.7	Low	104 Å²	104	53.1 Å²	53.1	55%	0.545	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-105.8	-1.3	173.3	-63	174.1	0	0	0	113.1	T182 Q183 D187 Q188	T182-L185 PolarHBondContact O-N 2.55Å; T182-L185 VanDerWaalsContact O-N 3.12Å; Q183-L185 PolarHBondContact O-N 3.34Å; Q183-L185 VanDerWaalsContact O-N 3.16Å; L185-D187 VanDerWaalsContact C-N 3.31Å; L185-D187 PolarHBondContact O-N 3.26Å; L185-Q188 WeakPolarHBondContact O-CB 3.4Å; L185-Q188 PolarHBondContact O-N 3.31Å
186	E	65.7	Low	67.2	Low	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-65.8	-28.9	-167.3	-170.4	169.7	173.6	0	0	114	H54 L55 L56 S57 H60 Q183 Q188 G189 R190	H54-E186 WeakPolarHBondContact CB-O 3Å; H54-E186 WeakPolarHBondContact O-CG 3.16Å; L55-E186 HydrophobicContact CD2-CB 4.15Å; L55-E186 HydrophobicContact CD2-CG 4.17Å; L56-E186 WeakPolarHBondContact CA-OE1 3.14Å; L56-E186 VanDerWaalsContact CB-OE1 3.26Å; L56-E186 WeakPolarHBondContact CB-OE1 3.02Å; L56-E186 PolarHBondContact N-OE1 3.04Å; S57-E186 WeakPolarHBondContact CB-OE2 3.47Å; S57-E186 PolarHBondContact N-OE1 3.47Å; S57-E186 VanDerWaalsContact OG-CD 3.24Å; S57-E186 PolarHBondContact OG-OE1 2.99Å; S57-E186 VanDerWaalsContact OG-OE1 3.11Å; S57-E186 PolarHBondContact OG-OE2 2.03Å; H60-E186 IonicContact CD2-OE2 3.95Å; H60-E186 IonicContact NE2-OE2 3.76Å; Q183-E186 WeakPolarHBondContact O-CB 3.46Å; Q183-E186 PolarHBondContact O-N 2.03Å; Q183-E186 VanDerWaalsContact O-N 3.14Å; E186-Q188 PolarHBondContact O-N 3.09Å; E186-Q188 VanDerWaalsContact O-N 3.07Å; E186-G189 PolarHBondContact O-N 3.43Å; E186-R190 HydrophobicContact CB-CB 4.45Å; E186-R190 HydrophobicContact CG-CB 3.98Å; E186-R190 IonicContact OE2-NH1 2.67Å
187	D	58.4	Low	66.5	Low	108 Å²	108	55 Å²	55	58%	0.578	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-53.6	-25.6	171.2	-79.2	-45.5	0	0	0	113.7	L55 L185	L55-D187 WeakPolarHBondContact CD2-OD1 3.25Å; L55-D187 WeakPolarHBondContact CG-OD1 3.49Å; L185-D187 VanDerWaalsContact C-N 3.31Å; L185-D187 PolarHBondContact O-N 3.26Å
188	Q	60.5	Low	65.5	Low	159 Å²	159	57 Å²	57	74%	0.743	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-89.3	-5.3	-178.1	-56.9	-176.4	32.1	0	0	113.7	L185 E186	L185-Q188 WeakPolarHBondContact O-CB 3.4Å; L185-Q188 PolarHBondContact O-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.09Å; E186-Q188 VanDerWaalsContact O-N 3.07Å
189	G	60.8	Low	64.4	Low	17 Å²	17	52.8 Å²	52.8	18%	0.175	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.2	83.8	-174.4	0	0	0	0	0	113.4	H54 E186 V191	H54-G189 VanDerWaalsContact CG-CA 3.45Å; E186-G189 PolarHBondContact O-N 3.43Å; G189-V191 PolarHBondContact O-N 3.27Å
190	R	75.4	Confident	63.8	Low	11 Å²	11	51 Å²	51	4%	0.042	27%	0.271	C	S	.	.			trans	-68.6	118.5	174.3	-172.1	172.9	-176.4	-176.5	-1.6	111	D160 E179 T182 E186 H192	D160-R190 IonicContact OD1-CZ 3.65Å; D160-R190 VanDerWaalsContact OD1-CZ 3.3Å; D160-R190 IonicContact OD1-NH1 3.26Å; D160-R190 PolarHBondContact OD1-NH1 3.1Å; D160-R190 IonicContact OD1-NH2 3.07Å; D160-R190 PolarHBondContact OD1-NH2 3.24Å; D160-R190 IonicContact OD2-NH2 3.65Å; E179-R190 PolarHBondContact O-NE 3.05Å; E179-R190 PolarHBondContact O-NH2 2.66Å; T182-R190 PolarHBondContact OG1-NE 2.8Å; E186-R190 HydrophobicContact CB-CB 4.45Å; E186-R190 HydrophobicContact CG-CB 3.98Å; E186-R190 IonicContact OE2-NH1 2.67Å; R190-H192 PolarHBondContact O-CE1 3.16Å; R190-H192 PolarHBondContact O-ND1 3.41Å
191	V	75.6	Confident	62.8	Low	54 Å²	54	52 Å²	52	33%	0.327	28%	0.28	S	S	.	.			trans	-72.3	137	178.5	-176.8	0	0	0	0	110.5	L39 L178 G189	L39-V191 HydrophobicContact CB-CG1 4.2Å; L39-V191 HydrophobicContact CD2-CG1 4.18Å; L178-V191 HydrophobicContact CB-CB 4.44Å; L178-V191 HydrophobicContact CB-CG1 4.34Å; L178-V191 WeakPolarHBondContact CB-O 3.41Å; L178-V191 HydrophobicContact CD2-CB 4.27Å; L178-V191 HydrophobicContact CD2-CG1 3.88Å; L178-V191 PolarHBondContact N-O 2.55Å; G189-V191 PolarHBondContact O-N 3.27Å
192	H	78.1	Confident	61.6	Low	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.5	175.2	-66.7	61.3	0	0	0	108.8	V40 P42 L56 L162 I175 E176 R190	V40-H192 HydrophobicContact CG2-CB 4.19Å; V40-H192 PolarHBondContact N-O 2.87Å; V40-H192 PolarHBondContact O-N 3.06Å; P42-H192 VanDerWaalsContact CD-ND1 3.29Å; P42-H192 WeakPolarHBondContact CD-ND1 3.19Å; P42-H192 HydrophobicContact CG-CB 4.05Å; P42-H192 WeakPolarHBondContact CG-ND1 3.02Å; L56-H192 WeakPolarHBondContact CD1-CE1 3.36Å; L162-H192 PolarHBondContact N-NE2 3.39Å; L162-H192 PolarHBondContact O-CD2 2.89Å; L162-H192 VanDerWaalsContact O-CD2 3.23Å; I175-H192 HydrophobicContact CD1-CB 3.97Å; I175-H192 HydrophobicContact CG1-CB 3.96Å; E176-H192 CarbonylContact O-C 3.54Å; E176-H192 VanDerWaalsContact O-CA 3.25Å; E176-H192 WeakPolarHBondContact O-CA 3.45Å; E176-H192 WeakPolarHBondContact O-CB 3.33Å; R190-H192 PolarHBondContact O-CE1 3.16Å; R190-H192 PolarHBondContact O-ND1 3.41Å
193	V	79.2	Confident	60	Low	24 Å²	24	55.6 Å²	55.6	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.8	168.5	65.1	0	0	0	0	108.7	Y37 L39 I175 E176 Y195	Y37-V193 HydrophobicContact CD1-CG2 4.29Å; L39-V193 HydrophobicContact CD2-CB 4.21Å; L39-V193 HydrophobicContact CD2-CG2 4.34Å; I175-V193 WeakPolarHBondContact CA-O 2.97Å; E176-V193 HydrophobicContact CG-CG1 3.66Å; E176-V193 PolarHBondContact N-O 3.07Å; E176-V193 PolarHBondContact O-N 2.71Å; V193-Y195 HydrophobicContact CG1-CD1 4.29Å; V193-Y195 HydrophobicContact CG1-CE1 4.26Å; V193-Y195 HydrophobicContact CG2-CD1 4.25Å
194	V	74.9	Confident	58.5	Low	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.4	169.5	-175.2	0	0	0	0	108	G38 V40 I81 A83 F84 Y173 F174 I175	G38-V194 PolarHBondContact N-O 2.87Å; G38-V194 PolarHBondContact O-N 3.2Å; V40-V194 HydrophobicContact CB-CG2 4.5Å; V40-V194 HydrophobicContact CG1-CG2 4.14Å; V40-V194 HydrophobicContact CG2-CG2 3.51Å; I81-V194 HydrophobicContact CG2-CG2 3.82Å; A83-V194 HydrophobicContact CB-CB 4Å; A83-V194 HydrophobicContact CB-CG1 3.82Å; A83-V194 HydrophobicContact CB-CG2 4.3Å; F84-V194 HydrophobicContact CE2-CG1 4.07Å; F84-V194 VanDerWaalsContact CZ-O 3.29Å; F84-V194 WeakPolarHBondContact CZ-O 3.31Å; Y173-V194 HydrophobicContact CD1-CG1 4.47Å; F174-V194 CarbonylContact O-C 3.53Å; F174-V194 VanDerWaalsContact O-CA 3.22Å; F174-V194 WeakPolarHBondContact O-CA 3.45Å; F174-V194 WeakPolarHBondContact O-CG1 3.47Å; I175-V194 HydrophobicContact CB-CG2 4.04Å; I175-V194 HydrophobicContact CD1-CG2 3.8Å; I175-V194 HydrophobicContact CG1-CG2 3.81Å
195	Y	70.4	Confident	57.1	Low	18 Å²	18	57.9 Å²	57.9	7%	0.071	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.6	179.2	48.3	-83.9	0	0	0	111.1	Y37 Y173 F174 E176 V193 L200	Y37-Y195 HydrophobicContact CD1-CG 4.43Å; Y37-Y195 HydrophobicContact CE1-CG 4.29Å; Y173-Y195 WeakPolarHBondContact CA-O 2.99Å; F174-Y195 HydrophobicContact CB-CD2 4.09Å; F174-Y195 HydrophobicContact CB-CE1 4.23Å; F174-Y195 HydrophobicContact CB-CE2 3.65Å; F174-Y195 HydrophobicContact CD2-CD2 4.1Å; F174-Y195 AromaticContact CD2-CE2 3.8Å; F174-Y195 HydrophobicContact CD2-CE2 3.8Å; F174-Y195 HydrophobicContact CG-CE2 4.05Å; F174-Y195 PolarHBondContact N-O 2.03Å; F174-Y195 PolarHBondContact O-N 3.43Å; E176-Y195 HydrophobicContact CG-CE1 4.4Å; E176-Y195 WeakPolarHBondContact OE1-CE1 3.28Å; E176-Y195 PolarHBondContact OE1-OH 2.92Å; V193-Y195 HydrophobicContact CG1-CD1 4.29Å; V193-Y195 HydrophobicContact CG1-CE1 4.26Å; V193-Y195 HydrophobicContact CG2-CD1 4.25Å; Y195-L200 HydrophobicContact CD2-CD2 4.41Å; Y195-L200 HydrophobicContact CD2-CG 4.49Å; Y195-L200 HydrophobicContact CE2-CD1 4.36Å; Y195-L200 HydrophobicContact CE2-CD2 4.47Å
196	R	66.3	Low	55.6	Low	58 Å²	58	59.4 Å²	59.4	22%	0.219	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	148.6	167.6	-68.1	176.5	-175.9	-119.5	-3.6	108.9	F84 D171 E172 Y173 S198 A199	F84-R196 HydrophobicContact CD2-CG 4.41Å; F84-R196 HydrophobicContact CE2-CG 4.09Å; F84-R196 HydrophobicContact CZ-CG 4.25Å; D171-R196 IonicContact OD1-CZ 2.65Å; D171-R196 IonicContact OD1-NH1 3.65Å; D171-R196 PolarHBondContact OD1-NH1 3.06Å; D171-R196 IonicContact OD2-CZ 2.73Å; D171-R196 IonicContact OD2-NH1 3.55Å; D171-R196 PolarHBondContact OD2-NH1 3.49Å; D171-R196 IonicContact OD2-NH2 2.66Å; E172-R196 WeakPolarHBondContact O-CA 2.99Å; Y173-R196 HydrophobicContact CD1-CG 3.81Å; Y173-R196 HydrophobicContact CE1-CG 3.57Å; R196-S198 PolarHBondContact O-N 2.95Å; R196-S198 VanDerWaalsContact O-N 3.15Å; R196-A199 HydrophobicContact CB-CB 4.44Å; R196-A199 WeakPolarHBondContact O-CB 3.49Å; R196-A199 PolarHBondContact O-N 2.87Å
197	R	61.8	Low	53.7	Low	23 Å²	23	66 Å²	66	9%	0.087	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-54.4	-32.8	171	-172.3	168.4	180	-171.2	-2.2	112.8	E172 F174 A199 A427	E172-R197 HydrophobicContact CB-CB 4.22Å; E172-R197 PolarHBondContact O-N 2.83Å; E172-R197 VanDerWaalsContact O-N 3.09Å; E172-R197 IonicContact OE1-NH1 2.71Å; E172-R197 WeakPolarHBondContact OE2-CD 3.02Å; E172-R197 IonicContact OE2-CZ 3.62Å; E172-R197 IonicContact OE2-NE 3.82Å; E172-R197 IonicContact OE2-NH1 3.25Å; E172-R197 PolarHBondContact OE2-NH1 2.89Å; F174-R197 HydrophobicContact CE2-CB 4.05Å; F174-R197 HydrophobicContact CE2-CG 4.19Å; R197-A199 VanDerWaalsContact C-N 3.33Å; R197-A199 PolarHBondContact O-N 3.23Å; R197-A427 HydrophobicContact CG-CB 3.85Å
198	S	55.2	Low	52.1	Low	52 Å²	52	65.9 Å²	65.9	36%	0.364	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-70.4	-19.3	175.2	65.5	0	0	0	0	115.2	R196 L200 L201	R196-S198 PolarHBondContact O-N 2.95Å; R196-S198 VanDerWaalsContact O-N 3.15Å; S198-L200 PolarHBondContact O-N 3.34Å; S198-L201 WeakPolarHBondContact O-CB 3.47Å; S198-L201 PolarHBondContact O-N 2.97Å
199	A	48.4	Very low	50.5	Low	3 Å²	3	66.4 Å²	66.4	3%	0.025	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-67.5	-18.7	-175.4	0	0	0	0	0	113.6	E36 Y37 R196 R197 L201	E36-A199 HydrophobicContact CB-CB 3.52Å; E36-A199 VanDerWaalsContact O-CB 3.28Å; E36-A199 WeakPolarHBondContact O-CB 3.3Å; Y37-A199 HydrophobicContact CD2-CB 4.2Å; Y37-A199 HydrophobicContact CE1-CB 4.32Å; Y37-A199 HydrophobicContact CE2-CB 3.66Å; Y37-A199 WeakPolarHBondContact CE2-O 3.46Å; Y37-A199 VanDerWaalsContact OH-C 3.28Å; Y37-A199 PolarHBondContact OH-O 2.9Å; R196-A199 HydrophobicContact CB-CB 4.44Å; R196-A199 WeakPolarHBondContact O-CB 3.49Å; R196-A199 PolarHBondContact O-N 2.87Å; R197-A199 VanDerWaalsContact C-N 3.33Å; R197-A199 PolarHBondContact O-N 3.23Å; A199-L201 VanDerWaalsContact C-N 3.26Å; A199-L201 PolarHBondContact O-N 3.17Å
200	L	51.4	Low	48.7	Very low	90 Å²	90	71.3 Å²	71.3	47%	0.471	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-80.9	-5.2	-178.7	-59.7	170	0	0	0	112.5	Y195 S198	Y195-L200 HydrophobicContact CD2-CD2 4.41Å; Y195-L200 HydrophobicContact CD2-CG 4.49Å; Y195-L200 HydrophobicContact CE2-CD1 4.36Å; Y195-L200 HydrophobicContact CE2-CD2 4.47Å; S198-L200 PolarHBondContact O-N 3.34Å
201	L	44.4	Very low	46.3	Very low	104 Å²	104	81.6 Å²	81.6	55%	0.545	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-94.1	3.7	-168.4	-63.4	174.8	0	0	0	115.4	S198 A199 A203 A428	S198-L201 WeakPolarHBondContact O-CB 3.47Å; S198-L201 PolarHBondContact O-N 2.97Å; A199-L201 VanDerWaalsContact C-N 3.26Å; A199-L201 PolarHBondContact O-N 3.17Å; L201-A203 PolarHBondContact O-N 2.91Å; L201-A428 HydrophobicContact CD1-CB 4.46Å
202	Q	32.2	Very low	43.7	Very low	75 Å²	75	85.7 Å²	85.7	35%	0.35	47%	0.467	S	S	.	.			trans	-95.2	49.5	178.1	-71.2	-157.9	40.2	0	0	114.7	R33 E36	R33-Q202 VanDerWaalsContact NE-OE1 3.1Å; R33-Q202 PolarHBondContact NH2-O 3.45Å; E36-Q202 PolarHBondContact OE1-NE2 2.84Å; E36-Q202 PolarHBondContact OE2-NE2 3.38Å
203	A	28.5	Very low	41.2	Very low	78 Å²	78	92.5 Å²	92.5	65%	0.645	50%	0.503	S	S	*	.	S	Bend	trans	-56.8	149	148.2	0	0	0	0	0	109.3	L201 S205	L201-A203 PolarHBondContact O-N 2.91Å; A203-S205 PolarHBondContact O-N 2.95Å
204	P	27.6	Very low	38.4	Very low	110 Å²	110	100.2 Å²	100.2	71%	0.714	54%	0.537	S	S	*	.			trans	-62.2	123.4	179.2	-21.1	33.3	0	0	0	111.1	D206	P204-D206 PolarHBondContact O-N 2.91Å
205	S	27.2	Very low	35.9	Very low	128 Å²	128	103.9 Å²	103.9	90%	0.895	58%	0.575	S	S	*	*			trans	-75	77.2	169.9	59.6	0	0	0	0	109.6	A203	A203-S205 PolarHBondContact O-N 2.95Å
206	D	25.9	Very low	33.6	Very low	136 Å²	136	108 Å²	108	73%	0.727	61%	0.612	S	S	*	*			trans	-92	136.4	170.7	-137.8	-31.1	0	0	0	111	P204	P204-D206 PolarHBondContact O-N 2.91Å
207	N	26.6	Very low	31.6	Very low	139 Å²	139	112.9 Å²	112.9	74%	0.743	64%	0.638	S	S	*	*			trans	-32	126	-168.3	-64.6	-85.6	0	0	0	118.5
208	S	24.3	Very low	30.1	Very low	104 Å²	104	117.2 Å²	117.2	73%	0.727	67%	0.669	S	S	*	*				41.2	113.6	125.6	165.8	0	0	0	0	118.6
209	L	25.9	Very low	28.6	Very low	171 Å²	171	122.6 Å²	122.6	90%	0.895	69%	0.688	S	S	*	*				-150.4	136.8	120.9	-113.1	158.9	0	0	0	111.9
210	D	23.2	Very low	27.4	Very low	119 Å²	119	131 Å²	131	64%	0.636	73%	0.732	S	S	*	*			trans	-82.9	146.4	179.7	-179.5	18.2	0	0	0	111
211	Y	24.6	Very low	26	Very low	227 Å²	227	130 Å²	130	89%	0.89	74%	0.743	S	S	*	*			trans	-163.3	149.5	142.3	-118.6	-76.2	0	0	0	112.3
212	Q	22.2	Very low	25	Very low	141 Å²	141	132.3 Å²	132.3	66%	0.659	76%	0.761	S	S	*	*			trans	-106.3	149.5	-164.7	-51.9	178.2	-65.3	0	0	114.8
213	L	24.5	Very low	24.6	Very low	143 Å²	143	133.4 Å²	133.4	75%	0.749	78%	0.783	S	S	*	*			trans	71	150.6	136.4	-79.5	167.7	0	0	0	123
214	Q	21.8	Very low	24.4	Very low	186 Å²	186	133.1 Å²	133.1	87%	0.869	79%	0.788	S	S	*	*			trans	85.1	109.7	154	-73.8	162	9.2	0	0	121.5
215	G	22.2	Very low	24.2	Very low	76 Å²	76	133.7 Å²	133.7	78%	0.784	79%	0.794	S	S	*	*				131.5	135	105.4	0	0	0	0	0	120
216	A	21.8	Very low	24.3	Very low	105 Å²	105	134.3 Å²	134.3	87%	0.868	79%	0.787	S	S	*	*			trans	76.1	99.6	142.8	0	0	0	0	0	122.1
217	E	23.3	Very low	24.4	Very low	160 Å²	160	134.1 Å²	134.1	75%	0.748	79%	0.786	S	S	*	*				-39	153.1	124.4	-84.8	-78.7	135.7	0	0	112.3
218	P	30.6	Very low	24.5	Very low	114 Å²	114	132.3 Å²	132.3	74%	0.74	78%	0.784	S	S	*	*				-153.3	176.7	53.7	43	-22.3	0	0	0	120.1
219	E	24.8	Very low	24.9	Very low	166 Å²	166	134.1 Å²	134.1	78%	0.776	79%	0.785	S	S	*	*			trans	-19.6	140.5	159.7	-50.3	178.9	128.5	0	0	119.6
220	L	22.6	Very low	25.3	Very low	180 Å²	180	129.7 Å²	129.7	94%	0.942	77%	0.765	S	S	*	*				-162.2	154	121.8	-136.7	73.5	0	0	0	111.3
221	G	21.9	Very low	25.8	Very low	67 Å²	67	132.4 Å²	132.4	69%	0.691	77%	0.774	S	S	*	*			trans	-151.4	-178.5	176.8	0	0	0	0	0	113.5
222	V	23.3	Very low	26.3	Very low	153 Å²	153	129.6 Å²	129.6	93%	0.927	77%	0.769	S	S	*	*			trans	-170.3	151.9	160.3	133	0	0	0	0	109.5
223	A	24.2	Very low	27.1	Very low	99 Å²	99	126.9 Å²	126.9	82%	0.818	76%	0.761	S	S	*	*			trans	-105.9	165.7	-176.2	0	0	0	0	0	113.7
224	G	24.3	Very low	27.4	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	75%	0.75	S	S	*	*			trans	172.1	114.3	163.9	0	0	0	0	0	117.7
225	S	23.6	Very low	27.9	Very low	122 Å²	122	123.7 Å²	123.7	85%	0.853	75%	0.746	S	S	*	*			trans	68.2	149.1	164.4	-90.5	0	0	0	0	118.6
226	L	27.7	Very low	28.6	Very low	140 Å²	140	124.5 Å²	124.5	73%	0.733	74%	0.736	S	S	*	*			cis	-143.2	126	3.2	-178.3	60.7	0	0	0	112.5	S228	L226-S228 PolarHBondContact O-N 2.85Å
227	D	30	Very low	29.5	Very low	133 Å²	133	122 Å²	122	71%	0.711	71%	0.71	S	S	*	*			trans	-65.3	116.5	163.6	-95.6	-70.3	0	0	0	110.9	T230	D227-T230 PolarHBondContact OD1-OG1 2.82Å
228	S	28.1	Very low	30	Very low	101 Å²	101	120.8 Å²	120.8	71%	0.706	70%	0.704	S	S	*	*			trans	-154.7	0.5	168.7	-157.3	0	0	0	0	115.4	L226	L226-S228 PolarHBondContact O-N 2.85Å
229	L	32.7	Very low	30.1	Very low	142 Å²	142	123.1 Å²	123.1	74%	0.743	70%	0.704	S	S	*	*	S	Bend	trans	-113.3	-19.5	-178.8	-63.5	173.4	0	0	0	113.2	Q231 Q232	L229-Q231 PolarHBondContact O-N 2.91Å; L229-Q231 VanDerWaalsContact O-N 3.14Å; L229-Q232 PolarHBondContact O-N 2.79Å
230	T	34.6	Very low	30.8	Very low	78 Å²	78	123 Å²	123	48%	0.479	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.5	-13.9	-171.5	9.8	0	0	0	0	115.1	D227 N234	D227-T230 PolarHBondContact OD1-OG1 2.82Å; T230-N234 PolarHBondContact O-ND2 3.12Å
231	Q	32.7	Very low	31.4	Very low	176 Å²	176	123.4 Å²	123.4	82%	0.822	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-24.3	-179.6	-74.3	-168.8	-10.4	0	0	115.4	L229	L229-Q231 PolarHBondContact O-N 2.91Å; L229-Q231 VanDerWaalsContact O-N 3.14Å
232	Q	34.6	Very low	32.1	Very low	168 Å²	168	131.5 Å²	131.5	79%	0.785	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-32.1	178	-77.7	-173.1	-28.4	0	0	112.9	L229 N234	L229-Q232 PolarHBondContact O-N 2.79Å; Q232-N234 PolarHBondContact O-N 3.1Å
233	V	39.1	Very low	32.9	Very low	83 Å²	83	132.7 Å²	132.7	50%	0.503	69%	0.691	S	S	.	*	H	α-helix	trans	-64.7	-36.6	-177.6	179.8	0	0	0	0	112.8	Q235 T236 V237	V233-Q235 VanDerWaalsContact C-N 3.27Å; V233-Q235 PolarHBondContact O-N 3.1Å; V233-T236 PolarHBondContact O-N 3.25Å; V233-T236 PolarHBondContact O-OG1 2.77Å; V233-T236 VanDerWaalsContact O-OG1 3.08Å; V233-V237 HydrophobicContact CG1-CG2 3.83Å; V233-V237 WeakPolarHBondContact O-CG2 3.1Å; V233-V237 PolarHBondContact O-N 2.79Å
234	N	30.6	Very low	33.9	Very low	97 Å²	97	135.1 Å²	135.1	52%	0.519	68%	0.679	S	S	.	*	H	α-helix	trans	-64.1	-27	-173.3	-83.2	-47.2	0	0	0	114.2	T230 Q232 H238	T230-N234 PolarHBondContact O-ND2 3.12Å; Q232-N234 PolarHBondContact O-N 3.1Å; N234-H238 PolarHBondContact O-CD2 3Å; N234-H238 VanDerWaalsContact O-CD2 3.25Å
235	Q	33.2	Very low	34.3	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	69%	0.685	S	S	*	*	H	α-helix	trans	-80	-32	-178.4	-65	-170.6	-2.9	0	0	113.1	V233	V233-Q235 VanDerWaalsContact C-N 3.27Å; V233-Q235 PolarHBondContact O-N 3.1Å
236	T	36.8	Very low	35	Very low	93 Å²	93	144.6 Å²	144.6	57%	0.571	69%	0.686	S	S	*	*	H	α-helix	trans	-78.1	-36.4	174.6	38.3	0	0	0	0	112.7	V233 H238 H239 R240	V233-T236 PolarHBondContact O-N 3.25Å; V233-T236 PolarHBondContact O-OG1 2.77Å; V233-T236 VanDerWaalsContact O-OG1 3.08Å; T236-H238 VanDerWaalsContact C-N 3.32Å; T236-H238 PolarHBondContact O-N 3.45Å; T236-H239 PolarHBondContact O-N 3.48Å; T236-R240 PolarHBondContact O-N 3.07Å
237	V	40.8	Very low	35.4	Very low	52 Å²	52	142.3 Å²	142.3	32%	0.315	69%	0.687	S	S	.	*	H	α-helix	trans	-57.3	-41.8	178.1	166.8	0	0	0	0	112.3	V233 H239 R240 R241	V233-V237 HydrophobicContact CG1-CG2 3.83Å; V233-V237 WeakPolarHBondContact O-CG2 3.1Å; V233-V237 PolarHBondContact O-N 2.79Å; V237-H239 VanDerWaalsContact C-N 3.3Å; V237-H239 PolarHBondContact O-N 3.25Å; V237-R240 PolarHBondContact O-N 3.48Å; V237-R241 WeakPolarHBondContact O-CB 3.46Å; V237-R241 PolarHBondContact O-N 3.36Å; V237-R241 VanDerWaalsContact O-N 3.09Å
238	H	33.4	Very low	35.8	Very low	135 Å²	135	140 Å²	140	63%	0.625	69%	0.686	S	S	*	*	H	α-helix	trans	-66.1	-27	-179.2	-83.8	-63.6	0	0	0	114.3	N234 T236	N234-H238 PolarHBondContact O-CD2 3Å; N234-H238 VanDerWaalsContact O-CD2 3.25Å; T236-H238 VanDerWaalsContact C-N 3.32Å; T236-H238 PolarHBondContact O-N 3.45Å
239	H	33.9	Very low	36.8	Very low	162 Å²	162	143.7 Å²	143.7	75%	0.75	69%	0.692	S	S	*	*	H	α-helix	trans	-80.1	-45.5	173.9	-101.9	-78	0	0	0	112.4	T236 V237 R241 R242	T236-H239 PolarHBondContact O-N 3.48Å; V237-H239 VanDerWaalsContact C-N 3.3Å; V237-H239 PolarHBondContact O-N 3.25Å; H239-R241 VanDerWaalsContact C-N 3.29Å; H239-R241 PolarHBondContact O-N 3.18Å; H239-R242 PolarHBondContact O-N 3.45Å
240	R	39.2	Very low	37.9	Very low	163 Å²	163	141.4 Å²	141.4	62%	0.615	68%	0.681	S	S	*	*	H	α-helix	trans	-60.5	-35.7	177.5	-85	-174.6	168.1	-173.3	-4.8	112.6	T236 V237 R242 Q243 R244	T236-R240 PolarHBondContact O-N 3.07Å; V237-R240 PolarHBondContact O-N 3.48Å; R240-R242 PolarHBondContact O-N 3.15Å; R240-Q243 PolarHBondContact O-N 2.86Å; R240-Q243 VanDerWaalsContact O-N 3.13Å; R240-R244 PolarHBondContact O-N 3.33Å
241	R	34.6	Very low	39.5	Very low	190 Å²	190	142.2 Å²	142.2	72%	0.717	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-12.8	178.7	-93.9	-174.1	170	179.1	-1.9	116	V237 H239	V237-R241 WeakPolarHBondContact O-CB 3.46Å; V237-R241 PolarHBondContact O-N 3.36Å; V237-R241 VanDerWaalsContact O-N 3.09Å; H239-R241 VanDerWaalsContact C-N 3.29Å; H239-R241 PolarHBondContact O-N 3.18Å
242	R	36.6	Very low	41.9	Very low	237 Å²	237	134.6 Å²	134.6	89%	0.894	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-6.9	176.9	-113.8	-179.9	179.6	178.1	0.2	115	H239 R240	H239-R242 PolarHBondContact O-N 3.45Å; R240-R242 PolarHBondContact O-N 3.15Å
243	Q	40.6	Very low	44.4	Very low	178 Å²	178	127.1 Å²	127.1	83%	0.832	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-28.5	-174.9	-155	167.9	2.5	0	0	112.9	R240 R245	R240-Q243 PolarHBondContact O-N 2.86Å; R240-Q243 VanDerWaalsContact O-N 3.13Å; Q243-R245 PolarHBondContact O-N 2.61Å
244	R	45.3	Very low	46.8	Very low	149 Å²	149	123.2 Å²	123.2	56%	0.562	59%	0.588	S	S	*	*			trans	-82.6	88.1	170.4	-74.5	-175.5	168.8	-172.8	-6.4	111.2	R240	R240-R244 PolarHBondContact O-N 3.33Å
245	R	33.5	Very low	49.6	Very low	231 Å²	231	119.2 Å²	119.2	87%	0.872	57%	0.566	S	S	*	*			trans	-129.9	2.6	168.8	-112	-173.9	-177.2	-164.6	-1.8	115.2	Q243	Q243-R245 PolarHBondContact O-N 2.61Å
246	N	37.3	Very low	52.5	Low	163 Å²	163	111.4 Å²	111.4	87%	0.872	53%	0.529	S	S	*	.			trans	-124.1	39.5	-175.8	-63.8	17.3	0	0	0	111.8
247	A	36.5	Very low	55.2	Low	91 Å²	91	107 Å²	107	75%	0.752	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-79.6	143.3	158	0	0	0	0	0	108.1
248	A	37.5	Very low	57.7	Low	85 Å²	85	104.5 Å²	104.5	70%	0.702	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-71.4	149.5	167	0	0	0	0	0	109.2	N250	A248-N250 PolarHBondContact O-N 2.95Å
249	E	50.5	Low	60.6	Low	179 Å²	179	98.1 Å²	98.1	84%	0.836	46%	0.458	S	S	*	.	S	Bend	trans	-78.3	118.9	-174.2	-64	178.1	100.4	0	0	111.8
250	N	54.3	Low	63.5	Low	94 Å²	94	90.4 Å²	90.4	50%	0.503	42%	0.422	S	S	.	.	S	Bend	trans	91.7	13.6	159.4	-41.6	-66.1	0	0	0	120.7	A248	A248-N250 PolarHBondContact O-N 2.95Å
251	D	68.4	Low	65.9	Low	94 Å²	94	82.6 Å²	82.6	50%	0.503	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.6	166.1	-67.7	-25.3	0	0	0	111.1
252	Y	84.3	Confident	68.5	Low	16 Å²	16	74.3 Å²	74.3	6%	0.063	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.2	175	-60.3	-98.2	0	0	0	111.5	V295 H296 N298 I446 L452 L453	Y252-V295 HydrophobicContact CD2-CG1 3.48Å; Y252-V295 VanDerWaalsContact CD2-CG1 3.48Å; Y252-V295 HydrophobicContact CE2-CG1 3.58Å; Y252-H296 PolarHBondContact N-O 3.11Å; Y252-N298 PolarHBondContact O-N 2.03Å; Y252-N298 PolarHBondContact O-ND2 2.78Å; Y252-I446 HydrophobicContact CD1-CD1 3.98Å; Y252-I446 HydrophobicContact CD1-CG1 3.82Å; Y252-I446 HydrophobicContact CD2-CD1 4.49Å; Y252-I446 HydrophobicContact CD2-CG1 4.04Å; Y252-I446 HydrophobicContact CE1-CD1 4.25Å; Y252-I446 HydrophobicContact CE1-CG1 3.61Å; Y252-I446 HydrophobicContact CE2-CG1 3.86Å; Y252-I446 HydrophobicContact CG-CD1 4.11Å; Y252-I446 HydrophobicContact CG-CG1 4.03Å; Y252-L452 WeakPolarHBondContact CA-O 3.4Å; Y252-L452 HydrophobicContact CD1-CB 4.08Å; Y252-L453 HydrophobicContact CD1-CD2 3.73Å; Y252-L453 HydrophobicContact CE1-CD2 3.48Å; Y252-L453 VanDerWaalsContact CE1-CD2 3.48Å; Y252-L453 HydrophobicContact CE1-CG 4.43Å
253	N	85.9	Confident	71	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.064	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.5	176	-53.4	-70.7	0	0	0	109.9	N298 V300 L452 D454	N253-N298 CarbonylContact C-O 3.59Å; N253-N298 WeakPolarHBondContact CA-O 3.13Å; N253-N298 WeakPolarHBondContact OD1-CB 3.19Å; N253-N298 PolarHBondContact OD1-ND2 3.5Å; N253-N298 VanDerWaalsContact OD1-ND2 3.11Å; N253-V300 HydrophobicContact CB-CG2 4.36Å; N253-L452 PolarHBondContact N-O 2.91Å; N253-L452 VanDerWaalsContact N-O 3.13Å; N253-L452 VanDerWaalsContact O-CA 3.25Å; N253-L452 WeakPolarHBondContact O-CA 3.35Å; N253-L452 VanDerWaalsContact O-CB 3.27Å; N253-L452 WeakPolarHBondContact O-CB 3.33Å; N253-L452 VanDerWaalsContact O-CD2 3.23Å; N253-L452 WeakPolarHBondContact O-CD2 3.27Å; N253-D454 PolarHBondContact ND2-O 3.21Å
254	I	90.3	Very high	73.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.6	170.6	-56.1	168.4	0	0	0	108.2	I256 I297 N298 V300 D347 H348 M371 L400 L452	I254-I256 HydrophobicContact CG2-CD1 4.22Å; I254-I256 HydrophobicContact CG2-CG1 3.94Å; I254-I297 HydrophobicContact CD1-CG2 3.47Å; I254-I297 VanDerWaalsContact CD1-CG2 3.47Å; I254-I297 HydrophobicContact CG1-CG2 3.81Å; I254-N298 PolarHBondContact N-O 2.89Å; I254-V300 PolarHBondContact O-N 2.99Å; I254-D347 HydrophobicContact CG2-CB 4.16Å; I254-H348 HydrophobicContact CG2-CB 3.74Å; I254-M371 HydrophobicContact CD1-CE 4.07Å; I254-M371 HydrophobicContact CG2-CE 4.17Å; I254-M371 HydrophobicContact CG2-SD 4.05Å; I254-L400 HydrophobicContact CD1-CD1 4.43Å; I254-L400 HydrophobicContact CD1-CD2 4.43Å; I254-L452 HydrophobicContact CB-CD2 4.4Å; I254-L452 HydrophobicContact CG1-CD1 4.44Å; I254-L452 HydrophobicContact CG1-CD2 3.92Å
255	E	89.8	Confident	75.2	Confident	14 Å²	14	48.9 Å²	48.9	7%	0.065	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.8	171.1	-66.5	-159.5	130.6	0	0	111.7	V300 V302 H345 D347 H348 P456	E255-V300 CarbonylContact C-O 3.58Å; E255-V300 WeakPolarHBondContact CA-O 3.34Å; E255-V302 HydrophobicContact CB-CG1 3.83Å; E255-V302 HydrophobicContact CG-CG1 3.94Å; E255-H345 IonicContact OE2-CD2 3.37Å; E255-D347 PolarHBondContact N-OD2 2.59Å; E255-D347 PolarHBondContact O-N 2.94Å; E255-H348 PolarHBondContact O-N 3.2Å; E255-P456 HydrophobicContact CG-CG 4.46Å
256	I	92.6	Very high	77.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.5	-169.8	-59.3	-150.5	0	0	0	113.4	I254 M281 V299 V300 V302 H348 I350	I254-I256 HydrophobicContact CG2-CD1 4.22Å; I254-I256 HydrophobicContact CG2-CG1 3.94Å; I256-M281 HydrophobicContact CD1-CE 4.08Å; I256-M281 HydrophobicContact CG2-CE 4.41Å; I256-V299 HydrophobicContact CD1-CG1 3.66Å; I256-V299 HydrophobicContact CG1-CG1 4.34Å; I256-V300 PolarHBondContact N-O 2.92Å; I256-V302 VanDerWaalsContact O-CG2 3.22Å; I256-V302 WeakPolarHBondContact O-CG2 3.09Å; I256-V302 PolarHBondContact O-N 3.11Å; I256-H348 WeakPolarHBondContact CA-O 3.38Å; I256-H348 HydrophobicContact CG1-CB 4.44Å; I256-I350 HydrophobicContact CD1-CD1 3.56Å; I256-I350 HydrophobicContact CD1-CG1 4.4Å; I256-I350 HydrophobicContact CG2-CB 4.46Å; I256-I350 HydrophobicContact CG2-CD1 3.92Å; I256-I350 HydrophobicContact CG2-CG1 4.16Å
257	L	93.3	Very high	79.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.7	160	171.8	63.6	0	0	0	110.1	R303 I305 W331 Q335 H346 H348 A349 I350	L257-R303 HydrophobicContact CD1-CB 3.92Å; L257-R303 HydrophobicContact CD1-CG 4.03Å; L257-I305 HydrophobicContact CD1-CD1 3.83Å; L257-I305 HydrophobicContact CD1-CG1 4.02Å; L257-W331 HydrophobicContact CD2-CH2 4.44Å; L257-W331 HydrophobicContact CD2-CZ3 4.41Å; L257-Q335 HydrophobicContact CD2-CB 3.63Å; L257-Q335 HydrophobicContact CD2-CG 4.22Å; L257-H346 HydrophobicContact CB-CB 4.09Å; L257-H348 PolarHBondContact N-O 3.42Å; L257-A349 HydrophobicContact CB-CB 4.36Å; L257-A349 HydrophobicContact CD2-CB 4.48Å; L257-A349 CarbonylContact O-C 3.56Å; L257-A349 VanDerWaalsContact O-CA 3.32Å; L257-A349 WeakPolarHBondContact O-CA 3.25Å; L257-I350 PolarHBondContact O-N 2.57Å
258	L	94.6	Very high	81.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.6	176.6	-171.1	64.5	0	0	0	111.4	V260 L277 M281 L301 R303 M304 I305 I350 L352	L258-V260 HydrophobicContact CG-CG2 4.11Å; L258-L277 HydrophobicContact CD2-CB 3.99Å; L258-L277 HydrophobicContact CD2-CD2 4.15Å; L258-L277 HydrophobicContact CD2-CG 4.49Å; L258-M281 HydrophobicContact CD1-SD 4.03Å; L258-M281 HydrophobicContact CD2-CG 3.87Å; L258-M281 HydrophobicContact CD2-SD 4.41Å; L258-L301 HydrophobicContact CB-CD1 3.59Å; L258-L301 HydrophobicContact CD2-CD1 4.39Å; L258-R303 PolarHBondContact N-O 3.46Å; L258-M304 HydrophobicContact CD2-CE 4.14Å; L258-M304 CarbonylContact O-C 3.53Å; L258-M304 WeakPolarHBondContact O-CA 3.21Å; L258-I305 PolarHBondContact O-N 2.73Å; L258-I350 HydrophobicContact CD1-CB 3.85Å; L258-I350 HydrophobicContact CD1-CG2 3.7Å; L258-L352 HydrophobicContact CD1-CD1 4.04Å; L258-L352 HydrophobicContact CD1-CG 4.16Å
259	G	93.5	Very high	82.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.6	174.8	0	0	0	0	0	112.1	I350 F351 L352	G259-I350 PolarHBondContact N-O 3.35Å; G259-F351 WeakPolarHBondContact O-CA 3.38Å; G259-L352 PolarHBondContact O-N 3.33Å
260	V	94.4	Very high	83.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.7	-171.4	-173.2	0	0	0	0	111.6	L258 V264 V265 L277 I305 M306 L307	L258-V260 HydrophobicContact CG-CG2 4.11Å; V260-V264 HydrophobicContact CG1-CB 3.8Å; V260-V264 HydrophobicContact CG1-CG1 3.93Å; V260-V264 HydrophobicContact CG1-CG2 4.37Å; V260-V265 HydrophobicContact CG1-CG2 4.13Å; V260-L277 HydrophobicContact CB-CD1 4.45Å; V260-L277 HydrophobicContact CG1-CD1 4.26Å; V260-L277 HydrophobicContact CG1-CD2 4.09Å; V260-L277 HydrophobicContact CG2-CD1 3.7Å; V260-L277 HydrophobicContact CG2-CD2 3.61Å; V260-L277 HydrophobicContact CG2-CG 4.3Å; V260-I305 PolarHBondContact N-O 2.8Å; V260-M306 HydrophobicContact CB-SD 4.11Å; V260-M306 HydrophobicContact CG1-SD 4.28Å; V260-L307 PolarHBondContact O-N 3.48Å
261	D	90.9	Very high	84.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.			trans	-72.1	144.4	-179.1	-169.9	52.1	0	0	0	112.7	S263 V264 V265 S312 F351 L352 T353 Q355	D261-S263 PolarHBondContact O-N 2.76Å; D261-S263 VanDerWaalsContact OD2-CB 3.28Å; D261-S263 WeakPolarHBondContact OD2-CB 3.48Å; D261-S263 PolarHBondContact OD2-OG 3.33Å; D261-V264 WeakPolarHBondContact O-CB 3.37Å; D261-V264 PolarHBondContact O-N 2.98Å; D261-V265 PolarHBondContact O-N 3.24Å; D261-S312 WeakPolarHBondContact OD1-CA 3.35Å; D261-S312 WeakPolarHBondContact OD1-CB 3.26Å; D261-S312 PolarHBondContact OD1-OG 2.92Å; D261-F351 HydrophobicContact CB-CE1 4.04Å; D261-F351 HydrophobicContact CB-CZ 4.32Å; D261-L352 WeakPolarHBondContact CB-O 3.18Å; D261-L352 PolarHBondContact N-O 3.12Å; D261-L352 VanDerWaalsContact N-O 3.1Å; D261-T353 PolarHBondContact OD2-OG1 3.22Å; D261-Q355 PolarHBondContact OD1-NE2 3.35Å; D261-Q355 PolarHBondContact OD2-NE2 2.99Å
262	D	89.1	Confident	84.4	Confident	15 Å²	15	34.3 Å²	34.3	8%	0.08	16%	0.161	C	C	.	.	H	α-helix	trans	-55.8	-25.5	177.6	167.3	78	0	0	0	112.4	V265 R266 L307 Y309 S312	D262-V265 PolarHBondContact O-N 3.06Å; D262-R266 WeakPolarHBondContact O-CB 3.19Å; D262-R266 VanDerWaalsContact O-CG 3.26Å; D262-R266 WeakPolarHBondContact O-CG 3.45Å; D262-R266 PolarHBondContact O-N 2.68Å; D262-R266 IonicContact OD1-CZ 2.76Å; D262-R266 IonicContact OD1-NE 2.78Å; D262-R266 PolarHBondContact OD1-NE 2.95Å; D262-R266 IonicContact OD1-NH2 2.9Å; D262-R266 PolarHBondContact OD1-NH2 2.86Å; D262-R266 IonicContact OD2-CZ 3.63Å; D262-R266 IonicContact OD2-NE 3.7Å; D262-R266 PolarHBondContact OD2-NE 3.49Å; D262-R266 IonicContact OD2-NH1 3.61Å; D262-R266 IonicContact OD2-NH2 2.74Å; D262-R266 PolarHBondContact OD2-NH2 2.84Å; D262-L307 WeakPolarHBondContact CB-O 3.44Å; D262-L307 PolarHBondContact N-O 2.97Å; D262-Y309 WeakPolarHBondContact OD2-CD2 3.23Å; D262-S312 VanDerWaalsContact CB-OG 3.22Å; D262-S312 WeakPolarHBondContact CB-OG 3.48Å; D262-S312 PolarHBondContact N-OG 2.82Å
263	S	88.7	Confident	84.1	Confident	26 Å²	26	33.5 Å²	33.5	18%	0.182	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-38.5	173.4	69.5	0	0	0	0	113.4	D261 F267 R354	D261-S263 PolarHBondContact O-N 2.76Å; D261-S263 VanDerWaalsContact OD2-CB 3.28Å; D261-S263 WeakPolarHBondContact OD2-CB 3.48Å; D261-S263 PolarHBondContact OD2-OG 3.33Å; S263-F267 WeakPolarHBondContact O-CB 3.23Å; S263-F267 PolarHBondContact O-N 2.81Å; S263-F267 VanDerWaalsContact O-N 3.14Å; S263-R354 PolarHBondContact OG-N 2.82Å
264	V	87.4	Confident	83.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-71.3	-44.8	174.8	-176.4	0	0	0	0	109.5	V260 D261 R266 F267 H268 V273 R354 E383	V260-V264 HydrophobicContact CG1-CB 3.8Å; V260-V264 HydrophobicContact CG1-CG1 3.93Å; V260-V264 HydrophobicContact CG1-CG2 4.37Å; D261-V264 WeakPolarHBondContact O-CB 3.37Å; D261-V264 PolarHBondContact O-N 2.98Å; V264-R266 VanDerWaalsContact C-N 3.31Å; V264-R266 PolarHBondContact O-N 3.27Å; V264-F267 PolarHBondContact O-N 2.82Å; V264-H268 PolarHBondContact O-CD2 2.83Å; V264-H268 PolarHBondContact O-N 3.32Å; V264-V273 HydrophobicContact CG1-CG2 4.16Å; V264-R354 HydrophobicContact CG2-CG 3.95Å; V264-E383 HydrophobicContact CG1-CG 4.02Å; V264-E383 HydrophobicContact CG2-CB 3.94Å; V264-E383 HydrophobicContact CG2-CG 4.08Å
265	V	85.9	Confident	82.8	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.024	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-39.3	178.4	177	0	0	0	0	112	W107 V260 D261 D262 G269 K270 V273 M306	W107-V265 HydrophobicContact CH2-CG1 4.47Å; W107-V265 HydrophobicContact CZ3-CG1 3.89Å; V260-V265 HydrophobicContact CG1-CG2 4.13Å; D261-V265 PolarHBondContact O-N 3.24Å; D262-V265 PolarHBondContact O-N 3.06Å; V265-G269 CarbonylContact O-C 3.6Å; V265-G269 VanDerWaalsContact O-C 3.3Å; V265-G269 WeakPolarHBondContact O-CA 3.04Å; V265-G269 PolarHBondContact O-N 2.99Å; V265-K270 HydrophobicContact CG1-CD 4.46Å; V265-K270 HydrophobicContact CG1-CG 3.58Å; V265-V273 HydrophobicContact CG1-CG1 4.49Å; V265-V273 HydrophobicContact CG2-CG2 4.46Å; V265-M306 HydrophobicContact CG2-CB 4.48Å; V265-M306 HydrophobicContact CG2-SD 3.96Å
266	R	81.9	Confident	82.3	Confident	149 Å²	149	35.6 Å²	35.6	56%	0.562	17%	0.168	S	C	*	.	H	α-helix	trans	-73.4	-36.1	175.4	-73.9	179.3	-170.1	-174.7	10.3	113.4	D262 V264 Y309	D262-R266 WeakPolarHBondContact O-CB 3.19Å; D262-R266 VanDerWaalsContact O-CG 3.26Å; D262-R266 WeakPolarHBondContact O-CG 3.45Å; D262-R266 PolarHBondContact O-N 2.68Å; D262-R266 IonicContact OD1-CZ 2.76Å; D262-R266 IonicContact OD1-NE 2.78Å; D262-R266 PolarHBondContact OD1-NE 2.95Å; D262-R266 IonicContact OD1-NH2 2.9Å; D262-R266 PolarHBondContact OD1-NH2 2.86Å; D262-R266 IonicContact OD2-CZ 3.63Å; D262-R266 IonicContact OD2-NE 3.7Å; D262-R266 PolarHBondContact OD2-NE 3.49Å; D262-R266 IonicContact OD2-NH1 3.61Å; D262-R266 IonicContact OD2-NH2 2.74Å; D262-R266 PolarHBondContact OD2-NH2 2.84Å; V264-R266 VanDerWaalsContact C-N 3.31Å; V264-R266 PolarHBondContact O-N 3.27Å; R266-Y309 VanDerWaalsContact NH2-CB 3.28Å
267	F	78.6	Confident	81.9	Confident	128 Å²	128	35.5 Å²	35.5	56%	0.561	17%	0.167	S	C	*	.	H	α-helix	trans	-73.3	-41.3	-178.4	-175.4	-104.7	0	0	0	112.4	S263 V264	S263-F267 WeakPolarHBondContact O-CB 3.23Å; S263-F267 PolarHBondContact O-N 2.81Å; S263-F267 VanDerWaalsContact O-N 3.14Å; V264-F267 PolarHBondContact O-N 2.82Å
268	H	73.8	Confident	81.3	Confident	11 Å²	11	35.5 Å²	35.5	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-88	-19.4	176.1	-69.4	-91.9	0	0	0	113.9	V264 V273 Y276 E383	V264-H268 PolarHBondContact O-CD2 2.83Å; V264-H268 PolarHBondContact O-N 3.32Å; H268-V273 HydrophobicContact CB-CB 3.9Å; H268-V273 HydrophobicContact CB-CG2 4.18Å; H268-Y276 AromaticContact CD2-CD1 3.88Å; H268-Y276 AromaticContact CE1-CD1 3.48Å; H268-Y276 VanDerWaalsContact CE1-CD1 3.48Å; H268-Y276 WeakPolarHBondContact CE1-CD1 3.36Å; H268-Y276 AromaticContact CE1-CD2 3.33Å; H268-Y276 WeakPolarHBondContact CE1-CD2 3.19Å; H268-Y276 AromaticContact CE1-CE1 3.48Å; H268-Y276 VanDerWaalsContact CE1-CE1 3.48Å; H268-Y276 WeakPolarHBondContact CE1-CE1 2.96Å; H268-Y276 AromaticContact CE1-CE2 3.36Å; H268-Y276 WeakPolarHBondContact CE1-CE2 3.24Å; H268-Y276 AromaticContact CE1-CG 3.4Å; H268-Y276 VanDerWaalsContact CE1-CG 3.4Å; H268-Y276 AromaticContact CE1-CZ 3.44Å; H268-Y276 VanDerWaalsContact CE1-CZ 3.44Å; H268-Y276 AromaticContact CG-CD1 3.96Å; H268-Y276 AromaticContact ND1-CD1 3.69Å; H268-Y276 AromaticContact ND1-CD2 3.59Å; H268-Y276 AromaticContact ND1-CG 3.38Å; H268-Y276 AromaticContact NE2-CD1 3.6Å; H268-Y276 AromaticContact NE2-CE1 3.37Å; H268-Y276 WeakPolarHBondContact NE2-CE1 3.11Å; H268-Y276 AromaticContact NE2-CZ 3.63Å; H268-E383 IonicContact CD2-OE2 3.47Å; H268-E383 IonicContact NE2-OE1 3.49Å; H268-E383 IonicContact NE2-OE2 3.68Å; H268-E383 PolarHBondContact NE2-OE2 3.42Å
269	G	71.4	Confident	80.2	Confident	26 Å²	26	35.6 Å²	35.6	27%	0.268	17%	0.168	S	C	.	.			trans	83.6	141	-175.2	0	0	0	0	0	112.9	V265 E271 H272 V273	V265-G269 CarbonylContact O-C 3.6Å; V265-G269 VanDerWaalsContact O-C 3.3Å; V265-G269 WeakPolarHBondContact O-CA 3.04Å; V265-G269 PolarHBondContact O-N 2.99Å; G269-E271 PolarHBondContact O-N 3.33Å; G269-H272 PolarHBondContact O-N 3.04Å; G269-H272 VanDerWaalsContact O-N 3.08Å; G269-V273 WeakPolarHBondContact O-CB 3.03Å; G269-V273 WeakPolarHBondContact O-CG1 3.36Å; G269-V273 PolarHBondContact O-N 2.85Å
270	K	72.6	Confident	79.7	Confident	107 Å²	107	35.6 Å²	35.6	47%	0.465	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.4	-175.9	-73	-163.9	173.4	-167.7	0	113.6	W107 D109 V265	W107-K270 HydrophobicContact CE3-CD 4.41Å; W107-K270 HydrophobicContact CH2-CB 3.95Å; W107-K270 HydrophobicContact CH2-CG 4.11Å; W107-K270 WeakPolarHBondContact CH2-O 3.06Å; W107-K270 HydrophobicContact CZ3-CB 4.18Å; W107-K270 HydrophobicContact CZ3-CD 3.98Å; W107-K270 HydrophobicContact CZ3-CG 3.82Å; D109-K270 IonicContact OD2-NZ 3.96Å; D109-K270 PolarHBondContact OD2-NZ 2.69Å; V265-K270 HydrophobicContact CG1-CD 4.46Å; V265-K270 HydrophobicContact CG1-CG 3.58Å
271	E	66.4	Low	79.3	Confident	168 Å²	168	35.7 Å²	35.7	79%	0.785	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.6	-179	-62.3	-176.7	-176	0	0	114.4	G269	G269-E271 PolarHBondContact O-N 3.33Å
272	H	68	Low	78.8	Confident	42 Å²	42	35.7 Å²	35.7	19%	0.194	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-19.6	-175.4	-48.4	-83.2	0	0	0	113.7	D160 G181 G269 Q274 N275 Y276	D160-H272 IonicContact OD2-CE1 2.9Å; D160-H272 PolarHBondContact OD2-CE1 3.44Å; D160-H272 IonicContact OD2-CG 2.83Å; D160-H272 IonicContact OD2-ND1 3.25Å; D160-H272 PolarHBondContact OD2-ND1 2.79Å; G181-H272 PolarHBondContact N-CE1 2.84Å; G181-H272 VanDerWaalsContact N-CE1 3.31Å; G269-H272 PolarHBondContact O-N 3.04Å; G269-H272 VanDerWaalsContact O-N 3.08Å; H272-Q274 VanDerWaalsContact C-N 3.31Å; H272-Q274 PolarHBondContact O-N 2.91Å; H272-N275 PolarHBondContact O-N 2.96Å; H272-N275 VanDerWaalsContact O-N 3.09Å; H272-Y276 PolarHBondContact O-N 3.33Å
273	V	78.1	Confident	78.2	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-38	-175.8	63.9	0	0	0	0	113	W107 V264 V265 H268 G269 N275 Y276 L277 M306	W107-V273 HydrophobicContact CH2-CG1 3.87Å; V264-V273 HydrophobicContact CG1-CG2 4.16Å; V265-V273 HydrophobicContact CG1-CG1 4.49Å; V265-V273 HydrophobicContact CG2-CG2 4.46Å; H268-V273 HydrophobicContact CB-CB 3.9Å; H268-V273 HydrophobicContact CB-CG2 4.18Å; G269-V273 WeakPolarHBondContact O-CB 3.03Å; G269-V273 WeakPolarHBondContact O-CG1 3.36Å; G269-V273 PolarHBondContact O-N 2.85Å; V273-N275 VanDerWaalsContact C-N 3.3Å; V273-N275 PolarHBondContact O-N 3.29Å; V273-Y276 WeakPolarHBondContact O-CB 3.39Å; V273-Y276 PolarHBondContact O-N 3.19Å; V273-L277 HydrophobicContact CG2-CD1 3.94Å; V273-L277 HydrophobicContact CG2-CG 4.2Å; V273-L277 WeakPolarHBondContact O-CD1 3.47Å; V273-L277 WeakPolarHBondContact O-CG 3.04Å; V273-L277 PolarHBondContact O-N 2.97Å; V273-M306 HydrophobicContact CG1-CE 3.75Å; V273-M306 HydrophobicContact CG1-SD 4.11Å; V273-M306 HydrophobicContact CG2-SD 4.5Å
274	Q	77.8	Confident	78.1	Confident	25 Å²	25	33.8 Å²	33.8	12%	0.117	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-42.5	175.7	-179.3	178.7	-4.9	0	0	112.4	V105 H272 L278 M304 M306	V105-Q274 HydrophobicContact CG2-CG 4.39Å; H272-Q274 VanDerWaalsContact C-N 3.31Å; H272-Q274 PolarHBondContact O-N 2.91Å; Q274-L278 HydrophobicContact CG-CD1 4.26Å; Q274-L278 WeakPolarHBondContact O-CG 3.36Å; Q274-L278 PolarHBondContact O-N 3.12Å; Q274-L278 VanDerWaalsContact O-N 3.15Å; Q274-M304 HydrophobicContact CG-SD 4.2Å; Q274-M306 HydrophobicContact CB-CE 4.28Å
275	N	70.9	Confident	78	Confident	31 Å²	31	33.8 Å²	33.8	17%	0.166	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-44.1	179.9	-62.9	-24.5	0	0	0	110.6	N157 C159 H272 V273 L277 L278 T279	N157-N275 PolarHBondContact ND2-O 2.85Å; C159-N275 HydrophobicContact CB-CB 4.35Å; C159-N275 WeakPolarHBondContact CB-OD1 3.48Å; H272-N275 PolarHBondContact O-N 2.96Å; H272-N275 VanDerWaalsContact O-N 3.09Å; V273-N275 VanDerWaalsContact C-N 3.3Å; V273-N275 PolarHBondContact O-N 3.29Å; N275-L277 VanDerWaalsContact C-N 3.34Å; N275-L277 PolarHBondContact O-N 3.28Å; N275-L278 PolarHBondContact O-N 3.32Å; N275-T279 PolarHBondContact O-N 2.66Å; N275-T279 PolarHBondContact O-OG1 2.93Å
276	Y	79.4	Confident	77.8	Confident	13 Å²	13	33.9 Å²	33.9	5%	0.051	16%	0.156	C	C	.	.	H	α-helix	trans	-56	-46.6	177	175.7	-105.1	0	0	0	112.6	H268 H272 V273 T279 L280 E383 G385 F386	H268-Y276 AromaticContact CD2-CD1 3.88Å; H268-Y276 AromaticContact CE1-CD1 3.48Å; H268-Y276 VanDerWaalsContact CE1-CD1 3.48Å; H268-Y276 WeakPolarHBondContact CE1-CD1 3.36Å; H268-Y276 AromaticContact CE1-CD2 3.33Å; H268-Y276 WeakPolarHBondContact CE1-CD2 3.19Å; H268-Y276 AromaticContact CE1-CE1 3.48Å; H268-Y276 VanDerWaalsContact CE1-CE1 3.48Å; H268-Y276 WeakPolarHBondContact CE1-CE1 2.96Å; H268-Y276 AromaticContact CE1-CE2 3.36Å; H268-Y276 WeakPolarHBondContact CE1-CE2 3.24Å; H268-Y276 AromaticContact CE1-CG 3.4Å; H268-Y276 VanDerWaalsContact CE1-CG 3.4Å; H268-Y276 AromaticContact CE1-CZ 3.44Å; H268-Y276 VanDerWaalsContact CE1-CZ 3.44Å; H268-Y276 AromaticContact CG-CD1 3.96Å; H268-Y276 AromaticContact ND1-CD1 3.69Å; H268-Y276 AromaticContact ND1-CD2 3.59Å; H268-Y276 AromaticContact ND1-CG 3.38Å; H268-Y276 AromaticContact NE2-CD1 3.6Å; H268-Y276 AromaticContact NE2-CE1 3.37Å; H268-Y276 WeakPolarHBondContact NE2-CE1 3.11Å; H268-Y276 AromaticContact NE2-CZ 3.63Å; H272-Y276 PolarHBondContact O-N 3.33Å; V273-Y276 WeakPolarHBondContact O-CB 3.39Å; V273-Y276 PolarHBondContact O-N 3.19Å; Y276-T279 VanDerWaalsContact O-CB 3.29Å; Y276-T279 WeakPolarHBondContact O-CB 3.43Å; Y276-T279 PolarHBondContact O-N 3.33Å; Y276-L280 PolarHBondContact O-N 2.79Å; Y276-E383 HydrophobicContact CE1-CG 3.86Å; Y276-E383 PolarHBondContact OH-OE1 3.2Å; Y276-G385 WeakPolarHBondContact OH-CA 3.02Å; Y276-G385 PolarHBondContact OH-N 2.93Å; Y276-G385 PolarHBondContact OH-O 2.94Å; Y276-F386 HydrophobicContact CD2-CD1 4.21Å; Y276-F386 AromaticContact CD2-CE1 3.27Å; Y276-F386 HydrophobicContact CD2-CE1 3.27Å; Y276-F386 AromaticContact CD2-CZ 3.45Å; Y276-F386 HydrophobicContact CD2-CZ 3.45Å; Y276-F386 VanDerWaalsContact CD2-CZ 3.45Å; Y276-F386 AromaticContact CE2-CD1 3.62Å; Y276-F386 HydrophobicContact CE2-CD1 3.62Å; Y276-F386 AromaticContact CE2-CE1 3.13Å; Y276-F386 HydrophobicContact CE2-CE1 3.13Å; Y276-F386 HydrophobicContact CE2-CE2 4.36Å; Y276-F386 HydrophobicContact CE2-CG 4.37Å; Y276-F386 AromaticContact CE2-CZ 3.56Å; Y276-F386 HydrophobicContact CE2-CZ 3.56Å; Y276-F386 HydrophobicContact CG-CE1 4.31Å
277	L	84.1	Confident	77.9	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-42.1	178.8	-65	162.9	0	0	0	112.6	L258 V260 V273 N275 T279 L280 M281 M304 M306 L352	L258-L277 HydrophobicContact CD2-CB 3.99Å; L258-L277 HydrophobicContact CD2-CD2 4.15Å; L258-L277 HydrophobicContact CD2-CG 4.49Å; V260-L277 HydrophobicContact CB-CD1 4.45Å; V260-L277 HydrophobicContact CG1-CD1 4.26Å; V260-L277 HydrophobicContact CG1-CD2 4.09Å; V260-L277 HydrophobicContact CG2-CD1 3.7Å; V260-L277 HydrophobicContact CG2-CD2 3.61Å; V260-L277 HydrophobicContact CG2-CG 4.3Å; V273-L277 HydrophobicContact CG2-CD1 3.94Å; V273-L277 HydrophobicContact CG2-CG 4.2Å; V273-L277 WeakPolarHBondContact O-CD1 3.47Å; V273-L277 WeakPolarHBondContact O-CG 3.04Å; V273-L277 PolarHBondContact O-N 2.97Å; N275-L277 VanDerWaalsContact C-N 3.34Å; N275-L277 PolarHBondContact O-N 3.28Å; L277-T279 VanDerWaalsContact C-N 3.29Å; L277-T279 PolarHBondContact O-N 3.44Å; L277-L280 PolarHBondContact O-N 2.93Å; L277-L280 VanDerWaalsContact O-N 3.17Å; L277-M281 PolarHBondContact O-N 2.98Å; L277-M304 HydrophobicContact CB-CE 3.74Å; L277-M304 HydrophobicContact CD1-CE 3.98Å; L277-M304 HydrophobicContact CD1-CG 4.41Å; L277-M304 HydrophobicContact CD1-SD 3.75Å; L277-M306 HydrophobicContact CD1-CE 3.57Å; L277-M306 HydrophobicContact CD1-SD 4.02Å; L277-L352 HydrophobicContact CD2-CD1 3.46Å; L277-L352 VanDerWaalsContact CD2-CD1 3.46Å
278	L	79.4	Confident	78.4	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-38.2	174.5	-80	171.4	0	0	0	111.4	V99 L136 T141 Q274 N275 N282 L301 M304	V99-L278 HydrophobicContact CG2-CD2 3.93Å; L136-L278 HydrophobicContact CD2-CD2 4.29Å; T141-L278 HydrophobicContact CG2-CB 3.79Å; T141-L278 HydrophobicContact CG2-CD2 4.46Å; Q274-L278 HydrophobicContact CG-CD1 4.26Å; Q274-L278 WeakPolarHBondContact O-CG 3.36Å; Q274-L278 PolarHBondContact O-N 3.12Å; Q274-L278 VanDerWaalsContact O-N 3.15Å; N275-L278 PolarHBondContact O-N 3.32Å; L278-N282 VanDerWaalsContact O-CB 3.24Å; L278-N282 WeakPolarHBondContact O-CB 3.29Å; L278-N282 PolarHBondContact O-N 3.16Å; L278-N282 VanDerWaalsContact O-N 3.1Å; L278-L301 HydrophobicContact CD2-CD2 3.97Å; L278-M304 HydrophobicContact CG-CE 4.27Å
279	T	71.8	Confident	78.8	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-47.2	170.8	-45.7	0	0	0	0	111.8	N157 A163 G164 N275 Y276 L277 M281 N282 I283 F386	N157-T279 HydrophobicContact CB-CG2 4.22Å; N157-T279 WeakPolarHBondContact CB-OG1 3.24Å; A163-T279 HydrophobicContact CB-CG2 4.3Å; A163-T279 WeakPolarHBondContact O-CG2 3.27Å; G164-T279 VanDerWaalsContact CA-CG2 3.4Å; N275-T279 PolarHBondContact O-N 2.66Å; N275-T279 PolarHBondContact O-OG1 2.93Å; Y276-T279 VanDerWaalsContact O-CB 3.29Å; Y276-T279 WeakPolarHBondContact O-CB 3.43Å; Y276-T279 PolarHBondContact O-N 3.33Å; L277-T279 VanDerWaalsContact C-N 3.29Å; L277-T279 PolarHBondContact O-N 3.44Å; T279-M281 PolarHBondContact O-N 2.9Å; T279-N282 WeakPolarHBondContact O-CB 3.33Å; T279-N282 PolarHBondContact O-N 2.91Å; T279-I283 HydrophobicContact CG2-CD1 4.22Å; T279-I283 WeakPolarHBondContact O-CG1 3.31Å; T279-I283 PolarHBondContact O-N 3.39Å; T279-F386 VanDerWaalsContact CB-CE1 3.48Å; T279-F386 HydrophobicContact CG2-CD1 3.97Å; T279-F386 HydrophobicContact CG2-CE1 3.45Å; T279-F386 VanDerWaalsContact CG2-CE1 3.45Å; T279-F386 HydrophobicContact CG2-CE2 4.32Å; T279-F386 HydrophobicContact CG2-CZ 3.66Å
280	L	82.4	Confident	79.4	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61	-48.1	-175.9	-165.2	75.7	0	0	0	111	Y276 L277 N282 I283 V284 L352 F386 S388 A389	Y276-L280 PolarHBondContact O-N 2.79Å; L277-L280 PolarHBondContact O-N 2.93Å; L277-L280 VanDerWaalsContact O-N 3.17Å; L280-N282 VanDerWaalsContact C-N 3.3Å; L280-N282 PolarHBondContact O-N 3.38Å; L280-I283 WeakPolarHBondContact O-CB 3.5Å; L280-I283 PolarHBondContact O-N 2.74Å; L280-I283 VanDerWaalsContact O-N 3.15Å; L280-V284 WeakPolarHBondContact O-CG2 3.49Å; L280-V284 PolarHBondContact O-N 2.85Å; L280-V284 VanDerWaalsContact O-N 3.07Å; L280-L352 HydrophobicContact CD2-CD1 3.63Å; L280-L352 HydrophobicContact CD2-CD2 4.2Å; L280-F386 HydrophobicContact CD1-CD1 4.11Å; L280-S388 WeakPolarHBondContact CD1-OG 3.47Å; L280-A389 HydrophobicContact CD1-CB 3.9Å; L280-A389 HydrophobicContact CG-CB 4.35Å
281	M	85.8	Confident	79.7	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-33.1	176.8	-67	-49.6	-51.9	0	0	112.8	L98 I256 L258 L277 T279 I283 V284 N285 V299 I350	L98-M281 HydrophobicContact CD1-CB 4.25Å; I256-M281 HydrophobicContact CD1-CE 4.08Å; I256-M281 HydrophobicContact CG2-CE 4.41Å; L258-M281 HydrophobicContact CD1-SD 4.03Å; L258-M281 HydrophobicContact CD2-CG 3.87Å; L258-M281 HydrophobicContact CD2-SD 4.41Å; L277-M281 PolarHBondContact O-N 2.98Å; T279-M281 PolarHBondContact O-N 2.9Å; M281-I283 VanDerWaalsContact C-N 3.3Å; M281-I283 PolarHBondContact O-N 2.87Å; M281-V284 HydrophobicContact CE-CB 4.3Å; M281-V284 HydrophobicContact CE-CG1 4.33Å; M281-V284 PolarHBondContact O-N 2.98Å; M281-N285 PolarHBondContact O-N 3.27Å; M281-V299 HydrophobicContact CE-CG1 3.66Å; M281-I350 HydrophobicContact CE-CD1 3.6Å; M281-I350 HydrophobicContact SD-CD1 4.07Å
282	N	81.3	Confident	80.4	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-35.4	174.1	-166.4	52.5	0	0	0	112.2	N95 L98 F142 I143 I156 L278 T279 L280 E286	N95-N282 WeakPolarHBondContact CB-OD1 3.34Å; N95-N282 PolarHBondContact ND2-OD1 2.93Å; L98-N282 HydrophobicContact CD2-CB 3.58Å; F142-N282 PolarHBondContact O-ND2 2.98Å; I143-N282 WeakPolarHBondContact CG2-OD1 3.35Å; I156-N282 PolarHBondContact N-ND2 3.02Å; I156-N282 VanDerWaalsContact N-ND2 3.18Å; I156-N282 PolarHBondContact O-ND2 2.8Å; L278-N282 VanDerWaalsContact O-CB 3.24Å; L278-N282 WeakPolarHBondContact O-CB 3.29Å; L278-N282 PolarHBondContact O-N 3.16Å; L278-N282 VanDerWaalsContact O-N 3.1Å; T279-N282 WeakPolarHBondContact O-CB 3.33Å; T279-N282 PolarHBondContact O-N 2.91Å; L280-N282 VanDerWaalsContact C-N 3.3Å; L280-N282 PolarHBondContact O-N 3.38Å; N282-E286 PolarHBondContact O-N 3.06Å
283	I	76.8	Confident	81.2	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-43.6	173.3	-61	162.1	0	0	0	110.5	A155 M165 T279 L280 M281 N285 E286 I287 F386 A389	A155-I283 HydrophobicContact CB-CB 4.23Å; A155-I283 HydrophobicContact CB-CG1 3.75Å; M165-I283 HydrophobicContact CB-CD1 3.94Å; M165-I283 HydrophobicContact CB-CG1 3.89Å; M165-I283 HydrophobicContact CB-CG2 4.15Å; M165-I283 HydrophobicContact CE-CG2 3.76Å; M165-I283 HydrophobicContact SD-CG2 3.73Å; T279-I283 HydrophobicContact CG2-CD1 4.22Å; T279-I283 WeakPolarHBondContact O-CG1 3.31Å; T279-I283 PolarHBondContact O-N 3.39Å; L280-I283 WeakPolarHBondContact O-CB 3.5Å; L280-I283 PolarHBondContact O-N 2.74Å; L280-I283 VanDerWaalsContact O-N 3.15Å; M281-I283 VanDerWaalsContact C-N 3.3Å; M281-I283 PolarHBondContact O-N 2.87Å; I283-N285 VanDerWaalsContact C-N 3.3Å; I283-N285 PolarHBondContact O-N 2.62Å; I283-E286 PolarHBondContact O-N 2.58Å; I283-I287 HydrophobicContact CG2-CD1 4.13Å; I283-I287 WeakPolarHBondContact O-CG1 3.35Å; I283-I287 PolarHBondContact O-N 2.67Å; I283-I287 VanDerWaalsContact O-N 3.12Å; I283-F386 HydrophobicContact CD1-CB 3.78Å; I283-F386 HydrophobicContact CD1-CD1 3.86Å; I283-F386 HydrophobicContact CD1-CG 3.94Å; I283-A389 HydrophobicContact CB-CB 3.71Å; I283-A389 HydrophobicContact CG2-CB 3.43Å; I283-A389 VanDerWaalsContact CG2-CB 3.43Å
284	V	86.3	Confident	81.1	Confident	1 Å²	1	20 Å²	20	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-42.6	175.5	176.9	0	0	0	0	111.1	L280 M281 E286 I287 Y288 A389 V392	L280-V284 WeakPolarHBondContact O-CG2 3.49Å; L280-V284 PolarHBondContact O-N 2.85Å; L280-V284 VanDerWaalsContact O-N 3.07Å; M281-V284 HydrophobicContact CE-CB 4.3Å; M281-V284 HydrophobicContact CE-CG1 4.33Å; M281-V284 PolarHBondContact O-N 2.98Å; V284-E286 PolarHBondContact O-N 3.2Å; V284-I287 PolarHBondContact O-N 2.99Å; V284-Y288 HydrophobicContact CG1-CD2 4.18Å; V284-Y288 HydrophobicContact CG1-CE2 4.31Å; V284-Y288 WeakPolarHBondContact O-CD2 3.2Å; V284-Y288 PolarHBondContact O-N 2.68Å; V284-A389 HydrophobicContact CG2-CB 3.94Å; V284-V392 HydrophobicContact CG1-CG1 4.17Å; V284-V392 HydrophobicContact CG2-CB 3.82Å; V284-V392 HydrophobicContact CG2-CG1 3.65Å
285	N	85.5	Confident	81.2	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-57.2	-47.1	176.1	-177	80.3	0	0	0	112.5	N95 L98 M281 I283 I287 Y288 H289 V299	N95-N285 PolarHBondContact ND2-ND2 2.71Å; L98-N285 HydrophobicContact CD1-CB 4.03Å; M281-N285 PolarHBondContact O-N 3.27Å; I283-N285 VanDerWaalsContact C-N 3.3Å; I283-N285 PolarHBondContact O-N 2.62Å; N285-I287 VanDerWaalsContact C-N 3.33Å; N285-I287 PolarHBondContact O-N 2.94Å; N285-Y288 CarbonylContact O-C 3.57Å; N285-Y288 PolarHBondContact O-N 3.49Å; N285-Y288 VanDerWaalsContact O-N 3.16Å; N285-H289 PolarHBondContact ND2-CE1 2.88Å; N285-H289 VanDerWaalsContact ND2-CE1 3.25Å; N285-H289 PolarHBondContact ND2-ND1 3.09Å; N285-H289 PolarHBondContact O-N 2.61Å; N285-H289 VanDerWaalsContact O-N 3.17Å; N285-H289 PolarHBondContact O-ND1 2.64Å; N285-H289 PolarHBondContact OD1-CE1 3.02Å; N285-V299 HydrophobicContact CB-CB 4.08Å; N285-V299 PolarHBondContact OD1-N 2.91Å
286	E	81.6	Confident	81.6	Confident	6 Å²	6	22.7 Å²	22.7	3%	0.028	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-30.5	179.7	-67.7	-55.1	89.7	0	0	113.1	I143 A155 N282 I283 V284 Y288 H289 D290	I143-E286 VanDerWaalsContact CB-CD 3.43Å; I143-E286 HydrophobicContact CB-CG 3.96Å; I143-E286 WeakPolarHBondContact CB-OE2 3.27Å; I143-E286 VanDerWaalsContact CD1-OE1 3.32Å; I143-E286 WeakPolarHBondContact CD1-OE1 3.48Å; I143-E286 HydrophobicContact CG2-CG 3.48Å; I143-E286 VanDerWaalsContact CG2-CG 3.48Å; I143-E286 WeakPolarHBondContact CG2-OE1 3.48Å; A155-E286 HydrophobicContact CB-CB 4.38Å; A155-E286 HydrophobicContact CB-CG 3.85Å; N282-E286 PolarHBondContact O-N 3.06Å; I283-E286 PolarHBondContact O-N 2.58Å; V284-E286 PolarHBondContact O-N 3.2Å; E286-Y288 PolarHBondContact O-N 3.1Å; E286-H289 PolarHBondContact O-N 1.94Å; E286-H289 VanDerWaalsContact O-N 3.08Å; E286-D290 PolarHBondContact O-N 2.7Å
287	I	85.1	Confident	81.9	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-37.5	172.9	-62.4	163.1	0	0	0	110.2	I283 V284 N285 H289 A389 F390 A393 V420 Y432 W434	I283-I287 HydrophobicContact CG2-CD1 4.13Å; I283-I287 WeakPolarHBondContact O-CG1 3.35Å; I283-I287 PolarHBondContact O-N 2.67Å; I283-I287 VanDerWaalsContact O-N 3.12Å; V284-I287 PolarHBondContact O-N 2.99Å; N285-I287 VanDerWaalsContact C-N 3.33Å; N285-I287 PolarHBondContact O-N 2.94Å; I287-H289 VanDerWaalsContact C-N 3.31Å; I287-H289 PolarHBondContact O-N 2.74Å; I287-A389 HydrophobicContact CD1-CB 4.44Å; I287-F390 HydrophobicContact CD1-CD1 3.6Å; I287-F390 HydrophobicContact CD1-CE1 3.67Å; I287-F390 HydrophobicContact CD1-CG 4.22Å; I287-F390 HydrophobicContact CD1-CZ 4.38Å; I287-F390 HydrophobicContact CG1-CD1 4.32Å; I287-F390 HydrophobicContact CG1-CE1 3.99Å; I287-A393 HydrophobicContact CB-CB 4.13Å; I287-A393 HydrophobicContact CD1-CB 3.94Å; I287-A393 HydrophobicContact CG2-CB 3.69Å; I287-V420 HydrophobicContact CG2-CG2 4.1Å; I287-Y432 HydrophobicContact CB-CE2 4.21Å; I287-Y432 HydrophobicContact CG1-CE2 3.84Å; I287-Y432 HydrophobicContact CG2-CD2 4.43Å; I287-Y432 HydrophobicContact CG2-CE2 4.07Å; I287-W434 HydrophobicContact CG2-CZ2 3.86Å; I287-W434 PolarHBondContact O-NE1 2.83Å
288	Y	87.5	Confident	81.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.7	174.3	-83.9	-77.9	0	0	0	115.2	V284 N285 E286 L293 I297 V299 A393 T396 G397 L400 M402 W434	V284-Y288 HydrophobicContact CG1-CD2 4.18Å; V284-Y288 HydrophobicContact CG1-CE2 4.31Å; V284-Y288 WeakPolarHBondContact O-CD2 3.2Å; V284-Y288 PolarHBondContact O-N 2.68Å; N285-Y288 CarbonylContact O-C 3.57Å; N285-Y288 PolarHBondContact O-N 3.49Å; N285-Y288 VanDerWaalsContact O-N 3.16Å; E286-Y288 PolarHBondContact O-N 3.1Å; Y288-L293 HydrophobicContact CD1-CD2 3.77Å; Y288-L293 HydrophobicContact CE1-CD2 4.32Å; Y288-I297 HydrophobicContact CD1-CB 4.23Å; Y288-I297 HydrophobicContact CD1-CD1 4.26Å; Y288-I297 HydrophobicContact CD1-CG2 4.28Å; Y288-V299 HydrophobicContact CD2-CG2 4.11Å; Y288-V299 HydrophobicContact CG-CG2 4.37Å; Y288-A393 HydrophobicContact CE2-CB 4.09Å; Y288-A393 PolarHBondContact OH-O 2.82Å; Y288-T396 HydrophobicContact CE2-CG2 4.28Å; Y288-T396 WeakPolarHBondContact OH-CB 3.36Å; Y288-G397 WeakPolarHBondContact OH-CA 3.37Å; Y288-G397 PolarHBondContact OH-N 2.94Å; Y288-L400 HydrophobicContact CE1-CD1 3.56Å; Y288-M402 HydrophobicContact CE1-CE 4.44Å; Y288-W434 HydrophobicContact CD1-CZ2 4.03Å; Y288-W434 HydrophobicContact CD2-CZ2 4.48Å; Y288-W434 AromaticContact CE1-CH2 3.83Å; Y288-W434 HydrophobicContact CE1-CH2 3.83Å; Y288-W434 AromaticContact CE1-CZ2 3.75Å; Y288-W434 HydrophobicContact CE1-CZ2 3.75Å; Y288-W434 HydrophobicContact CE2-CH2 4.34Å; Y288-W434 HydrophobicContact CE2-CZ2 4.23Å; Y288-W434 HydrophobicContact CG-CZ2 4.37Å; Y288-W434 AromaticContact CZ-CH2 3.68Å; Y288-W434 AromaticContact CZ-CZ2 3.84Å
289	H	82.9	Confident	82.3	Confident	45 Å²	45	22.8 Å²	22.8	21%	0.208	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-5	173.8	-79	64.7	0	0	0	113.8	N285 E286 I287 E291 I297	N285-H289 PolarHBondContact ND2-CE1 2.88Å; N285-H289 VanDerWaalsContact ND2-CE1 3.25Å; N285-H289 PolarHBondContact ND2-ND1 3.09Å; N285-H289 PolarHBondContact O-N 2.61Å; N285-H289 VanDerWaalsContact O-N 3.17Å; N285-H289 PolarHBondContact O-ND1 2.64Å; N285-H289 PolarHBondContact OD1-CE1 3.02Å; E286-H289 PolarHBondContact O-N 1.94Å; E286-H289 VanDerWaalsContact O-N 3.08Å; I287-H289 VanDerWaalsContact C-N 3.31Å; I287-H289 PolarHBondContact O-N 2.74Å; H289-E291 PolarHBondContact O-N 3.16Å; H289-I297 PolarHBondContact CE1-O 3.16Å; H289-I297 PolarHBondContact ND1-O 2.91Å
290	D	83.4	Confident	83	Confident	14 Å²	14	22.7 Å²	22.7	8%	0.075	13%	0.129	C	C	.	.			trans	-62	127.8	178.6	-169.8	-61	0	0	0	111.6	M153 R167 E286 S292 L293	M153-D290 HydrophobicContact CE-CB 3.97Å; M153-D290 WeakPolarHBondContact CE-OD2 3.26Å; R167-D290 IonicContact CZ-OD2 3.62Å; R167-D290 IonicContact NH1-OD2 3.76Å; R167-D290 PolarHBondContact NH1-OD2 2.77Å; R167-D290 IonicContact NH2-OD2 2.78Å; R167-D290 PolarHBondContact NH2-OD2 3.38Å; E286-D290 PolarHBondContact O-N 2.7Å; D290-S292 PolarHBondContact O-N 3.25Å; D290-S292 VanDerWaalsContact OD1-CB 3.28Å; D290-S292 WeakPolarHBondContact OD1-CB 3.38Å; D290-S292 PolarHBondContact OD1-N 2.41Å; D290-S292 PolarHBondContact OD1-OG 2.76Å; D290-L293 WeakPolarHBondContact O-CB 3.37Å; D290-L293 PolarHBondContact O-N 3Å
291	E	78.8	Confident	83.2	Confident	177 Å²	177	22.8 Å²	22.8	83%	0.827	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-56.1	-25.3	-175.9	-61.8	-173.4	166	0	0	113.8	H289 L293 G294	H289-E291 PolarHBondContact O-N 3.16Å; E291-L293 PolarHBondContact O-N 2.91Å; E291-G294 PolarHBondContact O-N 3.33Å; E291-G294 VanDerWaalsContact O-N 3.16Å
292	S	82.2	Confident	83.2	Confident	40 Å²	40	22.7 Å²	22.7	28%	0.28	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-62.2	-22.6	177.6	57.2	0	0	0	0	114.2	D290 G294 W434	D290-S292 PolarHBondContact O-N 3.25Å; D290-S292 VanDerWaalsContact OD1-CB 3.28Å; D290-S292 WeakPolarHBondContact OD1-CB 3.38Å; D290-S292 PolarHBondContact OD1-N 2.41Å; D290-S292 PolarHBondContact OD1-OG 2.76Å; S292-G294 VanDerWaalsContact C-N 3.27Å; S292-G294 PolarHBondContact O-N 3.2Å; S292-W434 PolarHBondContact OG-N 3.2Å
293	L	84.6	Confident	83.5	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-69.6	-24.6	176.8	-166.1	54.3	0	0	0	112.9	Y288 D290 E291 V295 I297 M402 W434 L442	Y288-L293 HydrophobicContact CD1-CD2 3.77Å; Y288-L293 HydrophobicContact CE1-CD2 4.32Å; D290-L293 WeakPolarHBondContact O-CB 3.37Å; D290-L293 PolarHBondContact O-N 3Å; E291-L293 PolarHBondContact O-N 2.91Å; L293-V295 PolarHBondContact O-N 2.93Å; L293-I297 HydrophobicContact CD2-CD1 4.39Å; L293-M402 HydrophobicContact CD1-CE 3.99Å; L293-W434 HydrophobicContact CB-CB 4.39Å; L293-W434 HydrophobicContact CB-CG 4.02Å; L293-W434 HydrophobicContact CD1-CB 4.02Å; L293-W434 HydrophobicContact CD1-CD2 3.69Å; L293-W434 HydrophobicContact CD1-CE3 4.1Å; L293-W434 HydrophobicContact CD1-CG 3.66Å; L293-W434 HydrophobicContact CG-CG 4.35Å; L293-L442 HydrophobicContact CD1-CD2 3.58Å; L293-L442 HydrophobicContact CD2-CD2 3.99Å; L293-L442 HydrophobicContact CG-CD2 3.63Å
294	G	75.8	Confident	84.1	Confident	61 Å²	61	23.3 Å²	23.3	63%	0.629	13%	0.131	S	C	*	.	S	Bend	trans	68.3	8.8	179.6	0	0	0	0	0	115.8	E291 S292	E291-G294 PolarHBondContact O-N 3.33Å; E291-G294 VanDerWaalsContact O-N 3.16Å; S292-G294 VanDerWaalsContact C-N 3.27Å; S292-G294 PolarHBondContact O-N 3.2Å
295	V	79.7	Confident	84.3	Confident	15 Å²	15	23.3 Å²	23.3	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	-145.3	139.1	175.9	-177.2	0	0	0	0	108.2	Y252 L293 I297 L442 I446	Y252-V295 HydrophobicContact CD2-CG1 3.48Å; Y252-V295 VanDerWaalsContact CD2-CG1 3.48Å; Y252-V295 HydrophobicContact CE2-CG1 3.58Å; L293-V295 PolarHBondContact O-N 2.93Å; V295-I297 HydrophobicContact CG1-CG1 4.21Å; V295-L442 HydrophobicContact CB-CD2 4.09Å; V295-L442 HydrophobicContact CG2-CD2 4.14Å; V295-I446 HydrophobicContact CG1-CG1 4.41Å
296	H	79.5	Confident	84.4	Confident	98 Å²	98	23.3 Å²	23.3	45%	0.454	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.2	175.6	-62.7	-52.5	0	0	0	110.8	Y252	Y252-H296 PolarHBondContact N-O 3.11Å
297	I	86.4	Confident	84.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.2	179.7	-61.7	-175.4	0	0	0	109.1	I254 Y288 H289 L293 V295 L400 L442 I446	I254-I297 HydrophobicContact CD1-CG2 3.47Å; I254-I297 VanDerWaalsContact CD1-CG2 3.47Å; I254-I297 HydrophobicContact CG1-CG2 3.81Å; Y288-I297 HydrophobicContact CD1-CB 4.23Å; Y288-I297 HydrophobicContact CD1-CD1 4.26Å; Y288-I297 HydrophobicContact CD1-CG2 4.28Å; H289-I297 PolarHBondContact CE1-O 3.16Å; H289-I297 PolarHBondContact ND1-O 2.91Å; L293-I297 HydrophobicContact CD2-CD1 4.39Å; V295-I297 HydrophobicContact CG1-CG1 4.21Å; I297-L400 HydrophobicContact CD1-CD1 4.25Å; I297-L442 HydrophobicContact CD1-CD1 4.23Å; I297-L442 HydrophobicContact CD1-CD2 4Å; I297-I446 HydrophobicContact CD1-CD1 4.12Å
298	N	82.6	Confident	84.6	Confident	13 Å²	13	23.6 Å²	23.6	7%	0.07	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.2	172.2	-56.3	-95.5	0	0	0	110	R97 Y252 N253 I254 V300	R97-N298 WeakPolarHBondContact CD-OD1 3.47Å; Y252-N298 PolarHBondContact O-N 2.03Å; Y252-N298 PolarHBondContact O-ND2 2.78Å; N253-N298 CarbonylContact C-O 3.59Å; N253-N298 WeakPolarHBondContact CA-O 3.13Å; N253-N298 WeakPolarHBondContact OD1-CB 3.19Å; N253-N298 PolarHBondContact OD1-ND2 3.5Å; N253-N298 VanDerWaalsContact OD1-ND2 3.11Å; I254-N298 PolarHBondContact N-O 2.89Å; N298-V300 HydrophobicContact CB-CG2 4.24Å
299	V	88.1	Confident	84.3	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.4	175.7	170.5	0	0	0	0	108.9	I256 M281 N285 Y288	I256-V299 HydrophobicContact CD1-CG1 3.66Å; I256-V299 HydrophobicContact CG1-CG1 4.34Å; M281-V299 HydrophobicContact CE-CG1 3.66Å; N285-V299 HydrophobicContact CB-CB 4.08Å; N285-V299 PolarHBondContact OD1-N 2.91Å; Y288-V299 HydrophobicContact CD2-CG2 4.11Å; Y288-V299 HydrophobicContact CG-CG2 4.37Å
300	V	87.3	Confident	84.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107	-166.6	-171.8	0	0	0	0	111.3	A100 N253 I254 E255 I256 N298 V302 P456 F457	A100-V300 HydrophobicContact CB-CG1 4.03Å; N253-V300 HydrophobicContact CB-CG2 4.36Å; I254-V300 PolarHBondContact O-N 2.99Å; E255-V300 CarbonylContact C-O 3.58Å; E255-V300 WeakPolarHBondContact CA-O 3.34Å; I256-V300 PolarHBondContact N-O 2.92Å; N298-V300 HydrophobicContact CB-CG2 4.24Å; V300-V302 PolarHBondContact O-N 3.31Å; V300-P456 HydrophobicContact CB-CG 4.48Å; V300-P456 HydrophobicContact CG1-CG 4.01Å; V300-P456 HydrophobicContact CG2-CG 4.26Å; V300-F457 HydrophobicContact CG1-CE2 3.85Å; V300-F457 HydrophobicContact CG1-CZ 3.72Å; V300-F457 HydrophobicContact CG2-CE2 3.94Å; V300-F457 HydrophobicContact CG2-CZ 4.46Å
301	L	86.4	Confident	84	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	116.1	176.7	-177.3	72.9	0	0	0	111.5	L98 V99 A100 L136 L258 L278 M304	L98-L301 WeakPolarHBondContact O-CB 3.47Å; L98-L301 PolarHBondContact O-N 3.48Å; V99-L301 WeakPolarHBondContact CA-O 3.36Å; V99-L301 HydrophobicContact CG2-CB 4.32Å; V99-L301 HydrophobicContact CG2-CD2 4.41Å; A100-L301 PolarHBondContact N-O 2.68Å; L136-L301 HydrophobicContact CD1-CD2 3.67Å; L136-L301 HydrophobicContact CD1-CG 4.05Å; L136-L301 HydrophobicContact CD2-CD2 4.03Å; L258-L301 HydrophobicContact CB-CD1 3.59Å; L258-L301 HydrophobicContact CD2-CD1 4.39Å; L278-L301 HydrophobicContact CD2-CD2 3.97Å; L301-M304 HydrophobicContact CD2-CE 4.03Å
302	V	85.9	Confident	84.3	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-28.6	176.4	-66.3	0	0	0	0	113.6	A100 A103 M104 E255 I256 V300 H345 H346	A100-V302 HydrophobicContact CB-CG1 3.87Å; A103-V302 WeakPolarHBondContact CA-O 3.47Å; A103-V302 WeakPolarHBondContact CB-O 3.1Å; M104-V302 PolarHBondContact N-O 3.38Å; E255-V302 HydrophobicContact CB-CG1 3.83Å; E255-V302 HydrophobicContact CG-CG1 3.94Å; I256-V302 VanDerWaalsContact O-CG2 3.22Å; I256-V302 WeakPolarHBondContact O-CG2 3.09Å; I256-V302 PolarHBondContact O-N 3.11Å; V300-V302 PolarHBondContact O-N 3.31Å; V302-H345 WeakPolarHBondContact CG2-O 3.11Å; V302-H346 HydrophobicContact CG2-CB 3.8Å
303	R	86.3	Confident	84.2	Confident	13 Å²	13	25.4 Å²	25.4	5%	0.049	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	141.4	-172.8	-169.1	163.6	168.3	-125.5	-8.2	111	M104 E106 L257 L258 I305 Q335	M104-R303 WeakPolarHBondContact O-CA 2.98Å; E106-R303 IonicContact OE1-CZ 3.84Å; E106-R303 IonicContact OE1-NE 3.47Å; E106-R303 PolarHBondContact OE1-NE 2.01Å; E106-R303 IonicContact OE1-NH2 2.84Å; E106-R303 PolarHBondContact OE1-NH2 2.83Å; E106-R303 IonicContact OE2-CZ 3.01Å; E106-R303 IonicContact OE2-NE 2.72Å; E106-R303 IonicContact OE2-NH2 3.91Å; E106-R303 PolarHBondContact OE2-NH2 2.94Å; L257-R303 HydrophobicContact CD1-CB 3.92Å; L257-R303 HydrophobicContact CD1-CG 4.03Å; L258-R303 PolarHBondContact N-O 3.46Å; R303-I305 HydrophobicContact CG-CG1 4.39Å; R303-Q335 PolarHBondContact NH1-O 2.95Å; R303-Q335 VanDerWaalsContact NH1-OE1 3.14Å
304	M	89.4	Confident	84.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.1	179.7	-178.5	-170.8	-76.2	0	0	109.1	M104 V105 E106 L136 L258 Q274 L277 L278 L301 M306	M104-M304 PolarHBondContact O-N 3.45Å; V105-M304 CarbonylContact C-O 3.3Å; V105-M304 WeakPolarHBondContact CA-O 3.37Å; V105-M304 HydrophobicContact CG1-CG 4.49Å; V105-M304 HydrophobicContact CG1-SD 4.22Å; V105-M304 HydrophobicContact CG2-CB 4.41Å; V105-M304 HydrophobicContact CG2-SD 4.1Å; E106-M304 PolarHBondContact N-O 3.41Å; L136-M304 HydrophobicContact CD1-CB 4.28Å; L136-M304 HydrophobicContact CD2-CB 4.32Å; L136-M304 HydrophobicContact CD2-CE 3.79Å; L136-M304 HydrophobicContact CD2-SD 4.15Å; L258-M304 HydrophobicContact CD2-CE 4.14Å; L258-M304 CarbonylContact O-C 3.53Å; L258-M304 WeakPolarHBondContact O-CA 3.21Å; Q274-M304 HydrophobicContact CG-SD 4.2Å; L277-M304 HydrophobicContact CB-CE 3.74Å; L277-M304 HydrophobicContact CD1-CE 3.98Å; L277-M304 HydrophobicContact CD1-CG 4.41Å; L277-M304 HydrophobicContact CD1-SD 3.75Å; L278-M304 HydrophobicContact CG-CE 4.27Å; L301-M304 HydrophobicContact CD2-CE 4.03Å; M304-M306 HydrophobicContact CG-CE 4.38Å; M304-M306 HydrophobicContact SD-CE 3.63Å
305	I	90.8	Very high	84.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.2	-178.5	-55.4	178.9	0	0	0	110.1	L257 L258 V260 R303 L307 W331 Q335	L257-I305 HydrophobicContact CD1-CD1 3.83Å; L257-I305 HydrophobicContact CD1-CG1 4.02Å; L258-I305 PolarHBondContact O-N 2.73Å; V260-I305 PolarHBondContact N-O 2.8Å; R303-I305 HydrophobicContact CG-CG1 4.39Å; I305-L307 HydrophobicContact CG2-CD2 3.79Å; I305-W331 HydrophobicContact CB-CH2 4.26Å; I305-W331 HydrophobicContact CB-CZ2 4.07Å; I305-W331 HydrophobicContact CD1-CH2 4.21Å; I305-W331 HydrophobicContact CD1-CZ2 3.9Å; I305-W331 HydrophobicContact CG2-CZ2 4.03Å; I305-Q335 HydrophobicContact CD1-CG 3.89Å
306	M	87.3	Confident	85.2	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.5	173.8	-55.7	-72.4	-170.1	0	0	109	V105 E106 W107 H108 V260 V265 V273 Q274 L277 M304	V105-M306 HydrophobicContact CG1-CE 4.37Å; V105-M306 HydrophobicContact CG1-CG 4.34Å; E106-M306 PolarHBondContact O-N 2.81Å; W107-M306 HydrophobicContact CD2-CB 3.9Å; W107-M306 HydrophobicContact CD2-CG 3.88Å; W107-M306 HydrophobicContact CE3-CB 3.39Å; W107-M306 HydrophobicContact CE3-CG 3.69Å; W107-M306 HydrophobicContact CH2-CB 4.33Å; W107-M306 HydrophobicContact CH2-CE 4.1Å; W107-M306 HydrophobicContact CH2-CG 3.8Å; W107-M306 HydrophobicContact CH2-SD 4.19Å; W107-M306 HydrophobicContact CZ2-CE 4.15Å; W107-M306 HydrophobicContact CZ2-CG 3.99Å; W107-M306 HydrophobicContact CZ3-CB 3.64Å; W107-M306 HydrophobicContact CZ3-CG 3.64Å; W107-M306 HydrophobicContact CZ3-SD 4.29Å; H108-M306 PolarHBondContact N-O 2.85Å; V260-M306 HydrophobicContact CB-SD 4.11Å; V260-M306 HydrophobicContact CG1-SD 4.28Å; V265-M306 HydrophobicContact CG2-CB 4.48Å; V265-M306 HydrophobicContact CG2-SD 3.96Å; V273-M306 HydrophobicContact CG1-CE 3.75Å; V273-M306 HydrophobicContact CG1-SD 4.11Å; V273-M306 HydrophobicContact CG2-SD 4.5Å; Q274-M306 HydrophobicContact CB-CE 4.28Å; L277-M306 HydrophobicContact CD1-CE 3.57Å; L277-M306 HydrophobicContact CD1-SD 4.02Å; M304-M306 HydrophobicContact CG-CE 4.38Å; M304-M306 HydrophobicContact SD-CE 3.63Å
307	L	88.3	Confident	85.5	Confident	5 Å²	5	24.4 Å²	24.4	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	139.8	-178.5	-62	-178.1	0	0	0	112.4	H108 V260 D262 I305 K311 L315 W331 F351	H108-L307 HydrophobicContact CB-CD2 4.26Å; V260-L307 PolarHBondContact O-N 3.48Å; D262-L307 WeakPolarHBondContact CB-O 3.44Å; D262-L307 PolarHBondContact N-O 2.97Å; I305-L307 HydrophobicContact CG2-CD2 3.79Å; L307-K311 HydrophobicContact CD1-CG 4.31Å; L307-K311 HydrophobicContact CD2-CG 4.27Å; L307-L315 HydrophobicContact CD1-CD1 3.51Å; L307-W331 HydrophobicContact CD1-CZ2 4.29Å; L307-W331 HydrophobicContact CD2-CZ2 4.13Å; L307-W331 HydrophobicContact CG-CZ2 4.49Å; L307-F351 HydrophobicContact CD1-CE2 3.73Å; L307-F351 HydrophobicContact CD1-CZ 3.97Å
308	G	82.9	Confident	85.2	Confident	6 Å²	6	33.1 Å²	33.1	6%	0.062	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-74.1	164.9	169.5	0	0	0	0	0	113.4	H108 A310 K311 S312	H108-G308 WeakPolarHBondContact O-CA 3.22Å; H108-G308 PolarHBondContact O-N 3.16Å; G308-A310 PolarHBondContact O-N 2.98Å; G308-K311 PolarHBondContact O-N 3.24Å; G308-S312 VanDerWaalsContact O-CB 3.31Å; G308-S312 WeakPolarHBondContact O-CB 3.49Å; G308-S312 PolarHBondContact O-N 3.43Å; G308-S312 PolarHBondContact O-OG 3.22Å
309	Y	81.3	Confident	84.9	Confident	127 Å²	127	35.3 Å²	35.3	50%	0.498	19%	0.187	S	C	.	.	H	α-helix	trans	-55.1	-41.5	-170.4	-176.4	-124.6	0	0	0	115.7	D262 R266 S312 I313	D262-Y309 WeakPolarHBondContact OD2-CD2 3.23Å; R266-Y309 VanDerWaalsContact NH2-CB 3.28Å; Y309-S312 WeakPolarHBondContact O-CB 3.35Å; Y309-I313 HydrophobicContact CD2-CD1 3.98Å; Y309-I313 HydrophobicContact CD2-CG1 4.47Å; Y309-I313 HydrophobicContact CE1-CD1 4.01Å; Y309-I313 HydrophobicContact CE2-CD1 3.41Å; Y309-I313 VanDerWaalsContact CE2-CD1 3.41Å; Y309-I313 HydrophobicContact CE2-CG1 4.25Å; Y309-I313 VanDerWaalsContact CZ-CD1 3.41Å; Y309-I313 PolarHBondContact O-N 3.3Å; Y309-I313 VanDerWaalsContact O-N 3.1Å
310	A	78.2	Confident	84.7	Confident	49 Å²	49	37.8 Å²	37.8	41%	0.405	20%	0.2	S	C	.	.	H	α-helix	trans	-66.1	-49.7	-178.6	0	0	0	0	0	111.2	E110 G308 S312 I313 S314	E110-A310 VanDerWaalsContact OE2-CB 3.28Å; E110-A310 WeakPolarHBondContact OE2-CB 3.08Å; G308-A310 PolarHBondContact O-N 2.98Å; A310-S312 PolarHBondContact O-N 2.88Å; A310-I313 PolarHBondContact O-N 2.94Å; A310-S314 PolarHBondContact O-N 3.27Å; A310-S314 VanDerWaalsContact O-N 3.09Å
311	K	81.4	Confident	84.6	Confident	55 Å²	55	38.9 Å²	38.9	24%	0.239	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-43.5	175.7	-160.8	77.7	-176.7	-164.1	0	112.2	E128 L307 G308 I313 S314 L315	E128-K311 VanDerWaalsContact OE1-CE 3.26Å; E128-K311 WeakPolarHBondContact OE1-CE 3.39Å; E128-K311 IonicContact OE1-NZ 3.73Å; E128-K311 PolarHBondContact OE1-NZ 3.49Å; L307-K311 HydrophobicContact CD1-CG 4.31Å; L307-K311 HydrophobicContact CD2-CG 4.27Å; G308-K311 PolarHBondContact O-N 3.24Å; K311-I313 PolarHBondContact O-N 3.01Å; K311-S314 WeakPolarHBondContact O-CA 3.28Å; K311-S314 WeakPolarHBondContact O-CB 3.5Å; K311-S314 PolarHBondContact O-N 2.83Å; K311-S314 PolarHBondContact O-OG 3.04Å; K311-L315 PolarHBondContact O-N 2.03Å
312	S	85	Confident	84.4	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-51.5	-51.1	175.3	-70.6	0	0	0	0	112.8	D261 D262 G308 Y309 A310 S314 L315 I316	D261-S312 WeakPolarHBondContact OD1-CA 3.35Å; D261-S312 WeakPolarHBondContact OD1-CB 3.26Å; D261-S312 PolarHBondContact OD1-OG 2.92Å; D262-S312 VanDerWaalsContact CB-OG 3.22Å; D262-S312 WeakPolarHBondContact CB-OG 3.48Å; D262-S312 PolarHBondContact N-OG 2.82Å; G308-S312 VanDerWaalsContact O-CB 3.31Å; G308-S312 WeakPolarHBondContact O-CB 3.49Å; G308-S312 PolarHBondContact O-N 3.43Å; G308-S312 PolarHBondContact O-OG 3.22Å; Y309-S312 WeakPolarHBondContact O-CB 3.35Å; A310-S312 PolarHBondContact O-N 2.88Å; S312-S314 VanDerWaalsContact C-N 3.33Å; S312-S314 PolarHBondContact O-N 2.98Å; S312-L315 PolarHBondContact O-N 3.1Å; S312-I316 PolarHBondContact O-N 2.79Å
313	I	81.8	Confident	84.3	Confident	83 Å²	83	47.9 Å²	47.9	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-69.1	-29	176.2	-70.4	176.7	0	0	0	112.6	Y309 A310 K311 L315	Y309-I313 HydrophobicContact CD2-CD1 3.98Å; Y309-I313 HydrophobicContact CD2-CG1 4.47Å; Y309-I313 HydrophobicContact CE1-CD1 4.01Å; Y309-I313 HydrophobicContact CE2-CD1 3.41Å; Y309-I313 VanDerWaalsContact CE2-CD1 3.41Å; Y309-I313 HydrophobicContact CE2-CG1 4.25Å; Y309-I313 VanDerWaalsContact CZ-CD1 3.41Å; Y309-I313 PolarHBondContact O-N 3.3Å; Y309-I313 VanDerWaalsContact O-N 3.1Å; A310-I313 PolarHBondContact O-N 2.94Å; K311-I313 PolarHBondContact O-N 3.01Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 3.03Å
314	S	84.7	Confident	84.5	Confident	67 Å²	67	47.2 Å²	47.2	47%	0.469	25%	0.249	S	C	.	.	H	α-helix	trans	-69.8	-23	177.1	80.1	0	0	0	0	113.9	A310 K311 S312	A310-S314 PolarHBondContact O-N 3.27Å; A310-S314 VanDerWaalsContact O-N 3.09Å; K311-S314 WeakPolarHBondContact O-CA 3.28Å; K311-S314 WeakPolarHBondContact O-CB 3.5Å; K311-S314 PolarHBondContact O-N 2.83Å; K311-S314 PolarHBondContact O-OG 3.04Å; S312-S314 VanDerWaalsContact C-N 3.33Å; S312-S314 PolarHBondContact O-N 2.98Å
315	L	86.6	Confident	84.5	Confident	11 Å²	11	47.9 Å²	47.9	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-90.6	-44.5	-179.5	-63.9	177.1	0	0	0	112.3	L307 K311 S312 I313 N327 V328 W331 F351	L307-L315 HydrophobicContact CD1-CD1 3.51Å; K311-L315 PolarHBondContact O-N 2.03Å; S312-L315 PolarHBondContact O-N 3.1Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 3.03Å; L315-N327 HydrophobicContact CD2-CB 4.14Å; L315-N327 WeakPolarHBondContact O-CB 3.49Å; L315-N327 PolarHBondContact O-ND2 2.68Å; L315-V328 HydrophobicContact CB-CG2 4.45Å; L315-W331 HydrophobicContact CD1-CB 4.47Å; L315-W331 HydrophobicContact CD1-CD2 4.44Å; L315-W331 HydrophobicContact CD1-CG 4.18Å; L315-W331 HydrophobicContact CD2-CB 3.9Å; L315-W331 HydrophobicContact CD2-CG 4.37Å; L315-F351 HydrophobicContact CD1-CE2 3.73Å; L315-F351 HydrophobicContact CD1-CZ 3.81Å
316	I	89.5	Confident	84.3	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.036	28%	0.278	C	S	.	.			trans	-96.9	109	-171.8	-53.3	-56.6	0	0	0	112.2	S312 V328 F351 T353 Q355 F357 L380	S312-I316 PolarHBondContact O-N 2.79Å; I316-V328 HydrophobicContact CD1-CG2 4.2Å; I316-F351 HydrophobicContact CD1-CD1 4.22Å; I316-F351 HydrophobicContact CD1-CE1 3.85Å; I316-F351 HydrophobicContact CG1-CE1 4.22Å; I316-T353 HydrophobicContact CD1-CG2 4.16Å; I316-T353 HydrophobicContact CG1-CG2 4.3Å; I316-Q355 HydrophobicContact CG2-CB 4.03Å; I316-F357 HydrophobicContact CG2-CB 3.96Å; I316-L380 HydrophobicContact CD1-CD1 3.71Å; I316-L380 HydrophobicContact CD1-CD2 4.28Å
317	E	84.6	Confident	84.3	Confident	69 Å²	69	55.3 Å²	55.3	32%	0.322	29%	0.289	S	S	.	.			trans	-93.2	114.1	174.2	-175.3	167.2	-115.6	0	0	110.9	G319 N320 R323 S324	E317-G319 PolarHBondContact O-N 3.27Å; E317-N320 HydrophobicContact CB-CB 4.25Å; E317-N320 HydrophobicContact CG-CB 3.95Å; E317-N320 PolarHBondContact O-N 3.03Å; E317-N320 VanDerWaalsContact O-N 3.08Å; E317-N320 PolarHBondContact OE2-ND2 3.1Å; E317-R323 IonicContact OE1-CZ 3.42Å; E317-R323 IonicContact OE1-NH1 2.66Å; E317-R323 PolarHBondContact OE1-NH1 2.97Å; E317-R323 WeakPolarHBondContact OE2-CD 3.35Å; E317-R323 IonicContact OE2-CZ 3.46Å; E317-R323 IonicContact OE2-NE 2.84Å; E317-R323 IonicContact OE2-NH1 3.45Å; E317-R323 PolarHBondContact OE2-NH1 3.37Å; E317-S324 PolarHBondContact N-OG 3.28Å; E317-S324 PolarHBondContact O-OG 2.86Å; E317-S324 VanDerWaalsContact O-OG 3.07Å
318	R	79.9	Confident	84.5	Confident	184 Å²	184	55.1 Å²	55.1	69%	0.694	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	125	-174.3	-64.9	-175.9	-178.9	-166.6	-2.5	112	N320 G356	R318-N320 VanDerWaalsContact C-N 3.29Å; R318-G356 WeakPolarHBondContact CA-O 3.33Å
319	G	77.1	Confident	84.7	Confident	59 Å²	59	55.4 Å²	55.4	61%	0.608	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	5.4	-177.7	0	0	0	0	0	115	E317 F357	E317-G319 PolarHBondContact O-N 3.27Å; G319-F357 CarbonylContact C-O 3.19Å; G319-F357 VanDerWaalsContact CA-O 3.26Å; G319-F357 WeakPolarHBondContact CA-O 3.01Å; G319-F357 PolarHBondContact N-O 3.21Å
320	N	83.8	Confident	84.8	Confident	53 Å²	53	57.4 Å²	57.4	28%	0.283	30%	0.295	S	S	.	.			trans	-123.2	88.4	173.1	-168.4	-10.3	0	0	0	111	E317 R318 R323 S324 F357	E317-N320 HydrophobicContact CB-CB 4.25Å; E317-N320 HydrophobicContact CG-CB 3.95Å; E317-N320 PolarHBondContact O-N 3.03Å; E317-N320 VanDerWaalsContact O-N 3.08Å; E317-N320 PolarHBondContact OE2-ND2 3.1Å; R318-N320 VanDerWaalsContact C-N 3.29Å; N320-R323 HydrophobicContact CB-CB 4.41Å; N320-R323 VanDerWaalsContact CG-CB 3.49Å; N320-R323 WeakPolarHBondContact ND2-CB 3.23Å; N320-R323 PolarHBondContact OD1-N 3.33Å; N320-S324 WeakPolarHBondContact O-CB 3.23Å; N320-S324 PolarHBondContact O-N 3.22Å; N320-S324 VanDerWaalsContact O-N 3.12Å; N320-S324 PolarHBondContact O-OG 3.06Å; N320-F357 CarbonylContact C-O 3.38Å; N320-F357 PolarHBondContact N-O 2.83Å
321	P	85.4	Confident	85.4	Confident	24 Å²	24	55.9 Å²	55.9	16%	0.156	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-39.3	-176.7	26	-33.3	0	0	0	111.8	S324 L325 F357 M362 Y365	P321-S324 PolarHBondContact O-N 2.81Å; P321-L325 WeakPolarHBondContact O-CB 3.4Å; P321-L325 PolarHBondContact O-N 3.04Å; P321-F357 HydrophobicContact CB-CD2 3.95Å; P321-F357 WeakPolarHBondContact CD-O 3.28Å; P321-M362 HydrophobicContact CB-SD 3.71Å; P321-M362 HydrophobicContact CG-SD 3.96Å; P321-Y365 HydrophobicContact CB-CD1 4.22Å; P321-Y365 HydrophobicContact CB-CG 4.17Å
322	S	82.7	Confident	85.6	Confident	69 Å²	69	53.5 Å²	53.5	48%	0.483	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-48.6	-178.2	179.4	0	0	0	0	112.3	L325 E326	S322-L325 PolarHBondContact O-N 3.25Å; S322-E326 PolarHBondContact O-N 2.97Å
323	R	84.1	Confident	85.6	Confident	121 Å²	121	58.2 Å²	58.2	46%	0.457	29%	0.291	S	S	.	.	H	α-helix	trans	-73.4	-30.8	178.7	-170.1	155.2	163.5	-121.9	-3.1	113.2	E317 N320 E326 N327	E317-R323 IonicContact OE1-CZ 3.42Å; E317-R323 IonicContact OE1-NH1 2.66Å; E317-R323 PolarHBondContact OE1-NH1 2.97Å; E317-R323 WeakPolarHBondContact OE2-CD 3.35Å; E317-R323 IonicContact OE2-CZ 3.46Å; E317-R323 IonicContact OE2-NE 2.84Å; E317-R323 IonicContact OE2-NH1 3.45Å; E317-R323 PolarHBondContact OE2-NH1 3.37Å; N320-R323 HydrophobicContact CB-CB 4.41Å; N320-R323 VanDerWaalsContact CG-CB 3.49Å; N320-R323 WeakPolarHBondContact ND2-CB 3.23Å; N320-R323 PolarHBondContact OD1-N 3.33Å; R323-E326 PolarHBondContact O-N 3.42Å; R323-N327 WeakPolarHBondContact O-CB 3.01Å; R323-N327 PolarHBondContact O-N 2.76Å; R323-N327 PolarHBondContact O-ND2 3.28Å
324	S	90.1	Very high	85.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-43.7	171.4	-60.7	0	0	0	0	111.4	E317 N320 P321 V328 L380	E317-S324 PolarHBondContact N-OG 3.28Å; E317-S324 PolarHBondContact O-OG 2.86Å; E317-S324 VanDerWaalsContact O-OG 3.07Å; N320-S324 WeakPolarHBondContact O-CB 3.23Å; N320-S324 PolarHBondContact O-N 3.22Å; N320-S324 VanDerWaalsContact O-N 3.12Å; N320-S324 PolarHBondContact O-OG 3.06Å; P321-S324 PolarHBondContact O-N 2.81Å; S324-V328 WeakPolarHBondContact O-CG2 3.33Å; S324-V328 PolarHBondContact O-N 2.94Å; S324-V328 VanDerWaalsContact O-N 3.09Å; S324-L380 VanDerWaalsContact CB-CD2 3.43Å
325	L	89.7	Confident	85.7	Confident	13 Å²	13	57.2 Å²	57.2	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-44.9	174	178.5	65.6	0	0	0	111.6	P321 S322 N327 V328 C329 Y365 L380	P321-L325 WeakPolarHBondContact O-CB 3.4Å; P321-L325 PolarHBondContact O-N 3.04Å; S322-L325 PolarHBondContact O-N 3.25Å; L325-N327 VanDerWaalsContact C-N 3.32Å; L325-N327 PolarHBondContact O-N 3.13Å; L325-V328 PolarHBondContact O-N 3.06Å; L325-V328 VanDerWaalsContact O-N 3.13Å; L325-C329 VanDerWaalsContact CD1-SG 3.58Å; L325-C329 WeakPolarHBondContact O-CB 3.14Å; L325-C329 PolarHBondContact O-N 3.43Å; L325-C329 PolarHBondContact O-SG 2.69Å; L325-Y365 HydrophobicContact CB-CD1 3.86Å; L325-Y365 HydrophobicContact CB-CE1 4.43Å; L325-Y365 HydrophobicContact CD2-CD1 3.45Å; L325-Y365 VanDerWaalsContact CD2-CD1 3.45Å; L325-Y365 HydrophobicContact CD2-CE1 3.76Å; L325-Y365 HydrophobicContact CD2-CG 4.4Å; L325-Y365 HydrophobicContact CG-CD1 4.28Å; L325-L380 HydrophobicContact CB-CB 4.5Å; L325-L380 HydrophobicContact CD1-CB 3.99Å
326	E	85.8	Confident	85.3	Confident	114 Å²	114	59.1 Å²	59.1	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-56.2	-45.9	176.9	-167.3	-164.7	159.1	0	0	111.7	S322 R323 V328 R330	S322-E326 PolarHBondContact O-N 2.97Å; R323-E326 PolarHBondContact O-N 3.42Å; E326-V328 PolarHBondContact O-N 3.1Å; E326-R330 WeakPolarHBondContact O-CB 3.28Å; E326-R330 PolarHBondContact O-N 2.68Å
327	N	88.2	Confident	84.7	Confident	44 Å²	44	61.5 Å²	61.5	24%	0.235	30%	0.302	C	S	.	.	H	α-helix	trans	-59.1	-45.5	175.8	-70.3	-24.3	0	0	0	111.9	L315 R323 L325 R330 W331	L315-N327 HydrophobicContact CD2-CB 4.14Å; L315-N327 WeakPolarHBondContact O-CB 3.49Å; L315-N327 PolarHBondContact O-ND2 2.68Å; R323-N327 WeakPolarHBondContact O-CB 3.01Å; R323-N327 PolarHBondContact O-N 2.76Å; R323-N327 PolarHBondContact O-ND2 3.28Å; L325-N327 VanDerWaalsContact C-N 3.32Å; L325-N327 PolarHBondContact O-N 3.13Å; N327-R330 PolarHBondContact O-N 3.31Å; N327-W331 WeakPolarHBondContact O-CB 3.33Å; N327-W331 PolarHBondContact O-N 3.25Å
328	V	91.7	Very high	83.2	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-65.1	-48.7	179.2	162.3	0	0	0	0	111.9	L315 I316 S324 L325 E326 R330 W331 A332 F351 L380	L315-V328 HydrophobicContact CB-CG2 4.45Å; I316-V328 HydrophobicContact CD1-CG2 4.2Å; S324-V328 WeakPolarHBondContact O-CG2 3.33Å; S324-V328 PolarHBondContact O-N 2.94Å; S324-V328 VanDerWaalsContact O-N 3.09Å; L325-V328 PolarHBondContact O-N 3.06Å; L325-V328 VanDerWaalsContact O-N 3.13Å; E326-V328 PolarHBondContact O-N 3.1Å; V328-R330 VanDerWaalsContact C-N 3.29Å; V328-R330 PolarHBondContact O-N 3.24Å; V328-W331 WeakPolarHBondContact O-CB 3.44Å; V328-W331 PolarHBondContact O-N 2.82Å; V328-W331 VanDerWaalsContact O-N 3.16Å; V328-A332 PolarHBondContact O-N 2.75Å; V328-F351 HydrophobicContact CB-CB 4.49Å; V328-F351 HydrophobicContact CB-CG 4.47Å; V328-F351 HydrophobicContact CG1-CB 3.44Å; V328-F351 VanDerWaalsContact CG1-CB 3.44Å; V328-F351 HydrophobicContact CG1-CD2 4.01Å; V328-F351 HydrophobicContact CG1-CG 3.82Å; V328-F351 HydrophobicContact CG2-CB 4.2Å; V328-F351 HydrophobicContact CG2-CD1 3.9Å; V328-F351 HydrophobicContact CG2-CD2 3.98Å; V328-F351 HydrophobicContact CG2-CE1 4.26Å; V328-F351 HydrophobicContact CG2-CE2 4.33Å; V328-F351 HydrophobicContact CG2-CG 3.75Å; V328-F351 HydrophobicContact CG2-CZ 4.47Å; V328-L380 HydrophobicContact CG2-CD1 4.47Å
329	C	86.7	Confident	82.2	Confident	12 Å²	12	58.4 Å²	58.4	8%	0.081	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-41.1	176.5	-63.5	0	0	0	0	111.6	L325 A332 F333 C378	L325-C329 VanDerWaalsContact CD1-SG 3.58Å; L325-C329 WeakPolarHBondContact O-CB 3.14Å; L325-C329 PolarHBondContact O-N 3.43Å; L325-C329 PolarHBondContact O-SG 2.69Å; C329-A332 PolarHBondContact O-N 2.67Å; C329-F333 PolarHBondContact O-N 2.89Å; C329-C378 HydrophobicContact CB-CB 3.86Å; C329-C378 WeakPolarHBondContact CB-SG 3.15Å; C329-C378 WeakPolarHBondContact SG-CB 3.28Å; C329-C378 CovalentContact SG-SG 2.03Å; C329-C378 PolarHBondContact SG-SG 3.23Å
330	R	84.9	Confident	81.2	Confident	169 Å²	169	61.5 Å²	61.5	64%	0.638	33%	0.327	S	S	*	.	H	α-helix	trans	-68.3	-34.8	176.7	-173.9	175.4	-176.6	157.6	1.4	112.8	E326 N327 V328 V334	E326-R330 WeakPolarHBondContact O-CB 3.28Å; E326-R330 PolarHBondContact O-N 2.68Å; N327-R330 PolarHBondContact O-N 3.31Å; V328-R330 VanDerWaalsContact C-N 3.29Å; V328-R330 PolarHBondContact O-N 3.24Å; R330-V334 WeakPolarHBondContact O-CG2 3.34Å; R330-V334 PolarHBondContact O-N 2.93Å
331	W	89.1	Confident	79.9	Confident	17 Å²	17	66.3 Å²	66.3	6%	0.064	35%	0.353	C	S	.	.	H	α-helix	trans	-67.8	-45.3	172.3	167	84.7	0	0	0	111.5	L257 I305 L307 L315 N327 V328 F333 V334 Q335 F351	L257-W331 HydrophobicContact CD2-CH2 4.44Å; L257-W331 HydrophobicContact CD2-CZ3 4.41Å; I305-W331 HydrophobicContact CB-CH2 4.26Å; I305-W331 HydrophobicContact CB-CZ2 4.07Å; I305-W331 HydrophobicContact CD1-CH2 4.21Å; I305-W331 HydrophobicContact CD1-CZ2 3.9Å; I305-W331 HydrophobicContact CG2-CZ2 4.03Å; L307-W331 HydrophobicContact CD1-CZ2 4.29Å; L307-W331 HydrophobicContact CD2-CZ2 4.13Å; L307-W331 HydrophobicContact CG-CZ2 4.49Å; L315-W331 HydrophobicContact CD1-CB 4.47Å; L315-W331 HydrophobicContact CD1-CD2 4.44Å; L315-W331 HydrophobicContact CD1-CG 4.18Å; L315-W331 HydrophobicContact CD2-CB 3.9Å; L315-W331 HydrophobicContact CD2-CG 4.37Å; N327-W331 WeakPolarHBondContact O-CB 3.33Å; N327-W331 PolarHBondContact O-N 3.25Å; V328-W331 WeakPolarHBondContact O-CB 3.44Å; V328-W331 PolarHBondContact O-N 2.82Å; V328-W331 VanDerWaalsContact O-N 3.16Å; W331-F333 PolarHBondContact O-N 2.84Å; W331-V334 PolarHBondContact O-N 3.08Å; W331-V334 VanDerWaalsContact O-N 3.12Å; W331-Q335 HydrophobicContact CZ2-CG 4.14Å; W331-Q335 PolarHBondContact O-N 2.76Å; W331-F351 HydrophobicContact CE3-CD2 4.2Å; W331-F351 HydrophobicContact CE3-CE2 4.39Å; W331-F351 AromaticContact CZ3-CD2 3.99Å; W331-F351 HydrophobicContact CZ3-CD2 3.99Å; W331-F351 HydrophobicContact CZ3-CE2 4.32Å
332	A	86.4	Confident	78.9	Confident	5 Å²	5	69 Å²	69	4%	0.041	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-44.9	177	0	0	0	0	0	112.1	V328 C329 V334 Q335 Q336 A349	V328-A332 PolarHBondContact O-N 2.75Å; C329-A332 PolarHBondContact O-N 2.67Å; A332-V334 PolarHBondContact O-N 3.4Å; A332-Q335 WeakPolarHBondContact O-CA 3.5Å; A332-Q335 WeakPolarHBondContact O-CB 3.26Å; A332-Q335 PolarHBondContact O-N 2.77Å; A332-Q336 PolarHBondContact O-N 3.16Å; A332-A349 HydrophobicContact CB-CB 3.45Å; A332-A349 VanDerWaalsContact CB-CB 3.45Å
333	F	85.8	Confident	77.9	Confident	101 Å²	101	68.3 Å²	68.3	44%	0.443	36%	0.361	S	S	.	.	H	α-helix	trans	-54.8	-37	174.3	175.9	-118	0	0	0	113.1	C329 W331 Q335 Q336 P374 V375	C329-F333 PolarHBondContact O-N 2.89Å; W331-F333 PolarHBondContact O-N 2.84Å; F333-Q335 VanDerWaalsContact C-N 3.29Å; F333-Q335 PolarHBondContact O-N 2.88Å; F333-Q336 WeakPolarHBondContact O-CB 3.25Å; F333-Q336 PolarHBondContact O-N 3.39Å; F333-P374 WeakPolarHBondContact CB-O 3.49Å; F333-P374 HydrophobicContact CD2-CB 3.93Å; F333-P374 VanDerWaalsContact CD2-O 3.27Å; F333-P374 WeakPolarHBondContact CD2-O 3.24Å; F333-P374 HydrophobicContact CE2-CB 4.05Å; F333-V375 HydrophobicContact CD2-CG2 4Å; F333-V375 HydrophobicContact CE2-CG2 4.27Å; F333-V375 HydrophobicContact CG-CG2 4.13Å
334	V	84.1	Confident	77.3	Confident	108 Å²	108	63.8 Å²	63.8	66%	0.655	35%	0.345	S	S	*	.	H	α-helix	trans	-73	-20.6	177.3	171.9	0	0	0	0	112.5	R330 W331 A332	R330-V334 WeakPolarHBondContact O-CG2 3.34Å; R330-V334 PolarHBondContact O-N 2.93Å; W331-V334 PolarHBondContact O-N 3.08Å; W331-V334 VanDerWaalsContact O-N 3.12Å; A332-V334 PolarHBondContact O-N 3.4Å
335	Q	82.7	Confident	76.8	Confident	21 Å²	21	64.7 Å²	64.7	10%	0.098	35%	0.349	C	S	.	.	H	α-helix	trans	-86	-9.4	175.7	-63.6	-57.3	-34.9	0	0	114	L257 R303 I305 W331 A332 F333	L257-Q335 HydrophobicContact CD2-CB 3.63Å; L257-Q335 HydrophobicContact CD2-CG 4.22Å; R303-Q335 PolarHBondContact NH1-O 2.95Å; R303-Q335 VanDerWaalsContact NH1-OE1 3.14Å; I305-Q335 HydrophobicContact CD1-CG 3.89Å; W331-Q335 HydrophobicContact CZ2-CG 4.14Å; W331-Q335 PolarHBondContact O-N 2.76Å; A332-Q335 WeakPolarHBondContact O-CA 3.5Å; A332-Q335 WeakPolarHBondContact O-CB 3.26Å; A332-Q335 PolarHBondContact O-N 2.77Å; F333-Q335 VanDerWaalsContact C-N 3.29Å; F333-Q335 PolarHBondContact O-N 2.88Å
336	Q	79.4	Confident	76.7	Confident	50 Å²	50	64.6 Å²	64.6	23%	0.234	35%	0.348	C	S	.	.			trans	-69.8	144.9	-173.3	-177.2	59.2	-63	0	0	113.4	A332 F333 H345 H346	A332-Q336 PolarHBondContact O-N 3.16Å; F333-Q336 WeakPolarHBondContact O-CB 3.25Å; F333-Q336 PolarHBondContact O-N 3.39Å; Q336-H345 VanDerWaalsContact CD-CE1 3.5Å; Q336-H345 PolarHBondContact NE2-CE1 2.98Å; Q336-H345 VanDerWaalsContact NE2-CE1 3.31Å; Q336-H345 PolarHBondContact OE1-ND1 3.45Å; Q336-H346 PolarHBondContact NE2-O 2.9Å; Q336-H346 PolarHBondContact OE1-CE1 2.88Å; Q336-H346 PolarHBondContact OE1-ND1 2.03Å; Q336-H346 VanDerWaalsContact OE1-ND1 3.17Å
337	K	77.3	Confident	76.8	Confident	57 Å²	57	59.7 Å²	59.7	25%	0.248	33%	0.326	C	S	.	.			trans	-94.8	131.5	173.1	-53.6	-62.7	174.9	151.8	0	109.8	D339 E344 H345	K337-D339 PolarHBondContact O-N 2.93Å; K337-E344 HydrophobicContact CD-CB 4.36Å; K337-E344 WeakPolarHBondContact CE-OE2 3.39Å; K337-E344 HydrophobicContact CG-CB 3.95Å; K337-E344 WeakPolarHBondContact CG-O 3.35Å; K337-E344 IonicContact NZ-OE2 3.22Å; K337-E344 PolarHBondContact NZ-OE2 2.9Å; K337-H345 PolarHBondContact O-CE1 2.83Å; K337-H345 PolarHBondContact O-ND1 3.1Å
338	G	53.1	Low	77.1	Confident	97 Å²	97	57.6 Å²	57.6	100%	1	32%	0.315	S	S	*	.	S	Bend	trans	-80.8	8.8	-178.3	0	0	0	0	0	115.5
339	D	58.9	Low	77.2	Confident	92 Å²	92	57.7 Å²	57.7	49%	0.492	32%	0.316	S	S	.	.			trans	-120.8	135.4	174.1	-168.3	-0.6	0	0	0	107.8	K337 H342 H345	K337-D339 PolarHBondContact O-N 2.93Å; D339-H342 HydrophobicContact CB-CB 4.18Å; D339-H345 PolarHBondContact O-ND1 3Å
340	L	55.9	Low	77.6	Confident	123 Å²	123	57.2 Å²	57.2	64%	0.644	31%	0.312	S	S	*	.	S	Bend	trans	-85.5	-33.9	-172.6	-65	173.2	0	0	0	111.6	H342	L340-H342 PolarHBondContact O-N 3.39Å; L340-H342 VanDerWaalsContact O-N 3.11Å
341	D	56.1	Low	78.1	Confident	155 Å²	155	49.2 Å²	49.2	83%	0.829	28%	0.282	S	S	*	.	S	Bend	trans	-82.2	19.9	-179.7	-59.2	-44.4	0	0	0	111.8
342	H	63.7	Low	78.4	Confident	81 Å²	81	48.4 Å²	48.4	38%	0.375	28%	0.279	S	S	.	.	S	Bend	trans	-106.6	124.3	-173.2	-172.6	-54.3	0	0	0	111.6	D339 L340 E344 H345	D339-H342 HydrophobicContact CB-CB 4.18Å; L340-H342 PolarHBondContact O-N 3.39Å; L340-H342 VanDerWaalsContact O-N 3.11Å; H342-E344 PolarHBondContact ND1-N 2.83Å; H342-E344 VanDerWaalsContact ND1-N 3.16Å; H342-E344 PolarHBondContact O-N 3Å; H342-H345 VanDerWaalsContact O-CB 3.31Å; H342-H345 WeakPolarHBondContact O-CB 3.39Å; H342-H345 PolarHBondContact O-N 2.82Å
343	A	61.6	Low	78.7	Confident	53 Å²	53	48.2 Å²	48.2	44%	0.438	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	28.8	-178.5	0	0	0	0	0	116.6
344	E	71.4	Confident	78.8	Confident	27 Å²	27	46.1 Å²	46.1	13%	0.126	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138	9.9	166.2	-61.5	-174.6	-168	0	0	111.2	R133 K337 H342	R133-E344 IonicContact CZ-OE1 3.19Å; R133-E344 VanDerWaalsContact CZ-OE1 3.25Å; R133-E344 IonicContact CZ-OE2 2.81Å; R133-E344 IonicContact NH1-OE1 2.68Å; R133-E344 PolarHBondContact NH1-OE1 3.02Å; R133-E344 IonicContact NH2-OE1 2.8Å; R133-E344 PolarHBondContact NH2-OE1 3.37Å; R133-E344 IonicContact NH2-OE2 3.95Å; R133-E344 PolarHBondContact NH2-OE2 3.14Å; K337-E344 HydrophobicContact CD-CB 4.36Å; K337-E344 WeakPolarHBondContact CE-OE2 3.39Å; K337-E344 HydrophobicContact CG-CB 3.95Å; K337-E344 WeakPolarHBondContact CG-O 3.35Å; K337-E344 IonicContact NZ-OE2 3.22Å; K337-E344 PolarHBondContact NZ-OE2 2.9Å; H342-E344 PolarHBondContact ND1-N 2.83Å; H342-E344 VanDerWaalsContact ND1-N 3.16Å; H342-E344 PolarHBondContact O-N 3Å
345	H	81.3	Confident	78.9	Confident	19 Å²	19	42 Å²	42	9%	0.088	24%	0.24	C	C	.	.			trans	-68.5	161.5	169.3	-168.3	74.4	0	0	0	110.1	E255 V302 Q336 K337 D339 H342	E255-H345 IonicContact OE2-CD2 3.37Å; V302-H345 WeakPolarHBondContact CG2-O 3.11Å; Q336-H345 VanDerWaalsContact CD-CE1 3.5Å; Q336-H345 PolarHBondContact NE2-CE1 2.98Å; Q336-H345 VanDerWaalsContact NE2-CE1 3.31Å; Q336-H345 PolarHBondContact OE1-ND1 3.45Å; K337-H345 PolarHBondContact O-CE1 2.83Å; K337-H345 PolarHBondContact O-ND1 3.1Å; D339-H345 PolarHBondContact O-ND1 3Å; H342-H345 VanDerWaalsContact O-CB 3.31Å; H342-H345 WeakPolarHBondContact O-CB 3.39Å; H342-H345 PolarHBondContact O-N 2.82Å
346	H	86.9	Confident	78.7	Confident	10 Å²	10	43.2 Å²	43.2	5%	0.046	26%	0.258	C	S	.	.			trans	-152.1	138.4	174	62	-78.9	0	0	0	112.4	L257 V302 Q336 H348	L257-H346 HydrophobicContact CB-CB 4.09Å; V302-H346 HydrophobicContact CG2-CB 3.8Å; Q336-H346 PolarHBondContact NE2-O 2.9Å; Q336-H346 PolarHBondContact OE1-CE1 2.88Å; Q336-H346 PolarHBondContact OE1-ND1 2.03Å; Q336-H346 VanDerWaalsContact OE1-ND1 3.17Å; H346-H348 PolarHBondContact CD2-O 2.77Å
347	D	88.1	Confident	79	Confident	11 Å²	11	40.9 Å²	40.9	6%	0.059	25%	0.247	C	C	.	.	S	Bend	trans	-75.8	-32	172.3	-58.1	-48.7	0	0	0	112	I254 E255 M371 S377 C451 L452	I254-D347 HydrophobicContact CG2-CB 4.16Å; E255-D347 PolarHBondContact N-OD2 2.59Å; E255-D347 PolarHBondContact O-N 2.94Å; D347-M371 HydrophobicContact CB-SD 4.3Å; D347-S377 WeakPolarHBondContact O-CB 3.14Å; D347-S377 PolarHBondContact O-OG 2.93Å; D347-C451 VanDerWaalsContact OD1-CB 3.23Å; D347-C451 WeakPolarHBondContact OD1-CB 2.99Å; D347-C451 PolarHBondContact OD1-SG 2.76Å; D347-L452 HydrophobicContact CB-CD2 4.04Å
348	H	93.2	Very high	79.1	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.3	-168.2	-165.5	58.3	0	0	0	113.6	I254 E255 I256 L257 H346 M371 S377 C378	I254-H348 HydrophobicContact CG2-CB 3.74Å; E255-H348 PolarHBondContact O-N 3.2Å; I256-H348 WeakPolarHBondContact CA-O 3.38Å; I256-H348 HydrophobicContact CG1-CB 4.44Å; L257-H348 PolarHBondContact N-O 3.42Å; H346-H348 PolarHBondContact CD2-O 2.77Å; H348-M371 HydrophobicContact CB-CE 4.16Å; H348-M371 HydrophobicContact CB-SD 3.9Å; H348-S377 WeakPolarHBondContact CA-OG 3.16Å; H348-S377 VanDerWaalsContact ND1-C 3.27Å; H348-S377 PolarHBondContact ND1-O 2.73Å; H348-S377 PolarHBondContact ND1-OG 3.26Å; H348-C378 PolarHBondContact CE1-N 3.22Å
349	A	94	Very high	80.2	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.033	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.5	178	0	0	0	0	0	112.3	L257 A332 S377 C378 T379	L257-A349 HydrophobicContact CB-CB 4.36Å; L257-A349 HydrophobicContact CD2-CB 4.48Å; L257-A349 CarbonylContact O-C 3.56Å; L257-A349 VanDerWaalsContact O-CA 3.32Å; L257-A349 WeakPolarHBondContact O-CA 3.25Å; A332-A349 HydrophobicContact CB-CB 3.45Å; A332-A349 VanDerWaalsContact CB-CB 3.45Å; A349-S377 PolarHBondContact N-O 3.41Å; A349-C378 CarbonylContact O-C 3.6Å; A349-C378 VanDerWaalsContact O-CA 3.25Å; A349-C378 WeakPolarHBondContact O-CA 3.37Å; A349-T379 PolarHBondContact O-N 2.05Å
350	I	96.3	Very high	80.6	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.9	178.2	-64.8	172.5	0	0	0	108.6	I256 L257 L258 G259 M281 L352 V392	I256-I350 HydrophobicContact CD1-CD1 3.56Å; I256-I350 HydrophobicContact CD1-CG1 4.4Å; I256-I350 HydrophobicContact CG2-CB 4.46Å; I256-I350 HydrophobicContact CG2-CD1 3.92Å; I256-I350 HydrophobicContact CG2-CG1 4.16Å; L257-I350 PolarHBondContact O-N 2.57Å; L258-I350 HydrophobicContact CD1-CB 3.85Å; L258-I350 HydrophobicContact CD1-CG2 3.7Å; G259-I350 PolarHBondContact N-O 3.35Å; M281-I350 HydrophobicContact CE-CD1 3.6Å; M281-I350 HydrophobicContact SD-CD1 4.07Å; I350-L352 HydrophobicContact CG2-CD2 3.96Å; I350-L352 HydrophobicContact CG2-CG 4.42Å; I350-V392 HydrophobicContact CD1-CG1 3.66Å; I350-V392 HydrophobicContact CG1-CG1 4.37Å; I350-V392 HydrophobicContact CG2-CG1 3.93Å; I350-V392 HydrophobicContact CG2-CG2 4.41Å
351	F	95.9	Very high	81	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135	175.1	-160	-85.5	0	0	0	111.7	G259 D261 L307 L315 I316 V328 W331 T379 L380 N381	G259-F351 WeakPolarHBondContact O-CA 3.38Å; D261-F351 HydrophobicContact CB-CE1 4.04Å; D261-F351 HydrophobicContact CB-CZ 4.32Å; L307-F351 HydrophobicContact CD1-CE2 3.73Å; L307-F351 HydrophobicContact CD1-CZ 3.97Å; L315-F351 HydrophobicContact CD1-CE2 3.73Å; L315-F351 HydrophobicContact CD1-CZ 3.81Å; I316-F351 HydrophobicContact CD1-CD1 4.22Å; I316-F351 HydrophobicContact CD1-CE1 3.85Å; I316-F351 HydrophobicContact CG1-CE1 4.22Å; V328-F351 HydrophobicContact CB-CB 4.49Å; V328-F351 HydrophobicContact CB-CG 4.47Å; V328-F351 HydrophobicContact CG1-CB 3.44Å; V328-F351 VanDerWaalsContact CG1-CB 3.44Å; V328-F351 HydrophobicContact CG1-CD2 4.01Å; V328-F351 HydrophobicContact CG1-CG 3.82Å; V328-F351 HydrophobicContact CG2-CB 4.2Å; V328-F351 HydrophobicContact CG2-CD1 3.9Å; V328-F351 HydrophobicContact CG2-CD2 3.98Å; V328-F351 HydrophobicContact CG2-CE1 4.26Å; V328-F351 HydrophobicContact CG2-CE2 4.33Å; V328-F351 HydrophobicContact CG2-CG 3.75Å; V328-F351 HydrophobicContact CG2-CZ 4.47Å; W331-F351 HydrophobicContact CE3-CD2 4.2Å; W331-F351 HydrophobicContact CE3-CE2 4.39Å; W331-F351 AromaticContact CZ3-CD2 3.99Å; W331-F351 HydrophobicContact CZ3-CD2 3.99Å; W331-F351 HydrophobicContact CZ3-CE2 4.32Å; F351-T379 WeakPolarHBondContact CB-O 3.33Å; F351-T379 PolarHBondContact N-O 2.8Å; F351-L380 HydrophobicContact CB-CD1 4.49Å; F351-L380 HydrophobicContact CD1-CD1 3.82Å; F351-N381 PolarHBondContact O-N 3.2Å; F351-N381 PolarHBondContact O-ND2 3.32Å; F351-N381 VanDerWaalsContact O-ND2 3.15Å
352	L	94.7	Very high	81.8	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.6	-176.9	-55.2	-179.4	0	0	0	111.5	L258 G259 D261 L277 L280 I350 N381 V392	L258-L352 HydrophobicContact CD1-CD1 4.04Å; L258-L352 HydrophobicContact CD1-CG 4.16Å; G259-L352 PolarHBondContact O-N 3.33Å; D261-L352 WeakPolarHBondContact CB-O 3.18Å; D261-L352 PolarHBondContact N-O 3.12Å; D261-L352 VanDerWaalsContact N-O 3.1Å; L277-L352 HydrophobicContact CD2-CD1 3.46Å; L277-L352 VanDerWaalsContact CD2-CD1 3.46Å; L280-L352 HydrophobicContact CD2-CD1 3.63Å; L280-L352 HydrophobicContact CD2-CD2 4.2Å; I350-L352 HydrophobicContact CG2-CD2 3.96Å; I350-L352 HydrophobicContact CG2-CG 4.42Å; L352-N381 HydrophobicContact CD2-CB 3.93Å; L352-V392 HydrophobicContact CD2-CG2 3.86Å
353	T	92.3	Very high	82.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.1	176.6	-178.8	0	0	0	0	113.2	D261 I316 Q355 F357 L380 N381 H382 E383	D261-T353 PolarHBondContact OD2-OG1 3.22Å; I316-T353 HydrophobicContact CD1-CG2 4.16Å; I316-T353 HydrophobicContact CG1-CG2 4.3Å; T353-Q355 VanDerWaalsContact C-N 3.3Å; T353-Q355 WeakPolarHBondContact OG1-CB 3.47Å; T353-Q355 PolarHBondContact OG1-N 2.81Å; T353-F357 HydrophobicContact CG2-CD1 3.77Å; T353-F357 HydrophobicContact CG2-CE1 3.98Å; T353-L380 HydrophobicContact CG2-CD1 3.9Å; T353-N381 PolarHBondContact N-O 3.21Å; T353-H382 CarbonylContact O-C 3.56Å; T353-H382 VanDerWaalsContact O-CA 3.32Å; T353-H382 WeakPolarHBondContact O-CA 3.44Å; T353-H382 PolarHBondContact O-ND1 2.69Å; T353-E383 PolarHBondContact O-N 2.84Å
354	R	87.6	Confident	83.9	Confident	58 Å²	58	32.5 Å²	32.5	22%	0.219	21%	0.205	C	C	.	.	S	Bend	trans	-88.2	6.5	166.4	-57	-157.7	67.4	94.7	6.6	113.1	S263 V264 H382 E383 D384	S263-R354 PolarHBondContact OG-N 2.82Å; V264-R354 HydrophobicContact CG2-CG 3.95Å; R354-H382 PolarHBondContact O-CE1 3.02Å; R354-E383 WeakPolarHBondContact CD-OE2 3.35Å; R354-E383 HydrophobicContact CG-CB 4.18Å; R354-E383 WeakPolarHBondContact CG-OE2 3.34Å; R354-E383 IonicContact CZ-OE2 3.74Å; R354-E383 IonicContact NE-OE2 2.66Å; R354-E383 PolarHBondContact NH1-O 3.15Å; R354-E383 IonicContact NH1-OE1 2.72Å; R354-E383 PolarHBondContact NH1-OE1 2.94Å; R354-E383 VanDerWaalsContact NH1-OE1 3.07Å; R354-E383 IonicContact NH1-OE2 2.69Å; R354-E383 PolarHBondContact NH1-OE2 2.85Å; R354-D384 IonicContact CZ-OD1 3.21Å; R354-D384 IonicContact NH2-OD1 3.95Å; R354-D384 PolarHBondContact NH2-OD1 3.38Å
355	Q	86	Confident	84.8	Confident	21 Å²	21	35.2 Å²	35.2	10%	0.098	22%	0.215	C	C	.	.	S	Bend	trans	-87.2	140.9	178.1	-59.4	-168.8	78.9	0	0	111.1	D261 I316 T353 F357 H382	D261-Q355 PolarHBondContact OD1-NE2 3.35Å; D261-Q355 PolarHBondContact OD2-NE2 2.99Å; I316-Q355 HydrophobicContact CG2-CB 4.03Å; T353-Q355 VanDerWaalsContact C-N 3.3Å; T353-Q355 WeakPolarHBondContact OG1-CB 3.47Å; T353-Q355 PolarHBondContact OG1-N 2.81Å; Q355-F357 WeakPolarHBondContact O-CD1 2.93Å; Q355-F357 PolarHBondContact O-N 2.82Å; Q355-H382 PolarHBondContact O-ND1 3.02Å
356	G	80.1	Confident	85.2	Confident	46 Å²	46	34.9 Å²	34.9	47%	0.474	22%	0.215	S	C	.	.			trans	-74.8	102.2	175.7	0	0	0	0	0	111.7	R318	R318-G356 WeakPolarHBondContact CA-O 3.33Å
357	F	84.1	Confident	85.1	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.009	22%	0.221	C	C	.	.			trans	-94.6	-29.7	176.2	57.2	-95.2	0	0	0	113.3	I316 G319 N320 P321 T353 Q355 M362 L380 H382	I316-F357 HydrophobicContact CG2-CB 3.96Å; G319-F357 CarbonylContact C-O 3.19Å; G319-F357 VanDerWaalsContact CA-O 3.26Å; G319-F357 WeakPolarHBondContact CA-O 3.01Å; G319-F357 PolarHBondContact N-O 3.21Å; N320-F357 CarbonylContact C-O 3.38Å; N320-F357 PolarHBondContact N-O 2.83Å; P321-F357 HydrophobicContact CB-CD2 3.95Å; P321-F357 WeakPolarHBondContact CD-O 3.28Å; T353-F357 HydrophobicContact CG2-CD1 3.77Å; T353-F357 HydrophobicContact CG2-CE1 3.98Å; Q355-F357 WeakPolarHBondContact O-CD1 2.93Å; Q355-F357 PolarHBondContact O-N 2.82Å; F357-M362 HydrophobicContact CE2-CG 4.41Å; F357-M362 HydrophobicContact CE2-SD 4.41Å; F357-L380 HydrophobicContact CB-CD2 4.33Å; F357-L380 HydrophobicContact CD1-CD1 4.31Å; F357-L380 HydrophobicContact CD1-CD2 4.2Å; F357-L380 HydrophobicContact CD1-CG 4.16Å; F357-L380 HydrophobicContact CD2-CD2 3.84Å; F357-L380 HydrophobicContact CD2-CG 4.24Å; F357-L380 HydrophobicContact CE1-CD1 4.25Å; F357-L380 HydrophobicContact CE1-CD2 4.49Å; F357-L380 HydrophobicContact CE1-CG 4.01Å; F357-L380 HydrophobicContact CE2-CD2 4.17Å; F357-L380 HydrophobicContact CE2-CG 4.1Å; F357-L380 HydrophobicContact CG-CD2 3.87Å; F357-L380 HydrophobicContact CG-CG 4.29Å; F357-L380 HydrophobicContact CZ-CD2 4.48Å; F357-L380 HydrophobicContact CZ-CG 3.98Å; F357-H382 HydrophobicContact CE1-CB 3.95Å; F357-H382 HydrophobicContact CZ-CB 4.34Å
358	G	80.1	Confident	84.8	Confident	18 Å²	18	38.2 Å²	38.2	19%	0.186	24%	0.237	C	C	.	.	S	Bend	trans	-106.9	-178.4	-179.7	0	0	0	0	0	115
359	P	75.1	Confident	84.1	Confident	86 Å²	86	40.6 Å²	40.6	56%	0.558	25%	0.252	S	S	*	.	S	Bend	trans	-67.2	159.5	168.6	30.8	-36	0	0	0	112	G361 M362	P359-G361 PolarHBondContact O-N 3.44Å; P359-G361 VanDerWaalsContact O-N 3.13Å; P359-M362 HydrophobicContact CG-CB 4.21Å; P359-M362 WeakPolarHBondContact O-CB 3.18Å; P359-M362 PolarHBondContact O-N 2.9Å
360	T	68	Low	83.1	Confident	159 Å²	159	40.7 Å²	40.7	98%	0.975	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	116.9	-178.6	-47.7	0	0	0	0	112
361	G	63.8	Low	82.5	Confident	61 Å²	61	41 Å²	41	63%	0.629	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.6	-18	-178.2	0	0	0	0	0	114.8	P359 Q363	P359-G361 PolarHBondContact O-N 3.44Å; P359-G361 VanDerWaalsContact O-N 3.13Å; G361-Q363 PolarHBondContact O-N 3.01Å
362	M	73.9	Confident	81.6	Confident	67 Å²	67	43.2 Å²	43.2	33%	0.33	27%	0.27	S	S	.	.			trans	-72.7	118.9	169.7	177.4	174.9	-82.3	0	0	109.7	P321 F357 P359 G364 Y365	P321-M362 HydrophobicContact CB-SD 3.71Å; P321-M362 HydrophobicContact CG-SD 3.96Å; F357-M362 HydrophobicContact CE2-CG 4.41Å; F357-M362 HydrophobicContact CE2-SD 4.41Å; P359-M362 HydrophobicContact CG-CB 4.21Å; P359-M362 WeakPolarHBondContact O-CB 3.18Å; P359-M362 PolarHBondContact O-N 2.9Å; M362-G364 VanDerWaalsContact CG-O 3.31Å; M362-G364 WeakPolarHBondContact CG-O 3.31Å; M362-Y365 HydrophobicContact CE-CD2 4.17Å; M362-Y365 HydrophobicContact SD-CD2 4.45Å
363	Q	82.3	Confident	80.9	Confident	84 Å²	84	47.4 Å²	47.4	39%	0.393	29%	0.289	S	S	.	.			trans	-106.5	-19.4	177.3	-62.1	-167.8	-1.7	0	0	113.7	G361 H382 V391	G361-Q363 PolarHBondContact O-N 3.01Å; Q363-H382 HydrophobicContact CB-CB 4.42Å; Q363-H382 WeakPolarHBondContact O-CA 2.98Å; Q363-H382 WeakPolarHBondContact O-CB 3.34Å; Q363-H382 PolarHBondContact O-N 2.78Å; Q363-V391 HydrophobicContact CB-CG1 4.12Å; Q363-V391 HydrophobicContact CB-CG2 3.82Å
364	G	87.5	Confident	79.9	Confident	7 Å²	7	50.7 Å²	50.7	7%	0.072	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	167.3	178.4	0	0	0	0	0	112.3	M362 L380 E395	M362-G364 VanDerWaalsContact CG-O 3.31Å; M362-G364 WeakPolarHBondContact CG-O 3.31Å; G364-L380 CarbonylContact C-O 3.44Å; G364-L380 WeakPolarHBondContact CA-O 3.25Å; G364-E395 VanDerWaalsContact C-CD 3.47Å; G364-E395 WeakPolarHBondContact CA-OE1 3Å
365	Y	89.6	Confident	79.3	Confident	84 Å²	84	51.3 Å²	51.3	33%	0.329	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	128.4	169.6	-161.4	-116.5	0	0	0	111.8	P321 L325 M362 L380 E395	P321-Y365 HydrophobicContact CB-CD1 4.22Å; P321-Y365 HydrophobicContact CB-CG 4.17Å; L325-Y365 HydrophobicContact CB-CD1 3.86Å; L325-Y365 HydrophobicContact CB-CE1 4.43Å; L325-Y365 HydrophobicContact CD2-CD1 3.45Å; L325-Y365 VanDerWaalsContact CD2-CD1 3.45Å; L325-Y365 HydrophobicContact CD2-CE1 3.76Å; L325-Y365 HydrophobicContact CD2-CG 4.4Å; L325-Y365 HydrophobicContact CG-CD1 4.28Å; M362-Y365 HydrophobicContact CE-CD2 4.17Å; M362-Y365 HydrophobicContact SD-CD2 4.45Å; Y365-L380 PolarHBondContact N-O 2.65Å; Y365-L380 PolarHBondContact O-N 3.4Å; Y365-E395 VanDerWaalsContact CA-OE2 3.31Å; Y365-E395 WeakPolarHBondContact CA-OE2 2.92Å; Y365-E395 VanDerWaalsContact N-CD 3.32Å; Y365-E395 PolarHBondContact N-OE1 3.09Å; Y365-E395 PolarHBondContact N-OE2 3.44Å
366	A	90.1	Very high	78.9	Confident	12 Å²	12	55.5 Å²	55.5	10%	0.099	34%	0.335	C	S	.	.			trans	-145.2	159.1	-177.4	0	0	0	0	0	113.2	T379 E395 H398 V399	A366-T379 HydrophobicContact CB-CG2 3.91Å; A366-E395 HydrophobicContact CB-CB 3.93Å; A366-E395 WeakPolarHBondContact CB-O 3.38Å; A366-E395 WeakPolarHBondContact CB-OE2 3.37Å; A366-E395 PolarHBondContact N-OE2 3.2Å; A366-H398 HydrophobicContact CB-CB 4.31Å; A366-V399 HydrophobicContact CB-CG2 4.06Å
367	P	84.2	Confident	79.3	Confident	26 Å²	26	53.8 Å²	53.8	17%	0.169	32%	0.317	C	S	.	.			trans	-82.8	124.9	170.6	32.8	-29.7	0	0	0	111	T369 R376 C378 V399	P367-T369 PolarHBondContact O-N 2.86Å; P367-R376 HydrophobicContact CG-CB 4.47Å; P367-R376 WeakPolarHBondContact CG-O 3.28Å; P367-C378 WeakPolarHBondContact CD-O 3.44Å; P367-V399 HydrophobicContact CG-CG2 4.19Å
368	V	82.4	Confident	79.7	Confident	64 Å²	64	53.8 Å²	53.8	39%	0.388	32%	0.316	S	S	.	.	S	Bend	trans	-64.8	124.3	170.6	-173.8	0	0	0	0	109.4	R376 H398	V368-R376 PolarHBondContact O-NH2 3.34Å; V368-H398 CarbonylContact C-O 3.36Å; V368-H398 WeakPolarHBondContact CA-O 3.05Å; V368-H398 HydrophobicContact CG2-CB 4.2Å
369	T	77.2	Confident	80.3	Confident	51 Å²	51	52.9 Å²	52.9	31%	0.313	31%	0.308	S	S	.	.	S	Bend	trans	58.2	127.5	-163.1	67	0	0	0	0	114.4	P367 R376 H398 V399	P367-T369 PolarHBondContact O-N 2.86Å; T369-R376 PolarHBondContact O-NE 3.04Å; T369-R376 PolarHBondContact O-NH2 3.38Å; T369-R376 PolarHBondContact OG1-NH2 2.87Å; T369-H398 PolarHBondContact N-O 2.8Å; T369-V399 CarbonylContact C-O 3.5Å; T369-V399 WeakPolarHBondContact CA-O 3.31Å
370	G	74.2	Confident	81.2	Confident	6 Å²	6	48.8 Å²	48.8	6%	0.062	28%	0.281	C	S	.	.			trans	178.3	-3.9	177.9	0	0	0	0	0	116.1	H373 S377 V399	G370-H373 WeakPolarHBondContact O-CB 3.41Å; G370-H373 PolarHBondContact O-N 3.06Å; G370-S377 WeakPolarHBondContact O-CA 3.46Å; G370-S377 VanDerWaalsContact O-CB 3.24Å; G370-S377 WeakPolarHBondContact O-CB 3.44Å; G370-S377 PolarHBondContact O-N 2.02Å; G370-V399 PolarHBondContact N-O 3.35Å
371	M	83.9	Confident	82.4	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.03	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	145.8	-179.8	-162.7	56.4	73.8	0	0	112	I254 D347 H348 H373 T396 V399 L400 Y449 L452	I254-M371 HydrophobicContact CD1-CE 4.07Å; I254-M371 HydrophobicContact CG2-CE 4.17Å; I254-M371 HydrophobicContact CG2-SD 4.05Å; D347-M371 HydrophobicContact CB-SD 4.3Å; H348-M371 HydrophobicContact CB-CE 4.16Å; H348-M371 HydrophobicContact CB-SD 3.9Å; M371-H373 PolarHBondContact O-N 3.3Å; M371-T396 HydrophobicContact CE-CG2 4.21Å; M371-V399 HydrophobicContact CB-CG1 4.31Å; M371-V399 HydrophobicContact CE-CG1 4.1Å; M371-V399 PolarHBondContact N-O 3.09Å; M371-L400 HydrophobicContact CB-CD2 4.28Å; M371-L400 HydrophobicContact CE-CD2 3.85Å; M371-L400 HydrophobicContact CE-CG 3.96Å; M371-L400 HydrophobicContact CG-CD2 4.01Å; M371-Y449 HydrophobicContact CB-CD1 3.98Å; M371-Y449 HydrophobicContact CB-CD2 4.15Å; M371-Y449 HydrophobicContact CB-CE1 3.84Å; M371-Y449 HydrophobicContact CB-CE2 4.02Å; M371-Y449 HydrophobicContact CB-CG 4.16Å; M371-Y449 HydrophobicContact CG-CD2 4.43Å; M371-Y449 HydrophobicContact CG-CG 4.39Å; M371-L452 HydrophobicContact CG-CD1 3.92Å; M371-L452 HydrophobicContact CG-CD2 4.02Å; M371-L452 HydrophobicContact CG-CG 4.38Å; M371-L452 HydrophobicContact SD-CD2 4.34Å
372	C	77.1	Confident	83.6	Confident	49 Å²	49	40.2 Å²	40.2	33%	0.331	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-7.4	-165.5	-43.5	0	0	0	0	116.5	C451	C372-C451 VanDerWaalsContact CA-SG 3.56Å; C372-C451 HydrophobicContact CB-CB 3.89Å; C372-C451 WeakPolarHBondContact CB-SG 3.33Å; C372-C451 WeakPolarHBondContact SG-CB 3.4Å; C372-C451 CovalentContact SG-SG 2.03Å; C372-C451 PolarHBondContact SG-SG 2.8Å
373	H	79.6	Confident	84.2	Confident	89 Å²	89	37 Å²	37	41%	0.412	20%	0.198	S	C	.	.			trans	-88.9	119.1	-173.4	-174.7	-87.8	0	0	0	111.6	G370 M371 V375 R376 S377	G370-H373 WeakPolarHBondContact O-CB 3.41Å; G370-H373 PolarHBondContact O-N 3.06Å; M371-H373 PolarHBondContact O-N 3.3Å; H373-V375 PolarHBondContact ND1-N 2.93Å; H373-V375 PolarHBondContact O-N 2.98Å; H373-R376 HydrophobicContact CB-CB 4.15Å; H373-R376 WeakPolarHBondContact ND1-CB 3.43Å; H373-R376 PolarHBondContact ND1-N 2.9Å; H373-R376 PolarHBondContact O-N 2.8Å; H373-S377 WeakPolarHBondContact O-CB 3.47Å; H373-S377 PolarHBondContact O-N 3.13Å
374	P	70.8	Confident	83.9	Confident	69 Å²	69	37 Å²	37	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.3	-163.2	24.6	-35.8	0	0	0	115.7	F333	F333-P374 WeakPolarHBondContact CB-O 3.49Å; F333-P374 HydrophobicContact CD2-CB 3.93Å; F333-P374 VanDerWaalsContact CD2-O 3.27Å; F333-P374 WeakPolarHBondContact CD2-O 3.24Å; F333-P374 HydrophobicContact CE2-CB 4.05Å
375	V	74.6	Confident	82.9	Confident	71 Å²	71	37.3 Å²	37.3	43%	0.43	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	3.4	178	-161.7	0	0	0	0	112.2	F333 H373	F333-V375 HydrophobicContact CD2-CG2 4Å; F333-V375 HydrophobicContact CE2-CG2 4.27Å; F333-V375 HydrophobicContact CG-CG2 4.13Å; H373-V375 PolarHBondContact ND1-N 2.93Å; H373-V375 PolarHBondContact O-N 2.98Å
376	R	77.6	Confident	82	Confident	108 Å²	108	33.4 Å²	33.4	41%	0.408	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-9.2	-179.3	-71.3	176.6	59.5	152.6	-0.2	114.6	P367 V368 T369 H373 C378	P367-R376 HydrophobicContact CG-CB 4.47Å; P367-R376 WeakPolarHBondContact CG-O 3.28Å; V368-R376 PolarHBondContact O-NH2 3.34Å; T369-R376 PolarHBondContact O-NE 3.04Å; T369-R376 PolarHBondContact O-NH2 3.38Å; T369-R376 PolarHBondContact OG1-NH2 2.87Å; H373-R376 HydrophobicContact CB-CB 4.15Å; H373-R376 WeakPolarHBondContact ND1-CB 3.43Å; H373-R376 PolarHBondContact ND1-N 2.9Å; H373-R376 PolarHBondContact O-N 2.8Å; R376-C378 VanDerWaalsContact C-SG 3.54Å; R376-C378 PolarHBondContact O-N 2.97Å
377	S	89.4	Confident	80.9	Confident	11 Å²	11	33.9 Å²	33.9	8%	0.077	19%	0.19	C	C	.	.			trans	-82.5	69.3	176.4	-156	0	0	0	0	110.8	D347 H348 A349 G370 H373	D347-S377 WeakPolarHBondContact O-CB 3.14Å; D347-S377 PolarHBondContact O-OG 2.93Å; H348-S377 WeakPolarHBondContact CA-OG 3.16Å; H348-S377 VanDerWaalsContact ND1-C 3.27Å; H348-S377 PolarHBondContact ND1-O 2.73Å; H348-S377 PolarHBondContact ND1-OG 3.26Å; A349-S377 PolarHBondContact N-O 3.41Å; G370-S377 WeakPolarHBondContact O-CA 3.46Å; G370-S377 VanDerWaalsContact O-CB 3.24Å; G370-S377 WeakPolarHBondContact O-CB 3.44Å; G370-S377 PolarHBondContact O-N 2.02Å; H373-S377 WeakPolarHBondContact O-CB 3.47Å; H373-S377 PolarHBondContact O-N 3.13Å
378	C	91.7	Very high	80.7	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	140.8	-170.3	44.2	0	0	0	0	112.1	C329 H348 A349 P367 R376	C329-C378 HydrophobicContact CB-CB 3.86Å; C329-C378 WeakPolarHBondContact CB-SG 3.15Å; C329-C378 WeakPolarHBondContact SG-CB 3.28Å; C329-C378 CovalentContact SG-SG 2.03Å; C329-C378 PolarHBondContact SG-SG 3.23Å; H348-C378 PolarHBondContact CE1-N 3.22Å; A349-C378 CarbonylContact O-C 3.6Å; A349-C378 VanDerWaalsContact O-CA 3.25Å; A349-C378 WeakPolarHBondContact O-CA 3.37Å; P367-C378 WeakPolarHBondContact CD-O 3.44Å; R376-C378 VanDerWaalsContact C-SG 3.54Å; R376-C378 PolarHBondContact O-N 2.97Å
379	T	94.4	Very high	80.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.4	172.7	58	0	0	0	0	111.5	A349 F351 A366 N381 E395 V399	A349-T379 PolarHBondContact O-N 2.05Å; F351-T379 WeakPolarHBondContact CB-O 3.33Å; F351-T379 PolarHBondContact N-O 2.8Å; A366-T379 HydrophobicContact CB-CG2 3.91Å; T379-N381 PolarHBondContact OG1-ND2 2.9Å; T379-N381 VanDerWaalsContact OG1-ND2 3.08Å; T379-E395 HydrophobicContact CG2-CB 3.71Å; T379-V399 HydrophobicContact CG2-CG2 3.94Å
380	L	93.7	Very high	80.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.4	171.9	171.5	58.3	0	0	0	109.5	I316 S324 L325 V328 F351 T353 F357 G364 Y365	I316-L380 HydrophobicContact CD1-CD1 3.71Å; I316-L380 HydrophobicContact CD1-CD2 4.28Å; S324-L380 VanDerWaalsContact CB-CD2 3.43Å; L325-L380 HydrophobicContact CB-CB 4.5Å; L325-L380 HydrophobicContact CD1-CB 3.99Å; V328-L380 HydrophobicContact CG2-CD1 4.47Å; F351-L380 HydrophobicContact CB-CD1 4.49Å; F351-L380 HydrophobicContact CD1-CD1 3.82Å; T353-L380 HydrophobicContact CG2-CD1 3.9Å; F357-L380 HydrophobicContact CB-CD2 4.33Å; F357-L380 HydrophobicContact CD1-CD1 4.31Å; F357-L380 HydrophobicContact CD1-CD2 4.2Å; F357-L380 HydrophobicContact CD1-CG 4.16Å; F357-L380 HydrophobicContact CD2-CD2 3.84Å; F357-L380 HydrophobicContact CD2-CG 4.24Å; F357-L380 HydrophobicContact CE1-CD1 4.25Å; F357-L380 HydrophobicContact CE1-CD2 4.49Å; F357-L380 HydrophobicContact CE1-CG 4.01Å; F357-L380 HydrophobicContact CE2-CD2 4.17Å; F357-L380 HydrophobicContact CE2-CG 4.1Å; F357-L380 HydrophobicContact CG-CD2 3.87Å; F357-L380 HydrophobicContact CG-CG 4.29Å; F357-L380 HydrophobicContact CZ-CD2 4.48Å; F357-L380 HydrophobicContact CZ-CG 3.98Å; G364-L380 CarbonylContact C-O 3.44Å; G364-L380 WeakPolarHBondContact CA-O 3.25Å; Y365-L380 PolarHBondContact N-O 2.65Å; Y365-L380 PolarHBondContact O-N 3.4Å
381	N	93.4	Very high	81.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.9	-170.6	-47	-94.8	0	0	0	111.1	F351 L352 T353 T379 V392 E395	F351-N381 PolarHBondContact O-N 3.2Å; F351-N381 PolarHBondContact O-ND2 3.32Å; F351-N381 VanDerWaalsContact O-ND2 3.15Å; L352-N381 HydrophobicContact CD2-CB 3.93Å; T353-N381 PolarHBondContact N-O 3.21Å; T379-N381 PolarHBondContact OG1-ND2 2.9Å; T379-N381 VanDerWaalsContact OG1-ND2 3.08Å; N381-V392 HydrophobicContact CB-CG2 3.89Å; N381-V392 WeakPolarHBondContact OD1-CA 3.39Å; N381-E395 WeakPolarHBondContact OD1-CG 3.36Å
382	H	88.7	Confident	81.7	Confident	40 Å²	40	27 Å²	27	19%	0.185	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.2	172.7	-164.8	69.8	0	0	0	109.9	T353 R354 Q355 F357 Q363 S388	T353-H382 CarbonylContact O-C 3.56Å; T353-H382 VanDerWaalsContact O-CA 3.32Å; T353-H382 WeakPolarHBondContact O-CA 3.44Å; T353-H382 PolarHBondContact O-ND1 2.69Å; R354-H382 PolarHBondContact O-CE1 3.02Å; Q355-H382 PolarHBondContact O-ND1 3.02Å; F357-H382 HydrophobicContact CE1-CB 3.95Å; F357-H382 HydrophobicContact CZ-CB 4.34Å; Q363-H382 HydrophobicContact CB-CB 4.42Å; Q363-H382 WeakPolarHBondContact O-CA 2.98Å; Q363-H382 WeakPolarHBondContact O-CB 3.34Å; Q363-H382 PolarHBondContact O-N 2.78Å; H382-S388 VanDerWaalsContact O-CB 3.3Å; H382-S388 WeakPolarHBondContact O-CB 3.31Å
383	E	86.8	Confident	82.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.			trans	-93.2	112.3	-179.6	-170.1	-71.9	107	0	0	108.7	V264 H268 Y276 T353 R354 G385	V264-E383 HydrophobicContact CG1-CG 4.02Å; V264-E383 HydrophobicContact CG2-CB 3.94Å; V264-E383 HydrophobicContact CG2-CG 4.08Å; H268-E383 IonicContact CD2-OE2 3.47Å; H268-E383 IonicContact NE2-OE1 3.49Å; H268-E383 IonicContact NE2-OE2 3.68Å; H268-E383 PolarHBondContact NE2-OE2 3.42Å; Y276-E383 HydrophobicContact CE1-CG 3.86Å; Y276-E383 PolarHBondContact OH-OE1 3.2Å; T353-E383 PolarHBondContact O-N 2.84Å; R354-E383 WeakPolarHBondContact CD-OE2 3.35Å; R354-E383 HydrophobicContact CG-CB 4.18Å; R354-E383 WeakPolarHBondContact CG-OE2 3.34Å; R354-E383 IonicContact CZ-OE2 3.74Å; R354-E383 IonicContact NE-OE2 2.66Å; R354-E383 PolarHBondContact NH1-O 3.15Å; R354-E383 IonicContact NH1-OE1 2.72Å; R354-E383 PolarHBondContact NH1-OE1 2.94Å; R354-E383 VanDerWaalsContact NH1-OE1 3.07Å; R354-E383 IonicContact NH1-OE2 2.69Å; R354-E383 PolarHBondContact NH1-OE2 2.85Å; E383-G385 PolarHBondContact OE1-N 2.84Å
384	D	74.6	Confident	82.7	Confident	83 Å²	83	20.9 Å²	20.9	44%	0.444	11%	0.114	S	C	.	.			trans	-139.1	47.7	177.2	-160.3	29.5	0	0	0	112.7	R354 S387	R354-D384 IonicContact CZ-OD1 3.21Å; R354-D384 IonicContact NH2-OD1 3.95Å; R354-D384 PolarHBondContact NH2-OD1 3.38Å; D384-S387 PolarHBondContact O-OG 2.04Å
385	G	66.3	Low	83.8	Confident	13 Å²	13	18.3 Å²	18.3	13%	0.134	10%	0.096	C	C	.	.	S	Bend	trans	88.9	-177.6	-173.4	0	0	0	0	0	113.3	Y276 E383 S387 S388	Y276-G385 WeakPolarHBondContact OH-CA 3.02Å; Y276-G385 PolarHBondContact OH-N 2.93Å; Y276-G385 PolarHBondContact OH-O 2.94Å; E383-G385 PolarHBondContact OE1-N 2.84Å; G385-S387 PolarHBondContact O-N 2.93Å; G385-S387 VanDerWaalsContact O-N 3.09Å; G385-S388 WeakPolarHBondContact O-CB 3.47Å; G385-S388 PolarHBondContact O-N 2.99Å; G385-S388 PolarHBondContact O-OG 2.95Å
386	F	70.4	Confident	84.7	Confident	2 Å²	2	15 Å²	15	1%	0.009	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-16	-173.8	-66.6	-47.7	0	0	0	115.1	A163 F174 E176 Y276 T279 L280 I283 S388 A389	A163-F386 HydrophobicContact CB-CE2 3.92Å; A163-F386 HydrophobicContact CB-CZ 3.77Å; F174-F386 HydrophobicContact CD1-CB 3.5Å; F174-F386 HydrophobicContact CE1-CB 3.79Å; F174-F386 HydrophobicContact CG-CB 4.36Å; E176-F386 HydrophobicContact CB-CE2 4.17Å; Y276-F386 HydrophobicContact CD2-CD1 4.21Å; Y276-F386 AromaticContact CD2-CE1 3.27Å; Y276-F386 HydrophobicContact CD2-CE1 3.27Å; Y276-F386 AromaticContact CD2-CZ 3.45Å; Y276-F386 HydrophobicContact CD2-CZ 3.45Å; Y276-F386 VanDerWaalsContact CD2-CZ 3.45Å; Y276-F386 AromaticContact CE2-CD1 3.62Å; Y276-F386 HydrophobicContact CE2-CD1 3.62Å; Y276-F386 AromaticContact CE2-CE1 3.13Å; Y276-F386 HydrophobicContact CE2-CE1 3.13Å; Y276-F386 HydrophobicContact CE2-CE2 4.36Å; Y276-F386 HydrophobicContact CE2-CG 4.37Å; Y276-F386 AromaticContact CE2-CZ 3.56Å; Y276-F386 HydrophobicContact CE2-CZ 3.56Å; Y276-F386 HydrophobicContact CG-CE1 4.31Å; T279-F386 VanDerWaalsContact CB-CE1 3.48Å; T279-F386 HydrophobicContact CG2-CD1 3.97Å; T279-F386 HydrophobicContact CG2-CE1 3.45Å; T279-F386 VanDerWaalsContact CG2-CE1 3.45Å; T279-F386 HydrophobicContact CG2-CE2 4.32Å; T279-F386 HydrophobicContact CG2-CZ 3.66Å; L280-F386 HydrophobicContact CD1-CD1 4.11Å; I283-F386 HydrophobicContact CD1-CB 3.78Å; I283-F386 HydrophobicContact CD1-CD1 3.86Å; I283-F386 HydrophobicContact CD1-CG 3.94Å; F386-S388 PolarHBondContact O-N 2.84Å; F386-A389 WeakPolarHBondContact O-CB 3.18Å; F386-A389 PolarHBondContact O-N 3.08Å
387	S	68.7	Low	85.3	Confident	22 Å²	22	9.9 Å²	9.9	15%	0.154	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-32.7	166.4	47.4	0	0	0	0	113	D384 G385 A389 F390	D384-S387 PolarHBondContact O-OG 2.04Å; G385-S387 PolarHBondContact O-N 2.93Å; G385-S387 VanDerWaalsContact O-N 3.09Å; S387-A389 PolarHBondContact O-N 2.82Å; S387-A389 VanDerWaalsContact O-N 3.15Å; S387-F390 PolarHBondContact O-N 2.93Å; S387-F390 VanDerWaalsContact O-N 3.12Å
388	S	78.6	Confident	85.1	Confident	1 Å²	1	10.1 Å²	10.1	1%	0.007	6%	0.056	C	C	.	.	H	α-helix	trans	-64.6	-14.6	178.9	62.1	0	0	0	0	113.9	L280 H382 G385 F386 F390 V391 V392	L280-S388 WeakPolarHBondContact CD1-OG 3.47Å; H382-S388 VanDerWaalsContact O-CB 3.3Å; H382-S388 WeakPolarHBondContact O-CB 3.31Å; G385-S388 WeakPolarHBondContact O-CB 3.47Å; G385-S388 PolarHBondContact O-N 2.99Å; G385-S388 PolarHBondContact O-OG 2.95Å; F386-S388 PolarHBondContact O-N 2.84Å; S388-F390 PolarHBondContact O-N 2.96Å; S388-V391 WeakPolarHBondContact O-CB 3.46Å; S388-V391 PolarHBondContact O-N 2.95Å; S388-V391 VanDerWaalsContact O-N 3.09Å; S388-V392 WeakPolarHBondContact O-CG2 3.37Å; S388-V392 PolarHBondContact O-N 2.87Å
389	A	80.7	Confident	85.1	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.7	-30.6	171.3	0	0	0	0	0	112.6	L280 I283 V284 I287 F386 S387 A393	L280-A389 HydrophobicContact CD1-CB 3.9Å; L280-A389 HydrophobicContact CG-CB 4.35Å; I283-A389 HydrophobicContact CB-CB 3.71Å; I283-A389 HydrophobicContact CG2-CB 3.43Å; I283-A389 VanDerWaalsContact CG2-CB 3.43Å; V284-A389 HydrophobicContact CG2-CB 3.94Å; I287-A389 HydrophobicContact CD1-CB 4.44Å; F386-A389 WeakPolarHBondContact O-CB 3.18Å; F386-A389 PolarHBondContact O-N 3.08Å; S387-A389 PolarHBondContact O-N 2.82Å; S387-A389 VanDerWaalsContact O-N 3.15Å; A389-A393 WeakPolarHBondContact O-CB 3.39Å; A389-A393 PolarHBondContact O-N 3.1Å
390	F	81.3	Confident	84.9	Confident	5 Å²	5	10.1 Å²	10.1	2%	0.022	6%	0.056	C	C	.	.	H	α-helix	trans	-68.9	-36.4	173.3	-71.5	-69.5	0	0	0	112.5	M165 F174 I287 S387 S388 A393 H394 V425 Y432	M165-F390 HydrophobicContact SD-CE2 3.93Å; M165-F390 HydrophobicContact SD-CZ 3.64Å; F174-F390 HydrophobicContact CZ-CE2 4.08Å; I287-F390 HydrophobicContact CD1-CD1 3.6Å; I287-F390 HydrophobicContact CD1-CE1 3.67Å; I287-F390 HydrophobicContact CD1-CG 4.22Å; I287-F390 HydrophobicContact CD1-CZ 4.38Å; I287-F390 HydrophobicContact CG1-CD1 4.32Å; I287-F390 HydrophobicContact CG1-CE1 3.99Å; S387-F390 PolarHBondContact O-N 2.93Å; S387-F390 VanDerWaalsContact O-N 3.12Å; S388-F390 PolarHBondContact O-N 2.96Å; F390-A393 PolarHBondContact O-N 3.46Å; F390-H394 VanDerWaalsContact O-CB 3.25Å; F390-H394 WeakPolarHBondContact O-CB 3.44Å; F390-H394 PolarHBondContact O-N 2.8Å; F390-V425 HydrophobicContact CB-CG1 4.38Å; F390-Y432 HydrophobicContact CD1-CG 4.49Å; F390-Y432 AromaticContact CE1-CD1 3.3Å; F390-Y432 HydrophobicContact CE1-CD1 3.3Å; F390-Y432 AromaticContact CE1-CD2 3.95Å; F390-Y432 HydrophobicContact CE1-CD2 3.95Å; F390-Y432 AromaticContact CE1-CE1 3.53Å; F390-Y432 HydrophobicContact CE1-CE1 3.53Å; F390-Y432 HydrophobicContact CE1-CE2 4.18Å; F390-Y432 AromaticContact CE1-CG 3.51Å; F390-Y432 HydrophobicContact CE1-CG 3.51Å; F390-Y432 AromaticContact CE1-CZ 3.98Å; F390-Y432 AromaticContact CZ-CD1 3.42Å; F390-Y432 HydrophobicContact CZ-CD1 3.42Å; F390-Y432 VanDerWaalsContact CZ-CD1 3.42Å; F390-Y432 AromaticContact CZ-CE1 3.5Å; F390-Y432 HydrophobicContact CZ-CE1 3.5Å; F390-Y432 VanDerWaalsContact CZ-CE1 3.5Å; F390-Y432 HydrophobicContact CZ-CG 4.12Å
391	V	87	Confident	84.5	Confident	4 Å²	4	10.2 Å²	10.2	2%	0.024	6%	0.057	C	C	.	.	H	α-helix	trans	-65.6	-50.7	173.9	-177.4	0	0	0	0	109.3	Q363 S388 A393 H394 E395	Q363-V391 HydrophobicContact CB-CG1 4.12Å; Q363-V391 HydrophobicContact CB-CG2 3.82Å; S388-V391 WeakPolarHBondContact O-CB 3.46Å; S388-V391 PolarHBondContact O-N 2.95Å; S388-V391 VanDerWaalsContact O-N 3.09Å; V391-A393 VanDerWaalsContact C-N 3.25Å; V391-A393 PolarHBondContact O-N 2.81Å; V391-H394 WeakPolarHBondContact O-CB 3.39Å; V391-H394 PolarHBondContact O-N 3.32Å; V391-H394 VanDerWaalsContact O-N 3.09Å; V391-E395 HydrophobicContact CG1-CG 4.04Å; V391-E395 WeakPolarHBondContact O-CB 3.4Å; V391-E395 WeakPolarHBondContact O-CG 3.24Å; V391-E395 PolarHBondContact O-N 3.14Å
392	V	90.9	Very high	84.3	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-56	-40.3	176.6	176.5	0	0	0	0	111.8	V284 I350 L352 N381 S388 T396	V284-V392 HydrophobicContact CG1-CG1 4.17Å; V284-V392 HydrophobicContact CG2-CB 3.82Å; V284-V392 HydrophobicContact CG2-CG1 3.65Å; I350-V392 HydrophobicContact CD1-CG1 3.66Å; I350-V392 HydrophobicContact CG1-CG1 4.37Å; I350-V392 HydrophobicContact CG2-CG1 3.93Å; I350-V392 HydrophobicContact CG2-CG2 4.41Å; L352-V392 HydrophobicContact CD2-CG2 3.86Å; N381-V392 HydrophobicContact CB-CG2 3.89Å; N381-V392 WeakPolarHBondContact OD1-CA 3.39Å; S388-V392 WeakPolarHBondContact O-CG2 3.37Å; S388-V392 PolarHBondContact O-N 2.87Å; V392-T396 VanDerWaalsContact O-CB 3.28Å; V392-T396 WeakPolarHBondContact O-CB 2.98Å; V392-T396 PolarHBondContact O-N 2.64Å; V392-T396 PolarHBondContact O-OG1 3.3Å
393	A	89.9	Confident	84.1	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.2	-44.9	176.1	0	0	0	0	0	112.9	I287 Y288 A389 F390 V391 T396 G397	I287-A393 HydrophobicContact CB-CB 4.13Å; I287-A393 HydrophobicContact CD1-CB 3.94Å; I287-A393 HydrophobicContact CG2-CB 3.69Å; Y288-A393 HydrophobicContact CE2-CB 4.09Å; Y288-A393 PolarHBondContact OH-O 2.82Å; A389-A393 WeakPolarHBondContact O-CB 3.39Å; A389-A393 PolarHBondContact O-N 3.1Å; F390-A393 PolarHBondContact O-N 3.46Å; V391-A393 VanDerWaalsContact C-N 3.25Å; V391-A393 PolarHBondContact O-N 2.81Å; A393-T396 PolarHBondContact O-N 2.78Å; A393-G397 PolarHBondContact O-N 3.19Å
394	H	88.3	Confident	84.2	Confident	8 Å²	8	15.4 Å²	15.4	4%	0.037	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-51.4	177.2	178	103.8	0	0	0	112.4	F390 V391 T396 G397 H398 H404 V420 M421 A422	F390-H394 VanDerWaalsContact O-CB 3.25Å; F390-H394 WeakPolarHBondContact O-CB 3.44Å; F390-H394 PolarHBondContact O-N 2.8Å; V391-H394 WeakPolarHBondContact O-CB 3.39Å; V391-H394 PolarHBondContact O-N 3.32Å; V391-H394 VanDerWaalsContact O-N 3.09Å; H394-T396 VanDerWaalsContact C-N 3.31Å; H394-T396 PolarHBondContact O-N 3.39Å; H394-G397 WeakPolarHBondContact O-CA 3.25Å; H394-G397 PolarHBondContact O-N 3.2Å; H394-H398 AromaticContact NE2-NE2 3.73Å; H394-H398 PolarHBondContact O-N 2.98Å; H394-H398 VanDerWaalsContact O-N 3.1Å; H394-H404 AromaticContact CE1-CD2 3.72Å; H394-H404 AromaticContact CE1-NE2 3.63Å; H394-H404 AromaticContact NE2-CD2 3.9Å; H394-H404 AromaticContact NE2-NE2 3.38Å; H394-H404 PolarHBondContact NE2-NE2 3.31Å; H394-V420 HydrophobicContact CB-CG1 4.47Å; H394-V420 PolarHBondContact ND1-O 3.37Å; H394-M421 HydrophobicContact CB-SD 4.49Å; H394-A422 PolarHBondContact CE1-O 3.02Å
395	E	92.6	Very high	84.7	Confident	16 Å²	16	11.5 Å²	11.5	8%	0.075	6%	0.06	C	C	.	.	H	α-helix	trans	-61.7	-37.6	177	-64.5	-52	150.8	0	0	111.8	G364 Y365 A366 T379 N381 V391 G397 H398 V399	G364-E395 VanDerWaalsContact C-CD 3.47Å; G364-E395 WeakPolarHBondContact CA-OE1 3Å; Y365-E395 VanDerWaalsContact CA-OE2 3.31Å; Y365-E395 WeakPolarHBondContact CA-OE2 2.92Å; Y365-E395 VanDerWaalsContact N-CD 3.32Å; Y365-E395 PolarHBondContact N-OE1 3.09Å; Y365-E395 PolarHBondContact N-OE2 3.44Å; A366-E395 HydrophobicContact CB-CB 3.93Å; A366-E395 WeakPolarHBondContact CB-O 3.38Å; A366-E395 WeakPolarHBondContact CB-OE2 3.37Å; A366-E395 PolarHBondContact N-OE2 3.2Å; T379-E395 HydrophobicContact CG2-CB 3.71Å; N381-E395 WeakPolarHBondContact OD1-CG 3.36Å; V391-E395 HydrophobicContact CG1-CG 4.04Å; V391-E395 WeakPolarHBondContact O-CB 3.4Å; V391-E395 WeakPolarHBondContact O-CG 3.24Å; V391-E395 PolarHBondContact O-N 3.14Å; E395-G397 VanDerWaalsContact C-N 3.3Å; E395-G397 PolarHBondContact O-N 3.08Å; E395-H398 PolarHBondContact O-N 2.82Å; E395-V399 PolarHBondContact O-N 3Å
396	T	93.6	Very high	85.1	Confident	2 Å²	2	12.7 Å²	12.7	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-67.5	-31.8	172.8	-54.5	0	0	0	0	111.6	Y288 M371 V392 A393 H394 V399 L400	Y288-T396 HydrophobicContact CE2-CG2 4.28Å; Y288-T396 WeakPolarHBondContact OH-CB 3.36Å; M371-T396 HydrophobicContact CE-CG2 4.21Å; V392-T396 VanDerWaalsContact O-CB 3.28Å; V392-T396 WeakPolarHBondContact O-CB 2.98Å; V392-T396 PolarHBondContact O-N 2.64Å; V392-T396 PolarHBondContact O-OG1 3.3Å; A393-T396 PolarHBondContact O-N 2.78Å; H394-T396 VanDerWaalsContact C-N 3.31Å; H394-T396 PolarHBondContact O-N 3.39Å; T396-V399 PolarHBondContact O-N 3.31Å; T396-V399 VanDerWaalsContact O-N 3.14Å; T396-L400 PolarHBondContact O-N 2.97Å
397	G	89.6	Confident	85.2	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.7	-41.5	175.8	0	0	0	0	0	112.1	Y288 A393 H394 E395 V399 L400 G401 M402	Y288-G397 WeakPolarHBondContact OH-CA 3.37Å; Y288-G397 PolarHBondContact OH-N 2.94Å; A393-G397 PolarHBondContact O-N 3.19Å; H394-G397 WeakPolarHBondContact O-CA 3.25Å; H394-G397 PolarHBondContact O-N 3.2Å; E395-G397 VanDerWaalsContact C-N 3.3Å; E395-G397 PolarHBondContact O-N 3.08Å; G397-V399 VanDerWaalsContact C-N 3.34Å; G397-V399 PolarHBondContact O-N 3.18Å; G397-L400 PolarHBondContact O-N 2.78Å; G397-G401 PolarHBondContact O-N 2.97Å; G397-G401 VanDerWaalsContact O-N 3.12Å; G397-M402 WeakPolarHBondContact O-CB 3.25Å; G397-M402 WeakPolarHBondContact O-CG 3.42Å; G397-M402 PolarHBondContact O-N 2.88Å
398	H	86.6	Confident	85.1	Confident	16 Å²	16	21.1 Å²	21.1	7%	0.074	13%	0.133	C	C	.	.	H	α-helix	trans	-58	-43.4	169.4	-75.4	-33.9	0	0	0	112.4	A366 V368 T369 H394 E395 L400 G401 M402 H404 M421	A366-H398 HydrophobicContact CB-CB 4.31Å; V368-H398 CarbonylContact C-O 3.36Å; V368-H398 WeakPolarHBondContact CA-O 3.05Å; V368-H398 HydrophobicContact CG2-CB 4.2Å; T369-H398 PolarHBondContact N-O 2.8Å; H394-H398 AromaticContact NE2-NE2 3.73Å; H394-H398 PolarHBondContact O-N 2.98Å; H394-H398 VanDerWaalsContact O-N 3.1Å; E395-H398 PolarHBondContact O-N 2.82Å; H398-L400 VanDerWaalsContact C-N 3.31Å; H398-L400 PolarHBondContact O-N 3.25Å; H398-G401 WeakPolarHBondContact O-CA 3.3Å; H398-G401 PolarHBondContact O-N 3.49Å; H398-M402 PolarHBondContact ND1-O 3.43Å; H398-H404 AromaticContact CE1-CD2 3.62Å; H398-H404 AromaticContact CE1-NE2 3.7Å; H398-H404 AromaticContact NE2-CD2 3.81Å; H398-H404 AromaticContact NE2-NE2 3.41Å; H398-H404 PolarHBondContact NE2-NE2 3.32Å; H398-M421 VanDerWaalsContact CE1-CE 3.45Å; H398-M421 WeakPolarHBondContact CE1-CE 3.43Å; H398-M421 WeakPolarHBondContact ND1-CE 3.41Å
399	V	91.4	Very high	85.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-30.6	-179.9	179.3	0	0	0	0	112.5	A366 P367 T369 G370 M371 T379 E395 T396 G397 G401	A366-V399 HydrophobicContact CB-CG2 4.06Å; P367-V399 HydrophobicContact CG-CG2 4.19Å; T369-V399 CarbonylContact C-O 3.5Å; T369-V399 WeakPolarHBondContact CA-O 3.31Å; G370-V399 PolarHBondContact N-O 3.35Å; M371-V399 HydrophobicContact CB-CG1 4.31Å; M371-V399 HydrophobicContact CE-CG1 4.1Å; M371-V399 PolarHBondContact N-O 3.09Å; T379-V399 HydrophobicContact CG2-CG2 3.94Å; E395-V399 PolarHBondContact O-N 3Å; T396-V399 PolarHBondContact O-N 3.31Å; T396-V399 VanDerWaalsContact O-N 3.14Å; G397-V399 VanDerWaalsContact C-N 3.34Å; G397-V399 PolarHBondContact O-N 3.18Å; V399-G401 VanDerWaalsContact C-N 3.25Å; V399-G401 PolarHBondContact O-N 3Å
400	L	90.6	Very high	85.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-72.4	-13.5	168.3	-72.9	166.8	0	0	0	113.7	I254 Y288 I297 M371 T396 G397 H398 M402 L442 Y449 L452	I254-L400 HydrophobicContact CD1-CD1 4.43Å; I254-L400 HydrophobicContact CD1-CD2 4.43Å; Y288-L400 HydrophobicContact CE1-CD1 3.56Å; I297-L400 HydrophobicContact CD1-CD1 4.25Å; M371-L400 HydrophobicContact CB-CD2 4.28Å; M371-L400 HydrophobicContact CE-CD2 3.85Å; M371-L400 HydrophobicContact CE-CG 3.96Å; M371-L400 HydrophobicContact CG-CD2 4.01Å; T396-L400 PolarHBondContact O-N 2.97Å; G397-L400 PolarHBondContact O-N 2.78Å; H398-L400 VanDerWaalsContact C-N 3.31Å; H398-L400 PolarHBondContact O-N 3.25Å; L400-M402 HydrophobicContact CB-CE 4.38Å; L400-M402 HydrophobicContact CD1-CE 4.12Å; L400-L442 HydrophobicContact CB-CD1 3.99Å; L400-L442 HydrophobicContact CD1-CD1 4.16Å; L400-L442 HydrophobicContact CD2-CD1 4.27Å; L400-L442 HydrophobicContact CG-CD1 4.38Å; L400-Y449 HydrophobicContact CD2-CD2 4.41Å; L400-Y449 HydrophobicContact CD2-CE2 4.32Å; L400-Y449 WeakPolarHBondContact O-CE2 3.36Å; L400-Y449 PolarHBondContact O-OH 3.4Å; L400-L452 HydrophobicContact CD2-CD1 4.26Å
401	G	85.3	Confident	85.1	Confident	2 Å²	2	34.2 Å²	34.2	2%	0.021	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	100	23.4	175.5	0	0	0	0	0	115.8	G397 H398 V399	G397-G401 PolarHBondContact O-N 2.97Å; G397-G401 VanDerWaalsContact O-N 3.12Å; H398-G401 WeakPolarHBondContact O-CA 3.3Å; H398-G401 PolarHBondContact O-N 3.49Å; V399-G401 VanDerWaalsContact C-N 3.25Å; V399-G401 PolarHBondContact O-N 3Å
402	M	89.2	Confident	84.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.			trans	-85.1	140.1	170.2	-50.9	178.1	-151.6	0	0	111	Y288 L293 G397 H398 L400 M421 W434 L442	Y288-M402 HydrophobicContact CE1-CE 4.44Å; L293-M402 HydrophobicContact CD1-CE 3.99Å; G397-M402 WeakPolarHBondContact O-CB 3.25Å; G397-M402 WeakPolarHBondContact O-CG 3.42Å; G397-M402 PolarHBondContact O-N 2.88Å; H398-M402 PolarHBondContact ND1-O 3.43Å; L400-M402 HydrophobicContact CB-CE 4.38Å; L400-M402 HydrophobicContact CD1-CE 4.12Å; M402-M421 HydrophobicContact CB-CE 4.2Å; M402-M421 HydrophobicContact CB-CG 4.2Å; M402-M421 HydrophobicContact CB-SD 4.42Å; M402-M421 HydrophobicContact SD-CG 4.03Å; M402-M421 HydrophobicContact SD-SD 4.28Å; M402-W434 HydrophobicContact CE-CE3 4.24Å; M402-W434 HydrophobicContact CE-CH2 4.19Å; M402-W434 HydrophobicContact CE-CZ3 3.8Å; M402-W434 HydrophobicContact SD-CE3 3.74Å; M402-W434 HydrophobicContact SD-CH2 4.35Å; M402-W434 HydrophobicContact SD-CZ3 3.43Å; M402-W434 WeakPolarHBondContact SD-CZ3 3.35Å; M402-L442 HydrophobicContact CE-CB 4.17Å; M402-L442 HydrophobicContact CE-CD1 4Å; M402-L442 HydrophobicContact CE-CD2 4.25Å; M402-L442 HydrophobicContact CE-CG 4.37Å
403	E	84.8	Confident	83.6	Confident	105 Å²	105	41.5 Å²	41.5	49%	0.491	23%	0.23	S	C	.	.			trans	-98.5	176.2	173.6	-67.8	179.4	-171.1	0	0	111	E441	E403-E441 PolarHBondContact N-OE2 3.25Å
404	H	88.3	Confident	82.8	Confident	44 Å²	44	43.8 Å²	43.8	20%	0.204	24%	0.241	C	C	.	.			trans	-76.7	135.3	-179.7	-78.5	151.2	0	0	0	112.7	H394 H398 G406 Q407 M421 P423	H394-H404 AromaticContact CE1-CD2 3.72Å; H394-H404 AromaticContact CE1-NE2 3.63Å; H394-H404 AromaticContact NE2-CD2 3.9Å; H394-H404 AromaticContact NE2-NE2 3.38Å; H394-H404 PolarHBondContact NE2-NE2 3.31Å; H398-H404 AromaticContact CE1-CD2 3.62Å; H398-H404 AromaticContact CE1-NE2 3.7Å; H398-H404 AromaticContact NE2-CD2 3.81Å; H398-H404 AromaticContact NE2-NE2 3.41Å; H398-H404 PolarHBondContact NE2-NE2 3.32Å; H404-G406 PolarHBondContact O-N 3.06Å; H404-Q407 HydrophobicContact CB-CB 3.89Å; H404-Q407 HydrophobicContact CB-CG 4.08Å; H404-Q407 PolarHBondContact ND1-OE1 2.72Å; H404-Q407 PolarHBondContact O-N 3.02Å; H404-Q407 VanDerWaalsContact O-N 3.16Å; H404-M421 WeakPolarHBondContact CA-O 3.41Å; H404-P423 HydrophobicContact CB-CB 3.93Å; H404-P423 HydrophobicContact CB-CG 4.41Å
405	D	83.9	Confident	82	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	133	175.3	-73.6	-46.5	0	0	0	112.8	Q407 N409 C411 T415 S419 M421 P423 S435	D405-Q407 PolarHBondContact O-N 2.86Å; D405-N409 PolarHBondContact OD1-ND2 2.87Å; D405-C411 HydrophobicContact CB-CB 4.32Å; D405-C411 WeakPolarHBondContact OD1-CB 3.4Å; D405-T415 HydrophobicContact CB-CG2 3.5Å; D405-T415 VanDerWaalsContact O-CG2 3.25Å; D405-T415 WeakPolarHBondContact O-CG2 3.23Å; D405-S419 VanDerWaalsContact OD2-CB 3.22Å; D405-S419 WeakPolarHBondContact OD2-CB 3.12Å; D405-S419 PolarHBondContact OD2-OG 2.99Å; D405-M421 PolarHBondContact N-O 2.98Å; D405-P423 VanDerWaalsContact O-CD 3.25Å; D405-P423 WeakPolarHBondContact O-CD 3.36Å; D405-S435 VanDerWaalsContact CG-CB 3.47Å; D405-S435 VanDerWaalsContact OD1-CB 3.24Å; D405-S435 WeakPolarHBondContact OD1-CB 3.48Å; D405-S435 PolarHBondContact OD1-OG 3.38Å; D405-S435 WeakPolarHBondContact OD2-CB 3.47Å; D405-S435 PolarHBondContact OD2-OG 2.96Å
406	G	76	Confident	80.6	Confident	38 Å²	38	47.3 Å²	47.3	39%	0.392	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	-9.1	-175.5	0	0	0	0	0	115.4	H404 G408 N409 G412	H404-G406 PolarHBondContact O-N 3.06Å; G406-G408 PolarHBondContact O-N 2.77Å; G406-N409 PolarHBondContact N-OD1 3.37Å; G406-G412 VanDerWaalsContact CA-CA 3.46Å
407	Q	72.1	Confident	79.1	Confident	114 Å²	114	52.7 Å²	52.7	53%	0.533	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	81	173.5	-65.5	-172.3	-13.5	0	0	109.9	H404 D405 N409 P423	H404-Q407 HydrophobicContact CB-CB 3.89Å; H404-Q407 HydrophobicContact CB-CG 4.08Å; H404-Q407 PolarHBondContact ND1-OE1 2.72Å; H404-Q407 PolarHBondContact O-N 3.02Å; H404-Q407 VanDerWaalsContact O-N 3.16Å; D405-Q407 PolarHBondContact O-N 2.86Å; Q407-N409 VanDerWaalsContact C-N 3.33Å; Q407-N409 PolarHBondContact O-N 3.09Å; Q407-P423 HydrophobicContact CG-CB 4.21Å; Q407-P423 HydrophobicContact CG-CG 4.08Å; Q407-P423 VanDerWaalsContact NE2-CB 3.26Å
408	G	65.9	Low	78	Confident	87 Å²	87	53.3 Å²	53.3	90%	0.897	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	-27.1	179.8	0	0	0	0	0	114.4	G406	G406-G408 PolarHBondContact O-N 2.77Å
409	N	80.2	Confident	77.8	Confident	27 Å²	27	52.9 Å²	52.9	14%	0.144	30%	0.302	C	S	.	.	S	Bend	trans	-89.6	175.2	170.8	84.5	22.8	0	0	0	112.4	D405 G406 Q407 C411 C437 E441	D405-N409 PolarHBondContact OD1-ND2 2.87Å; G406-N409 PolarHBondContact N-OD1 3.37Å; Q407-N409 VanDerWaalsContact C-N 3.33Å; Q407-N409 PolarHBondContact O-N 3.09Å; N409-C411 PolarHBondContact OD1-N 3.01Å; N409-C437 HydrophobicContact CB-CB 4.23Å; N409-C437 VanDerWaalsContact CG-SG 3.52Å; N409-C437 WeakPolarHBondContact ND2-CB 3.47Å; N409-E441 PolarHBondContact ND2-OE1 3.2Å
410	R	79.2	Confident	77.5	Confident	245 Å²	245	53.2 Å²	53.2	93%	0.925	30%	0.304	S	S	*	.	S	Bend	trans	-92	-2.4	-175.5	-67.1	-173	-176.5	178.9	2.1	114.7	G412	R410-G412 PolarHBondContact O-N 3.29Å
411	C	81.5	Confident	77.4	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.061	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	25.7	-172.6	-61.4	0	0	0	0	113.2	D405 N409 D413 E414 T415 C437	D405-C411 HydrophobicContact CB-CB 4.32Å; D405-C411 WeakPolarHBondContact OD1-CB 3.4Å; N409-C411 PolarHBondContact OD1-N 3.01Å; C411-D413 VanDerWaalsContact C-N 3.27Å; C411-D413 PolarHBondContact O-N 3.43Å; C411-E414 HydrophobicContact CB-CB 4.28Å; C411-E414 HydrophobicContact CB-CG 4.47Å; C411-E414 WeakPolarHBondContact O-CB 3.25Å; C411-E414 PolarHBondContact O-N 2.04Å; C411-T415 PolarHBondContact O-N 3.17Å; C411-C437 HydrophobicContact CB-CB 3.85Å; C411-C437 WeakPolarHBondContact CB-SG 3.44Å; C411-C437 PolarHBondContact N-SG 3.48Å; C411-C437 VanDerWaalsContact N-SG 3.44Å; C411-C437 WeakPolarHBondContact SG-CB 3.44Å; C411-C437 PolarHBondContact SG-N 3.32Å; C411-C437 CovalentContact SG-SG 2.04Å; C411-C437 PolarHBondContact SG-SG 3.45Å
412	G	73.1	Confident	77.3	Confident	25 Å²	25	53.5 Å²	53.5	26%	0.258	31%	0.306	S	S	.	.	H	α-helix	trans	-58.3	-36.3	177.5	0	0	0	0	0	113.3	G406 R410 E414 T415	G406-G412 VanDerWaalsContact CA-CA 3.46Å; R410-G412 PolarHBondContact O-N 3.29Å; G412-E414 VanDerWaalsContact C-N 3.28Å; G412-E414 PolarHBondContact O-N 3.43Å; G412-T415 WeakPolarHBondContact O-CB 3.39Å; G412-T415 PolarHBondContact O-N 3.33Å; G412-T415 PolarHBondContact O-OG1 2.79Å
413	D	73.5	Confident	76.7	Confident	132 Å²	132	55.9 Å²	55.9	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-68.3	-26.4	175.7	-63.7	-31.4	0	0	0	112.6	C411	C411-D413 VanDerWaalsContact C-N 3.27Å; C411-D413 PolarHBondContact O-N 3.43Å
414	E	73.3	Confident	75.8	Confident	48 Å²	48	56.2 Å²	56.2	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-78.6	-20.4	178.7	-63.1	176	-169.3	0	0	111.9	C411 G412 A416 M417 G418 S419 S435 M436	C411-E414 HydrophobicContact CB-CB 4.28Å; C411-E414 HydrophobicContact CB-CG 4.47Å; C411-E414 WeakPolarHBondContact O-CB 3.25Å; C411-E414 PolarHBondContact O-N 2.04Å; G412-E414 VanDerWaalsContact C-N 3.28Å; G412-E414 PolarHBondContact O-N 3.43Å; E414-A416 VanDerWaalsContact C-N 3.32Å; E414-A416 PolarHBondContact O-N 3.13Å; E414-M417 CarbonylContact O-C 3.54Å; E414-M417 WeakPolarHBondContact O-CA 3.05Å; E414-M417 PolarHBondContact O-N 3.23Å; E414-G418 PolarHBondContact O-N 3.29Å; E414-S419 PolarHBondContact O-N 3.33Å; E414-S435 WeakPolarHBondContact OE2-CA 3.41Å; E414-S435 WeakPolarHBondContact OE2-CB 3.45Å; E414-M436 PolarHBondContact OE2-N 2.85Å
415	T	71.1	Confident	74.3	Confident	41 Å²	41	56.4 Å²	56.4	25%	0.252	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-43.7	170.3	68.3	0	0	0	0	111.6	D405 C411 G412 M417 G418 A422	D405-T415 HydrophobicContact CB-CG2 3.5Å; D405-T415 VanDerWaalsContact O-CG2 3.25Å; D405-T415 WeakPolarHBondContact O-CG2 3.23Å; C411-T415 PolarHBondContact O-N 3.17Å; G412-T415 WeakPolarHBondContact O-CB 3.39Å; G412-T415 PolarHBondContact O-N 3.33Å; G412-T415 PolarHBondContact O-OG1 2.79Å; T415-M417 PolarHBondContact O-N 3.33Å; T415-G418 PolarHBondContact O-N 3.21Å; T415-G418 VanDerWaalsContact O-N 3.08Å; T415-A422 HydrophobicContact CG2-CB 4.24Å
416	A	63.3	Low	72.5	Confident	58 Å²	58	61.5 Å²	61.5	48%	0.479	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	2.9	176.6	0	0	0	0	0	113.4	E414 F429	E414-A416 VanDerWaalsContact C-N 3.32Å; E414-A416 PolarHBondContact O-N 3.13Å; A416-F429 HydrophobicContact CB-CZ 4.38Å; A416-F429 WeakPolarHBondContact O-CD1 3.18Å; A416-F429 WeakPolarHBondContact O-CE1 3.35Å; A416-F429 VanDerWaalsContact O-CZ 3.3Å; A416-F429 WeakPolarHBondContact O-CZ 3.47Å
417	M	62.3	Low	70.9	Confident	115 Å²	115	61.2 Å²	61.2	57%	0.567	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	4.6	170.4	-54.8	-169.9	-157.3	0	0	112.1	E414 T415 H433	E414-M417 CarbonylContact O-C 3.54Å; E414-M417 WeakPolarHBondContact O-CA 3.05Å; E414-M417 PolarHBondContact O-N 3.23Å; T415-M417 PolarHBondContact O-N 3.33Å; M417-H433 PolarHBondContact O-CE1 3.28Å
418	G	66.8	Low	69.4	Low	13 Å²	13	58.6 Å²	58.6	13%	0.134	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	41.6	178.3	0	0	0	0	0	114.5	E414 T415 Y432 H433	E414-G418 PolarHBondContact O-N 3.29Å; T415-G418 PolarHBondContact O-N 3.21Å; T415-G418 VanDerWaalsContact O-N 3.08Å; G418-Y432 VanDerWaalsContact O-CA 3.28Å; G418-Y432 WeakPolarHBondContact O-CA 3.38Å; G418-H433 PolarHBondContact O-N 3.11Å; G418-H433 PolarHBondContact O-ND1 3.05Å
419	S	81.5	Confident	68.5	Low	7 Å²	7	57.8 Å²	57.8	5%	0.049	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-61.3	140.5	170	-177.2	0	0	0	0	111.7	D405 E414 M421 A422 H433 S435	D405-S419 VanDerWaalsContact OD2-CB 3.22Å; D405-S419 WeakPolarHBondContact OD2-CB 3.12Å; D405-S419 PolarHBondContact OD2-OG 2.99Å; E414-S419 PolarHBondContact O-N 3.33Å; S419-M421 VanDerWaalsContact C-N 3.27Å; S419-M421 PolarHBondContact O-N 3.34Å; S419-M421 PolarHBondContact OG-N 3.24Å; S419-A422 VanDerWaalsContact O-CB 3.3Å; S419-A422 WeakPolarHBondContact O-CB 3.37Å; S419-A422 PolarHBondContact O-N 3.23Å; S419-H433 CarbonylContact C-O 3.49Å; S419-H433 VanDerWaalsContact CA-O 3.29Å; S419-H433 WeakPolarHBondContact CA-O 3.45Å; S419-H433 PolarHBondContact N-CE1 3.24Å; S419-S435 PolarHBondContact OG-N 2.04Å
420	V	86.2	Confident	66.9	Low	7 Å²	7	61.1 Å²	61.1	4%	0.042	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.7	175.1	173.5	0	0	0	0	111.3	I287 H394 A422 Y432 H433 W434	I287-V420 HydrophobicContact CG2-CG2 4.1Å; H394-V420 HydrophobicContact CB-CG1 4.47Å; H394-V420 PolarHBondContact ND1-O 3.37Å; V420-A422 VanDerWaalsContact C-N 3.28Å; V420-A422 PolarHBondContact O-N 3.12Å; V420-Y432 HydrophobicContact CG2-CD2 4.02Å; V420-H433 WeakPolarHBondContact CG2-O 3.31Å; V420-H433 PolarHBondContact N-O 3.39Å; V420-W434 HydrophobicContact CB-CD2 4.15Å; V420-W434 HydrophobicContact CB-CE3 3.91Å; V420-W434 HydrophobicContact CB-CH2 4.42Å; V420-W434 HydrophobicContact CB-CZ3 4.05Å; V420-W434 HydrophobicContact CG1-CD2 4.46Å; V420-W434 HydrophobicContact CG1-CE3 4.06Å; V420-W434 HydrophobicContact CG1-CH2 3.71Å; V420-W434 HydrophobicContact CG1-CZ2 4.14Å; V420-W434 HydrophobicContact CG1-CZ3 3.65Å; V420-W434 HydrophobicContact CG2-CD2 4.35Å
421	M	88.1	Confident	65.9	Low	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	21.8	179.4	-60.8	-52	-57.8	0	0	113.9	H394 H398 M402 H404 D405 S419 W434 S438	H394-M421 HydrophobicContact CB-SD 4.49Å; H398-M421 VanDerWaalsContact CE1-CE 3.45Å; H398-M421 WeakPolarHBondContact CE1-CE 3.43Å; H398-M421 WeakPolarHBondContact ND1-CE 3.41Å; M402-M421 HydrophobicContact CB-CE 4.2Å; M402-M421 HydrophobicContact CB-CG 4.2Å; M402-M421 HydrophobicContact CB-SD 4.42Å; M402-M421 HydrophobicContact SD-CG 4.03Å; M402-M421 HydrophobicContact SD-SD 4.28Å; H404-M421 WeakPolarHBondContact CA-O 3.41Å; D405-M421 PolarHBondContact N-O 2.98Å; S419-M421 VanDerWaalsContact C-N 3.27Å; S419-M421 PolarHBondContact O-N 3.34Å; S419-M421 PolarHBondContact OG-N 3.24Å; M421-W434 HydrophobicContact CG-CE3 4.1Å; M421-W434 HydrophobicContact CG-CZ3 3.9Å; M421-W434 HydrophobicContact SD-CZ3 3.81Å; M421-S438 WeakPolarHBondContact CG-OG 3.29Å
422	A	83.3	Confident	65.4	Low	8 Å²	8	55.6 Å²	55.6	7%	0.066	31%	0.31	C	S	.	.			trans	-65.9	129.8	173.7	0	0	0	0	0	111.4	H394 T415 S419 V420 L424	H394-A422 PolarHBondContact CE1-O 3.02Å; T415-A422 HydrophobicContact CG2-CB 4.24Å; S419-A422 VanDerWaalsContact O-CB 3.3Å; S419-A422 WeakPolarHBondContact O-CB 3.37Å; S419-A422 PolarHBondContact O-N 3.23Å; V420-A422 VanDerWaalsContact C-N 3.28Å; V420-A422 PolarHBondContact O-N 3.12Å; A422-L424 CarbonylContact O-C 3.28Å; A422-L424 PolarHBondContact O-N 3.06Å
423	P	75.9	Confident	65.6	Low	50 Å²	50	56.3 Å²	56.3	33%	0.325	31%	0.306	S	S	.	.	S	Bend	trans	-65.5	-11.9	-172.8	24.5	-35.7	0	0	0	115.5	H404 D405 Q407	H404-P423 HydrophobicContact CB-CB 3.93Å; H404-P423 HydrophobicContact CB-CG 4.41Å; D405-P423 VanDerWaalsContact O-CD 3.25Å; D405-P423 WeakPolarHBondContact O-CD 3.36Å; Q407-P423 HydrophobicContact CG-CB 4.21Å; Q407-P423 HydrophobicContact CG-CG 4.08Å; Q407-P423 VanDerWaalsContact NE2-CB 3.26Å
424	L	67.3	Low	66.2	Low	111 Å²	111	50.2 Å²	50.2	58%	0.581	27%	0.274	S	S	*	.	S	Bend	trans	-124.2	115.4	157.9	-177.4	65.4	0	0	0	105.2	A422 Q426	A422-L424 CarbonylContact O-C 3.28Å; A422-L424 PolarHBondContact O-N 3.06Å; L424-Q426 HydrophobicContact CB-CG 4.18Å; L424-Q426 HydrophobicContact CD2-CG 3.64Å; L424-Q426 HydrophobicContact CG-CG 3.69Å; L424-Q426 PolarHBondContact O-N 2.75Å
425	V	56.1	Low	66.8	Low	48 Å²	48	48 Å²	48	29%	0.291	26%	0.263	S	S	.	.			trans	-72.8	66.1	179.7	-171.7	0	0	0	0	109.4	F390 A427	F390-V425 HydrophobicContact CB-CG1 4.38Å; V425-A427 PolarHBondContact O-N 2.99Å; V425-A427 VanDerWaalsContact O-N 3.16Å
426	Q	46.1	Very low	67.3	Low	109 Å²	109	51.7 Å²	51.7	51%	0.509	28%	0.279	S	S	.	.			trans	-64.4	116.1	-176.4	-72.1	-171.3	-36	0	0	109.5	L424 A428	L424-Q426 HydrophobicContact CB-CG 4.18Å; L424-Q426 HydrophobicContact CD2-CG 3.64Å; L424-Q426 HydrophobicContact CG-CG 3.69Å; L424-Q426 PolarHBondContact O-N 2.75Å; Q426-A428 HydrophobicContact CB-CB 4.36Å; Q426-A428 PolarHBondContact O-N 2.79Å
427	A	42.6	Very low	68.4	Low	32 Å²	32	49.6 Å²	49.6	26%	0.264	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	36.8	177.7	0	0	0	0	0	113.1	R197 V425	R197-A427 HydrophobicContact CG-CB 3.85Å; V425-A427 PolarHBondContact O-N 2.99Å; V425-A427 VanDerWaalsContact O-N 3.16Å
428	A	41	Very low	69.6	Low	58 Å²	58	44.1 Å²	44.1	48%	0.479	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	10	-158.9	0	0	0	0	0	114.7	L201 Q426	L201-A428 HydrophobicContact CD1-CB 4.46Å; Q426-A428 HydrophobicContact CB-CB 4.36Å; Q426-A428 PolarHBondContact O-N 2.79Å
429	F	45.8	Very low	70.4	Confident	70 Å²	70	44.1 Å²	44.1	31%	0.307	23%	0.234	S	C	.	.	S	Bend	trans	-113.4	146.9	162.1	-65.5	-70.6	0	0	0	110	A416 R431	A416-F429 HydrophobicContact CB-CZ 4.38Å; A416-F429 WeakPolarHBondContact O-CD1 3.18Å; A416-F429 WeakPolarHBondContact O-CE1 3.35Å; A416-F429 VanDerWaalsContact O-CZ 3.3Å; A416-F429 WeakPolarHBondContact O-CZ 3.47Å; F429-R431 PolarHBondContact O-N 3.39Å
430	H	46.8	Very low	70.5	Confident	97 Å²	97	49.8 Å²	49.8	45%	0.449	26%	0.26	S	S	.	.	S	Bend	trans	-88.5	19.4	-168.9	50.6	-88.7	0	0	0	112.9	S170 D171	S170-H430 WeakPolarHBondContact O-CB 3.29Å; D171-H430 PolarHBondContact N-O 2.63Å
431	R	57.4	Low	70.4	Confident	133 Å²	133	51.1 Å²	51.1	50%	0.502	27%	0.265	S	S	.	.			trans	-156.3	145.9	-176	-61.3	-179.3	179.3	166.1	-0.7	107.1	D169 F429	D169-R431 VanDerWaalsContact O-CZ 3.25Å; D169-R431 PolarHBondContact O-NE 2.85Å; D169-R431 PolarHBondContact O-NH2 2.82Å; F429-R431 PolarHBondContact O-N 3.39Å
432	Y	72	Confident	70.3	Confident	6 Å²	6	51.1 Å²	51.1	2%	0.024	27%	0.265	C	S	.	.			trans	-117.6	154.4	159.4	68.9	-93.6	0	0	0	110.4	M153 M165 R167 E172 I287 F390 G418 V420	M153-Y432 HydrophobicContact CE-CE2 4.36Å; M165-Y432 HydrophobicContact CE-CE1 4.01Å; M165-Y432 WeakPolarHBondContact CE-OH 3.44Å; M165-Y432 HydrophobicContact SD-CE1 4.23Å; R167-Y432 HydrophobicContact CB-CE1 4.45Å; R167-Y432 VanDerWaalsContact CD-CE1 3.42Å; R167-Y432 HydrophobicContact CG-CE1 4.39Å; R167-Y432 VanDerWaalsContact CZ-O 3.31Å; R167-Y432 PolarHBondContact NH1-O 2.62Å; R167-Y432 PolarHBondContact NH2-O 2.95Å; E172-Y432 WeakPolarHBondContact OE1-CD1 3.4Å; E172-Y432 PolarHBondContact OE1-N 2.85Å; I287-Y432 HydrophobicContact CB-CE2 4.21Å; I287-Y432 HydrophobicContact CG1-CE2 3.84Å; I287-Y432 HydrophobicContact CG2-CD2 4.43Å; I287-Y432 HydrophobicContact CG2-CE2 4.07Å; F390-Y432 HydrophobicContact CD1-CG 4.49Å; F390-Y432 AromaticContact CE1-CD1 3.3Å; F390-Y432 HydrophobicContact CE1-CD1 3.3Å; F390-Y432 AromaticContact CE1-CD2 3.95Å; F390-Y432 HydrophobicContact CE1-CD2 3.95Å; F390-Y432 AromaticContact CE1-CE1 3.53Å; F390-Y432 HydrophobicContact CE1-CE1 3.53Å; F390-Y432 HydrophobicContact CE1-CE2 4.18Å; F390-Y432 AromaticContact CE1-CG 3.51Å; F390-Y432 HydrophobicContact CE1-CG 3.51Å; F390-Y432 AromaticContact CE1-CZ 3.98Å; F390-Y432 AromaticContact CZ-CD1 3.42Å; F390-Y432 HydrophobicContact CZ-CD1 3.42Å; F390-Y432 VanDerWaalsContact CZ-CD1 3.42Å; F390-Y432 AromaticContact CZ-CE1 3.5Å; F390-Y432 HydrophobicContact CZ-CE1 3.5Å; F390-Y432 VanDerWaalsContact CZ-CE1 3.5Å; F390-Y432 HydrophobicContact CZ-CG 4.12Å; G418-Y432 VanDerWaalsContact O-CA 3.28Å; G418-Y432 WeakPolarHBondContact O-CA 3.38Å; V420-Y432 HydrophobicContact CG2-CD2 4.02Å
433	H	77	Confident	70.2	Confident	40 Å²	40	57.2 Å²	57.2	19%	0.185	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-157.7	164.5	172.9	63.7	-60.2	0	0	0	109.1	M417 G418 S419 V420	M417-H433 PolarHBondContact O-CE1 3.28Å; G418-H433 PolarHBondContact O-N 3.11Å; G418-H433 PolarHBondContact O-ND1 3.05Å; S419-H433 CarbonylContact C-O 3.49Å; S419-H433 VanDerWaalsContact CA-O 3.29Å; S419-H433 WeakPolarHBondContact CA-O 3.45Å; S419-H433 PolarHBondContact N-CE1 3.24Å; V420-H433 WeakPolarHBondContact CG2-O 3.31Å; V420-H433 PolarHBondContact N-O 3.39Å
434	W	86.5	Confident	70.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.015	31%	0.309	C	S	.	.			trans	-87.2	137.3	164.8	-61.7	95.2	0	0	0	109.1	I287 Y288 S292 L293 M402 V420 M421	I287-W434 HydrophobicContact CG2-CZ2 3.86Å; I287-W434 PolarHBondContact O-NE1 2.83Å; Y288-W434 HydrophobicContact CD1-CZ2 4.03Å; Y288-W434 HydrophobicContact CD2-CZ2 4.48Å; Y288-W434 AromaticContact CE1-CH2 3.83Å; Y288-W434 HydrophobicContact CE1-CH2 3.83Å; Y288-W434 AromaticContact CE1-CZ2 3.75Å; Y288-W434 HydrophobicContact CE1-CZ2 3.75Å; Y288-W434 HydrophobicContact CE2-CH2 4.34Å; Y288-W434 HydrophobicContact CE2-CZ2 4.23Å; Y288-W434 HydrophobicContact CG-CZ2 4.37Å; Y288-W434 AromaticContact CZ-CH2 3.68Å; Y288-W434 AromaticContact CZ-CZ2 3.84Å; S292-W434 PolarHBondContact OG-N 3.2Å; L293-W434 HydrophobicContact CB-CB 4.39Å; L293-W434 HydrophobicContact CB-CG 4.02Å; L293-W434 HydrophobicContact CD1-CB 4.02Å; L293-W434 HydrophobicContact CD1-CD2 3.69Å; L293-W434 HydrophobicContact CD1-CE3 4.1Å; L293-W434 HydrophobicContact CD1-CG 3.66Å; L293-W434 HydrophobicContact CG-CG 4.35Å; M402-W434 HydrophobicContact CE-CE3 4.24Å; M402-W434 HydrophobicContact CE-CH2 4.19Å; M402-W434 HydrophobicContact CE-CZ3 3.8Å; M402-W434 HydrophobicContact SD-CE3 3.74Å; M402-W434 HydrophobicContact SD-CH2 4.35Å; M402-W434 HydrophobicContact SD-CZ3 3.43Å; M402-W434 WeakPolarHBondContact SD-CZ3 3.35Å; V420-W434 HydrophobicContact CB-CD2 4.15Å; V420-W434 HydrophobicContact CB-CE3 3.91Å; V420-W434 HydrophobicContact CB-CH2 4.42Å; V420-W434 HydrophobicContact CB-CZ3 4.05Å; V420-W434 HydrophobicContact CG1-CD2 4.46Å; V420-W434 HydrophobicContact CG1-CE3 4.06Å; V420-W434 HydrophobicContact CG1-CH2 3.71Å; V420-W434 HydrophobicContact CG1-CZ2 4.14Å; V420-W434 HydrophobicContact CG1-CZ3 3.65Å; V420-W434 HydrophobicContact CG2-CD2 4.35Å; M421-W434 HydrophobicContact CG-CE3 4.1Å; M421-W434 HydrophobicContact CG-CZ3 3.9Å; M421-W434 HydrophobicContact SD-CZ3 3.81Å
435	S	86.1	Confident	70.9	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.295	C	S	.	.			trans	-67.4	158.8	178.2	66.8	0	0	0	0	112.1	D405 E414 S419 C437 S438 G439	D405-S435 VanDerWaalsContact CG-CB 3.47Å; D405-S435 VanDerWaalsContact OD1-CB 3.24Å; D405-S435 WeakPolarHBondContact OD1-CB 3.48Å; D405-S435 PolarHBondContact OD1-OG 3.38Å; D405-S435 WeakPolarHBondContact OD2-CB 3.47Å; D405-S435 PolarHBondContact OD2-OG 2.96Å; E414-S435 WeakPolarHBondContact OE2-CA 3.41Å; E414-S435 WeakPolarHBondContact OE2-CB 3.45Å; S419-S435 PolarHBondContact OG-N 2.04Å; S435-C437 PolarHBondContact O-N 2.91Å; S435-C437 VanDerWaalsContact O-N 3.13Å; S435-C437 PolarHBondContact OG-N 3.39Å; S435-S438 WeakPolarHBondContact O-CB 3.38Å; S435-S438 PolarHBondContact O-N 3.22Å; S435-S438 VanDerWaalsContact O-N 3.16Å; S435-S438 WeakPolarHBondContact OG-CB 3.4Å; S435-S438 PolarHBondContact OG-N 3.32Å; S435-S438 PolarHBondContact OG-OG 3.14Å; S435-G439 PolarHBondContact O-N 2.79Å; S435-G439 VanDerWaalsContact O-N 3.13Å
436	M	82	Confident	72.1	Confident	119 Å²	119	59.9 Å²	59.9	59%	0.586	28%	0.282	S	S	*	.	H	α-helix	trans	-60.3	-22.1	170.5	-74.4	-60.5	-53	0	0	112.1	E414 Q440	E414-M436 PolarHBondContact OE2-N 2.85Å; M436-Q440 VanDerWaalsContact O-CG 3.25Å; M436-Q440 WeakPolarHBondContact O-CG 3.25Å; M436-Q440 PolarHBondContact O-N 2.92Å; M436-Q440 PolarHBondContact O-NE2 3.14Å
437	C	86	Confident	73.5	Confident	14 Å²	14	61.3 Å²	61.3	10%	0.095	29%	0.289	C	S	.	.	H	α-helix	trans	-77.3	-48.8	173.8	-61.1	0	0	0	0	111.2	N409 C411 S435 G439 Q440 E441	N409-C437 HydrophobicContact CB-CB 4.23Å; N409-C437 VanDerWaalsContact CG-SG 3.52Å; N409-C437 WeakPolarHBondContact ND2-CB 3.47Å; C411-C437 HydrophobicContact CB-CB 3.85Å; C411-C437 WeakPolarHBondContact CB-SG 3.44Å; C411-C437 PolarHBondContact N-SG 3.48Å; C411-C437 VanDerWaalsContact N-SG 3.44Å; C411-C437 WeakPolarHBondContact SG-CB 3.44Å; C411-C437 PolarHBondContact SG-N 3.32Å; C411-C437 CovalentContact SG-SG 2.04Å; C411-C437 PolarHBondContact SG-SG 3.45Å; S435-C437 PolarHBondContact O-N 2.91Å; S435-C437 VanDerWaalsContact O-N 3.13Å; S435-C437 PolarHBondContact OG-N 3.39Å; C437-G439 VanDerWaalsContact C-N 3.32Å; C437-G439 PolarHBondContact O-N 3.39Å; C437-Q440 WeakPolarHBondContact O-CA 3.28Å; C437-Q440 WeakPolarHBondContact O-CB 3.44Å; C437-Q440 PolarHBondContact O-N 3.06Å; C437-E441 WeakPolarHBondContact O-CG 3.28Å; C437-E441 PolarHBondContact O-N 3.42Å
438	S	87.1	Confident	75	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-51.6	-48.7	176.6	-60.9	0	0	0	0	111.8	M421 S435 Q440 E441 L442	M421-S438 WeakPolarHBondContact CG-OG 3.29Å; S435-S438 WeakPolarHBondContact O-CB 3.38Å; S435-S438 PolarHBondContact O-N 3.22Å; S435-S438 VanDerWaalsContact O-N 3.16Å; S435-S438 WeakPolarHBondContact OG-CB 3.4Å; S435-S438 PolarHBondContact OG-N 3.32Å; S435-S438 PolarHBondContact OG-OG 3.14Å; S438-Q440 VanDerWaalsContact C-N 3.34Å; S438-Q440 PolarHBondContact O-N 3.49Å; S438-E441 PolarHBondContact O-N 3.36Å; S438-L442 VanDerWaalsContact O-CB 3.32Å; S438-L442 WeakPolarHBondContact O-CB 3.35Å; S438-L442 PolarHBondContact O-N 3.19Å
439	G	84.3	Confident	76.9	Confident	14 Å²	14	62.5 Å²	62.5	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-30.6	177.6	0	0	0	0	0	114	S435 C437 K443	S435-G439 PolarHBondContact O-N 2.79Å; S435-G439 VanDerWaalsContact O-N 3.13Å; C437-G439 VanDerWaalsContact C-N 3.32Å; C437-G439 PolarHBondContact O-N 3.39Å; G439-K443 WeakPolarHBondContact O-CB 3.26Å; G439-K443 PolarHBondContact O-N 3.08Å; G439-K443 VanDerWaalsContact O-N 3.13Å
440	Q	82.4	Confident	78	Confident	126 Å²	126	64.9 Å²	64.9	59%	0.589	30%	0.3	S	S	*	.	H	α-helix	trans	-75.7	-39.3	175.4	-77.8	173.6	73.2	0	0	112.3	M436 C437 S438 K443 R444	M436-Q440 VanDerWaalsContact O-CG 3.25Å; M436-Q440 WeakPolarHBondContact O-CG 3.25Å; M436-Q440 PolarHBondContact O-N 2.92Å; M436-Q440 PolarHBondContact O-NE2 3.14Å; C437-Q440 WeakPolarHBondContact O-CA 3.28Å; C437-Q440 WeakPolarHBondContact O-CB 3.44Å; C437-Q440 PolarHBondContact O-N 3.06Å; S438-Q440 VanDerWaalsContact C-N 3.34Å; S438-Q440 PolarHBondContact O-N 3.49Å; Q440-K443 PolarHBondContact O-N 3.35Å; Q440-R444 PolarHBondContact O-N 3.11Å
441	E	85.6	Confident	79.6	Confident	35 Å²	35	61.5 Å²	61.5	16%	0.164	29%	0.287	C	S	.	.	H	α-helix	trans	-68.9	-45.7	177.4	-71.1	161.9	-154.2	0	0	110.7	E403 N409 C437 S438 K443 R444 Y445	E403-E441 PolarHBondContact N-OE2 3.25Å; N409-E441 PolarHBondContact ND2-OE1 3.2Å; C437-E441 WeakPolarHBondContact O-CG 3.28Å; C437-E441 PolarHBondContact O-N 3.42Å; S438-E441 PolarHBondContact O-N 3.36Å; E441-K443 VanDerWaalsContact C-N 3.35Å; E441-K443 PolarHBondContact O-N 3.09Å; E441-R444 VanDerWaalsContact O-CB 3.26Å; E441-R444 WeakPolarHBondContact O-CB 2.86Å; E441-R444 PolarHBondContact O-N 2.86Å; E441-R444 VanDerWaalsContact O-N 3.15Å; E441-Y445 VanDerWaalsContact O-CD2 3.32Å; E441-Y445 WeakPolarHBondContact O-CD2 3.36Å; E441-Y445 PolarHBondContact O-N 2.98Å
442	L	85.7	Confident	80.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.4	-49.3	170.5	-179	67	0	0	0	111.5	L293 V295 I297 L400 M402 S438 R444 Y445 I446	L293-L442 HydrophobicContact CD1-CD2 3.58Å; L293-L442 HydrophobicContact CD2-CD2 3.99Å; L293-L442 HydrophobicContact CG-CD2 3.63Å; V295-L442 HydrophobicContact CB-CD2 4.09Å; V295-L442 HydrophobicContact CG2-CD2 4.14Å; I297-L442 HydrophobicContact CD1-CD1 4.23Å; I297-L442 HydrophobicContact CD1-CD2 4Å; L400-L442 HydrophobicContact CB-CD1 3.99Å; L400-L442 HydrophobicContact CD1-CD1 4.16Å; L400-L442 HydrophobicContact CD2-CD1 4.27Å; L400-L442 HydrophobicContact CG-CD1 4.38Å; M402-L442 HydrophobicContact CE-CB 4.17Å; M402-L442 HydrophobicContact CE-CD1 4Å; M402-L442 HydrophobicContact CE-CD2 4.25Å; M402-L442 HydrophobicContact CE-CG 4.37Å; S438-L442 VanDerWaalsContact O-CB 3.32Å; S438-L442 WeakPolarHBondContact O-CB 3.35Å; S438-L442 PolarHBondContact O-N 3.19Å; L442-R444 PolarHBondContact O-N 3.31Å; L442-R444 VanDerWaalsContact O-N 3.1Å; L442-Y445 PolarHBondContact O-N 3Å; L442-I446 HydrophobicContact CD1-CB 4.25Å; L442-I446 HydrophobicContact CD1-CD1 4.19Å; L442-I446 HydrophobicContact CG-CB 4.3Å; L442-I446 WeakPolarHBondContact O-CB 3.31Å; L442-I446 WeakPolarHBondContact O-CG2 3.35Å; L442-I446 PolarHBondContact O-N 2.98Å
443	K	81.4	Confident	81	Confident	136 Å²	136	58.7 Å²	58.7	59%	0.591	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-19.6	-177.9	-169.1	163.1	-170.4	156.5	0	113.6	G439 Q440 E441	G439-K443 WeakPolarHBondContact O-CB 3.26Å; G439-K443 PolarHBondContact O-N 3.08Å; G439-K443 VanDerWaalsContact O-N 3.13Å; Q440-K443 PolarHBondContact O-N 3.35Å; E441-K443 VanDerWaalsContact C-N 3.35Å; E441-K443 PolarHBondContact O-N 3.09Å
444	R	79.8	Confident	80.5	Confident	188 Å²	188	60.4 Å²	60.4	71%	0.709	29%	0.292	S	S	*	.	H	α-helix	trans	-75.1	-33.9	173.2	-171.5	-179.7	-177	154.2	-1.8	113	Q440 E441 L442	Q440-R444 PolarHBondContact O-N 3.11Å; E441-R444 VanDerWaalsContact O-CB 3.26Å; E441-R444 WeakPolarHBondContact O-CB 2.86Å; E441-R444 PolarHBondContact O-N 2.86Å; E441-R444 VanDerWaalsContact O-N 3.15Å; L442-R444 PolarHBondContact O-N 3.31Å; L442-R444 VanDerWaalsContact O-N 3.1Å
445	Y	76.1	Confident	79.4	Confident	73 Å²	73	61.6 Å²	61.6	29%	0.286	30%	0.299	S	S	.	.	H	α-helix	trans	-108.9	-26.8	-172.9	-60.7	-61.4	0	0	0	114.4	E441 L442 Q447 T448 Y449	E441-Y445 VanDerWaalsContact O-CD2 3.32Å; E441-Y445 WeakPolarHBondContact O-CD2 3.36Å; E441-Y445 PolarHBondContact O-N 2.98Å; L442-Y445 PolarHBondContact O-N 3Å; Y445-Q447 VanDerWaalsContact C-N 3.27Å; Y445-Q447 PolarHBondContact O-N 3.4Å; Y445-Q447 VanDerWaalsContact O-N 3.17Å; Y445-T448 WeakPolarHBondContact O-CA 2.99Å; Y445-T448 WeakPolarHBondContact O-CB 3.47Å; Y445-T448 PolarHBondContact O-N 2.63Å; Y445-T448 PolarHBondContact O-OG1 3.06Å; Y445-Y449 WeakPolarHBondContact O-CD2 3.43Å
446	I	82.3	Confident	78.1	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.015	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57.2	-36.7	-174.9	-166.6	66	0	0	0	113.2	Y252 V295 I297 L442 T448 Y449 L452	Y252-I446 HydrophobicContact CD1-CD1 3.98Å; Y252-I446 HydrophobicContact CD1-CG1 3.82Å; Y252-I446 HydrophobicContact CD2-CD1 4.49Å; Y252-I446 HydrophobicContact CD2-CG1 4.04Å; Y252-I446 HydrophobicContact CE1-CD1 4.25Å; Y252-I446 HydrophobicContact CE1-CG1 3.61Å; Y252-I446 HydrophobicContact CE2-CG1 3.86Å; Y252-I446 HydrophobicContact CG-CD1 4.11Å; Y252-I446 HydrophobicContact CG-CG1 4.03Å; V295-I446 HydrophobicContact CG1-CG1 4.41Å; I297-I446 HydrophobicContact CD1-CD1 4.12Å; L442-I446 HydrophobicContact CD1-CB 4.25Å; L442-I446 HydrophobicContact CD1-CD1 4.19Å; L442-I446 HydrophobicContact CG-CB 4.3Å; L442-I446 WeakPolarHBondContact O-CB 3.31Å; L442-I446 WeakPolarHBondContact O-CG2 3.35Å; L442-I446 PolarHBondContact O-N 2.98Å; I446-T448 PolarHBondContact O-N 3.1Å; I446-Y449 PolarHBondContact O-N 3.28Å; I446-L452 HydrophobicContact CD1-CD1 3.83Å
447	Q	76.3	Confident	76.8	Confident	140 Å²	140	59.7 Å²	59.7	65%	0.654	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-74.3	-0.5	176.2	-63.1	-170.5	-12.6	0	0	114.2	Y445	Y445-Q447 VanDerWaalsContact C-N 3.27Å; Y445-Q447 PolarHBondContact O-N 3.4Å; Y445-Q447 VanDerWaalsContact O-N 3.17Å
448	T	74.1	Confident	74.9	Confident	93 Å²	93	66.6 Å²	66.6	57%	0.571	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-105.1	-11.7	175.8	72.9	0	0	0	0	113	Y445 I446 D450	Y445-T448 WeakPolarHBondContact O-CA 2.99Å; Y445-T448 WeakPolarHBondContact O-CB 3.47Å; Y445-T448 PolarHBondContact O-N 2.63Å; Y445-T448 PolarHBondContact O-OG1 3.06Å; I446-T448 PolarHBondContact O-N 3.1Å; T448-D450 PolarHBondContact O-N 3.3Å
449	Y	79.3	Confident	72.8	Confident	22 Å²	22	72.6 Å²	72.6	9%	0.086	35%	0.347	C	S	.	.			trans	-89	77.7	177.8	-61.1	-47	0	0	0	110.7	M371 L400 Y445 I446 C451 L452	M371-Y449 HydrophobicContact CB-CD1 3.98Å; M371-Y449 HydrophobicContact CB-CD2 4.15Å; M371-Y449 HydrophobicContact CB-CE1 3.84Å; M371-Y449 HydrophobicContact CB-CE2 4.02Å; M371-Y449 HydrophobicContact CB-CG 4.16Å; M371-Y449 HydrophobicContact CG-CD2 4.43Å; M371-Y449 HydrophobicContact CG-CG 4.39Å; L400-Y449 HydrophobicContact CD2-CD2 4.41Å; L400-Y449 HydrophobicContact CD2-CE2 4.32Å; L400-Y449 WeakPolarHBondContact O-CE2 3.36Å; L400-Y449 PolarHBondContact O-OH 3.4Å; Y445-Y449 WeakPolarHBondContact O-CD2 3.43Å; I446-Y449 PolarHBondContact O-N 3.28Å; Y449-C451 PolarHBondContact O-N 2.67Å; Y449-L452 HydrophobicContact CD2-CD1 4.1Å; Y449-L452 HydrophobicContact CG-CD1 4.21Å; Y449-L452 PolarHBondContact O-N 2.81Å; Y449-L452 VanDerWaalsContact O-N 3.07Å
450	D	70.5	Confident	70.2	Confident	120 Å²	120	80.3 Å²	80.3	64%	0.642	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-57	-17.4	-178.7	-98.6	-28.1	0	0	0	114.4	T448	T448-D450 PolarHBondContact O-N 3.3Å
451	C	80.3	Confident	68.6	Low	25 Å²	25	83.6 Å²	83.6	17%	0.169	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-76.1	-24.1	177	72.2	0	0	0	0	113.7	D347 C372 Y449 L453	D347-C451 VanDerWaalsContact OD1-CB 3.23Å; D347-C451 WeakPolarHBondContact OD1-CB 2.99Å; D347-C451 PolarHBondContact OD1-SG 2.76Å; C372-C451 VanDerWaalsContact CA-SG 3.56Å; C372-C451 HydrophobicContact CB-CB 3.89Å; C372-C451 WeakPolarHBondContact CB-SG 3.33Å; C372-C451 WeakPolarHBondContact SG-CB 3.4Å; C372-C451 CovalentContact SG-SG 2.03Å; C372-C451 PolarHBondContact SG-SG 2.8Å; Y449-C451 PolarHBondContact O-N 2.67Å; C451-L453 PolarHBondContact O-N 2.84Å; C451-L453 VanDerWaalsContact O-N 3.16Å
452	L	82.9	Confident	66	Low	1 Å²	1	87.5 Å²	87.5	1%	0.005	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-86.5	16	-173.2	-49.9	-178.6	0	0	0	113.5	Y252 N253 I254 D347 M371 L400 I446 Y449	Y252-L452 WeakPolarHBondContact CA-O 3.4Å; Y252-L452 HydrophobicContact CD1-CB 4.08Å; N253-L452 PolarHBondContact N-O 2.91Å; N253-L452 VanDerWaalsContact N-O 3.13Å; N253-L452 VanDerWaalsContact O-CA 3.25Å; N253-L452 WeakPolarHBondContact O-CA 3.35Å; N253-L452 VanDerWaalsContact O-CB 3.27Å; N253-L452 WeakPolarHBondContact O-CB 3.33Å; N253-L452 VanDerWaalsContact O-CD2 3.23Å; N253-L452 WeakPolarHBondContact O-CD2 3.27Å; I254-L452 HydrophobicContact CB-CD2 4.4Å; I254-L452 HydrophobicContact CG1-CD1 4.44Å; I254-L452 HydrophobicContact CG1-CD2 3.92Å; D347-L452 HydrophobicContact CB-CD2 4.04Å; M371-L452 HydrophobicContact CG-CD1 3.92Å; M371-L452 HydrophobicContact CG-CD2 4.02Å; M371-L452 HydrophobicContact CG-CG 4.38Å; M371-L452 HydrophobicContact SD-CD2 4.34Å; L400-L452 HydrophobicContact CD2-CD1 4.26Å; I446-L452 HydrophobicContact CD1-CD1 3.83Å; Y449-L452 HydrophobicContact CD2-CD1 4.1Å; Y449-L452 HydrophobicContact CG-CD1 4.21Å; Y449-L452 PolarHBondContact O-N 2.81Å; Y449-L452 VanDerWaalsContact O-N 3.07Å
453	L	75.6	Confident	63.4	Low	80 Å²	80	96.2 Å²	96.2	42%	0.419	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-117.5	-9.7	-163.4	-71.6	179.6	0	0	0	114.9	Y252 C451	Y252-L453 HydrophobicContact CD1-CD2 3.73Å; Y252-L453 HydrophobicContact CE1-CD2 3.48Å; Y252-L453 VanDerWaalsContact CE1-CD2 3.48Å; Y252-L453 HydrophobicContact CE1-CG 4.43Å; C451-L453 PolarHBondContact O-N 2.84Å; C451-L453 VanDerWaalsContact O-N 3.16Å
454	D	67.1	Low	61.3	Low	75 Å²	75	97.9 Å²	97.9	40%	0.401	48%	0.475	S	S	.	.	S	Bend	trans	-86.3	173.4	162.9	45.4	-89.7	0	0	0	110.9	N253	N253-D454 PolarHBondContact ND2-O 3.21Å
455	D	63.7	Low	59.3	Low	29 Å²	29	94.2 Å²	94.2	16%	0.155	48%	0.476	C	S	.	.			trans	-130	103	-173.1	179.9	-23.5	0	0	0	107.2	F457 K458	D455-F457 PolarHBondContact O-N 2.84Å; D455-F457 WeakPolarHBondContact OD1-CA 3.34Å; D455-F457 WeakPolarHBondContact OD1-CB 3.48Å; D455-F457 PolarHBondContact OD1-N 3.1Å; D455-K458 HydrophobicContact CB-CB 4.03Å; D455-K458 HydrophobicContact CB-CD 4.1Å; D455-K458 HydrophobicContact CB-CG 3.92Å; D455-K458 PolarHBondContact O-N 3.47Å; D455-K458 PolarHBondContact OD1-N 3.34Å; D455-K458 IonicContact OD2-NZ 4Å; D455-K458 PolarHBondContact OD2-NZ 2.77Å
456	P	58.5	Low	57.7	Low	27 Å²	27	96.8 Å²	96.8	18%	0.175	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-4.1	-175.5	24.6	-33	0	0	0	113.6	E255 V300	E255-P456 HydrophobicContact CG-CG 4.46Å; V300-P456 HydrophobicContact CB-CG 4.48Å; V300-P456 HydrophobicContact CG1-CG 4.01Å; V300-P456 HydrophobicContact CG2-CG 4.26Å
457	F	53	Low	56	Low	53 Å²	53	100 Å²	100	23%	0.232	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-11.5	171.8	-53.3	-86.8	0	0	0	112.8	D96 R97 V99 P101 V300 D455 H459	D96-F457 VanDerWaalsContact O-CE1 3.3Å; D96-F457 WeakPolarHBondContact O-CE1 3.16Å; R97-F457 VanDerWaalsContact CA-CZ 3.46Å; R97-F457 HydrophobicContact CB-CE2 4.1Å; R97-F457 HydrophobicContact CB-CZ 4.18Å; R97-F457 HydrophobicContact CG-CD2 4.38Å; R97-F457 HydrophobicContact CG-CE2 4.22Å; R97-F457 HydrophobicContact CG-CZ 4.49Å; R97-F457 VanDerWaalsContact O-CZ 3.27Å; R97-F457 WeakPolarHBondContact O-CZ 3.41Å; V99-F457 WeakPolarHBondContact O-CE1 3.25Å; P101-F457 HydrophobicContact CG-CD1 3.94Å; P101-F457 HydrophobicContact CG-CE1 4.24Å; V300-F457 HydrophobicContact CG1-CE2 3.85Å; V300-F457 HydrophobicContact CG1-CZ 3.72Å; V300-F457 HydrophobicContact CG2-CE2 3.94Å; V300-F457 HydrophobicContact CG2-CZ 4.46Å; D455-F457 PolarHBondContact O-N 2.84Å; D455-F457 WeakPolarHBondContact OD1-CA 3.34Å; D455-F457 WeakPolarHBondContact OD1-CB 3.48Å; D455-F457 PolarHBondContact OD1-N 3.1Å; F457-H459 PolarHBondContact O-N 3.45Å
458	K	46.3	Very low	54.6	Low	159 Å²	159	94.8 Å²	94.8	69%	0.691	49%	0.486	S	S	*	.			trans	-83.3	106.3	169.9	-79.3	-171.2	-168.4	77.5	0	110.9	D455	D455-K458 HydrophobicContact CB-CB 4.03Å; D455-K458 HydrophobicContact CB-CD 4.1Å; D455-K458 HydrophobicContact CB-CG 3.92Å; D455-K458 PolarHBondContact O-N 3.47Å; D455-K458 PolarHBondContact OD1-N 3.34Å; D455-K458 IonicContact OD2-NZ 4Å; D455-K458 PolarHBondContact OD2-NZ 2.77Å
459	H	43.8	Very low	53.5	Low	126 Å²	126	90.4 Å²	90.4	58%	0.583	46%	0.459	S	S	*	.			trans	-138	124.2	176.4	-151.2	112	0	0	0	104.6	F457 W461	F457-H459 PolarHBondContact O-N 3.45Å; H459-W461 VanDerWaalsContact C-N 3.35Å; H459-W461 AromaticContact CD2-CE2 3.43Å; H459-W461 VanDerWaalsContact CD2-CE2 3.43Å; H459-W461 AromaticContact CD2-CH2 3.91Å; H459-W461 AromaticContact CD2-CZ2 3.23Å; H459-W461 WeakPolarHBondContact CD2-CZ2 3.41Å; H459-W461 AromaticContact CD2-NE1 3.7Å; H459-W461 AromaticContact CG-NE1 3.79Å; H459-W461 AromaticContact NE2-CZ2 3.6Å; H459-W461 PolarHBondContact O-N 3.16Å
460	D	30.7	Very low	52.5	Low	176 Å²	176	93.4 Å²	93.4	94%	0.941	48%	0.476	S	S	*	.			trans	-70.7	81.6	-164.4	-86.7	-31.6	0	0	0	112.8
461	W	48.2	Very low	51.5	Low	194 Å²	194	88.3 Å²	88.3	74%	0.735	45%	0.449	S	S	*	.			trans	-100.6	141.4	-177	-62.5	121	0	0	0	113.5	H459 Q463	H459-W461 VanDerWaalsContact C-N 3.35Å; H459-W461 AromaticContact CD2-CE2 3.43Å; H459-W461 VanDerWaalsContact CD2-CE2 3.43Å; H459-W461 AromaticContact CD2-CH2 3.91Å; H459-W461 AromaticContact CD2-CZ2 3.23Å; H459-W461 WeakPolarHBondContact CD2-CZ2 3.41Å; H459-W461 AromaticContact CD2-NE1 3.7Å; H459-W461 AromaticContact CG-NE1 3.79Å; H459-W461 AromaticContact NE2-CZ2 3.6Å; H459-W461 PolarHBondContact O-N 3.16Å; W461-Q463 PolarHBondContact O-N 2.68Å
462	P	30.8	Very low	50.5	Low	118 Å²	118	88.8 Å²	88.8	77%	0.766	45%	0.447	S	S	*	.	S	Bend	trans	-79.4	109.1	178.5	29.8	-33.3	0	0	0	114.3
463	Q	30.2	Very low	50	Low	183 Å²	183	91.1 Å²	91.1	86%	0.855	46%	0.464	S	S	*	.			trans	86.7	159.2	160.6	-59.3	-161.1	-18.9	0	0	120.1	W461	W461-Q463 PolarHBondContact O-N 2.68Å
464	L	38.2	Very low	50	Low	170 Å²	170	88.2 Å²	88.2	89%	0.89	45%	0.448	S	S	*	.			trans	-121	153.9	-153.4	-63.8	133	0	0	0	113.5
465	P	38.1	Very low	50.4	Low	112 Å²	112	88.4 Å²	88.4	73%	0.727	45%	0.449	S	S	*	.			trans	-101	177.9	174.4	38.9	-34.2	0	0	0	115.3
466	E	42.9	Very low	50.7	Low	126 Å²	126	89.5 Å²	89.5	59%	0.589	45%	0.453	S	S	*	.			trans	-100.8	-178.5	-169.6	-62	-175.6	109.8	0	0	115.7	G72	G72-E466 VanDerWaalsContact CA-O 3.25Å; G72-E466 WeakPolarHBondContact CA-O 3.43Å
467	L	46.8	Very low	51.3	Low	71 Å²	71	88.3 Å²	88.3	37%	0.372	45%	0.446	S	S	.	.			trans	-75.6	157.4	-167.6	-79.3	169.6	0	0	0	116.7	G72 W530 Y532	G72-L467 CarbonylContact O-C 3.6Å; L467-W530 HydrophobicContact CD1-CH2 3.86Å; L467-W530 HydrophobicContact CD1-CZ3 4.41Å; L467-Y532 HydrophobicContact CD1-CE2 4.33Å
468	P	46.8	Very low	52.2	Low	31 Å²	31	85.8 Å²	85.8	20%	0.201	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-55.5	-59.5	-173.9	-30.1	36.3	0	0	0	118.8	G72 I470	G72-P468 WeakPolarHBondContact O-CA 3.47Å; P468-I470 VanDerWaalsContact C-N 3.3Å; P468-I470 PolarHBondContact O-N 2.02Å
469	G	50.7	Low	53.5	Low	1 Å²	1	83.7 Å²	83.7	1%	0.01	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-78.4	-7.4	-158.5	0	0	0	0	0	115.3	N471 D521 G522 T523	G469-N471 PolarHBondContact O-N 3.07Å; G469-D521 WeakPolarHBondContact CA-O 3.36Å; G469-D521 PolarHBondContact N-O 3.48Å; G469-G522 CarbonylContact C-O 2.88Å; G469-G522 CarbonylContact O-C 3.48Å; G469-T523 VanDerWaalsContact O-CA 3.22Å; G469-T523 WeakPolarHBondContact O-CA 3.39Å; G469-T523 PolarHBondContact O-N 3.17Å
470	I	58.7	Low	54.5	Low	84 Å²	84	81.4 Å²	81.4	43%	0.431	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-57.1	-21.8	175.6	-55.9	173.1	0	0	0	110.9	P468 W530	P468-I470 VanDerWaalsContact C-N 3.3Å; P468-I470 PolarHBondContact O-N 2.02Å; I470-W530 HydrophobicContact CD1-CZ3 4.09Å; I470-W530 HydrophobicContact CG1-CE3 4.31Å; I470-W530 HydrophobicContact CG1-CZ3 4.06Å
471	N	49.6	Very low	55.7	Low	13 Å²	13	73 Å²	73	7%	0.07	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-106.2	-4.4	-159.7	-60.8	-27.3	0	0	0	114.7	P70 S71 G72 G469	P70-N471 WeakPolarHBondContact CB-OD1 3.34Å; P70-N471 WeakPolarHBondContact CD-OD1 3.04Å; P70-N471 WeakPolarHBondContact CG-OD1 3.36Å; P70-N471 PolarHBondContact O-ND2 3.07Å; S71-N471 PolarHBondContact O-ND2 3.4Å; G72-N471 PolarHBondContact N-ND2 2.77Å; G469-N471 PolarHBondContact O-N 3.07Å
472	Y	57.9	Low	56.6	Low	35 Å²	35	63.8 Å²	63.8	14%	0.137	33%	0.331	C	S	.	.	S	Bend	trans	-143.6	117.1	-174.6	-65.5	-94.4	0	0	0	108.8	S73 Q477 F480	S73-Y472 VanDerWaalsContact OG-CE2 3.28Å; S73-Y472 WeakPolarHBondContact OG-CE2 3.42Å; Y472-Q477 PolarHBondContact O-NE2 2.65Å; Y472-F480 HydrophobicContact CD1-CD2 4.28Å; Y472-F480 AromaticContact CD1-CE2 3.83Å; Y472-F480 HydrophobicContact CD1-CE2 3.83Å; Y472-F480 AromaticContact CE1-CE2 3.88Å; Y472-F480 HydrophobicContact CE1-CE2 3.88Å; Y472-F480 HydrophobicContact CE1-CZ 4.23Å
473	S	72.5	Confident	57.8	Low	51 Å²	51	58.3 Å²	58.3	36%	0.357	30%	0.295	S	S	.	.			trans	-73.5	167	178.2	65.3	0	0	0	0	112.6	D475 E476 Q477	S473-D475 VanDerWaalsContact C-N 3.28Å; S473-D475 PolarHBondContact O-N 2.03Å; S473-E476 VanDerWaalsContact CB-OE2 3.28Å; S473-E476 WeakPolarHBondContact CB-OE2 3.37Å; S473-E476 PolarHBondContact N-OE2 2.75Å; S473-E476 PolarHBondContact O-N 3.33Å; S473-E476 VanDerWaalsContact O-N 3.14Å; S473-E476 WeakPolarHBondContact OG-CG 3.39Å; S473-E476 PolarHBondContact OG-N 3.45Å; S473-E476 PolarHBondContact OG-OE2 3.29Å; S473-Q477 PolarHBondContact O-N 3.19Å
474	M	75.7	Confident	59.6	Low	19 Å²	19	53.4 Å²	53.4	9%	0.094	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.7	174.7	-68.9	-172	-179.3	0	0	113.2	E476 Q477 C478 I488 P497 L501 P519 T523 C525 C531	M474-E476 VanDerWaalsContact C-N 3.34Å; M474-Q477 CarbonylContact O-C 3.55Å; M474-Q477 VanDerWaalsContact O-C 3.28Å; M474-C478 VanDerWaalsContact O-CB 3.32Å; M474-C478 WeakPolarHBondContact O-CB 3.42Å; M474-C478 PolarHBondContact O-N 2.84Å; M474-C478 PolarHBondContact O-SG 3.49Å; M474-I488 HydrophobicContact CB-CD1 4.33Å; M474-I488 HydrophobicContact SD-CD1 4.09Å; M474-P497 HydrophobicContact CE-CB 4.13Å; M474-P497 HydrophobicContact CE-CG 4.11Å; M474-P497 HydrophobicContact SD-CB 3.93Å; M474-P497 HydrophobicContact SD-CG 4.27Å; M474-L501 HydrophobicContact CB-CD1 4.07Å; M474-L501 HydrophobicContact CB-CD2 4.14Å; M474-L501 HydrophobicContact CG-CD1 4.41Å; M474-L501 HydrophobicContact CG-CD2 4.36Å; M474-L501 HydrophobicContact SD-CD1 4.33Å; M474-P519 HydrophobicContact CE-CB 4.31Å; M474-P519 HydrophobicContact CE-CG 4.02Å; M474-T523 HydrophobicContact CE-CG2 4.12Å; M474-T523 HydrophobicContact CG-CG2 3.6Å; M474-C525 HydrophobicContact CE-CB 3.57Å; M474-C531 WeakPolarHBondContact CE-SG 3.3Å
475	D	75.4	Confident	60.8	Low	79 Å²	79	46.4 Å²	46.4	42%	0.422	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-26.5	174.6	-79.2	-37.6	0	0	0	111.9	S473 C478 R479 K487 I488	S473-D475 VanDerWaalsContact C-N 3.28Å; S473-D475 PolarHBondContact O-N 2.03Å; D475-C478 CarbonylContact O-C 3.53Å; D475-C478 PolarHBondContact O-N 3.29Å; D475-R479 WeakPolarHBondContact O-CB 3.05Å; D475-R479 PolarHBondContact O-N 3.16Å; D475-R479 VanDerWaalsContact O-N 3.16Å; D475-K487 WeakPolarHBondContact OD1-CB 3.5Å; D475-I488 WeakPolarHBondContact OD1-CG2 3.49Å; D475-I488 PolarHBondContact OD1-N 3.2Å
476	E	69.4	Low	62.8	Low	52 Å²	52	43.4 Å²	43.4	24%	0.243	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-75.7	-39.8	170.6	-71.1	162.3	125.1	0	0	111.4	S473 M474 C478 R479 F480	S473-E476 VanDerWaalsContact CB-OE2 3.28Å; S473-E476 WeakPolarHBondContact CB-OE2 3.37Å; S473-E476 PolarHBondContact N-OE2 2.75Å; S473-E476 PolarHBondContact O-N 3.33Å; S473-E476 VanDerWaalsContact O-N 3.14Å; S473-E476 WeakPolarHBondContact OG-CG 3.39Å; S473-E476 PolarHBondContact OG-N 3.45Å; S473-E476 PolarHBondContact OG-OE2 3.29Å; M474-E476 VanDerWaalsContact C-N 3.34Å; E476-C478 PolarHBondContact O-N 3.14Å; E476-R479 CarbonylContact O-C 3.59Å; E476-R479 WeakPolarHBondContact O-CA 3.08Å; E476-R479 WeakPolarHBondContact O-CB 3.45Å; E476-R479 PolarHBondContact O-N 3.19Å; E476-F480 HydrophobicContact CB-CD2 4.24Å; E476-F480 HydrophobicContact CB-CE2 4.25Å; E476-F480 VanDerWaalsContact O-CD2 3.31Å; E476-F480 WeakPolarHBondContact O-CD2 3.35Å; E476-F480 PolarHBondContact O-N 2.9Å
477	Q	72.4	Confident	64.8	Low	2 Å²	2	41.5 Å²	41.5	1%	0.009	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-76.4	15.1	165.8	-65.9	170.8	67.9	0	0	113.4	H48 Y472 S473 M474 D481 L501 P519 T523	H48-Q477 PolarHBondContact CE1-O 3.48Å; H48-Q477 PolarHBondContact ND1-O 2.95Å; Y472-Q477 PolarHBondContact O-NE2 2.65Å; S473-Q477 PolarHBondContact O-N 3.19Å; M474-Q477 CarbonylContact O-C 3.55Å; M474-Q477 VanDerWaalsContact O-C 3.28Å; Q477-D481 VanDerWaalsContact C-OD2 3.27Å; Q477-L501 HydrophobicContact CB-CD2 3.77Å; Q477-L501 WeakPolarHBondContact O-CD2 3.22Å; Q477-P519 VanDerWaalsContact OE1-CA 3.3Å; Q477-T523 PolarHBondContact NE2-OG1 3.43Å
478	C	70.7	Confident	66.5	Low	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-120.6	0.8	161.6	-77.4	0	0	0	0	111.2	M474 D475 E476 D481 F482 Y486 K487 I488 C503	M474-C478 VanDerWaalsContact O-CB 3.32Å; M474-C478 WeakPolarHBondContact O-CB 3.42Å; M474-C478 PolarHBondContact O-N 2.84Å; M474-C478 PolarHBondContact O-SG 3.49Å; D475-C478 CarbonylContact O-C 3.53Å; D475-C478 PolarHBondContact O-N 3.29Å; E476-C478 PolarHBondContact O-N 3.14Å; C478-D481 WeakPolarHBondContact CA-OD2 3.41Å; C478-D481 PolarHBondContact N-OD2 2.88Å; C478-F482 WeakPolarHBondContact O-CB 2.97Å; C478-Y486 CarbonylContact O-C 3.6Å; C478-Y486 VanDerWaalsContact O-C 3.27Å; C478-Y486 WeakPolarHBondContact O-CB 3.49Å; C478-K487 VanDerWaalsContact SG-C 3.56Å; C478-I488 WeakPolarHBondContact SG-CA 3.32Å; C478-I488 PolarHBondContact SG-N 2.73Å; C478-C503 VanDerWaalsContact CA-SG 3.52Å; C478-C503 HydrophobicContact CB-CB 3.57Å; C478-C503 WeakPolarHBondContact CB-SG 3.09Å; C478-C503 WeakPolarHBondContact SG-CB 3.41Å; C478-C503 CovalentContact SG-SG 2.02Å; C478-C503 PolarHBondContact SG-SG 3.4Å
479	R	73.8	Confident	68.2	Low	115 Å²	115	39.8 Å²	39.8	43%	0.434	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-51.3	-177	-177.6	-171.9	178.4	80.1	0.5	109.5	L52 D475 E476 D481 F482 G483	L52-R479 WeakPolarHBondContact CG-O 3.35Å; D475-R479 WeakPolarHBondContact O-CB 3.05Å; D475-R479 PolarHBondContact O-N 3.16Å; D475-R479 VanDerWaalsContact O-N 3.16Å; E476-R479 CarbonylContact O-C 3.59Å; E476-R479 WeakPolarHBondContact O-CA 3.08Å; E476-R479 WeakPolarHBondContact O-CB 3.45Å; E476-R479 PolarHBondContact O-N 3.19Å; R479-D481 PolarHBondContact O-N 2.83Å; R479-F482 PolarHBondContact O-N 3.49Å; R479-G483 WeakPolarHBondContact CA-O 3.44Å; R479-G483 VanDerWaalsContact CG-O 3.31Å; R479-G483 WeakPolarHBondContact CG-O 3.27Å; R479-G483 CarbonylContact O-C 3.49Å; R479-G483 WeakPolarHBondContact O-CA 3.48Å; R479-G483 PolarHBondContact O-N 2.77Å; R479-G483 VanDerWaalsContact O-N 3.12Å
480	F	64.4	Low	69.3	Low	77 Å²	77	44.5 Å²	44.5	34%	0.338	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-33	177.1	-74.6	-77.7	0	0	0	110.7	T45 D46 L52 Y472 E476	T45-F480 CarbonylContact C-O 3.54Å; T45-F480 WeakPolarHBondContact CA-O 3.16Å; D46-F480 HydrophobicContact CB-CB 3.64Å; D46-F480 PolarHBondContact N-O 2.77Å; D46-F480 VanDerWaalsContact N-O 3.17Å; D46-F480 VanDerWaalsContact OD1-C 3.26Å; D46-F480 WeakPolarHBondContact OD1-CA 3.31Å; D46-F480 WeakPolarHBondContact OD1-CB 3.48Å; L52-F480 VanDerWaalsContact CB-O 3.24Å; L52-F480 WeakPolarHBondContact CB-O 3.45Å; L52-F480 HydrophobicContact CD1-CB 4.41Å; L52-F480 HydrophobicContact CD1-CD1 3.94Å; L52-F480 VanDerWaalsContact CD1-O 3.27Å; L52-F480 WeakPolarHBondContact CD1-O 3.32Å; L52-F480 WeakPolarHBondContact CG-O 3.39Å; Y472-F480 HydrophobicContact CD1-CD2 4.28Å; Y472-F480 AromaticContact CD1-CE2 3.83Å; Y472-F480 HydrophobicContact CD1-CE2 3.83Å; Y472-F480 AromaticContact CE1-CE2 3.88Å; Y472-F480 HydrophobicContact CE1-CE2 3.88Å; Y472-F480 HydrophobicContact CE1-CZ 4.23Å; E476-F480 HydrophobicContact CB-CD2 4.24Å; E476-F480 HydrophobicContact CB-CE2 4.25Å; E476-F480 VanDerWaalsContact O-CD2 3.31Å; E476-F480 WeakPolarHBondContact O-CD2 3.35Å; E476-F480 PolarHBondContact O-N 2.9Å
481	D	56.9	Low	69.8	Low	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-24.1	175.6	21.6	-139.8	0	0	0	118.5	T45 D46 S47 H48 G49 H50 Q477 C478 R479	T45-D481 WeakPolarHBondContact CG2-O 3.48Å; D46-D481 HydrophobicContact CB-CB 4.19Å; D46-D481 VanDerWaalsContact CG-OD1 3.24Å; D46-D481 WeakPolarHBondContact O-CB 3.15Å; D46-D481 PolarHBondContact OD1-N 2.93Å; D46-D481 VanDerWaalsContact OD1-OD1 3.05Å; S47-D481 PolarHBondContact N-OD1 2.67Å; S47-D481 PolarHBondContact OG-OD1 2.79Å; S47-D481 VanDerWaalsContact OG-OD1 3.1Å; H48-D481 HydrophobicContact CB-CB 4.13Å; H48-D481 WeakPolarHBondContact CB-OD1 3.38Å; H48-D481 CovalentContact CE1-OD1 1.79Å; H48-D481 IonicContact CE1-OD1 2.91Å; H48-D481 PolarHBondContact CE1-OD1 2.9Å; H48-D481 IonicContact CE1-OD2 2.86Å; H48-D481 PolarHBondContact CE1-OD2 3.16Å; H48-D481 VanDerWaalsContact CE1-OD2 3.24Å; H48-D481 IonicContact CG-OD1 2.73Å; H48-D481 PolarHBondContact N-OD1 2.83Å; H48-D481 IonicContact ND1-OD1 3.42Å; H48-D481 PolarHBondContact ND1-OD1 2.87Å; G49-D481 CarbonylContact C-O 3.46Å; G49-D481 VanDerWaalsContact CA-O 3.31Å; G49-D481 WeakPolarHBondContact CA-O 3.31Å; G49-D481 PolarHBondContact N-O 2.78Å; H50-D481 CarbonylContact C-O 3.6Å; H50-D481 PolarHBondContact N-O 2.71Å; H50-D481 VanDerWaalsContact N-O 3.12Å; Q477-D481 VanDerWaalsContact C-OD2 3.27Å; C478-D481 WeakPolarHBondContact CA-OD2 3.41Å; C478-D481 PolarHBondContact N-OD2 2.88Å; R479-D481 PolarHBondContact O-N 2.83Å
482	F	66.2	Low	70.4	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	-43.7	-131.5	-99.3	-0.8	0	0	0	109.9	H48 G49 H50 Y51 C478 R479 Y486 C503 K513	H48-F482 VanDerWaalsContact C-CD1 3.48Å; H48-F482 HydrophobicContact CB-CD1 3.85Å; H48-F482 HydrophobicContact CB-CD2 3.86Å; H48-F482 HydrophobicContact CB-CE1 3.39Å; H48-F482 HydrophobicContact CB-CE2 3.32Å; H48-F482 HydrophobicContact CB-CG 4.21Å; H48-F482 HydrophobicContact CB-CZ 3.16Å; H48-F482 WeakPolarHBondContact O-CE1 3.39Å; G49-F482 VanDerWaalsContact N-CD1 3.28Å; G49-F482 VanDerWaalsContact N-CE1 3.32Å; H50-F482 HydrophobicContact CB-CD1 4.13Å; H50-F482 HydrophobicContact CB-CE1 4.36Å; H50-F482 AromaticContact CD2-CD1 3.38Å; H50-F482 WeakPolarHBondContact CD2-CD1 3.41Å; H50-F482 AromaticContact CD2-CE1 2.97Å; H50-F482 WeakPolarHBondContact CD2-CE1 3.3Å; H50-F482 AromaticContact CD2-CZ 3.5Å; H50-F482 VanDerWaalsContact CD2-CZ 3.5Å; H50-F482 WeakPolarHBondContact CD2-CZ 3.47Å; H50-F482 VanDerWaalsContact CE1-CB 3.45Å; H50-F482 WeakPolarHBondContact CE1-CB 3.22Å; H50-F482 AromaticContact CE1-CD1 3.25Å; H50-F482 WeakPolarHBondContact CE1-CD1 3.38Å; H50-F482 AromaticContact CE1-CD2 3.44Å; H50-F482 VanDerWaalsContact CE1-CD2 3.44Å; H50-F482 WeakPolarHBondContact CE1-CD2 3.36Å; H50-F482 AromaticContact CE1-CE1 3.42Å; H50-F482 VanDerWaalsContact CE1-CE1 3.42Å; H50-F482 WeakPolarHBondContact CE1-CE1 3.18Å; H50-F482 AromaticContact CE1-CE2 3.66Å; H50-F482 AromaticContact CE1-CG 3.12Å; H50-F482 WeakPolarHBondContact CE1-CG 3.44Å; H50-F482 AromaticContact CE1-CZ 3.57Å; H50-F482 AromaticContact CG-CD1 3.28Å; H50-F482 AromaticContact CG-CE1 3.42Å; H50-F482 VanDerWaalsContact CG-CE1 3.42Å; H50-F482 AromaticContact CG-CG 3.9Å; H50-F482 VanDerWaalsContact N-CE1 3.28Å; H50-F482 VanDerWaalsContact ND1-C 3.32Å; H50-F482 WeakPolarHBondContact ND1-CA 3.41Å; H50-F482 VanDerWaalsContact ND1-CB 3.33Å; H50-F482 WeakPolarHBondContact ND1-CB 3.45Å; H50-F482 AromaticContact ND1-CD1 3.25Å; H50-F482 WeakPolarHBondContact ND1-CD1 3.31Å; H50-F482 AromaticContact ND1-CE1 3.71Å; H50-F482 AromaticContact ND1-CG 3.34Å; H50-F482 VanDerWaalsContact ND1-CG 3.34Å; H50-F482 WeakPolarHBondContact ND1-CG 3.39Å; H50-F482 PolarHBondContact ND1-O 2.86Å; H50-F482 AromaticContact NE2-CD1 3.43Å; H50-F482 WeakPolarHBondContact NE2-CD1 3.49Å; H50-F482 AromaticContact NE2-CD2 3.84Å; H50-F482 AromaticContact NE2-CE1 3.05Å; H50-F482 WeakPolarHBondContact NE2-CE1 3.3Å; H50-F482 AromaticContact NE2-CE2 3.56Å; H50-F482 AromaticContact NE2-CG 3.69Å; H50-F482 AromaticContact NE2-CZ 3.06Å; H50-F482 WeakPolarHBondContact NE2-CZ 3.4Å; Y51-F482 CarbonylContact C-O 3.47Å; Y51-F482 PolarHBondContact N-O 3.02Å; C478-F482 WeakPolarHBondContact O-CB 2.97Å; R479-F482 PolarHBondContact O-N 3.49Å; F482-Y486 HydrophobicContact CB-CG 4.37Å; F482-Y486 WeakPolarHBondContact O-CD2 3.08Å; F482-Y486 WeakPolarHBondContact O-CE2 3.05Å; F482-C503 HydrophobicContact CD2-CB 3.22Å; F482-C503 WeakPolarHBondContact CD2-SG 3.05Å; F482-C503 HydrophobicContact CE2-CB 3.36Å; F482-C503 WeakPolarHBondContact CE2-SG 3.38Å; F482-C503 HydrophobicContact CG-CB 4.39Å; F482-K513 HydrophobicContact CZ-CB 4.32Å; F482-K513 WeakPolarHBondContact CZ-O 3.39Å
483	G	57.6	Low	70.3	Confident	2 Å²	2	56.7 Å²	56.7	2%	0.021	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	166.1	165.1	145.7	0	0	0	0	0	116.7	Y51 R479 G485 Y486	Y51-G483 WeakPolarHBondContact O-CA 3.45Å; R479-G483 WeakPolarHBondContact CA-O 3.44Å; R479-G483 VanDerWaalsContact CG-O 3.31Å; R479-G483 WeakPolarHBondContact CG-O 3.27Å; R479-G483 CarbonylContact O-C 3.49Å; R479-G483 WeakPolarHBondContact O-CA 3.48Å; R479-G483 PolarHBondContact O-N 2.77Å; R479-G483 VanDerWaalsContact O-N 3.12Å; G483-G485 PolarHBondContact O-N 2.76Å; G483-Y486 PolarHBondContact O-N 3.13Å; G483-Y486 VanDerWaalsContact O-N 3.09Å
484	V	66.2	Low	69.5	Low	80 Å²	80	57 Å²	57	49%	0.485	28%	0.28	S	S	.	.	S	Bend	trans	-63.2	71.4	162.5	-67.8	0	0	0	0	111.4	L52	L52-V484 HydrophobicContact CD2-CG1 3.74Å; L52-V484 WeakPolarHBondContact O-CG1 3.48Å; L52-V484 WeakPolarHBondContact O-CG2 3.41Å; L52-V484 PolarHBondContact O-N 2.89Å
485	G	64.2	Low	68.5	Low	23 Å²	23	66.6 Å²	66.6	24%	0.237	32%	0.321	C	S	.	.	S	Bend	trans	152.4	-36.1	-175.1	0	0	0	0	0	112.6	G483 P506	G483-G485 PolarHBondContact O-N 2.76Å; G485-P506 WeakPolarHBondContact O-CD 3.28Å; G485-P506 WeakPolarHBondContact O-CG 3.4Å
486	Y	80.3	Confident	68.2	Low	50 Å²	50	64.7 Å²	64.7	20%	0.196	31%	0.311	C	S	.	.			trans	-66.8	153.4	177.3	-73.2	-102.8	0	0	0	111.7	H50 C478 F482 G483 S504 H505	H50-Y486 AromaticContact CE1-CD1 3.01Å; H50-Y486 WeakPolarHBondContact CE1-CD1 3.44Å; H50-Y486 AromaticContact CE1-CE1 3.09Å; H50-Y486 WeakPolarHBondContact CE1-CE1 3.25Å; H50-Y486 AromaticContact CE1-CG 3.66Å; H50-Y486 AromaticContact CE1-CZ 3.79Å; H50-Y486 AromaticContact ND1-CD1 3.35Å; H50-Y486 VanDerWaalsContact ND1-CD1 3.35Å; H50-Y486 WeakPolarHBondContact ND1-CD1 3.21Å; H50-Y486 AromaticContact ND1-CD2 3.82Å; H50-Y486 AromaticContact ND1-CE1 3.23Å; H50-Y486 WeakPolarHBondContact ND1-CE1 3.42Å; H50-Y486 AromaticContact ND1-CE2 3.72Å; H50-Y486 AromaticContact ND1-CG 3.63Å; H50-Y486 AromaticContact ND1-CZ 3.4Å; H50-Y486 AromaticContact NE2-CE1 3.82Å; C478-Y486 CarbonylContact O-C 3.6Å; C478-Y486 VanDerWaalsContact O-C 3.27Å; C478-Y486 WeakPolarHBondContact O-CB 3.49Å; F482-Y486 HydrophobicContact CB-CG 4.37Å; F482-Y486 WeakPolarHBondContact O-CD2 3.08Å; F482-Y486 WeakPolarHBondContact O-CE2 3.05Å; G483-Y486 PolarHBondContact O-N 3.13Å; G483-Y486 VanDerWaalsContact O-N 3.09Å; Y486-S504 WeakPolarHBondContact CA-O 3.49Å; Y486-S504 WeakPolarHBondContact CD1-O 3.25Å; Y486-H505 HydrophobicContact CD1-CB 3.94Å; Y486-H505 HydrophobicContact CD2-CB 4.25Å; Y486-H505 AromaticContact CD2-CD2 3.19Å; Y486-H505 WeakPolarHBondContact CD2-CD2 3.26Å; Y486-H505 HydrophobicContact CE1-CB 3.69Å; Y486-H505 HydrophobicContact CE2-CB 4.02Å; Y486-H505 AromaticContact CE2-CD2 3.43Å; Y486-H505 VanDerWaalsContact CE2-CD2 3.43Å; Y486-H505 WeakPolarHBondContact CE2-CD2 3.46Å; Y486-H505 AromaticContact CE2-CG 3.87Å; Y486-H505 HydrophobicContact CG-CB 4.24Å; Y486-H505 AromaticContact CG-CD2 3.69Å
487	K	83.7	Confident	68.3	Low	85 Å²	85	63.5 Å²	63.5	37%	0.37	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	171	-172	61.3	176.2	-177.1	178.7	0	109.5	D475 C478 C489 C503 S504	D475-K487 WeakPolarHBondContact OD1-CB 3.5Å; C478-K487 VanDerWaalsContact SG-C 3.56Å; K487-C489 PolarHBondContact O-N 2.93Å; K487-C503 CarbonylContact O-C 3.54Å; K487-C503 WeakPolarHBondContact O-CA 3.21Å; K487-C503 WeakPolarHBondContact O-CB 3.28Å; K487-S504 PolarHBondContact N-O 2.76Å; K487-S504 PolarHBondContact O-N 3.39Å
488	I	83.4	Confident	68.5	Low	52 Å²	52	63.4 Å²	63.4	27%	0.267	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	139.8	-175.7	-162.5	166.8	0	0	0	112.7	M474 D475 C478 T490 L501	M474-I488 HydrophobicContact CB-CD1 4.33Å; M474-I488 HydrophobicContact SD-CD1 4.09Å; D475-I488 WeakPolarHBondContact OD1-CG2 3.49Å; D475-I488 PolarHBondContact OD1-N 3.2Å; C478-I488 WeakPolarHBondContact SG-CA 3.32Å; C478-I488 PolarHBondContact SG-N 2.73Å; I488-T490 PolarHBondContact O-N 3.11Å; I488-L501 HydrophobicContact CB-CD1 4.44Å; I488-L501 HydrophobicContact CD1-CD1 3.64Å; I488-L501 HydrophobicContact CG1-CD1 3.72Å
489	C	82.5	Confident	68.7	Low	14 Å²	14	69.6 Å²	69.6	10%	0.095	33%	0.334	C	S	.	.			trans	-65.3	114.2	-176.7	173.5	0	0	0	0	110	K487 W502 C512	K487-C489 PolarHBondContact O-N 2.93Å; C489-W502 HydrophobicContact CB-CB 3.82Å; C489-W502 WeakPolarHBondContact CB-O 3.26Å; C489-W502 PolarHBondContact N-O 3.42Å; C489-C512 HydrophobicContact CB-CB 3.64Å; C489-C512 WeakPolarHBondContact CB-SG 3.42Å; C489-C512 WeakPolarHBondContact SG-CB 3.49Å; C489-C512 CovalentContact SG-SG 2.03Å; C489-C512 PolarHBondContact SG-SG 3.05Å
490	T	73.6	Confident	68.8	Low	101 Å²	101	67 Å²	67	62%	0.62	33%	0.327	S	S	*	.			trans	-94.4	-7.9	174.1	55.5	0	0	0	0	113.2	I488	I488-T490 PolarHBondContact O-N 3.11Å
491	S	68.4	Low	69.5	Low	51 Å²	51	63.4 Å²	63.4	36%	0.357	31%	0.311	S	S	.	.	S	Bend	trans	-78.3	-21.6	-173.8	-167.9	0	0	0	0	114.9	P509	S491-P509 WeakPolarHBondContact CB-O 3.34Å
492	F	63.2	Low	70.7	Confident	95 Å²	95	67 Å²	67	42%	0.417	33%	0.325	S	S	.	.	S	Bend	trans	-143.8	140.2	166.6	55	-100.7	0	0	0	109.7	T494 W502 C512	F492-T494 HydrophobicContact CD2-CG2 4.24Å; F492-T494 HydrophobicContact CE2-CG2 4.08Å; F492-T494 PolarHBondContact O-N 2.97Å; F492-W502 HydrophobicContact CE2-CB 4.5Å; F492-W502 HydrophobicContact CE2-CD2 4.02Å; F492-W502 HydrophobicContact CE2-CE3 4.24Å; F492-W502 HydrophobicContact CE2-CG 4.15Å; F492-W502 AromaticContact CZ-CD2 3.89Å; F492-W502 HydrophobicContact CZ-CD2 3.89Å; F492-W502 AromaticContact CZ-CE3 3.63Å; F492-W502 HydrophobicContact CZ-CE3 3.63Å; F492-W502 HydrophobicContact CZ-CG 4.34Å; F492-W502 HydrophobicContact CZ-CZ3 4.06Å; F492-C512 HydrophobicContact CE1-CB 3.73Å; F492-C512 HydrophobicContact CZ-CB 4.03Å
493	R	55.4	Low	71.7	Confident	242 Å²	242	66.9 Å²	66.9	91%	0.913	33%	0.325	S	S	*	.			trans	-86.7	111.7	178.3	-71.6	-172.4	175.8	-163.6	-1.4	110.2
494	T	56	Low	73	Confident	58 Å²	58	66.8 Å²	66.8	36%	0.356	32%	0.324	S	S	.	.			trans	-70.2	144.5	161.9	50.9	0	0	0	0	109.8	F492 W502	F492-T494 HydrophobicContact CD2-CG2 4.24Å; F492-T494 HydrophobicContact CE2-CG2 4.08Å; F492-T494 PolarHBondContact O-N 2.97Å; T494-W502 HydrophobicContact CG2-CG 4.41Å
495	F	55.1	Low	73.9	Confident	220 Å²	220	65.3 Å²	65.3	97%	0.965	31%	0.311	S	S	*	.	S	Bend	trans	-82.7	-15.5	-175.2	-119.2	-85.3	0	0	0	113.9
496	D	68.9	Low	74.3	Confident	38 Å²	38	67 Å²	67	20%	0.203	32%	0.318	C	S	.	.			trans	-149.3	102.6	174.1	-177.1	-0.7	0	0	0	108.1	C498 K499 H535	D496-C498 PolarHBondContact O-N 2.92Å; D496-C498 WeakPolarHBondContact OD1-CB 3.49Å; D496-C498 PolarHBondContact OD1-N 3.39Å; D496-K499 HydrophobicContact CB-CD 4.18Å; D496-K499 HydrophobicContact CB-CG 4.29Å; D496-K499 PolarHBondContact O-N 3.41Å; D496-K499 VanDerWaalsContact OD2-CE 3.22Å; D496-K499 WeakPolarHBondContact OD2-CE 3.45Å; D496-H535 IonicContact OD2-ND1 3.16Å
497	P	70.9	Confident	74	Confident	28 Å²	28	71.3 Å²	71.3	18%	0.182	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.8	-176	30.6	-35.8	0	0	0	113	M474 K499 C525	M474-P497 HydrophobicContact CE-CB 4.13Å; M474-P497 HydrophobicContact CE-CG 4.11Å; M474-P497 HydrophobicContact SD-CB 3.93Å; M474-P497 HydrophobicContact SD-CG 4.27Å; P497-K499 VanDerWaalsContact C-N 3.3Å; P497-K499 PolarHBondContact O-N 3.02Å; P497-C525 HydrophobicContact CG-CB 4.37Å
498	C	77.5	Confident	73.3	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.8	178.5	-68	0	0	0	0	114.1	D496 P518 P519 C525 C531 G534 C536	D496-C498 PolarHBondContact O-N 2.92Å; D496-C498 WeakPolarHBondContact OD1-CB 3.49Å; D496-C498 PolarHBondContact OD1-N 3.39Å; C498-P518 WeakPolarHBondContact O-CB 3.38Å; C498-P519 WeakPolarHBondContact O-CD 3.05Å; C498-C525 WeakPolarHBondContact SG-CB 3.39Å; C498-C525 VanDerWaalsContact SG-SG 3.63Å; C498-C531 WeakPolarHBondContact CA-SG 3.33Å; C498-C531 HydrophobicContact CB-CB 3.7Å; C498-C531 WeakPolarHBondContact CB-SG 3.47Å; C498-C531 WeakPolarHBondContact SG-CA 3.38Å; C498-C531 WeakPolarHBondContact SG-CB 3.43Å; C498-C531 CovalentContact SG-SG 2.04Å; C498-C531 PolarHBondContact SG-SG 3.12Å; C498-G534 CarbonylContact C-O 3.58Å; C498-G534 VanDerWaalsContact C-O 3.26Å; C498-G534 CarbonylContact O-C 3.58Å; C498-G534 VanDerWaalsContact O-CA 3.25Å; C498-G534 WeakPolarHBondContact O-CA 3.48Å; C498-C536 HydrophobicContact CB-CB 4.27Å; C498-C536 WeakPolarHBondContact SG-CA 2.8Å; C498-C536 VanDerWaalsContact SG-CB 3.52Å
499	K	74.1	Confident	72.4	Confident	130 Å²	130	71 Å²	71	57%	0.565	35%	0.35	S	S	*	.	S	Bend	trans	-76.8	-38.8	179.6	-70.4	-178.7	178.2	-178.8	0	112.3	D496 P497 G534	D496-K499 HydrophobicContact CB-CD 4.18Å; D496-K499 HydrophobicContact CB-CG 4.29Å; D496-K499 PolarHBondContact O-N 3.41Å; D496-K499 VanDerWaalsContact OD2-CE 3.22Å; D496-K499 WeakPolarHBondContact OD2-CE 3.45Å; P497-K499 VanDerWaalsContact C-N 3.3Å; P497-K499 PolarHBondContact O-N 3.02Å; K499-G534 WeakPolarHBondContact CA-O 3.31Å; K499-G534 WeakPolarHBondContact CG-O 3.43Å; K499-G534 PolarHBondContact N-O 3.12Å
500	Q	75.9	Confident	71.9	Confident	61 Å²	61	79.3 Å²	79.3	29%	0.285	38%	0.381	S	S	.	.			trans	-164.8	129.4	178.8	-170.4	150.9	24.6	0	0	108.3	W502 T514 K515	Q500-W502 VanDerWaalsContact O-CD1 3.27Å; Q500-T514 HydrophobicContact CG-CG2 4.13Å; Q500-T514 WeakPolarHBondContact CG-OG1 3.3Å; Q500-T514 PolarHBondContact NE2-OG1 2.99Å; Q500-K515 PolarHBondContact NE2-O 3.15Å
501	L	79.1	Confident	72.1	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.005	38%	0.376	C	S	.	.			trans	-94.5	136.8	-178.4	167.6	66.2	0	0	0	109.9	H48 M474 Q477 I488 T514 P519	H48-L501 PolarHBondContact CD2-O 2.94Å; H48-L501 VanDerWaalsContact CD2-O 3.23Å; H48-L501 WeakPolarHBondContact NE2-CD2 3.12Å; M474-L501 HydrophobicContact CB-CD1 4.07Å; M474-L501 HydrophobicContact CB-CD2 4.14Å; M474-L501 HydrophobicContact CG-CD1 4.41Å; M474-L501 HydrophobicContact CG-CD2 4.36Å; M474-L501 HydrophobicContact SD-CD1 4.33Å; Q477-L501 HydrophobicContact CB-CD2 3.77Å; Q477-L501 WeakPolarHBondContact O-CD2 3.22Å; I488-L501 HydrophobicContact CB-CD1 4.44Å; I488-L501 HydrophobicContact CD1-CD1 3.64Å; I488-L501 HydrophobicContact CG1-CD1 3.72Å; L501-T514 VanDerWaalsContact O-CB 3.32Å; L501-T514 WeakPolarHBondContact O-CB 3.42Å; L501-T514 PolarHBondContact O-OG1 2.88Å; L501-P519 HydrophobicContact CB-CG 3.68Å; L501-P519 HydrophobicContact CD2-CG 4.05Å; L501-P519 HydrophobicContact CG-CG 4.44Å
502	W	83.2	Confident	72.5	Confident	74 Å²	74	78.5 Å²	78.5	28%	0.28	36%	0.364	S	S	.	.			trans	-125.1	134.1	-172.7	-70	81.7	0	0	0	107.8	C489 F492 T494 Q500 K513 T514	C489-W502 HydrophobicContact CB-CB 3.82Å; C489-W502 WeakPolarHBondContact CB-O 3.26Å; C489-W502 PolarHBondContact N-O 3.42Å; F492-W502 HydrophobicContact CE2-CB 4.5Å; F492-W502 HydrophobicContact CE2-CD2 4.02Å; F492-W502 HydrophobicContact CE2-CE3 4.24Å; F492-W502 HydrophobicContact CE2-CG 4.15Å; F492-W502 AromaticContact CZ-CD2 3.89Å; F492-W502 HydrophobicContact CZ-CD2 3.89Å; F492-W502 AromaticContact CZ-CE3 3.63Å; F492-W502 HydrophobicContact CZ-CE3 3.63Å; F492-W502 HydrophobicContact CZ-CG 4.34Å; F492-W502 HydrophobicContact CZ-CZ3 4.06Å; T494-W502 HydrophobicContact CG2-CG 4.41Å; Q500-W502 VanDerWaalsContact O-CD1 3.27Å; W502-K513 WeakPolarHBondContact CA-O 3.39Å; W502-T514 HydrophobicContact CD2-CG2 3.92Å; W502-T514 HydrophobicContact CE3-CG2 3.83Å; W502-T514 HydrophobicContact CH2-CG2 3.5Å; W502-T514 HydrophobicContact CZ2-CG2 3.56Å; W502-T514 HydrophobicContact CZ3-CG2 3.63Å
503	C	86.6	Confident	72.9	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.6	-171.8	-42.2	0	0	0	0	111.7	C478 F482 K487 C512 K513	C478-C503 VanDerWaalsContact CA-SG 3.52Å; C478-C503 HydrophobicContact CB-CB 3.57Å; C478-C503 WeakPolarHBondContact CB-SG 3.09Å; C478-C503 WeakPolarHBondContact SG-CB 3.41Å; C478-C503 CovalentContact SG-SG 2.02Å; C478-C503 PolarHBondContact SG-SG 3.4Å; F482-C503 HydrophobicContact CD2-CB 3.22Å; F482-C503 WeakPolarHBondContact CD2-SG 3.05Å; F482-C503 HydrophobicContact CE2-CB 3.36Å; F482-C503 WeakPolarHBondContact CE2-SG 3.38Å; F482-C503 HydrophobicContact CG-CB 4.39Å; K487-C503 CarbonylContact O-C 3.54Å; K487-C503 WeakPolarHBondContact O-CA 3.21Å; K487-C503 WeakPolarHBondContact O-CB 3.28Å; C503-C512 VanDerWaalsContact O-CA 3.24Å; C503-C512 WeakPolarHBondContact O-CA 3.48Å; C503-K513 PolarHBondContact N-O 3.31Å; C503-K513 PolarHBondContact O-N 2.92Å
504	S	85.1	Confident	73.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	152.9	-169.7	59.8	0	0	0	0	111.6	Y486 K487	Y486-S504 WeakPolarHBondContact CA-O 3.49Å; Y486-S504 WeakPolarHBondContact CD1-O 3.25Å; K487-S504 PolarHBondContact N-O 2.76Å; K487-S504 PolarHBondContact O-N 3.39Å
505	H	85.5	Confident	73.6	Confident	49 Å²	49	65.9 Å²	65.9	23%	0.227	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	144.9	176.3	-152.5	-120.8	0	0	0	110.6	Y486 D507 N508 P509	Y486-H505 HydrophobicContact CD1-CB 3.94Å; Y486-H505 HydrophobicContact CD2-CB 4.25Å; Y486-H505 AromaticContact CD2-CD2 3.19Å; Y486-H505 WeakPolarHBondContact CD2-CD2 3.26Å; Y486-H505 HydrophobicContact CE1-CB 3.69Å; Y486-H505 HydrophobicContact CE2-CB 4.02Å; Y486-H505 AromaticContact CE2-CD2 3.43Å; Y486-H505 VanDerWaalsContact CE2-CD2 3.43Å; Y486-H505 WeakPolarHBondContact CE2-CD2 3.46Å; Y486-H505 AromaticContact CE2-CG 3.87Å; Y486-H505 HydrophobicContact CG-CB 4.24Å; Y486-H505 AromaticContact CG-CD2 3.69Å; H505-D507 IonicContact CE1-OD2 3.35Å; H505-D507 PolarHBondContact CE1-OD2 3.28Å; H505-D507 IonicContact ND1-OD2 2.8Å; H505-D507 PolarHBondContact ND1-OD2 3.03Å; H505-D507 PolarHBondContact O-N 3.27Å; H505-N508 CarbonylContact O-C 3.51Å; H505-N508 PolarHBondContact O-N 3.27Å; H505-N508 VanDerWaalsContact O-N 3.16Å; H505-P509 VanDerWaalsContact O-CA 3.31Å; H505-P509 WeakPolarHBondContact O-CA 3.23Å
506	P	72.7	Confident	73.1	Confident	59 Å²	59	60.7 Å²	60.7	38%	0.383	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.3	-179.8	-22.9	35.4	0	0	0	113	G485	G485-P506 WeakPolarHBondContact O-CD 3.28Å; G485-P506 WeakPolarHBondContact O-CG 3.4Å
507	D	72.9	Confident	72.5	Confident	139 Å²	139	59.2 Å²	59.2	74%	0.743	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.9	-178.7	-49.1	-44.4	0	0	0	113.5	H505	H505-D507 IonicContact CE1-OD2 3.35Å; H505-D507 PolarHBondContact CE1-OD2 3.28Å; H505-D507 IonicContact ND1-OD2 2.8Å; H505-D507 PolarHBondContact ND1-OD2 3.03Å; H505-D507 PolarHBondContact O-N 3.27Å
508	N	68.3	Low	72.2	Confident	89 Å²	89	60.7 Å²	60.7	48%	0.476	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	70.4	171.8	-167.4	-3.1	0	0	0	110.5	H505 Y510 F511	H505-N508 CarbonylContact O-C 3.51Å; H505-N508 PolarHBondContact O-N 3.27Å; H505-N508 VanDerWaalsContact O-N 3.16Å; N508-Y510 PolarHBondContact O-N 2.84Å; N508-Y510 VanDerWaalsContact O-N 3.15Å; N508-F511 PolarHBondContact O-N 3.46Å; N508-F511 VanDerWaalsContact O-N 3.15Å
509	P	66.2	Low	72.1	Confident	42 Å²	42	60.8 Å²	60.8	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-11.7	-166.9	29.8	-36.1	0	0	0	113.6	S491 H505 F511	S491-P509 WeakPolarHBondContact CB-O 3.34Å; H505-P509 VanDerWaalsContact O-CA 3.31Å; H505-P509 WeakPolarHBondContact O-CA 3.23Å; P509-F511 VanDerWaalsContact C-N 3.33Å
510	Y	71.2	Confident	72.1	Confident	189 Å²	189	56.6 Å²	56.6	74%	0.741	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	-15.6	175.9	-60.6	-74.2	0	0	0	113.1	N508	N508-Y510 PolarHBondContact O-N 2.84Å; N508-Y510 VanDerWaalsContact O-N 3.15Å
511	F	76.8	Confident	71.6	Confident	119 Å²	119	55.6 Å²	55.6	52%	0.522	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	97.9	179.4	-169.2	-140.9	0	0	0	110.4	N508 P509 K513	N508-F511 PolarHBondContact O-N 3.46Å; N508-F511 VanDerWaalsContact O-N 3.15Å; P509-F511 VanDerWaalsContact C-N 3.33Å; F511-K513 HydrophobicContact CE1-CD 4.47Å; F511-K513 VanDerWaalsContact CZ-CE 3.49Å
512	C	77.6	Confident	71	Confident	15 Å²	15	55.7 Å²	55.7	10%	0.101	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	147.7	177.7	-56	0	0	0	0	112.2	C489 F492 C503	C489-C512 HydrophobicContact CB-CB 3.64Å; C489-C512 WeakPolarHBondContact CB-SG 3.42Å; C489-C512 WeakPolarHBondContact SG-CB 3.49Å; C489-C512 CovalentContact SG-SG 2.03Å; C489-C512 PolarHBondContact SG-SG 3.05Å; F492-C512 HydrophobicContact CE1-CB 3.73Å; F492-C512 HydrophobicContact CZ-CB 4.03Å; C503-C512 VanDerWaalsContact O-CA 3.24Å; C503-C512 WeakPolarHBondContact O-CA 3.48Å
513	K	71.2	Confident	70.8	Confident	73 Å²	73	52.2 Å²	52.2	32%	0.317	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	172.1	-179.9	-61.5	168.5	176.3	179.4	0	111.2	H50 F482 W502 C503 F511	H50-K513 WeakPolarHBondContact CD2-CD 3.22Å; H50-K513 WeakPolarHBondContact NE2-CB 3.41Å; F482-K513 HydrophobicContact CZ-CB 4.32Å; F482-K513 WeakPolarHBondContact CZ-O 3.39Å; W502-K513 WeakPolarHBondContact CA-O 3.39Å; C503-K513 PolarHBondContact N-O 3.31Å; C503-K513 PolarHBondContact O-N 2.92Å; F511-K513 HydrophobicContact CE1-CD 4.47Å; F511-K513 VanDerWaalsContact CZ-CE 3.49Å
514	T	69.2	Low	70.3	Confident	31 Å²	31	57.3 Å²	57.3	19%	0.19	29%	0.286	C	S	.	.			trans	-157.9	161.9	177.3	-167	0	0	0	0	110.2	H48 Q500 L501 W502	H48-T514 PolarHBondContact CD2-OG1 3.36Å; Q500-T514 HydrophobicContact CG-CG2 4.13Å; Q500-T514 WeakPolarHBondContact CG-OG1 3.3Å; Q500-T514 PolarHBondContact NE2-OG1 2.99Å; L501-T514 VanDerWaalsContact O-CB 3.32Å; L501-T514 WeakPolarHBondContact O-CB 3.42Å; L501-T514 PolarHBondContact O-OG1 2.88Å; W502-T514 HydrophobicContact CD2-CG2 3.92Å; W502-T514 HydrophobicContact CE3-CG2 3.83Å; W502-T514 HydrophobicContact CH2-CG2 3.5Å; W502-T514 HydrophobicContact CZ2-CG2 3.56Å; W502-T514 HydrophobicContact CZ3-CG2 3.63Å
515	K	57.2	Low	70	Confident	27 Å²	27	58.4 Å²	58.4	12%	0.117	29%	0.293	C	S	.	.			trans	-124.7	-178.2	153.4	-74.6	171.5	-169	167.4	0	108.8	H48 G49 N80 E87 H89 Q500 G517	H48-K515 PolarHBondContact CD2-O 2.9Å; H48-K515 WeakPolarHBondContact O-CB 3.49Å; H48-K515 VanDerWaalsContact O-CD 3.23Å; H48-K515 WeakPolarHBondContact O-CD 3.33Å; H48-K515 WeakPolarHBondContact O-CG 3.41Å; H48-K515 PolarHBondContact O-N 3.03Å; H48-K515 VanDerWaalsContact O-N 3.16Å; G49-K515 PolarHBondContact O-NZ 2.98Å; N80-K515 PolarHBondContact ND2-NZ 3.45Å; N80-K515 VanDerWaalsContact ND2-NZ 3.13Å; E87-K515 WeakPolarHBondContact OE1-CE 3.4Å; E87-K515 IonicContact OE1-NZ 2.63Å; E87-K515 PolarHBondContact OE1-NZ 3.16Å; H89-K515 HydrophobicContact CB-CD 3.52Å; H89-K515 WeakPolarHBondContact CD2-CD 3.28Å; Q500-K515 PolarHBondContact NE2-O 3.15Å; K515-G517 PolarHBondContact O-N 3.19Å
516	K	45.2	Very low	69.3	Low	111 Å²	111	57.9 Å²	57.9	48%	0.483	30%	0.298	S	S	.	.	S	Bend	trans	-81.9	75	-163.6	-67.8	160.1	179.2	153.9	0	113.2	R91 T147 D148	R91-K516 PolarHBondContact NH1-O 2.89Å; T147-K516 WeakPolarHBondContact O-CB 3.25Å; T147-K516 WeakPolarHBondContact O-CD 3.33Å; D148-K516 VanDerWaalsContact OD1-CD 3.31Å; D148-K516 WeakPolarHBondContact OD1-CD 3.04Å; D148-K516 WeakPolarHBondContact OD1-CE 3.44Å; D148-K516 IonicContact OD1-NZ 3.96Å; D148-K516 PolarHBondContact OD1-NZ 2.84Å
517	G	55.6	Low	69	Low	6 Å²	6	60.9 Å²	60.9	6%	0.062	32%	0.317	C	S	.	.			trans	-142	144.4	168.2	0	0	0	0	0	112.6	K515	K515-G517 PolarHBondContact O-N 3.19Å
518	P	64.4	Low	68.4	Low	60 Å²	60	55.9 Å²	55.9	39%	0.39	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-79.6	157.2	152	33.9	-31.9	0	0	0	110.2	C498	C498-P518 WeakPolarHBondContact O-CB 3.38Å
519	P	75.8	Confident	68.7	Low	1 Å²	1	54.3 Å²	54.3	1%	0.006	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-55.2	149.2	167.1	-26.8	36.6	0	0	0	113.2	M474 Q477 C498 L501 T523 C531	M474-P519 HydrophobicContact CE-CB 4.31Å; M474-P519 HydrophobicContact CE-CG 4.02Å; Q477-P519 VanDerWaalsContact OE1-CA 3.3Å; C498-P519 WeakPolarHBondContact O-CD 3.05Å; L501-P519 HydrophobicContact CB-CG 3.68Å; L501-P519 HydrophobicContact CD2-CG 4.05Å; L501-P519 HydrophobicContact CG-CG 4.44Å; P519-T523 HydrophobicContact CB-CG2 4.11Å; P519-C531 HydrophobicContact CB-CB 4.42Å
520	L	75.4	Confident	69.1	Low	42 Å²	42	54.8 Å²	54.8	22%	0.22	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-55.3	142.2	-175.9	-65.1	172.1	0	0	0	113	G522 T523	L520-G522 PolarHBondContact O-N 3.25Å; L520-T523 PolarHBondContact N-OG1 2.66Å; L520-T523 WeakPolarHBondContact O-CB 3.32Å; L520-T523 PolarHBondContact O-N 3.31Å; L520-T523 PolarHBondContact O-OG1 3.3Å
521	D	65.3	Low	69.1	Low	41 Å²	41	45.8 Å²	45.8	22%	0.219	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	104.1	-178.3	-88.4	14.9	0	0	0	111.3	G469 C531 Y532 K533	G469-D521 WeakPolarHBondContact CA-O 3.36Å; G469-D521 PolarHBondContact N-O 3.48Å; D521-C531 CarbonylContact C-O 3.55Å; D521-C531 WeakPolarHBondContact CA-O 3.24Å; D521-Y532 HydrophobicContact CB-CD2 4.18Å; D521-Y532 WeakPolarHBondContact OD1-CA 3.5Å; D521-K533 PolarHBondContact OD1-N 3.5Å; D521-K533 WeakPolarHBondContact OD2-CG 3.13Å; D521-K533 PolarHBondContact OD2-N 2.76Å
522	G	66.6	Low	68.8	Low	3 Å²	3	43.9 Å²	43.9	3%	0.031	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	131.7	-16.8	-173.3	0	0	0	0	0	114.3	G469 L520 E524 W530 C531	G469-G522 CarbonylContact C-O 2.88Å; G469-G522 CarbonylContact O-C 3.48Å; L520-G522 PolarHBondContact O-N 3.25Å; G522-E524 PolarHBondContact O-N 2.98Å; G522-W530 WeakPolarHBondContact O-CB 3.5Å; G522-C531 PolarHBondContact N-O 2.38Å
523	T	78.9	Confident	68	Low	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.265	C	S	.	.			trans	-63	128	-173.9	-53.7	0	0	0	0	112	G469 M474 Q477 P519 L520 C525 W530 C531	G469-T523 VanDerWaalsContact O-CA 3.22Å; G469-T523 WeakPolarHBondContact O-CA 3.39Å; G469-T523 PolarHBondContact O-N 3.17Å; M474-T523 HydrophobicContact CE-CG2 4.12Å; M474-T523 HydrophobicContact CG-CG2 3.6Å; Q477-T523 PolarHBondContact NE2-OG1 3.43Å; P519-T523 HydrophobicContact CB-CG2 4.11Å; L520-T523 PolarHBondContact N-OG1 2.66Å; L520-T523 WeakPolarHBondContact O-CB 3.32Å; L520-T523 PolarHBondContact O-N 3.31Å; L520-T523 PolarHBondContact O-OG1 3.3Å; T523-C525 PolarHBondContact O-N 2.93Å; T523-W530 CarbonylContact O-C 3.5Å; T523-W530 WeakPolarHBondContact O-CA 3.47Å; T523-C531 PolarHBondContact O-N 1.79Å
524	E	75.1	Confident	67.6	Low	108 Å²	108	47.3 Å²	47.3	51%	0.505	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.9	177.2	-177	149.3	-132.5	0	0	111.8	G522 P527 G528 K529	G522-E524 PolarHBondContact O-N 2.98Å; E524-P527 WeakPolarHBondContact OE1-CA 3.42Å; E524-G528 PolarHBondContact OE1-N 2.69Å; E524-K529 WeakPolarHBondContact CA-O 3.48Å
525	C	79.9	Confident	67.5	Low	23 Å²	23	50.3 Å²	50.3	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	-21.7	-171.8	59.5	0	0	0	0	113.8	M474 P497 C498 T523 K529 W530 C536	M474-C525 HydrophobicContact CE-CB 3.57Å; P497-C525 HydrophobicContact CG-CB 4.37Å; C498-C525 WeakPolarHBondContact SG-CB 3.39Å; C498-C525 VanDerWaalsContact SG-SG 3.63Å; T523-C525 PolarHBondContact O-N 2.93Å; C525-K529 PolarHBondContact N-O 3.23Å; C525-K529 VanDerWaalsContact N-O 3.1Å; C525-K529 VanDerWaalsContact SG-C 3.57Å; C525-K529 VanDerWaalsContact SG-CB 3.59Å; C525-K529 PolarHBondContact SG-O 2.79Å; C525-W530 VanDerWaalsContact SG-C 3.54Å; C525-C536 HydrophobicContact CB-CB 3.88Å; C525-C536 WeakPolarHBondContact CB-SG 3.39Å; C525-C536 WeakPolarHBondContact SG-CA 3.05Å; C525-C536 WeakPolarHBondContact SG-CB 3.42Å; C525-C536 CovalentContact SG-SG 2.04Å; C525-C536 PolarHBondContact SG-SG 3.3Å
526	A	69	Low	68.5	Low	38 Å²	38	50.5 Å²	50.5	31%	0.314	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	155.6	167	0	0	0	0	0	106.7	G528 K529	A526-G528 PolarHBondContact O-N 3.42Å; A526-G528 VanDerWaalsContact O-N 3.09Å; A526-K529 HydrophobicContact CB-CB 4.44Å; A526-K529 HydrophobicContact CB-CD 4.31Å; A526-K529 WeakPolarHBondContact O-CA 3.22Å; A526-K529 WeakPolarHBondContact O-CB 3.34Å; A526-K529 PolarHBondContact O-N 3.34Å
527	P	68.1	Low	69.5	Low	121 Å²	121	49.2 Å²	49.2	79%	0.786	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	117.7	-174.7	-29.8	36.4	0	0	0	113.6	E524	E524-P527 WeakPolarHBondContact OE1-CA 3.42Å
528	G	60	Low	69.6	Low	35 Å²	35	57 Å²	57	36%	0.361	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	7.1	-177.8	0	0	0	0	0	115.5	E524 A526	E524-G528 PolarHBondContact OE1-N 2.69Å; A526-G528 PolarHBondContact O-N 3.42Å; A526-G528 VanDerWaalsContact O-N 3.09Å
529	K	73.4	Confident	69.4	Low	55 Å²	55	59.5 Å²	59.5	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.3	177.5	-62.2	-172.5	-178.2	179.1	0	111.8	E524 C525 A526 M537 W538	E524-K529 WeakPolarHBondContact CA-O 3.48Å; C525-K529 PolarHBondContact N-O 3.23Å; C525-K529 VanDerWaalsContact N-O 3.1Å; C525-K529 VanDerWaalsContact SG-C 3.57Å; C525-K529 VanDerWaalsContact SG-CB 3.59Å; C525-K529 PolarHBondContact SG-O 2.79Å; A526-K529 HydrophobicContact CB-CB 4.44Å; A526-K529 HydrophobicContact CB-CD 4.31Å; A526-K529 WeakPolarHBondContact O-CA 3.22Å; A526-K529 WeakPolarHBondContact O-CB 3.34Å; A526-K529 PolarHBondContact O-N 3.34Å; K529-M537 CarbonylContact C-O 2.99Å; K529-M537 WeakPolarHBondContact CA-O 3.13Å; K529-M537 VanDerWaalsContact CB-O 3.3Å; K529-M537 WeakPolarHBondContact CB-O 3.15Å; K529-W538 HydrophobicContact CD-CD2 4.24Å; K529-W538 HydrophobicContact CD-CE3 4.35Å; K529-W538 VanDerWaalsContact CE-CZ2 3.42Å; K529-W538 HydrophobicContact CG-CD2 3.78Å; K529-W538 HydrophobicContact CG-CE3 3.52Å; K529-W538 HydrophobicContact CG-CG 4.29Å; K529-W538 HydrophobicContact CG-CZ3 3.93Å
530	W	74.6	Confident	68.2	Low	52 Å²	52	66.4 Å²	66.4	20%	0.197	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	154.2	175.2	61.3	4.4	0	0	0	112.7	L467 I470 G522 T523 C525 M537 K539	L467-W530 HydrophobicContact CD1-CH2 3.86Å; L467-W530 HydrophobicContact CD1-CZ3 4.41Å; I470-W530 HydrophobicContact CD1-CZ3 4.09Å; I470-W530 HydrophobicContact CG1-CE3 4.31Å; I470-W530 HydrophobicContact CG1-CZ3 4.06Å; G522-W530 WeakPolarHBondContact O-CB 3.5Å; T523-W530 CarbonylContact O-C 3.5Å; T523-W530 WeakPolarHBondContact O-CA 3.47Å; C525-W530 VanDerWaalsContact SG-C 3.54Å; W530-M537 PolarHBondContact N-O 2.69Å; W530-M537 PolarHBondContact O-N 3.24Å; W530-K539 HydrophobicContact CD2-CG 4.23Å; W530-K539 HydrophobicContact CG-CG 4.28Å
531	C	71.1	Confident	66.7	Low	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.8	163.2	-59.3	0	0	0	0	109	M474 C498 P519 D521 G522 T523 H535	M474-C531 WeakPolarHBondContact CE-SG 3.3Å; C498-C531 WeakPolarHBondContact CA-SG 3.33Å; C498-C531 HydrophobicContact CB-CB 3.7Å; C498-C531 WeakPolarHBondContact CB-SG 3.47Å; C498-C531 WeakPolarHBondContact SG-CA 3.38Å; C498-C531 WeakPolarHBondContact SG-CB 3.43Å; C498-C531 CovalentContact SG-SG 2.04Å; C498-C531 PolarHBondContact SG-SG 3.12Å; P519-C531 HydrophobicContact CB-CB 4.42Å; D521-C531 CarbonylContact C-O 3.55Å; D521-C531 WeakPolarHBondContact CA-O 3.24Å; G522-C531 PolarHBondContact N-O 2.38Å; T523-C531 PolarHBondContact O-N 1.79Å; C531-H535 WeakPolarHBondContact CA-O 3.45Å
532	Y	70.9	Confident	65.7	Low	79 Å²	79	75 Å²	75	31%	0.31	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	123.9	169.4	-175.4	-91.9	0	0	0	108.8	L467 D521 G534 H535 M537	L467-Y532 HydrophobicContact CD1-CE2 4.33Å; D521-Y532 HydrophobicContact CB-CD2 4.18Å; D521-Y532 WeakPolarHBondContact OD1-CA 3.5Å; Y532-G534 PolarHBondContact O-N 3.35Å; Y532-H535 PolarHBondContact N-O 2.89Å; Y532-H535 PolarHBondContact O-N 3.45Å; Y532-M537 HydrophobicContact CD1-CE 3.57Å; Y532-M537 HydrophobicContact CG-CE 4.13Å
533	K	61.7	Low	64.7	Low	151 Å²	151	82 Å²	82	66%	0.657	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	45.6	-169.7	-58.9	-169.5	178.6	-168	0	113.1	D521	D521-K533 PolarHBondContact OD1-N 3.5Å; D521-K533 WeakPolarHBondContact OD2-CG 3.13Å; D521-K533 PolarHBondContact OD2-N 2.76Å
534	G	61.7	Low	63.2	Low	10 Å²	10	89.4 Å²	89.4	10%	0.103	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	14.2	176.2	0	0	0	0	0	116.3	C498 K499 Y532	C498-G534 CarbonylContact C-O 3.58Å; C498-G534 VanDerWaalsContact C-O 3.26Å; C498-G534 CarbonylContact O-C 3.58Å; C498-G534 VanDerWaalsContact O-CA 3.25Å; C498-G534 WeakPolarHBondContact O-CA 3.48Å; K499-G534 WeakPolarHBondContact CA-O 3.31Å; K499-G534 WeakPolarHBondContact CG-O 3.43Å; K499-G534 PolarHBondContact N-O 3.12Å; Y532-G534 PolarHBondContact O-N 3.35Å
535	H	68.3	Low	61.9	Low	93 Å²	93	89.3 Å²	89.3	43%	0.431	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.6	-178.6	-68.7	-55.6	0	0	0	113.5	D496 C531 Y532 M537	D496-H535 IonicContact OD2-ND1 3.16Å; C531-H535 WeakPolarHBondContact CA-O 3.45Å; Y532-H535 PolarHBondContact N-O 2.89Å; Y532-H535 PolarHBondContact O-N 3.45Å; H535-M537 HydrophobicContact CB-CG 4.17Å; H535-M537 PolarHBondContact O-N 2.83Å; H535-M537 VanDerWaalsContact O-N 3.09Å
536	C	78.2	Confident	61.2	Low	31 Å²	31	90.8 Å²	90.8	21%	0.209	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	87.7	179.2	-172.7	0	0	0	0	112.4	C498 C525	C498-C536 HydrophobicContact CB-CB 4.27Å; C498-C536 WeakPolarHBondContact SG-CA 2.8Å; C498-C536 VanDerWaalsContact SG-CB 3.52Å; C525-C536 HydrophobicContact CB-CB 3.88Å; C525-C536 WeakPolarHBondContact CB-SG 3.39Å; C525-C536 WeakPolarHBondContact SG-CA 3.05Å; C525-C536 WeakPolarHBondContact SG-CB 3.42Å; C525-C536 CovalentContact SG-SG 2.04Å; C525-C536 PolarHBondContact SG-SG 3.3Å
537	M	66.4	Low	61.3	Low	85 Å²	85	92.5 Å²	92.5	42%	0.419	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	151.9	-173.6	-64.5	-157.5	-69.2	0	0	113.4	K529 W530 Y532 H535	K529-M537 CarbonylContact C-O 2.99Å; K529-M537 WeakPolarHBondContact CA-O 3.13Å; K529-M537 VanDerWaalsContact CB-O 3.3Å; K529-M537 WeakPolarHBondContact CB-O 3.15Å; W530-M537 PolarHBondContact N-O 2.69Å; W530-M537 PolarHBondContact O-N 3.24Å; Y532-M537 HydrophobicContact CD1-CE 3.57Å; Y532-M537 HydrophobicContact CG-CE 4.13Å; H535-M537 HydrophobicContact CB-CG 4.17Å; H535-M537 PolarHBondContact O-N 2.83Å; H535-M537 VanDerWaalsContact O-N 3.09Å
538	W	57.3	Low	61.7	Low	170 Å²	170	87.1 Å²	87.1	64%	0.644	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	149.4	169.2	-63.2	109.9	0	0	0	111.1	K529 N540	K529-W538 HydrophobicContact CD-CD2 4.24Å; K529-W538 HydrophobicContact CD-CE3 4.35Å; K529-W538 VanDerWaalsContact CE-CZ2 3.42Å; K529-W538 HydrophobicContact CG-CD2 3.78Å; K529-W538 HydrophobicContact CG-CE3 3.52Å; K529-W538 HydrophobicContact CG-CG 4.29Å; K529-W538 HydrophobicContact CG-CZ3 3.93Å; W538-N540 PolarHBondContact O-N 3.09Å
539	K	59.2	Low	62.6	Low	111 Å²	111	87.3 Å²	87.3	48%	0.483	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-69.5	123.8	172.9	-62	178.9	-179.9	179.8	0	109.3	W530	W530-K539 HydrophobicContact CD2-CG 4.23Å; W530-K539 HydrophobicContact CG-CG 4.28Å
540	N	50.4	Low	63.2	Low	146 Å²	146	87.1 Å²	87.1	78%	0.781	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-78.4	148.8	-171.6	-92.9	-21.4	0	0	0	113.1	W538	W538-N540 PolarHBondContact O-N 3.09Å
541	P	43.8	Very low	63.5	Low	104 Å²	104	85.1 Å²	85.1	68%	0.675	43%	0.427	S	S	*	.			trans	-105.6	12.4	-151.5	-0.7	24.5	0	0	0	116.5
542	N	44.7	Very low	64.1	Low	159 Å²	159	90.6 Å²	90.6	85%	0.85	47%	0.466	S	S	*	.			trans	-112.4	19.6	-155.4	-86.2	20.8	0	0	0	117.1
543	Q	45.1	Very low	64.8	Low	152 Å²	152	90.4 Å²	90.4	71%	0.71	46%	0.464	S	S	*	.	S	Bend	trans	-99.6	158	168.4	-78.4	174.6	-46.9	0	0	111.3	N581	Q543-N581 WeakPolarHBondContact CB-ND2 3.31Å; Q543-N581 WeakPolarHBondContact CB-OD1 3.33Å; Q543-N581 VanDerWaalsContact O-CB 3.23Å; Q543-N581 WeakPolarHBondContact O-CB 3.39Å; Q543-N581 VanDerWaalsContact O-CG 3.23Å
544	L	47.5	Very low	65.8	Low	154 Å²	154	85.6 Å²	85.6	81%	0.806	45%	0.45	S	S	*	.			trans	-69.1	147.7	-178.4	-72.2	165.1	0	0	0	111.5	V546 N581	L544-V546 PolarHBondContact O-N 2.84Å; L544-V546 VanDerWaalsContact O-N 3.16Å; L544-N581 WeakPolarHBondContact O-CB 3.03Å; L544-N581 PolarHBondContact O-ND2 3.33Å
545	K	49.5	Very low	66.8	Low	106 Å²	106	94.8 Å²	94.8	46%	0.461	49%	0.487	S	S	.	.			trans	-58.2	115.5	172	-175.8	-173.7	178.7	-115.4	0	110.2	D547 N581 A582	K545-D547 WeakPolarHBondContact CE-OD1 3.39Å; K545-D547 IonicContact NZ-OD1 3.88Å; K545-D547 PolarHBondContact NZ-OD1 3.02Å; K545-D547 IonicContact NZ-OD2 3.72Å; K545-D547 PolarHBondContact NZ-OD2 3.15Å; K545-N581 WeakPolarHBondContact CA-O 3.31Å; K545-N581 WeakPolarHBondContact CB-O 3.21Å; K545-A582 WeakPolarHBondContact CE-O 3.2Å
546	V	63.8	Low	67.7	Low	54 Å²	54	92.7 Å²	92.7	33%	0.327	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-113.4	112.1	172.3	-178.4	0	0	0	0	107.8	L544 P577 P579 S580 G583	L544-V546 PolarHBondContact O-N 2.84Å; L544-V546 VanDerWaalsContact O-N 3.16Å; V546-P577 HydrophobicContact CG1-CB 4.26Å; V546-P577 HydrophobicContact CG1-CG 3.64Å; V546-P579 WeakPolarHBondContact O-CA 3.4Å; V546-S580 PolarHBondContact N-O 2.96Å; V546-S580 PolarHBondContact O-N 2.92Å; V546-G583 VanDerWaalsContact O-CA 3.24Å; V546-G583 WeakPolarHBondContact O-CA 3.32Å
547	D	71.9	Confident	67.8	Low	75 Å²	75	92.8 Å²	92.8	40%	0.401	48%	0.483	S	S	.	.			trans	-71.3	138.4	171.8	-66.9	-47.8	0	0	0	110.1	K545 Q584	K545-D547 WeakPolarHBondContact CE-OD1 3.39Å; K545-D547 IonicContact NZ-OD1 3.88Å; K545-D547 PolarHBondContact NZ-OD1 3.02Å; K545-D547 IonicContact NZ-OD2 3.72Å; K545-D547 PolarHBondContact NZ-OD2 3.15Å; D547-Q584 WeakPolarHBondContact OD1-CB 3.28Å; D547-Q584 PolarHBondContact OD1-N 3.15Å
548	G	76.4	Confident	68.8	Low	7 Å²	7	94.3 Å²	94.3	7%	0.072	50%	0.502	C	S	.	.			trans	-74.5	143.1	-174.8	0	0	0	0	0	112.7	P577 Q584 C586	G548-P577 WeakPolarHBondContact CA-O 2.97Å; G548-Q584 PolarHBondContact N-O 3.07Å; G548-C586 PolarHBondContact O-SG 3.37Å
549	A	78.9	Confident	70.3	Confident	40 Å²	40	87.9 Å²	87.9	33%	0.331	48%	0.482	S	S	.	.			trans	-129.9	151.8	170.8	0	0	0	0	0	113.2	N575 N576 P577 C586	A549-N575 PolarHBondContact O-N 2.97Å; A549-N576 WeakPolarHBondContact CB-O 3.03Å; A549-N576 CarbonylContact O-C 3.56Å; A549-N576 PolarHBondContact O-N 3.33Å; A549-P577 PolarHBondContact N-O 3.16Å; A549-C586 WeakPolarHBondContact CA-SG 3.32Å; A549-C586 PolarHBondContact N-SG 3.22Å; A549-C586 PolarHBondContact O-SG 2.86Å
550	W	86.8	Confident	71.7	Confident	50 Å²	50	84.7 Å²	84.7	19%	0.189	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-71.3	128.1	-169.2	-72.7	116.3	0	0	0	112.5	R572 C574 C586 P587 V589 N590	W550-R572 HydrophobicContact CD2-CG 4.14Å; W550-R572 VanDerWaalsContact CD2-CZ 3.45Å; W550-R572 VanDerWaalsContact CD2-NE 3.27Å; W550-R572 VanDerWaalsContact CE2-CZ 3.48Å; W550-R572 HydrophobicContact CE3-CB 4.47Å; W550-R572 HydrophobicContact CE3-CG 3.55Å; W550-R572 VanDerWaalsContact CG-CZ 3.48Å; W550-R572 HydrophobicContact CZ3-CG 4Å; W550-C574 HydrophobicContact CE3-CB 4.28Å; W550-C574 HydrophobicContact CZ3-CB 3.96Å; W550-C586 HydrophobicContact CD2-CB 3.56Å; W550-C586 HydrophobicContact CE3-CB 3.92Å; W550-C586 HydrophobicContact CG-CB 4.13Å; W550-C586 HydrophobicContact CH2-CB 3.74Å; W550-C586 HydrophobicContact CZ2-CB 3.37Å; W550-C586 VanDerWaalsContact CZ2-O 3.31Å; W550-C586 WeakPolarHBondContact CZ2-O 3.09Å; W550-C586 HydrophobicContact CZ3-CB 4.01Å; W550-P587 PolarHBondContact NE1-O 2.91Å; W550-V589 WeakPolarHBondContact CZ2-O 3.18Å; W550-N590 HydrophobicContact CH2-CB 3.71Å; W550-N590 HydrophobicContact CZ3-CB 3.6Å
551	G	79.8	Confident	73.2	Confident	11 Å²	11	80 Å²	80	11%	0.113	45%	0.445	C	S	.	.			trans	-69.8	174.4	163.9	0	0	0	0	0	112.7	Q573	G551-Q573 PolarHBondContact N-O 2.87Å
552	S	82.9	Confident	75	Confident	115 Å²	115	80.1 Å²	80.1	80%	0.804	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-59.9	142.8	179.2	-64.8	0	0	0	0	112.7
553	W	86.1	Confident	76.8	Confident	75 Å²	75	73.9 Å²	73.9	28%	0.284	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65.7	134.1	168.6	-74.8	116.5	0	0	0	111.4	R570 T571 R572 E592	W553-R570 HydrophobicContact CD2-CG 4.23Å; W553-R570 HydrophobicContact CE3-CG 3.73Å; W553-R570 HydrophobicContact CZ3-CG 4.28Å; W553-T571 VanDerWaalsContact CE3-C 3.47Å; W553-R572 HydrophobicContact CD2-CB 4.01Å; W553-R572 HydrophobicContact CD2-CG 4.07Å; W553-R572 HydrophobicContact CE3-CB 3.66Å; W553-R572 HydrophobicContact CE3-CG 3.68Å; W553-R572 HydrophobicContact CH2-CG 3.7Å; W553-R572 VanDerWaalsContact CH2-NE 3.3Å; W553-R572 VanDerWaalsContact CZ2-CD 3.45Å; W553-R572 HydrophobicContact CZ2-CG 4.12Å; W553-R572 VanDerWaalsContact CZ2-CZ 3.44Å; W553-R572 HydrophobicContact CZ3-CB 3.99Å; W553-R572 HydrophobicContact CZ3-CG 3.49Å; W553-R572 VanDerWaalsContact CZ3-CG 3.49Å; W553-E592 VanDerWaalsContact CE2-OE2 3.26Å; W553-E592 HydrophobicContact CE3-CB 4.26Å; W553-E592 HydrophobicContact CH2-CB 3.37Å; W553-E592 HydrophobicContact CZ2-CB 3.8Å; W553-E592 WeakPolarHBondContact CZ2-OE2 3.27Å; W553-E592 HydrophobicContact CZ3-CB 3.61Å
554	S	82.4	Confident	78.2	Confident	50 Å²	50	67.6 Å²	67.6	35%	0.35	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-64.8	162.9	168.1	62	0	0	0	0	111.9	R570 T571	S554-R570 WeakPolarHBondContact O-CB 3.48Å; S554-R570 WeakPolarHBondContact O-CD 3.42Å; S554-T571 WeakPolarHBondContact CB-O 3.07Å; S554-T571 PolarHBondContact N-O 2.8Å; S554-T571 PolarHBondContact OG-N 2.64Å; S554-T571 PolarHBondContact OG-O 2.88Å; S554-T571 PolarHBondContact OG-OG1 3.39Å; S554-T571 VanDerWaalsContact OG-OG1 3.13Å
555	K	83.8	Confident	79.9	Confident	202 Å²	202	61.6 Å²	61.6	88%	0.878	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-63.9	138.5	172.7	-65.4	176.8	-177.6	173.1	0	108.9	G557	K555-G557 PolarHBondContact O-N 3.35Å
556	F	85.9	Confident	81.6	Confident	49 Å²	49	56.6 Å²	56.6	22%	0.215	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-57.9	133.3	173.7	-78.4	-72.9	0	0	0	110.7	R568 R570 Q594	F556-R568 HydrophobicContact CB-CG 4.18Å; F556-R568 HydrophobicContact CD1-CG 3.83Å; F556-R568 HydrophobicContact CG-CG 4.18Å; F556-R570 HydrophobicContact CD1-CB 3.86Å; F556-R570 HydrophobicContact CD1-CG 3.82Å; F556-R570 HydrophobicContact CE1-CB 4.13Å; F556-R570 HydrophobicContact CE1-CG 3.56Å; F556-R570 HydrophobicContact CG-CB 4.3Å; F556-R570 HydrophobicContact CG-CG 4.41Å; F556-R570 VanDerWaalsContact CZ-CD 3.46Å; F556-R570 HydrophobicContact CZ-CG 3.94Å; F556-Q594 HydrophobicContact CD1-CB 4.31Å; F556-Q594 HydrophobicContact CE1-CB 3.51Å; F556-Q594 HydrophobicContact CZ-CB 3.68Å; F556-Q594 HydrophobicContact CZ-CG 4.32Å
557	G	81.9	Confident	82.8	Confident	34 Å²	34	54.3 Å²	54.3	35%	0.351	33%	0.327	S	S	.	.			trans	-69.1	178.9	172.9	0	0	0	0	0	113.4	K555 R568 F569	K555-G557 PolarHBondContact O-N 3.35Å; G557-R568 WeakPolarHBondContact O-CB 3.45Å; G557-F569 PolarHBondContact N-O 3.21Å
558	S	87.1	Confident	83.6	Confident	116 Å²	116	55 Å²	55	81%	0.811	32%	0.324	S	S	*	.			trans	-55.5	148.6	171	-56.1	0	0	0	0	111.8
559	C	89.3	Confident	84	Confident	35 Å²	35	57 Å²	57	24%	0.236	33%	0.331	C	S	.	.			trans	-70.9	137.4	174.9	-165.4	0	0	0	0	111	R561 C596	C559-R561 PolarHBondContact O-N 3.31Å; C559-R561 PolarHBondContact SG-O 3.17Å; C559-C596 WeakPolarHBondContact CA-SG 3.19Å; C559-C596 HydrophobicContact CB-CB 3.86Å; C559-C596 WeakPolarHBondContact CB-SG 3.49Å; C559-C596 VanDerWaalsContact SG-C 3.59Å; C559-C596 WeakPolarHBondContact SG-CB 3.34Å; C559-C596 CovalentContact SG-SG 2.02Å; C559-C596 PolarHBondContact SG-SG 3.27Å
560	S	87.6	Confident	84.2	Confident	44 Å²	44	57.9 Å²	57.9	31%	0.308	33%	0.326	S	S	.	.	S	Bend	trans	-64.6	-20.8	179.6	68.1	0	0	0	0	114.5	G566 V567 D662	S560-G566 WeakPolarHBondContact OG-CA 3.21Å; S560-V567 WeakPolarHBondContact CB-O 3.38Å; S560-V567 PolarHBondContact N-O 2.89Å; S560-V567 PolarHBondContact OG-N 3.25Å; S560-V567 PolarHBondContact OG-O 2.9Å; S560-D662 VanDerWaalsContact CB-O 3.27Å; S560-D662 WeakPolarHBondContact CB-O 3.43Å; S560-D662 PolarHBondContact OG-O 3.1Å
561	R	81.8	Confident	83.9	Confident	48 Å²	48	58.4 Å²	58.4	18%	0.181	34%	0.335	C	S	.	.			trans	-137.8	149.2	-178.6	-61.1	176	57	160.5	6.5	111.2	C559 C563 G564 N597 F608 G663	C559-R561 PolarHBondContact O-N 3.31Å; C559-R561 PolarHBondContact SG-O 3.17Å; R561-C563 PolarHBondContact NE-O 2.75Å; R561-C563 PolarHBondContact NH2-O 3.48Å; R561-G564 PolarHBondContact NH1-O 3.18Å; R561-G564 VanDerWaalsContact NH1-O 3.08Å; R561-G564 PolarHBondContact NH2-O 2.77Å; R561-N597 WeakPolarHBondContact O-CB 3.41Å; R561-N597 PolarHBondContact O-ND2 2.88Å; R561-F608 HydrophobicContact CG-CE1 4.37Å; R561-G663 PolarHBondContact NH1-O 3.46Å
562	S	82.6	Confident	84.1	Confident	107 Å²	107	60.1 Å²	60.1	75%	0.748	34%	0.338	S	S	*	.	S	Bend	trans	-82.3	-23	172.2	52	0	0	0	0	113.6
563	C	81.4	Confident	83.7	Confident	27 Å²	27	60.5 Å²	60.5	18%	0.182	33%	0.327	C	S	.	.	S	Bend	trans	-154	164.1	175.1	62.7	0	0	0	0	111.1	R561 C601	R561-C563 PolarHBondContact NE-O 2.75Å; R561-C563 PolarHBondContact NH2-O 3.48Å; C563-C601 HydrophobicContact CB-CB 4Å; C563-C601 WeakPolarHBondContact CB-SG 3.17Å; C563-C601 WeakPolarHBondContact SG-CA 3.33Å; C563-C601 WeakPolarHBondContact SG-CB 3.18Å; C563-C601 CovalentContact SG-SG 2.05Å; C563-C601 PolarHBondContact SG-SG 2.74Å
564	G	74.3	Confident	83.3	Confident	20 Å²	20	58.1 Å²	58.1	21%	0.206	32%	0.322	C	S	.	.	S	Bend	trans	77.8	37.4	173.2	0	0	0	0	0	114.7	R561 N597 N599	R561-G564 PolarHBondContact NH1-O 3.18Å; R561-G564 VanDerWaalsContact NH1-O 3.08Å; R561-G564 PolarHBondContact NH2-O 2.77Å; G564-N597 PolarHBondContact N-O 2.93Å; G564-N599 PolarHBondContact N-O 2.91Å
565	T	84.7	Confident	82.7	Confident	29 Å²	29	59.5 Å²	59.5	18%	0.178	33%	0.325	C	S	.	.	S	Bend	trans	65.5	84.6	179.2	-54	0	0	0	0	112.7	L595 N597 I674	T565-L595 HydrophobicContact CG2-CD1 3.97Å; T565-L595 HydrophobicContact CG2-CD2 4.02Å; T565-L595 HydrophobicContact CG2-CG 4.41Å; T565-N597 PolarHBondContact N-O 3.12Å; T565-N597 VanDerWaalsContact N-O 3.09Å; T565-I674 HydrophobicContact CG2-CD1 4.49Å
566	G	85.3	Confident	82	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	172.4	165.1	0	0	0	0	0	112.4	S560 L595 C596	S560-G566 WeakPolarHBondContact OG-CA 3.21Å; G566-L595 WeakPolarHBondContact O-CA 3.44Å; G566-C596 PolarHBondContact N-O 2.84Å; G566-C596 PolarHBondContact O-N 3.37Å
567	V	88.4	Confident	81.1	Confident	6 Å²	6	55.3 Å²	55.3	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.7	172.8	-176.9	0	0	0	0	109	S560 Y593 L595 I674 V676	S560-V567 WeakPolarHBondContact CB-O 3.38Å; S560-V567 PolarHBondContact N-O 2.89Å; S560-V567 PolarHBondContact OG-N 3.25Å; S560-V567 PolarHBondContact OG-O 2.9Å; V567-Y593 HydrophobicContact CG1-CD1 4.21Å; V567-Y593 HydrophobicContact CG1-CG 4.37Å; V567-L595 HydrophobicContact CG2-CD2 4.15Å; V567-I674 HydrophobicContact CG2-CD1 3.35Å; V567-I674 HydrophobicContact CG2-CG1 4.34Å; V567-V676 HydrophobicContact CG1-CG1 4.31Å; V567-V676 HydrophobicContact CG1-CG2 4.34Å; V567-V676 HydrophobicContact CG2-CG2 3.99Å
568	R	87.4	Confident	80.1	Confident	90 Å²	90	55.1 Å²	55.1	34%	0.34	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.6	160.2	61.9	-174.4	-168.3	180	-1.4	108.2	F556 G557 Q594 C596	F556-R568 HydrophobicContact CB-CG 4.18Å; F556-R568 HydrophobicContact CD1-CG 3.83Å; F556-R568 HydrophobicContact CG-CG 4.18Å; G557-R568 WeakPolarHBondContact O-CB 3.45Å; R568-Q594 HydrophobicContact CG-CB 4.28Å; R568-Q594 VanDerWaalsContact CZ-OE1 3.29Å; R568-Q594 PolarHBondContact N-O 3.25Å; R568-Q594 PolarHBondContact O-N 3.33Å; R568-Q594 VanDerWaalsContact O-O 3.11Å; R568-C596 HydrophobicContact CG-CB 4.24Å; R568-C596 PolarHBondContact N-SG 2.98Å
569	F	85.5	Confident	79.3	Confident	48 Å²	48	51.9 Å²	51.9	21%	0.211	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	159	179.5	80.4	-75.3	0	0	0	110.5	R66 G557 T571 E592 Y593	R66-F569 VanDerWaalsContact NH2-CE1 3.33Å; G557-F569 PolarHBondContact N-O 3.21Å; F569-T571 HydrophobicContact CD2-CG2 4.12Å; F569-T571 HydrophobicContact CE2-CG2 4.06Å; F569-E592 CarbonylContact C-O 3.45Å; F569-E592 VanDerWaalsContact CA-O 3.28Å; F569-E592 WeakPolarHBondContact CA-O 3.48Å; F569-Y593 HydrophobicContact CB-CD1 3.62Å; F569-Y593 HydrophobicContact CB-CE1 3.89Å
570	R	83.8	Confident	77.8	Confident	60 Å²	60	51.9 Å²	51.9	23%	0.226	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	168.2	163.5	63.6	-176.4	-174.7	-178.6	-8.6	109.6	W553 S554 F556 Y591 E592	W553-R570 HydrophobicContact CD2-CG 4.23Å; W553-R570 HydrophobicContact CE3-CG 3.73Å; W553-R570 HydrophobicContact CZ3-CG 4.28Å; S554-R570 WeakPolarHBondContact O-CB 3.48Å; S554-R570 WeakPolarHBondContact O-CD 3.42Å; F556-R570 HydrophobicContact CD1-CB 3.86Å; F556-R570 HydrophobicContact CD1-CG 3.82Å; F556-R570 HydrophobicContact CE1-CB 4.13Å; F556-R570 HydrophobicContact CE1-CG 3.56Å; F556-R570 HydrophobicContact CG-CB 4.3Å; F556-R570 HydrophobicContact CG-CG 4.41Å; F556-R570 VanDerWaalsContact CZ-CD 3.46Å; F556-R570 HydrophobicContact CZ-CG 3.94Å; R570-Y591 WeakPolarHBondContact O-CA 3.33Å; R570-E592 HydrophobicContact CG-CB 4.06Å; R570-E592 IonicContact CZ-OE2 3.32Å; R570-E592 PolarHBondContact N-O 2.03Å; R570-E592 IonicContact NE-OE2 2.73Å; R570-E592 PolarHBondContact NE-OE2 3.47Å; R570-E592 IonicContact NH2-OE1 2.66Å; R570-E592 PolarHBondContact NH2-OE1 3.14Å; R570-E592 IonicContact NH2-OE2 3.41Å; R570-E592 PolarHBondContact NH2-OE2 3.02Å; R570-E592 PolarHBondContact O-N 3.38Å
571	T	79.3	Confident	76.3	Confident	60 Å²	60	52.2 Å²	52.2	37%	0.368	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.8	-175.8	47.7	0	0	0	0	110.8	W553 S554 F569 N590	W553-T571 VanDerWaalsContact CE3-C 3.47Å; S554-T571 WeakPolarHBondContact CB-O 3.07Å; S554-T571 PolarHBondContact N-O 2.8Å; S554-T571 PolarHBondContact OG-N 2.64Å; S554-T571 PolarHBondContact OG-O 2.88Å; S554-T571 PolarHBondContact OG-OG1 3.39Å; S554-T571 VanDerWaalsContact OG-OG1 3.13Å; F569-T571 HydrophobicContact CD2-CG2 4.12Å; F569-T571 HydrophobicContact CE2-CG2 4.06Å; T571-N590 CarbonylContact C-O 3.56Å; T571-N590 VanDerWaalsContact CA-O 3.29Å; T571-N590 WeakPolarHBondContact CA-O 3.24Å
572	R	84.4	Confident	75.2	Confident	47 Å²	47	54.4 Å²	54.4	18%	0.177	32%	0.316	C	S	.	.			trans	-136	154.7	169.5	60.6	-178.8	175.8	177.2	-0.1	107.5	W550 W553 V589 N590	W550-R572 HydrophobicContact CD2-CG 4.14Å; W550-R572 VanDerWaalsContact CD2-CZ 3.45Å; W550-R572 VanDerWaalsContact CD2-NE 3.27Å; W550-R572 VanDerWaalsContact CE2-CZ 3.48Å; W550-R572 HydrophobicContact CE3-CB 4.47Å; W550-R572 HydrophobicContact CE3-CG 3.55Å; W550-R572 VanDerWaalsContact CG-CZ 3.48Å; W550-R572 HydrophobicContact CZ3-CG 4Å; W553-R572 HydrophobicContact CD2-CB 4.01Å; W553-R572 HydrophobicContact CD2-CG 4.07Å; W553-R572 HydrophobicContact CE3-CB 3.66Å; W553-R572 HydrophobicContact CE3-CG 3.68Å; W553-R572 HydrophobicContact CH2-CG 3.7Å; W553-R572 VanDerWaalsContact CH2-NE 3.3Å; W553-R572 VanDerWaalsContact CZ2-CD 3.45Å; W553-R572 HydrophobicContact CZ2-CG 4.12Å; W553-R572 VanDerWaalsContact CZ2-CZ 3.44Å; W553-R572 HydrophobicContact CZ3-CB 3.99Å; W553-R572 HydrophobicContact CZ3-CG 3.49Å; W553-R572 VanDerWaalsContact CZ3-CG 3.49Å; R572-V589 PolarHBondContact NE-O 2.95Å; R572-V589 PolarHBondContact NH2-O 2.95Å; R572-N590 PolarHBondContact N-O 3.2Å; R572-N590 WeakPolarHBondContact O-CB 3.12Å
573	Q	75.2	Confident	74.3	Confident	123 Å²	123	50.2 Å²	50.2	58%	0.575	29%	0.29	S	S	*	.			trans	-106.6	154.4	177.3	-73.1	170.7	-17.6	0	0	110.1	G551 N575	G551-Q573 PolarHBondContact N-O 2.87Å; Q573-N575 VanDerWaalsContact C-N 3.26Å; Q573-N575 HydrophobicContact CB-CB 4.12Å; Q573-N575 PolarHBondContact O-N 2.89Å; Q573-N575 VanDerWaalsContact O-N 3.16Å; Q573-N575 PolarHBondContact O-OD1 2.9Å; Q573-N575 VanDerWaalsContact O-OD1 3.1Å; Q573-N575 PolarHBondContact OE1-ND2 2.75Å
574	C	77	Confident	73.5	Confident	26 Å²	26	55.5 Å²	55.5	18%	0.176	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-86.1	74	172.8	-173.6	0	0	0	0	108.3	W550 A578 D585 C586	W550-C574 HydrophobicContact CE3-CB 4.28Å; W550-C574 HydrophobicContact CZ3-CB 3.96Å; C574-A578 WeakPolarHBondContact O-CA 3.02Å; C574-D585 PolarHBondContact SG-OD1 2.85Å; C574-C586 WeakPolarHBondContact CA-SG 3.16Å; C574-C586 HydrophobicContact CB-CB 3.74Å; C574-C586 WeakPolarHBondContact CB-SG 3.38Å; C574-C586 WeakPolarHBondContact SG-CB 3.47Å; C574-C586 PolarHBondContact SG-N 2.75Å; C574-C586 CovalentContact SG-SG 2.01Å; C574-C586 PolarHBondContact SG-SG 2.77Å
575	N	70.4	Confident	73.6	Confident	78 Å²	78	60 Å²	60	42%	0.417	33%	0.331	S	S	.	.			trans	-144	17.4	-164.7	69.2	-23	0	0	0	114.2	A549 Q573 P577	A549-N575 PolarHBondContact O-N 2.97Å; Q573-N575 VanDerWaalsContact C-N 3.26Å; Q573-N575 HydrophobicContact CB-CB 4.12Å; Q573-N575 PolarHBondContact O-N 2.89Å; Q573-N575 VanDerWaalsContact O-N 3.16Å; Q573-N575 PolarHBondContact O-OD1 2.9Å; Q573-N575 VanDerWaalsContact O-OD1 3.1Å; Q573-N575 PolarHBondContact OE1-ND2 2.75Å; N575-P577 VanDerWaalsContact C-C 3.4Å
576	N	68.4	Low	73.4	Confident	108 Å²	108	58.8 Å²	58.8	58%	0.578	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	61.1	-178.1	-173.4	49.8	0	0	0	112.8	A549	A549-N576 WeakPolarHBondContact CB-O 3.03Å; A549-N576 CarbonylContact O-C 3.56Å; A549-N576 PolarHBondContact O-N 3.33Å
577	P	68.2	Low	73	Confident	56 Å²	56	64.2 Å²	64.2	36%	0.364	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.1	173.2	-0.9	36.7	-36.3	0	0	0	112.8	V546 G548 A549 N575	V546-P577 HydrophobicContact CG1-CB 4.26Å; V546-P577 HydrophobicContact CG1-CG 3.64Å; G548-P577 WeakPolarHBondContact CA-O 2.97Å; A549-P577 PolarHBondContact N-O 3.16Å; N575-P577 VanDerWaalsContact C-C 3.4Å
578	A	60.1	Low	72.4	Confident	30 Å²	30	66.9 Å²	66.9	25%	0.248	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-75.7	148.8	169.8	0	0	0	0	0	111.8	C574 S580	C574-A578 WeakPolarHBondContact O-CA 3.02Å; A578-S580 PolarHBondContact O-N 3.2Å
579	P	70.4	Confident	72	Confident	47 Å²	47	66.1 Å²	66.1	31%	0.305	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-73.8	122.9	-179	29.4	-33.3	0	0	0	110.9	V546	V546-P579 WeakPolarHBondContact O-CA 3.4Å
580	S	57.5	Low	71.8	Confident	36 Å²	36	68.1 Å²	68.1	25%	0.252	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-136.9	156.6	-178.3	62.4	0	0	0	0	113.1	V546 A578 G583	V546-S580 PolarHBondContact N-O 2.96Å; V546-S580 PolarHBondContact O-N 2.92Å; A578-S580 PolarHBondContact O-N 3.2Å; S580-G583 WeakPolarHBondContact O-CA 3.13Å; S580-G583 PolarHBondContact O-N 2.83Å
581	N	56.4	Low	71.7	Confident	51 Å²	51	69 Å²	69	27%	0.273	41%	0.41	S	S	.	.	S	Bend	trans	54.6	56.3	177.9	-48.3	-68.7	0	0	0	113.9	Q543 L544 K545 G583	Q543-N581 WeakPolarHBondContact CB-ND2 3.31Å; Q543-N581 WeakPolarHBondContact CB-OD1 3.33Å; Q543-N581 VanDerWaalsContact O-CB 3.23Å; Q543-N581 WeakPolarHBondContact O-CB 3.39Å; Q543-N581 VanDerWaalsContact O-CG 3.23Å; L544-N581 WeakPolarHBondContact O-CB 3.03Å; L544-N581 PolarHBondContact O-ND2 3.33Å; K545-N581 WeakPolarHBondContact CA-O 3.31Å; K545-N581 WeakPolarHBondContact CB-O 3.21Å; N581-G583 PolarHBondContact O-N 3.17Å
582	A	57.4	Low	71.9	Confident	94 Å²	94	69 Å²	69	78%	0.777	41%	0.405	S	S	*	.	S	Bend	trans	59.8	26.4	-171	0	0	0	0	0	114.3	K545	K545-A582 WeakPolarHBondContact CE-O 3.2Å
583	G	64.3	Low	72	Confident	19 Å²	19	68.3 Å²	68.3	20%	0.196	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-50.6	141.5	160.2	0	0	0	0	0	112	V546 S580 N581	V546-G583 VanDerWaalsContact O-CA 3.24Å; V546-G583 WeakPolarHBondContact O-CA 3.32Å; S580-G583 WeakPolarHBondContact O-CA 3.13Å; S580-G583 PolarHBondContact O-N 2.83Å; N581-G583 PolarHBondContact O-N 3.17Å
584	Q	65.5	Low	72.5	Confident	138 Å²	138	65.9 Å²	65.9	65%	0.645	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-71.5	133.7	165.8	-66.4	-175.6	-16.1	0	0	108.6	D547 G548	D547-Q584 WeakPolarHBondContact OD1-CB 3.28Å; D547-Q584 PolarHBondContact OD1-N 3.15Å; G548-Q584 PolarHBondContact N-O 3.07Å
585	D	75.1	Confident	73	Confident	113 Å²	113	65.9 Å²	65.9	60%	0.604	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-62.1	156.6	171.4	-170.3	17.9	0	0	0	110.7	C574	C574-D585 PolarHBondContact SG-OD1 2.85Å
586	C	82.2	Confident	73.8	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.034	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-58.5	125.6	-170.8	-70.4	0	0	0	0	111.6	G548 A549 W550 C574 G588	G548-C586 PolarHBondContact O-SG 3.37Å; A549-C586 WeakPolarHBondContact CA-SG 3.32Å; A549-C586 PolarHBondContact N-SG 3.22Å; A549-C586 PolarHBondContact O-SG 2.86Å; W550-C586 HydrophobicContact CD2-CB 3.56Å; W550-C586 HydrophobicContact CE3-CB 3.92Å; W550-C586 HydrophobicContact CG-CB 4.13Å; W550-C586 HydrophobicContact CH2-CB 3.74Å; W550-C586 HydrophobicContact CZ2-CB 3.37Å; W550-C586 VanDerWaalsContact CZ2-O 3.31Å; W550-C586 WeakPolarHBondContact CZ2-O 3.09Å; W550-C586 HydrophobicContact CZ3-CB 4.01Å; C574-C586 WeakPolarHBondContact CA-SG 3.16Å; C574-C586 HydrophobicContact CB-CB 3.74Å; C574-C586 WeakPolarHBondContact CB-SG 3.38Å; C574-C586 WeakPolarHBondContact SG-CB 3.47Å; C574-C586 PolarHBondContact SG-N 2.75Å; C574-C586 CovalentContact SG-SG 2.01Å; C574-C586 PolarHBondContact SG-SG 2.77Å; C586-G588 PolarHBondContact O-N 3.01Å
587	P	76.3	Confident	74.4	Confident	113 Å²	113	61.3 Å²	61.3	73%	0.734	37%	0.366	S	S	*	.	S	Bend	trans	-66	114.4	-178	24.1	-32.8	0	0	0	111.3	W550	W550-P587 PolarHBondContact NE1-O 2.91Å
588	G	76.2	Confident	74.8	Confident	62 Å²	62	61.1 Å²	61.1	64%	0.639	36%	0.364	S	S	*	.	S	Bend	trans	124.1	-155.7	176.1	0	0	0	0	0	113.2	C586	C586-G588 PolarHBondContact O-N 3.01Å
589	V	78.6	Confident	75.7	Confident	74 Å²	74	65.8 Å²	65.8	45%	0.448	39%	0.385	S	S	.	.			trans	-105.8	149.2	178.2	-72.5	0	0	0	0	112.5	W550 R572 Y591	W550-V589 WeakPolarHBondContact CZ2-O 3.18Å; R572-V589 PolarHBondContact NE-O 2.95Å; R572-V589 PolarHBondContact NH2-O 2.95Å; V589-Y591 HydrophobicContact CB-CE2 4.41Å; V589-Y591 HydrophobicContact CG1-CE2 4.41Å; V589-Y591 WeakPolarHBondContact CG2-O 3.33Å
590	N	81.6	Confident	75.8	Confident	90 Å²	90	71.1 Å²	71.1	48%	0.481	41%	0.405	S	S	.	.	S	Bend	trans	-87.3	-7.6	177.3	64.7	-6.1	0	0	0	113.5	W550 T571 R572	W550-N590 HydrophobicContact CH2-CB 3.71Å; W550-N590 HydrophobicContact CZ3-CB 3.6Å; T571-N590 CarbonylContact C-O 3.56Å; T571-N590 VanDerWaalsContact CA-O 3.29Å; T571-N590 WeakPolarHBondContact CA-O 3.24Å; R572-N590 PolarHBondContact N-O 3.2Å; R572-N590 WeakPolarHBondContact O-CB 3.12Å
591	Y	81.6	Confident	76.7	Confident	80 Å²	80	71.8 Å²	71.8	31%	0.314	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	153	171.5	54.5	-102	0	0	0	110.9	R570 V589 Y593	R570-Y591 WeakPolarHBondContact O-CA 3.33Å; V589-Y591 HydrophobicContact CB-CE2 4.41Å; V589-Y591 HydrophobicContact CG1-CE2 4.41Å; V589-Y591 WeakPolarHBondContact CG2-O 3.33Å; Y591-Y593 HydrophobicContact CD2-CD2 4.19Å; Y591-Y593 HydrophobicContact CD2-CE1 4.15Å; Y591-Y593 AromaticContact CD2-CE2 3.53Å; Y591-Y593 HydrophobicContact CD2-CE2 3.53Å; Y591-Y593 AromaticContact CD2-CZ 3.5Å; Y591-Y593 HydrophobicContact CE2-CD2 4.31Å; Y591-Y593 AromaticContact CE2-CE2 3.49Å; Y591-Y593 HydrophobicContact CE2-CE2 3.49Å; Y591-Y593 VanDerWaalsContact CE2-CE2 3.49Å; Y591-Y593 AromaticContact CE2-CZ 3.79Å
592	E	84.1	Confident	77.2	Confident	59 Å²	59	75.8 Å²	75.8	28%	0.276	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.8	170.4	176.3	-178.1	178.8	0	0	109.1	W553 F569 R570	W553-E592 VanDerWaalsContact CE2-OE2 3.26Å; W553-E592 HydrophobicContact CE3-CB 4.26Å; W553-E592 HydrophobicContact CH2-CB 3.37Å; W553-E592 HydrophobicContact CZ2-CB 3.8Å; W553-E592 WeakPolarHBondContact CZ2-OE2 3.27Å; W553-E592 HydrophobicContact CZ3-CB 3.61Å; F569-E592 CarbonylContact C-O 3.45Å; F569-E592 VanDerWaalsContact CA-O 3.28Å; F569-E592 WeakPolarHBondContact CA-O 3.48Å; R570-E592 HydrophobicContact CG-CB 4.06Å; R570-E592 IonicContact CZ-OE2 3.32Å; R570-E592 PolarHBondContact N-O 2.03Å; R570-E592 IonicContact NE-OE2 2.73Å; R570-E592 PolarHBondContact NE-OE2 3.47Å; R570-E592 IonicContact NH2-OE1 2.66Å; R570-E592 PolarHBondContact NH2-OE1 3.14Å; R570-E592 IonicContact NH2-OE2 3.41Å; R570-E592 PolarHBondContact NH2-OE2 3.02Å; R570-E592 PolarHBondContact O-N 3.38Å
593	Y	85.1	Confident	77.2	Confident	33 Å²	33	78.7 Å²	78.7	13%	0.129	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	142.5	174	-56.4	-50	0	0	0	109.5	V567 F569 Y591 V676 V681 I689	V567-Y593 HydrophobicContact CG1-CD1 4.21Å; V567-Y593 HydrophobicContact CG1-CG 4.37Å; F569-Y593 HydrophobicContact CB-CD1 3.62Å; F569-Y593 HydrophobicContact CB-CE1 3.89Å; Y591-Y593 HydrophobicContact CD2-CD2 4.19Å; Y591-Y593 HydrophobicContact CD2-CE1 4.15Å; Y591-Y593 AromaticContact CD2-CE2 3.53Å; Y591-Y593 HydrophobicContact CD2-CE2 3.53Å; Y591-Y593 AromaticContact CD2-CZ 3.5Å; Y591-Y593 HydrophobicContact CE2-CD2 4.31Å; Y591-Y593 AromaticContact CE2-CE2 3.49Å; Y591-Y593 HydrophobicContact CE2-CE2 3.49Å; Y591-Y593 VanDerWaalsContact CE2-CE2 3.49Å; Y591-Y593 AromaticContact CE2-CZ 3.79Å; Y593-V676 HydrophobicContact CD1-CG1 3.7Å; Y593-V676 HydrophobicContact CD2-CG1 4.35Å; Y593-V676 HydrophobicContact CE1-CG1 3.43Å; Y593-V676 VanDerWaalsContact CE1-CG1 3.43Å; Y593-V676 HydrophobicContact CE2-CB 4.39Å; Y593-V676 HydrophobicContact CE2-CG1 4.09Å; Y593-V676 HydrophobicContact CG-CG1 4.17Å; Y593-V681 HydrophobicContact CD2-CG2 4.1Å; Y593-V681 HydrophobicContact CE2-CG2 4.09Å; Y593-I689 WeakPolarHBondContact O-CD1 3.26Å
594	Q	86.6	Confident	77.1	Confident	71 Å²	71	83.4 Å²	83.4	33%	0.332	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.2	171.6	-170.9	179.6	58.8	0	0	109.3	F556 R568	F556-Q594 HydrophobicContact CD1-CB 4.31Å; F556-Q594 HydrophobicContact CE1-CB 3.51Å; F556-Q594 HydrophobicContact CZ-CB 3.68Å; F556-Q594 HydrophobicContact CZ-CG 4.32Å; R568-Q594 HydrophobicContact CG-CB 4.28Å; R568-Q594 VanDerWaalsContact CZ-OE1 3.29Å; R568-Q594 PolarHBondContact N-O 3.25Å; R568-Q594 PolarHBondContact O-N 3.33Å; R568-Q594 VanDerWaalsContact O-O 3.11Å
595	L	87.3	Confident	76.9	Confident	26 Å²	26	80.4 Å²	80.4	14%	0.136	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	148.2	174.1	-54.9	-172.4	0	0	0	111	T565 G566 V567 T598 I674 V683 R687 I689	T565-L595 HydrophobicContact CG2-CD1 3.97Å; T565-L595 HydrophobicContact CG2-CD2 4.02Å; T565-L595 HydrophobicContact CG2-CG 4.41Å; G566-L595 WeakPolarHBondContact O-CA 3.44Å; V567-L595 HydrophobicContact CG2-CD2 4.15Å; L595-T598 HydrophobicContact CB-CG2 4.23Å; L595-I674 HydrophobicContact CD2-CD1 3.48Å; L595-I674 VanDerWaalsContact CD2-CD1 3.48Å; L595-V683 HydrophobicContact CD1-CG1 3.89Å; L595-R687 HydrophobicContact CD1-CB 3.91Å; L595-R687 WeakPolarHBondContact CD1-O 3.4Å; L595-I689 HydrophobicContact CD2-CD1 3.87Å; L595-I689 HydrophobicContact CD2-CG1 4.01Å; L595-I689 HydrophobicContact CG-CD1 4.15Å; L595-I689 HydrophobicContact CG-CG1 4.09Å
596	C	87.6	Confident	76.5	Confident	13 Å²	13	80.5 Å²	80.5	9%	0.088	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.6	177.8	49.6	0	0	0	0	109.8	C559 G566 R568 T598	C559-C596 WeakPolarHBondContact CA-SG 3.19Å; C559-C596 HydrophobicContact CB-CB 3.86Å; C559-C596 WeakPolarHBondContact CB-SG 3.49Å; C559-C596 VanDerWaalsContact SG-C 3.59Å; C559-C596 WeakPolarHBondContact SG-CB 3.34Å; C559-C596 CovalentContact SG-SG 2.02Å; C559-C596 PolarHBondContact SG-SG 3.27Å; G566-C596 PolarHBondContact N-O 2.84Å; G566-C596 PolarHBondContact O-N 3.37Å; R568-C596 HydrophobicContact CG-CB 4.24Å; R568-C596 PolarHBondContact N-SG 2.98Å; C596-T598 VanDerWaalsContact C-N 3.29Å; C596-T598 PolarHBondContact O-N 2.04Å
597	N	81.1	Confident	76.5	Confident	78 Å²	78	81 Å²	81	42%	0.417	43%	0.434	S	S	.	.			trans	49.8	49.3	178.7	-60.1	-16.6	0	0	0	113	R561 G564 T565 N599	R561-N597 WeakPolarHBondContact O-CB 3.41Å; R561-N597 PolarHBondContact O-ND2 2.88Å; G564-N597 PolarHBondContact N-O 2.93Å; T565-N597 PolarHBondContact N-O 3.12Å; T565-N597 VanDerWaalsContact N-O 3.09Å; N597-N599 PolarHBondContact O-N 3.32Å
598	T	75.3	Confident	77	Confident	51 Å²	51	77.3 Å²	77.3	31%	0.313	41%	0.407	S	S	.	.			trans	-70.3	-6.5	-178.1	47	0	0	0	0	114.4	L595 C596 R687	L595-T598 HydrophobicContact CB-CG2 4.23Å; C596-T598 VanDerWaalsContact C-N 3.29Å; C596-T598 PolarHBondContact O-N 2.04Å; T598-R687 PolarHBondContact O-NH1 3.07Å
599	N	79.7	Confident	77.6	Confident	128 Å²	128	74.4 Å²	74.4	68%	0.684	38%	0.377	S	S	*	.	S	Bend	trans	-67	142.1	177.2	-61.9	-12.1	0	0	0	110.2	G564 N597	G564-N599 PolarHBondContact N-O 2.91Å; N597-N599 PolarHBondContact O-N 3.32Å
600	E	73.3	Confident	78.1	Confident	159 Å²	159	72.2 Å²	72.2	74%	0.743	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-66.3	150	177.5	-69.9	171.4	-163.2	0	0	111.1
601	C	76.1	Confident	78.4	Confident	51 Å²	51	71.9 Å²	71.9	35%	0.345	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-74.3	138.9	-175.7	-69.6	0	0	0	0	111.2	C563 K603	C563-C601 HydrophobicContact CB-CB 4Å; C563-C601 WeakPolarHBondContact CB-SG 3.17Å; C563-C601 WeakPolarHBondContact SG-CA 3.33Å; C563-C601 WeakPolarHBondContact SG-CB 3.18Å; C563-C601 CovalentContact SG-SG 2.05Å; C563-C601 PolarHBondContact SG-SG 2.74Å; C601-K603 PolarHBondContact O-N 3.39Å
602	P	66.3	Low	78.8	Confident	135 Å²	135	68.4 Å²	68.4	88%	0.877	35%	0.349	S	S	*	.	S	Bend	trans	-70.6	-0.9	-173.9	-22.7	34.7	0	0	0	117.1
603	K	58	Low	79.1	Confident	154 Å²	154	65.6 Å²	65.6	67%	0.67	34%	0.335	S	S	*	.	S	Bend	trans	-97.4	173.6	175.6	-72	-173.8	177	-176.2	0	110.3	C601	C601-K603 PolarHBondContact O-N 3.39Å
604	H	61.7	Low	79.3	Confident	119 Å²	119	69.7 Å²	69.7	55%	0.551	36%	0.355	S	S	*	.	S	Bend	trans	-50.4	152.5	162.5	-64.5	-79.2	0	0	0	111	E606	H604-E606 PolarHBondContact O-N 2.81Å
605	F	62	Low	79.4	Confident	75 Å²	75	70.2 Å²	70.2	33%	0.329	36%	0.361	S	S	.	.			trans	-69	96.9	-176.5	179.9	-98.3	0	0	0	111.3	L776 H798	F605-L776 WeakPolarHBondContact CE1-O 3.23Å; F605-H798 HydrophobicContact CB-CB 3.64Å; F605-H798 HydrophobicContact CD1-CB 3.89Å; F605-H798 AromaticContact CD1-CD2 3.4Å; F605-H798 VanDerWaalsContact CD1-CD2 3.4Å; F605-H798 WeakPolarHBondContact CD1-CD2 3.2Å; F605-H798 AromaticContact CD1-CG 3.6Å; F605-H798 AromaticContact CD2-CD2 3.94Å; F605-H798 AromaticContact CD2-CE1 3.69Å; F605-H798 AromaticContact CD2-CG 3.82Å; F605-H798 AromaticContact CD2-ND1 3.66Å; F605-H798 AromaticContact CD2-NE2 3.88Å; F605-H798 AromaticContact CE1-CD2 3.39Å; F605-H798 WeakPolarHBondContact CE1-CD2 3.47Å; F605-H798 AromaticContact CE1-NE2 3.71Å; F605-H798 AromaticContact CE2-CD2 3.93Å; F605-H798 AromaticContact CE2-CE1 3.64Å; F605-H798 AromaticContact CE2-NE2 3.54Å; F605-H798 HydrophobicContact CG-CB 3.78Å; F605-H798 AromaticContact CG-CD2 3.68Å; F605-H798 AromaticContact CG-CG 3.46Å; F605-H798 VanDerWaalsContact CG-CG 3.46Å; F605-H798 AromaticContact CG-ND1 3.77Å; F605-H798 AromaticContact CZ-CD2 3.67Å; F605-H798 AromaticContact CZ-NE2 3.44Å; F605-H798 WeakPolarHBondContact CZ-NE2 3.25Å
606	E	66.4	Low	79.3	Confident	114 Å²	114	72.8 Å²	72.8	53%	0.533	37%	0.369	S	S	.	.			trans	-90.9	121.4	173.6	-71.8	165.4	-173.2	0	0	108.8	H604 F608	H604-E606 PolarHBondContact O-N 2.81Å; E606-F608 PolarHBondContact O-N 2.93Å
607	D	82.1	Confident	79.2	Confident	15 Å²	15	73.2 Å²	73.2	8%	0.08	37%	0.37	C	S	.	.			trans	-69.6	114.7	179.4	177.1	40.7	0	0	0	110.7	R609 A610 Q611 R665 Y668	D607-R609 PolarHBondContact O-N 2.85Å; D607-R609 VanDerWaalsContact O-N 3.15Å; D607-A610 HydrophobicContact CB-CB 3.88Å; D607-A610 WeakPolarHBondContact O-CA 3.24Å; D607-A610 VanDerWaalsContact O-CB 3.31Å; D607-A610 WeakPolarHBondContact O-CB 3.32Å; D607-A610 PolarHBondContact O-N 2.58Å; D607-A610 PolarHBondContact OD2-N 2.86Å; D607-Q611 PolarHBondContact O-N 2.77Å; D607-R665 IonicContact OD1-CZ 3.64Å; D607-R665 IonicContact OD1-NE 2.85Å; D607-R665 PolarHBondContact OD1-NE 2.98Å; D607-R665 IonicContact OD1-NH2 3.91Å; D607-R665 PolarHBondContact OD1-NH2 2.73Å; D607-Y668 WeakPolarHBondContact OD2-CE1 3.4Å; D607-Y668 PolarHBondContact OD2-OH 3.17Å
608	F	85.9	Confident	79	Confident	36 Å²	36	72.7 Å²	72.7	16%	0.158	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-24.3	-169.9	-169.6	-134.7	0	0	0	113.7	R561 E606 Q612 Q661 T664	R561-F608 HydrophobicContact CG-CE1 4.37Å; E606-F608 PolarHBondContact O-N 2.93Å; F608-Q612 WeakPolarHBondContact O-CG 3.19Å; F608-Q612 PolarHBondContact O-N 2.78Å; F608-Q612 PolarHBondContact O-NE2 2.92Å; F608-Q661 HydrophobicContact CE1-CB 3.91Å; F608-Q661 HydrophobicContact CZ-CB 4.19Å; F608-T664 HydrophobicContact CD1-CG2 4.27Å; F608-T664 WeakPolarHBondContact CD1-OG1 3Å; F608-T664 WeakPolarHBondContact CE1-OG1 3.15Å
609	R	90	Very high	79	Confident	1 Å²	1	76.1 Å²	76.1	0%	0.004	39%	0.389	C	S	.	.	H	α-helix	trans	-73.6	-41.9	169.6	-175.5	-174.8	-61.3	-113.8	-10.5	111.4	D607 Q611 Q612 C613 P631 Y632 R640 T664 R665 C666 Y668	D607-R609 PolarHBondContact O-N 2.85Å; D607-R609 VanDerWaalsContact O-N 3.15Å; R609-Q611 VanDerWaalsContact C-N 3.28Å; R609-Q611 PolarHBondContact O-N 3.45Å; R609-Q612 PolarHBondContact O-N 2.7Å; R609-C613 PolarHBondContact O-N 3.5Å; R609-P631 HydrophobicContact CG-CB 4.3Å; R609-Y632 WeakPolarHBondContact CD-O 3.47Å; R609-Y632 PolarHBondContact NH1-O 2.79Å; R609-R640 VanDerWaalsContact CZ-O 3.27Å; R609-R640 PolarHBondContact NH1-O 3.21Å; R609-R640 PolarHBondContact NH2-O 3.12Å; R609-T664 HydrophobicContact CB-CG2 3.98Å; R609-R665 PolarHBondContact NH2-O 3.48Å; R609-C666 PolarHBondContact NH2-O 3.23Å; R609-Y668 WeakPolarHBondContact CB-OH 3.45Å; R609-Y668 WeakPolarHBondContact CD-OH 3.05Å
610	A	88.6	Confident	79	Confident	29 Å²	29	72.3 Å²	72.3	24%	0.24	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-39	174.8	0	0	0	0	0	111.6	D607 C613 H614 P631	D607-A610 HydrophobicContact CB-CB 3.88Å; D607-A610 WeakPolarHBondContact O-CA 3.24Å; D607-A610 VanDerWaalsContact O-CB 3.31Å; D607-A610 WeakPolarHBondContact O-CB 3.32Å; D607-A610 PolarHBondContact O-N 2.58Å; D607-A610 PolarHBondContact OD2-N 2.86Å; A610-C613 PolarHBondContact O-N 3.11Å; A610-H614 WeakPolarHBondContact O-CB 3.29Å; A610-H614 PolarHBondContact O-N 2.91Å; A610-P631 HydrophobicContact CB-CB 4.01Å; A610-P631 HydrophobicContact CB-CG 3.75Å
611	Q	88.2	Confident	79.3	Confident	83 Å²	83	70.4 Å²	70.4	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-51.4	171.4	-172.1	-174.2	-5.6	0	0	111.5	D607 R609 C613 H614 D615	D607-Q611 PolarHBondContact O-N 2.77Å; R609-Q611 VanDerWaalsContact C-N 3.28Å; R609-Q611 PolarHBondContact O-N 3.45Å; Q611-C613 PolarHBondContact O-N 2.97Å; Q611-H614 PolarHBondContact O-N 2.78Å; Q611-D615 VanDerWaalsContact O-CG 3.24Å; Q611-D615 PolarHBondContact O-N 3.47Å
612	Q	90.3	Very high	79.4	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.028	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-29.8	178.8	-74	166.8	77.2	0	0	113.6	F608 R609 R616 L643 T664	F608-Q612 WeakPolarHBondContact O-CG 3.19Å; F608-Q612 PolarHBondContact O-N 2.78Å; F608-Q612 PolarHBondContact O-NE2 2.92Å; R609-Q612 PolarHBondContact O-N 2.7Å; Q612-R616 WeakPolarHBondContact O-CG 3.16Å; Q612-L643 HydrophobicContact CB-CD1 3.92Å; Q612-L643 HydrophobicContact CB-CD2 4.24Å; Q612-T664 PolarHBondContact NE2-OG1 3.46Å
613	C	90.3	Very high	80.2	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-73.1	-49.2	168.1	-66.9	0	0	0	0	111.6	R609 A610 Q611 D615 R616 W629 C645	R609-C613 PolarHBondContact O-N 3.5Å; A610-C613 PolarHBondContact O-N 3.11Å; Q611-C613 PolarHBondContact O-N 2.97Å; C613-D615 VanDerWaalsContact C-N 3.32Å; C613-D615 PolarHBondContact O-N 3.37Å; C613-R616 VanDerWaalsContact O-CB 3.3Å; C613-R616 WeakPolarHBondContact O-CB 3.49Å; C613-R616 PolarHBondContact O-N 3.04Å; C613-W629 HydrophobicContact CB-CB 3.91Å; C613-W629 WeakPolarHBondContact O-CB 3.35Å; C613-C645 WeakPolarHBondContact CA-SG 3.28Å; C613-C645 HydrophobicContact CB-CB 3.84Å; C613-C645 WeakPolarHBondContact CB-SG 3.33Å; C613-C645 WeakPolarHBondContact SG-CB 3.27Å; C613-C645 CovalentContact SG-SG 2.04Å; C613-C645 PolarHBondContact SG-SG 3.37Å
614	H	89	Confident	81.2	Confident	119 Å²	119	70.7 Å²	70.7	55%	0.551	35%	0.349	S	S	*	.	H	α-helix	trans	-59.7	-38.8	-177.2	-169	97.9	0	0	0	113.2	A610 Q611 R616 N617	A610-H614 WeakPolarHBondContact O-CB 3.29Å; A610-H614 PolarHBondContact O-N 2.91Å; Q611-H614 PolarHBondContact O-N 2.78Å; H614-R616 PolarHBondContact O-N 3.27Å; H614-N617 PolarHBondContact ND1-ND2 3.48Å; H614-N617 WeakPolarHBondContact O-CB 3.24Å; H614-N617 PolarHBondContact O-N 2.78Å; H614-N617 PolarHBondContact O-ND2 3.1Å
615	D	87.7	Confident	82.1	Confident	83 Å²	83	67.2 Å²	67.2	44%	0.444	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-10.1	176.2	-66.3	-21.1	0	0	0	113.2	Q611 C613	Q611-D615 VanDerWaalsContact O-CG 3.24Å; Q611-D615 PolarHBondContact O-N 3.47Å; C613-D615 VanDerWaalsContact C-N 3.32Å; C613-D615 PolarHBondContact O-N 3.37Å
616	R	86.5	Confident	83.2	Confident	80 Å²	80	69.3 Å²	69.3	30%	0.302	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-12.6	178.9	-60.3	-77.3	169.2	-151.2	-2.1	113.5	Q612 C613 H614 S618 N619 F620 L656	Q612-R616 WeakPolarHBondContact O-CG 3.16Å; C613-R616 VanDerWaalsContact O-CB 3.3Å; C613-R616 WeakPolarHBondContact O-CB 3.49Å; C613-R616 PolarHBondContact O-N 3.04Å; H614-R616 PolarHBondContact O-N 3.27Å; R616-S618 VanDerWaalsContact C-N 3.3Å; R616-S618 PolarHBondContact O-N 2.72Å; R616-N619 PolarHBondContact O-N 3.33Å; R616-N619 VanDerWaalsContact O-N 3.11Å; R616-F620 HydrophobicContact CB-CB 4.19Å; R616-F620 PolarHBondContact O-N 3Å; R616-L656 HydrophobicContact CB-CD1 3.88Å; R616-L656 HydrophobicContact CG-CD1 3.69Å
617	N	84.9	Confident	84.1	Confident	21 Å²	21	64.3 Å²	64.3	11%	0.112	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.3	-176.3	-65.6	-16.1	0	0	0	113.7	H614 H627 H628 W629	H614-N617 PolarHBondContact ND1-ND2 3.48Å; H614-N617 WeakPolarHBondContact O-CB 3.24Å; H614-N617 PolarHBondContact O-N 2.78Å; H614-N617 PolarHBondContact O-ND2 3.1Å; N617-H627 PolarHBondContact OD1-O 2.36Å; N617-H628 WeakPolarHBondContact OD1-CA 3.01Å; N617-W629 PolarHBondContact OD1-N 3.06Å
618	S	77.3	Confident	84.5	Confident	68 Å²	68	68.8 Å²	68.8	48%	0.476	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-26.7	179.9	56.9	0	0	0	0	113.6	R616 K626	R616-S618 VanDerWaalsContact C-N 3.3Å; R616-S618 PolarHBondContact O-N 2.72Å; S618-K626 PolarHBondContact O-NZ 3.09Å
619	N	74.8	Confident	84.6	Confident	122 Å²	122	67.3 Å²	67.3	65%	0.652	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-9.1	-158.1	-64.6	-3.6	0	0	0	114.3	R616	R616-N619 PolarHBondContact O-N 3.33Å; R616-N619 VanDerWaalsContact O-N 3.11Å
620	F	79.6	Confident	84.6	Confident	48 Å²	48	70.5 Å²	70.5	21%	0.211	36%	0.357	C	S	.	.			trans	-123.2	110.3	-179.6	-174.3	-97.1	0	0	0	110.9	R616 F622 W629 L656	R616-F620 HydrophobicContact CB-CB 4.19Å; R616-F620 PolarHBondContact O-N 3Å; F620-F622 HydrophobicContact CD1-CB 4.38Å; F620-F622 HydrophobicContact CE1-CB 3.91Å; F620-F622 HydrophobicContact CE1-CD2 4.22Å; F620-F622 HydrophobicContact CE1-CG 4.45Å; F620-W629 AromaticContact CD1-CE2 3.87Å; F620-W629 AromaticContact CD1-CZ2 3.6Å; F620-W629 HydrophobicContact CD1-CZ2 3.6Å; F620-W629 AromaticContact CD1-NE1 3.92Å; F620-W629 HydrophobicContact CE1-CH2 4.34Å; F620-W629 AromaticContact CE1-CZ2 3.83Å; F620-W629 HydrophobicContact CE1-CZ2 3.83Å; F620-L656 HydrophobicContact CD1-CD2 3.65Å; F620-L656 HydrophobicContact CE1-CD2 3.39Å; F620-L656 HydrophobicContact CG-CD2 4.31Å; F620-L656 HydrophobicContact CZ-CD2 3.89Å
621	E	79	Confident	84.8	Confident	120 Å²	120	69.9 Å²	69.9	56%	0.561	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.2	172.4	-75	168	-159.5	0	0	110	A625 K626	E621-A625 CarbonylContact C-O 3.58Å; E621-A625 VanDerWaalsContact CA-O 3.24Å; E621-A625 WeakPolarHBondContact CA-O 3.45Å; E621-K626 HydrophobicContact CG-CD 4.38Å; E621-K626 HydrophobicContact CG-CG 3.6Å; E621-K626 WeakPolarHBondContact OE1-CE 2.93Å; E621-K626 IonicContact OE1-NZ 3.51Å
622	F	79.8	Confident	84.9	Confident	52 Å²	52	68.8 Å²	68.8	23%	0.228	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.6	178.8	-177.7	-110.4	0	0	0	107.8	F620 N624 A625 H627 W629 D652 A654	F620-F622 HydrophobicContact CD1-CB 4.38Å; F620-F622 HydrophobicContact CE1-CB 3.91Å; F620-F622 HydrophobicContact CE1-CD2 4.22Å; F620-F622 HydrophobicContact CE1-CG 4.45Å; F622-N624 PolarHBondContact O-N 2.93Å; F622-A625 PolarHBondContact N-O 3.02Å; F622-A625 PolarHBondContact O-N 2.78Å; F622-H627 AromaticContact CD1-NE2 3.93Å; F622-H627 PolarHBondContact O-NE2 3.14Å; F622-W629 HydrophobicContact CB-CH2 3.81Å; F622-W629 HydrophobicContact CB-CZ2 3.72Å; F622-W629 AromaticContact CD1-CH2 3.97Å; F622-W629 HydrophobicContact CD1-CH2 3.97Å; F622-W629 AromaticContact CG-CH2 3.91Å; F622-W629 HydrophobicContact CG-CH2 3.91Å; F622-W629 HydrophobicContact CG-CZ2 4.33Å; F622-D652 HydrophobicContact CE1-CB 3.89Å; F622-A654 HydrophobicContact CD2-CB 4.01Å; F622-A654 HydrophobicContact CE1-CB 4.41Å; F622-A654 HydrophobicContact CE2-CB 3.83Å; F622-A654 HydrophobicContact CG-CB 4.4Å; F622-A654 HydrophobicContact CZ-CB 4.04Å
623	Q	82.6	Confident	84.9	Confident	132 Å²	132	69.7 Å²	69.7	62%	0.617	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	36.2	-174	-54.5	-179	29.5	0	0	113.8	A625 D652	Q623-A625 VanDerWaalsContact C-N 3.29Å; Q623-A625 PolarHBondContact O-N 3Å; Q623-D652 PolarHBondContact NE2-OD2 3.5Å
624	N	77.7	Confident	84.9	Confident	162 Å²	162	70.9 Å²	70.9	87%	0.866	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	23.2	-176.6	-52.9	-15.3	0	0	0	115.5	F622	F622-N624 PolarHBondContact O-N 2.93Å
625	A	82	Confident	84.8	Confident	46 Å²	46	69 Å²	69	38%	0.38	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.4	172.6	0	0	0	0	0	111.9	E621 F622 Q623 H627	E621-A625 CarbonylContact C-O 3.58Å; E621-A625 VanDerWaalsContact CA-O 3.24Å; E621-A625 WeakPolarHBondContact CA-O 3.45Å; F622-A625 PolarHBondContact N-O 3.02Å; F622-A625 PolarHBondContact O-N 2.78Å; Q623-A625 VanDerWaalsContact C-N 3.29Å; Q623-A625 PolarHBondContact O-N 3Å; A625-H627 PolarHBondContact O-CD2 3.21Å; A625-H627 VanDerWaalsContact O-CD2 3.29Å
626	K	84.6	Confident	84.8	Confident	119 Å²	119	68.6 Å²	68.6	52%	0.517	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.1	168.2	-64.8	-167.5	-179.1	-162.2	0	109.4	S618 E621	S618-K626 PolarHBondContact O-NZ 3.09Å; E621-K626 HydrophobicContact CG-CD 4.38Å; E621-K626 HydrophobicContact CG-CG 3.6Å; E621-K626 WeakPolarHBondContact OE1-CE 2.93Å; E621-K626 IonicContact OE1-NZ 3.51Å
627	H	85.9	Confident	84.6	Confident	9 Å²	9	67.5 Å²	67.5	4%	0.042	36%	0.357	C	S	.	.			trans	-122.9	153	-176	-59.1	-105.6	0	0	0	110.1	N617 F622 A625 W629 S647 E649	N617-H627 PolarHBondContact OD1-O 2.36Å; F622-H627 AromaticContact CD1-NE2 3.93Å; F622-H627 PolarHBondContact O-NE2 3.14Å; A625-H627 PolarHBondContact O-CD2 3.21Å; A625-H627 VanDerWaalsContact O-CD2 3.29Å; H627-W629 HydrophobicContact CB-CD2 4.37Å; H627-W629 HydrophobicContact CB-CH2 4.2Å; H627-W629 HydrophobicContact CB-CZ2 3.77Å; H627-W629 AromaticContact CD2-CZ2 3.99Å; H627-S647 WeakPolarHBondContact ND1-CB 3.23Å; H627-S647 PolarHBondContact ND1-OG 3Å; H627-E649 VanDerWaalsContact CA-OE2 3.28Å; H627-E649 WeakPolarHBondContact CA-OE2 3.06Å; H627-E649 WeakPolarHBondContact CB-OE2 3.49Å; H627-E649 IonicContact ND1-OE2 3.03Å
628	H	89	Confident	84.4	Confident	108 Å²	108	73.3 Å²	73.3	50%	0.5	39%	0.388	S	S	.	.			trans	-88.2	110.9	166.1	-63.5	88.4	0	0	0	109	N617 K648 E649	N617-H628 WeakPolarHBondContact OD1-CA 3.01Å; H628-K648 HydrophobicContact CB-CB 4.09Å; H628-K648 HydrophobicContact CB-CD 4.4Å; H628-K648 VanDerWaalsContact O-CB 3.3Å; H628-K648 WeakPolarHBondContact O-CB 3.48Å; H628-K648 PolarHBondContact O-N 2.68Å; H628-E649 IonicContact CE1-OE1 2.64Å; H628-E649 IonicContact CG-OE1 3.9Å; H628-E649 PolarHBondContact N-OE1 2.91Å; H628-E649 PolarHBondContact N-OE2 3.28Å; H628-E649 IonicContact ND1-OE1 2.72Å; H628-E649 PolarHBondContact ND1-OE1 2.59Å
629	W	89.9	Confident	84.9	Confident	6 Å²	6	73.6 Å²	73.6	2%	0.023	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.9	-175.1	-63.2	107.1	0	0	0	111.7	C613 N617 F620 F622 H627 C645 Q646 A654 L656	C613-W629 HydrophobicContact CB-CB 3.91Å; C613-W629 WeakPolarHBondContact O-CB 3.35Å; N617-W629 PolarHBondContact OD1-N 3.06Å; F620-W629 AromaticContact CD1-CE2 3.87Å; F620-W629 AromaticContact CD1-CZ2 3.6Å; F620-W629 HydrophobicContact CD1-CZ2 3.6Å; F620-W629 AromaticContact CD1-NE1 3.92Å; F620-W629 HydrophobicContact CE1-CH2 4.34Å; F620-W629 AromaticContact CE1-CZ2 3.83Å; F620-W629 HydrophobicContact CE1-CZ2 3.83Å; F622-W629 HydrophobicContact CB-CH2 3.81Å; F622-W629 HydrophobicContact CB-CZ2 3.72Å; F622-W629 AromaticContact CD1-CH2 3.97Å; F622-W629 HydrophobicContact CD1-CH2 3.97Å; F622-W629 AromaticContact CG-CH2 3.91Å; F622-W629 HydrophobicContact CG-CH2 3.91Å; F622-W629 HydrophobicContact CG-CZ2 4.33Å; H627-W629 HydrophobicContact CB-CD2 4.37Å; H627-W629 HydrophobicContact CB-CH2 4.2Å; H627-W629 HydrophobicContact CB-CZ2 3.77Å; H627-W629 AromaticContact CD2-CZ2 3.99Å; W629-C645 HydrophobicContact CB-CB 3.91Å; W629-C645 HydrophobicContact CD2-CB 4.34Å; W629-C645 HydrophobicContact CE3-CB 3.88Å; W629-C645 HydrophobicContact CG-CB 4.38Å; W629-Q646 WeakPolarHBondContact CA-O 3.33Å; W629-A654 HydrophobicContact CH2-CB 3.55Å; W629-A654 HydrophobicContact CZ3-CB 3.54Å; W629-L656 HydrophobicContact CD2-CD2 4.31Å; W629-L656 HydrophobicContact CE3-CD2 4.4Å; W629-L656 HydrophobicContact CG-CD1 4.49Å; W629-L656 HydrophobicContact CH2-CD2 4.47Å; W629-L656 HydrophobicContact CZ2-CD2 4.37Å; W629-L656 HydrophobicContact CZ3-CD2 4.48Å
630	L	89	Confident	85.6	Confident	67 Å²	67	70.8 Å²	70.8	35%	0.351	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	150	175.7	-59	178.7	0	0	0	110.7	C645 Q646 K648	L630-C645 CarbonylContact O-C 3.46Å; L630-C645 VanDerWaalsContact O-CA 3.31Å; L630-C645 WeakPolarHBondContact O-CA 2.82Å; L630-C645 WeakPolarHBondContact O-CB 3.13Å; L630-Q646 PolarHBondContact N-O 3.37Å; L630-Q646 PolarHBondContact O-N 2.93Å; L630-K648 HydrophobicContact CD1-CB 4.11Å; L630-K648 HydrophobicContact CD1-CG 4.32Å; L630-K648 HydrophobicContact CG-CB 4.27Å
631	P	91.8	Very high	86.3	Confident	16 Å²	16	68.6 Å²	68.6	10%	0.104	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.3	176.2	27	-36.4	0	0	0	111.8	R609 A610 I774	R609-P631 HydrophobicContact CG-CB 4.3Å; A610-P631 HydrophobicContact CB-CB 4.01Å; A610-P631 HydrophobicContact CB-CG 3.75Å; P631-I774 HydrophobicContact CB-CG2 3.97Å; P631-I774 HydrophobicContact CG-CB 4.06Å; P631-I774 HydrophobicContact CG-CG2 3.65Å
632	Y	91.2	Very high	86.9	Confident	61 Å²	61	65.3 Å²	65.3	24%	0.239	34%	0.336	C	S	.	.			trans	-130.6	141.6	176.4	-174.1	-98.8	0	0	0	111.6	R609 H634 Q646 V653	R609-Y632 WeakPolarHBondContact CD-O 3.47Å; R609-Y632 PolarHBondContact NH1-O 2.79Å; Y632-H634 HydrophobicContact CE1-CB 4.38Å; Y632-Q646 HydrophobicContact CD2-CB 4.48Å; Y632-V653 HydrophobicContact CD1-CG1 3.61Å; Y632-V653 HydrophobicContact CD1-CG2 4.43Å; Y632-V653 HydrophobicContact CD2-CG2 3.93Å; Y632-V653 HydrophobicContact CE1-CG1 3.61Å; Y632-V653 HydrophobicContact CE1-CG2 4.2Å; Y632-V653 HydrophobicContact CE2-CG2 3.69Å; Y632-V653 HydrophobicContact CG-CG1 4.08Å; Y632-V653 HydrophobicContact CG-CG2 4.3Å
633	E	90.2	Very high	87.4	Confident	24 Å²	24	62.9 Å²	62.9	11%	0.112	33%	0.325	C	S	.	.			trans	-108	119.2	169.8	-177.5	177.7	165.5	0	0	109	R640 S667 Y668 I774	E633-R640 HydrophobicContact CG-CG 3.92Å; E633-R640 VanDerWaalsContact OE1-CD 3.25Å; E633-R640 WeakPolarHBondContact OE1-CD 3.34Å; E633-R640 IonicContact OE1-CZ 2.61Å; E633-R640 IonicContact OE1-NE 3.11Å; E633-R640 PolarHBondContact OE1-NE 2.82Å; E633-R640 IonicContact OE1-NH1 2.8Å; E633-R640 PolarHBondContact OE1-NH1 3Å; E633-S667 VanDerWaalsContact CD-OG 3.25Å; E633-S667 WeakPolarHBondContact OE1-CA 3.35Å; E633-S667 WeakPolarHBondContact OE1-CB 3.31Å; E633-S667 PolarHBondContact OE1-OG 3.1Å; E633-S667 VanDerWaalsContact OE2-CA 3.25Å; E633-S667 WeakPolarHBondContact OE2-CA 3.24Å; E633-S667 PolarHBondContact OE2-OG 3.28Å; E633-S667 VanDerWaalsContact OE2-OG 3.1Å; E633-Y668 HydrophobicContact CB-CD2 4.14Å; E633-Y668 HydrophobicContact CB-CE2 4.37Å; E633-Y668 WeakPolarHBondContact OE2-CD2 3.35Å; E633-Y668 PolarHBondContact OE2-N 3.15Å; E633-I774 HydrophobicContact CB-CD1 4.1Å
634	H	89.9	Confident	87.9	Confident	26 Å²	26	58.4 Å²	58.4	12%	0.12	30%	0.303	C	S	.	.			trans	-70.6	135.3	178	-165.9	-67	0	0	0	110.9	Y632 D636 K639 R640 Y644	Y632-H634 HydrophobicContact CE1-CB 4.38Å; H634-D636 IonicContact CE1-OD1 2.93Å; H634-D636 IonicContact CE1-OD2 3.73Å; H634-D636 PolarHBondContact CE1-OD2 2.68Å; H634-D636 VanDerWaalsContact CE1-OD2 3.28Å; H634-D636 PolarHBondContact ND1-N 3.16Å; H634-D636 VanDerWaalsContact ND1-N 3.1Å; H634-D636 IonicContact ND1-OD1 3.3Å; H634-D636 IonicContact ND1-OD2 3.58Å; H634-D636 PolarHBondContact O-N 2.79Å; H634-K639 HydrophobicContact CB-CB 3.86Å; H634-K639 WeakPolarHBondContact CE1-CD 3.42Å; H634-K639 WeakPolarHBondContact NE2-CD 3.25Å; H634-R640 WeakPolarHBondContact O-CG 3.12Å; H634-R640 PolarHBondContact O-NE 3.46Å; H634-Y644 HydrophobicContact CB-CD2 4.16Å; H634-Y644 HydrophobicContact CB-CE2 4.45Å; H634-Y644 AromaticContact CD2-CE2 3.76Å; H634-Y644 AromaticContact CD2-CZ 3.76Å
635	P	87.6	Confident	88.5	Confident	78 Å²	78	50.7 Å²	50.7	51%	0.506	26%	0.262	S	S	.	.	S	Bend	trans	-55.6	-50.8	179.1	18.3	-31.3	0	0	0	112.7	A637 R640	P635-A637 PolarHBondContact O-N 2.76Å; P635-R640 PolarHBondContact O-NE 3.13Å; P635-R640 PolarHBondContact O-NH2 3.3Å
636	D	87.4	Confident	89	Confident	76 Å²	76	51.6 Å²	51.6	41%	0.406	26%	0.258	S	S	.	.	S	Bend	trans	-59.3	120.2	172.9	-43.9	-7.2	0	0	0	111.6	H634 N638 K639	H634-D636 IonicContact CE1-OD1 2.93Å; H634-D636 IonicContact CE1-OD2 3.73Å; H634-D636 PolarHBondContact CE1-OD2 2.68Å; H634-D636 VanDerWaalsContact CE1-OD2 3.28Å; H634-D636 PolarHBondContact ND1-N 3.16Å; H634-D636 VanDerWaalsContact ND1-N 3.1Å; H634-D636 IonicContact ND1-OD1 3.3Å; H634-D636 IonicContact ND1-OD2 3.58Å; H634-D636 PolarHBondContact O-N 2.79Å; D636-N638 VanDerWaalsContact C-N 3.29Å; D636-N638 PolarHBondContact O-N 3.35Å; D636-K639 HydrophobicContact CB-CB 4.4Å; D636-K639 HydrophobicContact CB-CD 4.13Å; D636-K639 HydrophobicContact CB-CG 4.41Å; D636-K639 PolarHBondContact O-N 3.01Å; D636-K639 WeakPolarHBondContact OD2-CD 3.37Å; D636-K639 VanDerWaalsContact OD2-CE 3.31Å; D636-K639 WeakPolarHBondContact OD2-CE 3.38Å; D636-K639 IonicContact OD2-NZ 2.68Å; D636-K639 PolarHBondContact OD2-NZ 3.43Å
637	A	82.3	Confident	89.3	Confident	56 Å²	56	46 Å²	46	46%	0.463	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-54.2	-43.4	-178.5	0	0	0	0	0	113	P635 K639 R640	P635-A637 PolarHBondContact O-N 2.76Å; A637-K639 PolarHBondContact O-N 3.07Å; A637-R640 WeakPolarHBondContact O-CB 3.25Å; A637-R640 PolarHBondContact O-N 3.11Å
638	N	82.1	Confident	89.3	Confident	144 Å²	144	52 Å²	52	77%	0.77	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-63.8	-13.2	-178.5	-57.4	23	0	0	0	113.9	D636	D636-N638 VanDerWaalsContact C-N 3.29Å; D636-N638 PolarHBondContact O-N 3.35Å
639	K	87.8	Confident	89.1	Confident	73 Å²	73	51.5 Å²	51.5	32%	0.317	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-105.8	-5.6	178.1	-71.4	173.7	-173.7	161.1	0	113	H634 D636 A637 C641 H642 Y644	H634-K639 HydrophobicContact CB-CB 3.86Å; H634-K639 WeakPolarHBondContact CE1-CD 3.42Å; H634-K639 WeakPolarHBondContact NE2-CD 3.25Å; D636-K639 HydrophobicContact CB-CB 4.4Å; D636-K639 HydrophobicContact CB-CD 4.13Å; D636-K639 HydrophobicContact CB-CG 4.41Å; D636-K639 PolarHBondContact O-N 3.01Å; D636-K639 WeakPolarHBondContact OD2-CD 3.37Å; D636-K639 VanDerWaalsContact OD2-CE 3.31Å; D636-K639 WeakPolarHBondContact OD2-CE 3.38Å; D636-K639 IonicContact OD2-NZ 2.68Å; D636-K639 PolarHBondContact OD2-NZ 3.43Å; A637-K639 PolarHBondContact O-N 3.07Å; K639-C641 PolarHBondContact O-N 2.91Å; K639-H642 WeakPolarHBondContact O-CB 3.43Å; K639-H642 PolarHBondContact O-N 2.97Å; K639-H642 VanDerWaalsContact O-N 3.12Å; K639-Y644 HydrophobicContact CB-CE2 3.95Å; K639-Y644 HydrophobicContact CG-CE2 4.48Å
640	R	89.4	Confident	88.8	Confident	63 Å²	63	54.7 Å²	54.7	24%	0.238	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.7	-175.1	-72.2	-178.4	-169.3	-178	15	114.2	R609 E633 H634 P635 A637 C666 S667	R609-R640 VanDerWaalsContact CZ-O 3.27Å; R609-R640 PolarHBondContact NH1-O 3.21Å; R609-R640 PolarHBondContact NH2-O 3.12Å; E633-R640 HydrophobicContact CG-CG 3.92Å; E633-R640 VanDerWaalsContact OE1-CD 3.25Å; E633-R640 WeakPolarHBondContact OE1-CD 3.34Å; E633-R640 IonicContact OE1-CZ 2.61Å; E633-R640 IonicContact OE1-NE 3.11Å; E633-R640 PolarHBondContact OE1-NE 2.82Å; E633-R640 IonicContact OE1-NH1 2.8Å; E633-R640 PolarHBondContact OE1-NH1 3Å; H634-R640 WeakPolarHBondContact O-CG 3.12Å; H634-R640 PolarHBondContact O-NE 3.46Å; P635-R640 PolarHBondContact O-NE 3.13Å; P635-R640 PolarHBondContact O-NH2 3.3Å; A637-R640 WeakPolarHBondContact O-CB 3.25Å; A637-R640 PolarHBondContact O-N 3.11Å; R640-C666 WeakPolarHBondContact CB-O 3.19Å; R640-S667 PolarHBondContact NH1-OG 3.46Å
641	C	92.7	Very high	88.6	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.014	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	10.2	178.3	-65.4	0	0	0	0	113.5	K639 V660 C675 G678	K639-C641 PolarHBondContact O-N 2.91Å; C641-V660 PolarHBondContact O-N 2.95Å; C641-C675 WeakPolarHBondContact CA-SG 3.23Å; C641-C675 HydrophobicContact CB-CB 3.58Å; C641-C675 WeakPolarHBondContact CB-SG 3.39Å; C641-C675 WeakPolarHBondContact SG-CA 3.46Å; C641-C675 WeakPolarHBondContact SG-CB 3.34Å; C641-C675 CovalentContact SG-SG 2.03Å; C641-C675 PolarHBondContact SG-SG 3.4Å; C641-G678 VanDerWaalsContact CB-O 3.25Å; C641-G678 WeakPolarHBondContact CB-O 3.33Å
642	H	91.7	Very high	88.4	Confident	52 Å²	52	55.3 Å²	55.3	24%	0.241	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	142.8	160.2	-58.8	172.8	0	0	0	108.9	K639 Y644 Y655 L659	K639-H642 WeakPolarHBondContact O-CB 3.43Å; K639-H642 PolarHBondContact O-N 2.97Å; K639-H642 VanDerWaalsContact O-N 3.12Å; H642-Y644 VanDerWaalsContact C-N 3.3Å; H642-Y644 HydrophobicContact CB-CD2 3.91Å; H642-Y644 HydrophobicContact CB-CE2 3.67Å; H642-Y644 PolarHBondContact O-N 3.01Å; H642-Y655 HydrophobicContact CB-CD2 4.25Å; H642-Y655 HydrophobicContact CB-CE2 3.77Å; H642-L659 VanDerWaalsContact CD2-CD2 3.45Å; H642-L659 WeakPolarHBondContact CD2-CD2 3.41Å
643	L	91.1	Very high	88.3	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	82.2	-178.7	-171.1	64.6	0	0	0	110.3	Q612 L656 Q658 V660	Q612-L643 HydrophobicContact CB-CD1 3.92Å; Q612-L643 HydrophobicContact CB-CD2 4.24Å; L643-L656 HydrophobicContact CD2-CB 4.36Å; L643-L656 HydrophobicContact CD2-CD1 4.31Å; L643-L656 HydrophobicContact CG-CB 4.45Å; L643-L656 HydrophobicContact CG-CD1 4.43Å; L643-L656 PolarHBondContact O-N 2.96Å; L643-Q658 HydrophobicContact CB-CB 4.48Å; L643-Q658 VanDerWaalsContact CB-O 3.22Å; L643-Q658 WeakPolarHBondContact CB-O 3.31Å; L643-Q658 HydrophobicContact CD2-CB 4.47Å; L643-Q658 PolarHBondContact N-O 3.15Å; L643-V660 HydrophobicContact CB-CG2 4.14Å; L643-V660 HydrophobicContact CD1-CG2 4.19Å
644	Y	91.8	Very high	88.2	Confident	38 Å²	38	54 Å²	54	15%	0.149	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	135	161.5	-69.6	-88.4	0	0	0	109.4	H634 K639 H642 V653 A654 Y655	H634-Y644 HydrophobicContact CB-CD2 4.16Å; H634-Y644 HydrophobicContact CB-CE2 4.45Å; H634-Y644 AromaticContact CD2-CE2 3.76Å; H634-Y644 AromaticContact CD2-CZ 3.76Å; K639-Y644 HydrophobicContact CB-CE2 3.95Å; K639-Y644 HydrophobicContact CG-CE2 4.48Å; H642-Y644 VanDerWaalsContact C-N 3.3Å; H642-Y644 HydrophobicContact CB-CD2 3.91Å; H642-Y644 HydrophobicContact CB-CE2 3.67Å; H642-Y644 PolarHBondContact O-N 3.01Å; Y644-V653 HydrophobicContact CD1-CG1 3.97Å; Y644-A654 WeakPolarHBondContact CA-O 3.43Å; Y644-Y655 HydrophobicContact CE1-CG 4.32Å; Y644-Y655 HydrophobicContact CE2-CD2 4.41Å
645	C	92.1	Very high	88.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.8	173.3	-56.6	0	0	0	0	109.2	C613 W629 L630 A654 L656	C613-C645 WeakPolarHBondContact CA-SG 3.28Å; C613-C645 HydrophobicContact CB-CB 3.84Å; C613-C645 WeakPolarHBondContact CB-SG 3.33Å; C613-C645 WeakPolarHBondContact SG-CB 3.27Å; C613-C645 CovalentContact SG-SG 2.04Å; C613-C645 PolarHBondContact SG-SG 3.37Å; W629-C645 HydrophobicContact CB-CB 3.91Å; W629-C645 HydrophobicContact CD2-CB 4.34Å; W629-C645 HydrophobicContact CE3-CB 3.88Å; W629-C645 HydrophobicContact CG-CB 4.38Å; L630-C645 CarbonylContact O-C 3.46Å; L630-C645 VanDerWaalsContact O-CA 3.31Å; L630-C645 WeakPolarHBondContact O-CA 2.82Å; L630-C645 WeakPolarHBondContact O-CB 3.13Å; C645-A654 PolarHBondContact N-O 2.88Å; C645-A654 VanDerWaalsContact N-O 3.08Å; C645-A654 PolarHBondContact O-N 2.94Å; C645-L656 HydrophobicContact CB-CD1 3.94Å; C645-L656 HydrophobicContact CB-CG 4.31Å; C645-L656 WeakPolarHBondContact SG-CD1 2.83Å
646	Q	92.1	Very high	88	Confident	65 Å²	65	53.9 Å²	53.9	30%	0.304	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.1	179.2	-167.3	174.6	19.2	0	0	110.7	W629 L630 Y632 G651 D652 V653	W629-Q646 WeakPolarHBondContact CA-O 3.33Å; L630-Q646 PolarHBondContact N-O 3.37Å; L630-Q646 PolarHBondContact O-N 2.93Å; Y632-Q646 HydrophobicContact CD2-CB 4.48Å; Q646-G651 WeakPolarHBondContact CG-O 3.05Å; Q646-G651 PolarHBondContact NE2-O 2.91Å; Q646-D652 CarbonylContact C-O 3.39Å; Q646-D652 WeakPolarHBondContact CA-O 3.45Å; Q646-V653 HydrophobicContact CB-CG2 4.37Å; Q646-V653 HydrophobicContact CG-CG2 4.11Å
647	S	89.8	Confident	87.7	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.6	169.5	169.6	0	0	0	0	110	H627 E649 T650 G651 D652	H627-S647 WeakPolarHBondContact ND1-CB 3.23Å; H627-S647 PolarHBondContact ND1-OG 3Å; S647-E649 VanDerWaalsContact C-N 3.33Å; S647-E649 PolarHBondContact OG-N 3.05Å; S647-E649 VanDerWaalsContact OG-N 3.08Å; S647-E649 PolarHBondContact OG-OE2 3.32Å; S647-T650 WeakPolarHBondContact CB-OG1 3.2Å; S647-T650 PolarHBondContact OG-N 2.93Å; S647-T650 VanDerWaalsContact OG-N 3.14Å; S647-T650 PolarHBondContact OG-OG1 2.89Å; S647-G651 WeakPolarHBondContact O-CA 3.5Å; S647-G651 PolarHBondContact O-N 2.92Å; S647-D652 PolarHBondContact N-O 2.82Å
648	K	85.6	Confident	87.8	Confident	136 Å²	136	59.3 Å²	59.3	59%	0.591	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.5	170.8	-174.2	169.2	-175.8	163	0	113.4	H628 L630	H628-K648 HydrophobicContact CB-CB 4.09Å; H628-K648 HydrophobicContact CB-CD 4.4Å; H628-K648 VanDerWaalsContact O-CB 3.3Å; H628-K648 WeakPolarHBondContact O-CB 3.48Å; H628-K648 PolarHBondContact O-N 2.68Å; L630-K648 HydrophobicContact CD1-CB 4.11Å; L630-K648 HydrophobicContact CD1-CG 4.32Å; L630-K648 HydrophobicContact CG-CB 4.27Å
649	E	84.8	Confident	88.1	Confident	96 Å²	96	56 Å²	56	45%	0.449	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-42.3	-174.6	-65.6	68.7	-152.7	0	0	112.9	H627 H628 S647	H627-E649 VanDerWaalsContact CA-OE2 3.28Å; H627-E649 WeakPolarHBondContact CA-OE2 3.06Å; H627-E649 WeakPolarHBondContact CB-OE2 3.49Å; H627-E649 IonicContact ND1-OE2 3.03Å; H628-E649 IonicContact CE1-OE1 2.64Å; H628-E649 IonicContact CG-OE1 3.9Å; H628-E649 PolarHBondContact N-OE1 2.91Å; H628-E649 PolarHBondContact N-OE2 3.28Å; H628-E649 IonicContact ND1-OE1 2.72Å; H628-E649 PolarHBondContact ND1-OE1 2.59Å; S647-E649 VanDerWaalsContact C-N 3.33Å; S647-E649 PolarHBondContact OG-N 3.05Å; S647-E649 VanDerWaalsContact OG-N 3.08Å; S647-E649 PolarHBondContact OG-OE2 3.32Å
650	T	84.1	Confident	88.2	Confident	73 Å²	73	52.7 Å²	52.7	45%	0.448	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-15.7	-176.7	65.8	0	0	0	0	113.7	S647 D652	S647-T650 WeakPolarHBondContact CB-OG1 3.2Å; S647-T650 PolarHBondContact OG-N 2.93Å; S647-T650 VanDerWaalsContact OG-N 3.14Å; S647-T650 PolarHBondContact OG-OG1 2.89Å; T650-D652 VanDerWaalsContact CB-OD2 3.26Å; T650-D652 WeakPolarHBondContact CB-OD2 3.42Å; T650-D652 PolarHBondContact O-N 2.85Å; T650-D652 WeakPolarHBondContact OG1-CB 2.97Å; T650-D652 VanDerWaalsContact OG1-CG 3.28Å; T650-D652 PolarHBondContact OG1-N 3.22Å; T650-D652 PolarHBondContact OG1-OD2 3Å
651	G	84.3	Confident	88.1	Confident	36 Å²	36	53.7 Å²	53.7	37%	0.371	27%	0.265	S	S	.	.			trans	76.9	-3	-172.2	0	0	0	0	0	114.4	Q646 S647	Q646-G651 WeakPolarHBondContact CG-O 3.05Å; Q646-G651 PolarHBondContact NE2-O 2.91Å; S647-G651 WeakPolarHBondContact O-CA 3.5Å; S647-G651 PolarHBondContact O-N 2.92Å
652	D	87.7	Confident	88	Confident	60 Å²	60	55.8 Å²	55.8	32%	0.321	28%	0.276	S	S	.	.			trans	-63.5	140.6	179.5	-70	-54.6	0	0	0	112.2	F622 Q623 Q646 S647 T650	F622-D652 HydrophobicContact CE1-CB 3.89Å; Q623-D652 PolarHBondContact NE2-OD2 3.5Å; Q646-D652 CarbonylContact C-O 3.39Å; Q646-D652 WeakPolarHBondContact CA-O 3.45Å; S647-D652 PolarHBondContact N-O 2.82Å; T650-D652 VanDerWaalsContact CB-OD2 3.26Å; T650-D652 WeakPolarHBondContact CB-OD2 3.42Å; T650-D652 PolarHBondContact O-N 2.85Å; T650-D652 WeakPolarHBondContact OG1-CB 2.97Å; T650-D652 VanDerWaalsContact OG1-CG 3.28Å; T650-D652 PolarHBondContact OG1-N 3.22Å; T650-D652 PolarHBondContact OG1-OD2 3Å
653	V	90.5	Very high	87.8	Confident	56 Å²	56	53.4 Å²	53.4	34%	0.339	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.8	171.8	178	0	0	0	0	109.1	Y632 Y644 Q646	Y632-V653 HydrophobicContact CD1-CG1 3.61Å; Y632-V653 HydrophobicContact CD1-CG2 4.43Å; Y632-V653 HydrophobicContact CD2-CG2 3.93Å; Y632-V653 HydrophobicContact CE1-CG1 3.61Å; Y632-V653 HydrophobicContact CE1-CG2 4.2Å; Y632-V653 HydrophobicContact CE2-CG2 3.69Å; Y632-V653 HydrophobicContact CG-CG1 4.08Å; Y632-V653 HydrophobicContact CG-CG2 4.3Å; Y644-V653 HydrophobicContact CD1-CG1 3.97Å; Q646-V653 HydrophobicContact CB-CG2 4.37Å; Q646-V653 HydrophobicContact CG-CG2 4.11Å
654	A	87.6	Confident	87.7	Confident	3 Å²	3	53.4 Å²	53.4	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.2	178.3	0	0	0	0	0	111.4	F622 W629 Y644 C645 L656	F622-A654 HydrophobicContact CD2-CB 4.01Å; F622-A654 HydrophobicContact CE1-CB 4.41Å; F622-A654 HydrophobicContact CE2-CB 3.83Å; F622-A654 HydrophobicContact CG-CB 4.4Å; F622-A654 HydrophobicContact CZ-CB 4.04Å; W629-A654 HydrophobicContact CH2-CB 3.55Å; W629-A654 HydrophobicContact CZ3-CB 3.54Å; Y644-A654 WeakPolarHBondContact CA-O 3.43Å; C645-A654 PolarHBondContact N-O 2.88Å; C645-A654 VanDerWaalsContact N-O 3.08Å; C645-A654 PolarHBondContact O-N 2.94Å; A654-L656 HydrophobicContact CB-CD2 4Å
655	Y	89.2	Confident	87.6	Confident	92 Å²	92	53.3 Å²	53.3	36%	0.361	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.5	164.1	176.4	-137.4	0	0	0	109.2	H642 Y644 K657 Q658	H642-Y655 HydrophobicContact CB-CD2 4.25Å; H642-Y655 HydrophobicContact CB-CE2 3.77Å; Y644-Y655 HydrophobicContact CE1-CG 4.32Å; Y644-Y655 HydrophobicContact CE2-CD2 4.41Å; Y655-K657 PolarHBondContact O-N 3.28Å; Y655-Q658 WeakPolarHBondContact CE2-O 3.44Å
656	L	84.8	Confident	87.4	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.047	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	21.8	-175.3	-53.2	-167.1	0	0	0	113.5	R616 F620 W629 L643 C645 A654 Q658	R616-L656 HydrophobicContact CB-CD1 3.88Å; R616-L656 HydrophobicContact CG-CD1 3.69Å; F620-L656 HydrophobicContact CD1-CD2 3.65Å; F620-L656 HydrophobicContact CE1-CD2 3.39Å; F620-L656 HydrophobicContact CG-CD2 4.31Å; F620-L656 HydrophobicContact CZ-CD2 3.89Å; W629-L656 HydrophobicContact CD2-CD2 4.31Å; W629-L656 HydrophobicContact CE3-CD2 4.4Å; W629-L656 HydrophobicContact CG-CD1 4.49Å; W629-L656 HydrophobicContact CH2-CD2 4.47Å; W629-L656 HydrophobicContact CZ2-CD2 4.37Å; W629-L656 HydrophobicContact CZ3-CD2 4.48Å; L643-L656 HydrophobicContact CD2-CB 4.36Å; L643-L656 HydrophobicContact CD2-CD1 4.31Å; L643-L656 HydrophobicContact CG-CB 4.45Å; L643-L656 HydrophobicContact CG-CD1 4.43Å; L643-L656 PolarHBondContact O-N 2.96Å; C645-L656 HydrophobicContact CB-CD1 3.94Å; C645-L656 HydrophobicContact CB-CG 4.31Å; C645-L656 WeakPolarHBondContact SG-CD1 2.83Å; A654-L656 HydrophobicContact CB-CD2 4Å; L656-Q658 PolarHBondContact O-N 3.22Å
657	K	79.6	Confident	87.3	Confident	175 Å²	175	50.8 Å²	50.8	76%	0.761	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.7	20.5	179.4	-60.9	-176.8	-179.7	177.6	0	115.5	Y655	Y655-K657 PolarHBondContact O-N 3.28Å
658	Q	84.4	Confident	87.2	Confident	71 Å²	71	51.3 Å²	51.3	33%	0.332	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.3	179.8	-158.4	-173.5	-5.3	0	0	111	L643 Y655 L656	L643-Q658 HydrophobicContact CB-CB 4.48Å; L643-Q658 VanDerWaalsContact CB-O 3.22Å; L643-Q658 WeakPolarHBondContact CB-O 3.31Å; L643-Q658 HydrophobicContact CD2-CB 4.47Å; L643-Q658 PolarHBondContact N-O 3.15Å; Y655-Q658 WeakPolarHBondContact CE2-O 3.44Å; L656-Q658 PolarHBondContact O-N 3.22Å
659	L	89.1	Confident	87.1	Confident	75 Å²	75	50.6 Å²	50.6	39%	0.393	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	152.7	164.2	-59.6	179.8	0	0	0	110.6	H642	H642-L659 VanDerWaalsContact CD2-CD2 3.45Å; H642-L659 WeakPolarHBondContact CD2-CD2 3.41Å
660	V	89.8	Confident	87.2	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-71.2	138	169.3	-173.8	0	0	0	0	108.7	C641 L643 T664	C641-V660 PolarHBondContact O-N 2.95Å; L643-V660 HydrophobicContact CB-CG2 4.14Å; L643-V660 HydrophobicContact CD1-CG2 4.19Å; V660-T664 HydrophobicContact CG1-CG2 3.52Å; V660-T664 WeakPolarHBondContact CG1-OG1 3.23Å
661	Q	88.1	Confident	87	Confident	85 Å²	85	47.8 Å²	47.8	40%	0.397	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-61.5	140.3	-176.5	-68	-175.9	42.8	0	0	113	F608 G663 T664	F608-Q661 HydrophobicContact CE1-CB 3.91Å; F608-Q661 HydrophobicContact CZ-CB 4.19Å; Q661-G663 PolarHBondContact O-N 3.4Å; Q661-T664 WeakPolarHBondContact O-CB 3.09Å; Q661-T664 PolarHBondContact O-N 3.27Å; Q661-T664 PolarHBondContact O-OG1 2.93Å
662	D	89.9	Confident	87.1	Confident	45 Å²	45	48.9 Å²	48.9	24%	0.241	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	128.4	-176.9	-70.5	-6.9	0	0	0	112	S560 C675 V676 R677	S560-D662 VanDerWaalsContact CB-O 3.27Å; S560-D662 WeakPolarHBondContact CB-O 3.43Å; S560-D662 PolarHBondContact OG-O 3.1Å; D662-C675 WeakPolarHBondContact CA-O 3.25Å; D662-V676 WeakPolarHBondContact OD1-CA 3.37Å; D662-R677 PolarHBondContact OD1-N 2.81Å
663	G	86.9	Confident	87.2	Confident	2 Å²	2	46.2 Å²	46.2	2%	0.021	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	9.1	-172.8	0	0	0	0	0	114.7	R561 Q661 C675	R561-G663 PolarHBondContact NH1-O 3.46Å; Q661-G663 PolarHBondContact O-N 3.4Å; G663-C675 PolarHBondContact N-O 3.13Å
664	T	89.9	Confident	87.2	Confident	1 Å²	1	44 Å²	44	1%	0.006	21%	0.212	C	C	.	.	S	Bend	trans	-80.2	144.5	158.2	-46.2	0	0	0	0	109.1	F608 R609 Q612 V660 Q661 I674 C675	F608-T664 HydrophobicContact CD1-CG2 4.27Å; F608-T664 WeakPolarHBondContact CD1-OG1 3Å; F608-T664 WeakPolarHBondContact CE1-OG1 3.15Å; R609-T664 HydrophobicContact CB-CG2 3.98Å; Q612-T664 PolarHBondContact NE2-OG1 3.46Å; V660-T664 HydrophobicContact CG1-CG2 3.52Å; V660-T664 WeakPolarHBondContact CG1-OG1 3.23Å; Q661-T664 WeakPolarHBondContact O-CB 3.09Å; Q661-T664 PolarHBondContact O-N 3.27Å; Q661-T664 PolarHBondContact O-OG1 2.93Å; T664-I674 CarbonylContact O-C 3.54Å; T664-I674 WeakPolarHBondContact O-CA 3.12Å; T664-C675 WeakPolarHBondContact O-CB 3.27Å; T664-C675 PolarHBondContact O-N 3.17Å
665	R	88.4	Confident	87.4	Confident	36 Å²	36	43.9 Å²	43.9	14%	0.136	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	147.9	175.2	67.6	-179.9	130.3	-158.4	-3.4	113.1	D607 R609 S667 Y668 S673 G777	D607-R665 IonicContact OD1-CZ 3.64Å; D607-R665 IonicContact OD1-NE 2.85Å; D607-R665 PolarHBondContact OD1-NE 2.98Å; D607-R665 IonicContact OD1-NH2 3.91Å; D607-R665 PolarHBondContact OD1-NH2 2.73Å; R609-R665 PolarHBondContact NH2-O 3.48Å; R665-S667 VanDerWaalsContact CD-O 3.25Å; R665-S667 WeakPolarHBondContact CD-O 3.41Å; R665-Y668 VanDerWaalsContact CZ-CE1 3.43Å; R665-Y668 VanDerWaalsContact NE-CE1 3.29Å; R665-S673 WeakPolarHBondContact CA-O 3.22Å; R665-G777 PolarHBondContact NH1-O 3.45Å; R665-G777 PolarHBondContact NH2-O 2.89Å
666	C	89.7	Confident	87.3	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.02	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-43.8	170.5	-43.9	0	0	0	0	112.2	R609 R640 S673 I674 C680	R609-C666 PolarHBondContact NH2-O 3.23Å; R640-C666 WeakPolarHBondContact CB-O 3.19Å; C666-S673 PolarHBondContact N-O 3.09Å; C666-S673 PolarHBondContact SG-O 2.97Å; C666-I674 PolarHBondContact SG-N 3.08Å; C666-C680 HydrophobicContact CB-CB 3.76Å; C666-C680 WeakPolarHBondContact CB-SG 3.41Å; C666-C680 WeakPolarHBondContact SG-CA 3.34Å; C666-C680 WeakPolarHBondContact SG-CB 3.01Å; C666-C680 CovalentContact SG-SG 2.03Å; C666-C680 PolarHBondContact SG-SG 3.12Å
667	S	89.5	Confident	87.1	Confident	8 Å²	8	45 Å²	45	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.2	-167.3	-176	0	0	0	0	111	E633 R640 R665 K669	E633-S667 VanDerWaalsContact CD-OG 3.25Å; E633-S667 WeakPolarHBondContact OE1-CA 3.35Å; E633-S667 WeakPolarHBondContact OE1-CB 3.31Å; E633-S667 PolarHBondContact OE1-OG 3.1Å; E633-S667 VanDerWaalsContact OE2-CA 3.25Å; E633-S667 WeakPolarHBondContact OE2-CA 3.24Å; E633-S667 PolarHBondContact OE2-OG 3.28Å; E633-S667 VanDerWaalsContact OE2-OG 3.1Å; R640-S667 PolarHBondContact NH1-OG 3.46Å; R665-S667 VanDerWaalsContact CD-O 3.25Å; R665-S667 WeakPolarHBondContact CD-O 3.41Å; S667-K669 PolarHBondContact OG-N 3.24Å
668	Y	86.8	Confident	87.3	Confident	14 Å²	14	37 Å²	37	6%	0.055	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.6	172.2	-66.2	-89.7	0	0	0	112.9	D607 R609 E633 R665 I774	D607-Y668 WeakPolarHBondContact OD2-CE1 3.4Å; D607-Y668 PolarHBondContact OD2-OH 3.17Å; R609-Y668 WeakPolarHBondContact CB-OH 3.45Å; R609-Y668 WeakPolarHBondContact CD-OH 3.05Å; E633-Y668 HydrophobicContact CB-CD2 4.14Å; E633-Y668 HydrophobicContact CB-CE2 4.37Å; E633-Y668 WeakPolarHBondContact OE2-CD2 3.35Å; E633-Y668 PolarHBondContact OE2-N 3.15Å; R665-Y668 VanDerWaalsContact CZ-CE1 3.43Å; R665-Y668 VanDerWaalsContact NE-CE1 3.29Å; Y668-I774 HydrophobicContact CD1-CG2 3.8Å; Y668-I774 HydrophobicContact CD2-CD1 3.63Å; Y668-I774 HydrophobicContact CD2-CG1 3.9Å; Y668-I774 HydrophobicContact CD2-CG2 4.24Å; Y668-I774 HydrophobicContact CE1-CG2 3.35Å; Y668-I774 HydrophobicContact CE2-CD1 3.56Å; Y668-I774 HydrophobicContact CE2-CG1 4.09Å; Y668-I774 HydrophobicContact CE2-CG2 3.88Å; Y668-I774 HydrophobicContact CG-CD1 4.39Å; Y668-I774 HydrophobicContact CG-CG1 4.17Å; Y668-I774 HydrophobicContact CG-CG2 4.21Å
669	K	84.3	Confident	87.4	Confident	121 Å²	121	39.8 Å²	39.8	53%	0.526	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-8.4	174.3	-44.2	-167.7	-164.7	-121.1	0	113.6	S667 E779 H781	S667-K669 PolarHBondContact OG-N 3.24Å; K669-E779 WeakPolarHBondContact CE-OE2 3.12Å; K669-E779 IonicContact NZ-OE2 2.76Å; K669-E779 PolarHBondContact NZ-OE2 2.94Å; K669-H781 PolarHBondContact NZ-NE2 2.94Å
670	D	85.7	Confident	87.5	Confident	52 Å²	52	39.3 Å²	39.3	28%	0.278	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	104	175.3	-174.1	-27.3	0	0	0	108.6	Y672 S673	D670-Y672 PolarHBondContact O-N 2.96Å; D670-Y672 PolarHBondContact OD1-N 2.83Å; D670-S673 VanDerWaalsContact CG-CB 3.47Å; D670-S673 PolarHBondContact OD1-N 3.19Å; D670-S673 PolarHBondContact OD1-OG 3.41Å; D670-S673 VanDerWaalsContact OD2-CB 3.25Å; D670-S673 WeakPolarHBondContact OD2-CB 3Å; D670-S673 PolarHBondContact OD2-OG 3.48Å
671	A	80.4	Confident	87.4	Confident	58 Å²	58	40.4 Å²	40.4	48%	0.479	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-11.3	-175.8	0	0	0	0	0	114.2
672	Y	86.4	Confident	87.4	Confident	59 Å²	59	40.6 Å²	40.6	23%	0.231	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-35.5	-171.9	-66.2	-87.1	0	0	0	113.4	D670 I674 V683 G684 C685 E695	D670-Y672 PolarHBondContact O-N 2.96Å; D670-Y672 PolarHBondContact OD1-N 2.83Å; Y672-I674 PolarHBondContact O-N 3.32Å; Y672-V683 WeakPolarHBondContact CB-O 3.14Å; Y672-V683 WeakPolarHBondContact O-CB 3.45Å; Y672-V683 WeakPolarHBondContact O-CG2 3.29Å; Y672-G684 WeakPolarHBondContact CD1-O 3.35Å; Y672-C685 HydrophobicContact CD2-CB 4.3Å; Y672-C685 HydrophobicContact CE1-CB 4.29Å; Y672-C685 HydrophobicContact CE2-CB 3.87Å; Y672-E695 HydrophobicContact CE2-CG 3.73Å; Y672-E695 VanDerWaalsContact OH-CD 3.32Å; Y672-E695 PolarHBondContact OH-OE1 3.23Å
673	S	90.2	Very high	87.4	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.028	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129	179.8	-63.2	0	0	0	0	112.1	R665 C666 D670 V681 K682	R665-S673 WeakPolarHBondContact CA-O 3.22Å; C666-S673 PolarHBondContact N-O 3.09Å; C666-S673 PolarHBondContact SG-O 2.97Å; D670-S673 VanDerWaalsContact CG-CB 3.47Å; D670-S673 PolarHBondContact OD1-N 3.19Å; D670-S673 PolarHBondContact OD1-OG 3.41Å; D670-S673 VanDerWaalsContact OD2-CB 3.25Å; D670-S673 WeakPolarHBondContact OD2-CB 3Å; D670-S673 PolarHBondContact OD2-OG 3.48Å; S673-V681 WeakPolarHBondContact CA-O 3.23Å; S673-K682 WeakPolarHBondContact OG-CA 3.43Å
674	I	90.8	Very high	87.4	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.7	-169.2	53.7	-174.2	0	0	0	112.9	T565 V567 L595 T664 C666 Y672 V676 V681 V683	T565-I674 HydrophobicContact CG2-CD1 4.49Å; V567-I674 HydrophobicContact CG2-CD1 3.35Å; V567-I674 HydrophobicContact CG2-CG1 4.34Å; L595-I674 HydrophobicContact CD2-CD1 3.48Å; L595-I674 VanDerWaalsContact CD2-CD1 3.48Å; T664-I674 CarbonylContact O-C 3.54Å; T664-I674 WeakPolarHBondContact O-CA 3.12Å; C666-I674 PolarHBondContact SG-N 3.08Å; Y672-I674 PolarHBondContact O-N 3.32Å; I674-V676 HydrophobicContact CG1-CG2 4.37Å; I674-V681 PolarHBondContact N-O 3.23Å; I674-V681 PolarHBondContact O-N 3.45Å; I674-V683 HydrophobicContact CD1-CG2 4.12Å; I674-V683 HydrophobicContact CG1-CG2 3.9Å
675	C	90.9	Very high	87.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133.7	170.6	-63.7	0	0	0	0	111	C641 D662 G663 T664 E679	C641-C675 WeakPolarHBondContact CA-SG 3.23Å; C641-C675 HydrophobicContact CB-CB 3.58Å; C641-C675 WeakPolarHBondContact CB-SG 3.39Å; C641-C675 WeakPolarHBondContact SG-CA 3.46Å; C641-C675 WeakPolarHBondContact SG-CB 3.34Å; C641-C675 CovalentContact SG-SG 2.03Å; C641-C675 PolarHBondContact SG-SG 3.4Å; D662-C675 WeakPolarHBondContact CA-O 3.25Å; G663-C675 PolarHBondContact N-O 3.13Å; T664-C675 WeakPolarHBondContact O-CB 3.27Å; T664-C675 PolarHBondContact O-N 3.17Å; C675-E679 CarbonylContact C-O 3.42Å; C675-E679 VanDerWaalsContact CA-O 3.31Å; C675-E679 WeakPolarHBondContact CA-O 3.41Å
676	V	87.1	Confident	87.2	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124.1	171.2	-167.6	0	0	0	0	109.2	V567 Y593 D662 I674 G678 E679 V681	V567-V676 HydrophobicContact CG1-CG1 4.31Å; V567-V676 HydrophobicContact CG1-CG2 4.34Å; V567-V676 HydrophobicContact CG2-CG2 3.99Å; Y593-V676 HydrophobicContact CD1-CG1 3.7Å; Y593-V676 HydrophobicContact CD2-CG1 4.35Å; Y593-V676 HydrophobicContact CE1-CG1 3.43Å; Y593-V676 VanDerWaalsContact CE1-CG1 3.43Å; Y593-V676 HydrophobicContact CE2-CB 4.39Å; Y593-V676 HydrophobicContact CE2-CG1 4.09Å; Y593-V676 HydrophobicContact CG-CG1 4.17Å; D662-V676 WeakPolarHBondContact OD1-CA 3.37Å; I674-V676 HydrophobicContact CG1-CG2 4.37Å; V676-G678 PolarHBondContact O-N 3.16Å; V676-E679 PolarHBondContact N-O 3.26Å; V676-E679 PolarHBondContact O-N 3.24Å; V676-V681 HydrophobicContact CB-CG2 3.85Å; V676-V681 HydrophobicContact CG2-CB 4.11Å; V676-V681 HydrophobicContact CG2-CG2 3.69Å
677	R	80.8	Confident	87	Confident	121 Å²	121	44 Å²	44	46%	0.457	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	24	-175	-64.6	-166.4	71.3	149.4	4.1	115.2	D67 D662	D67-R677 IonicContact OD2-CZ 3.11Å; D67-R677 IonicContact OD2-NH1 2.68Å; D67-R677 IonicContact OD2-NH2 1.94Å; D67-R677 PolarHBondContact OD2-NH2 3.45Å; D662-R677 PolarHBondContact OD1-N 2.81Å
678	G	84.6	Confident	86.7	Confident	9 Å²	9	48.7 Å²	48.7	9%	0.093	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-3.8	-178.8	0	0	0	0	0	115.5	C641 V676	C641-G678 VanDerWaalsContact CB-O 3.25Å; C641-G678 WeakPolarHBondContact CB-O 3.33Å; V676-G678 PolarHBondContact O-N 3.16Å
679	E	87.1	Confident	86.6	Confident	129 Å²	129	51 Å²	51	60%	0.603	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	157.4	170.6	-64.8	-164	141.2	0	0	111.7	C675 V676	C675-E679 CarbonylContact C-O 3.42Å; C675-E679 VanDerWaalsContact CA-O 3.31Å; C675-E679 WeakPolarHBondContact CA-O 3.41Å; V676-E679 PolarHBondContact N-O 3.26Å; V676-E679 PolarHBondContact O-N 3.24Å
680	C	89.2	Confident	86.4	Confident	65 Å²	65	47.7 Å²	47.7	44%	0.439	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.4	173.1	-179	0	0	0	0	111.3	C666	C666-C680 HydrophobicContact CB-CB 3.76Å; C666-C680 WeakPolarHBondContact CB-SG 3.41Å; C666-C680 WeakPolarHBondContact SG-CA 3.34Å; C666-C680 WeakPolarHBondContact SG-CB 3.01Å; C666-C680 CovalentContact SG-SG 2.03Å; C666-C680 PolarHBondContact SG-SG 3.12Å
681	V	89.2	Confident	86.5	Confident	24 Å²	24	45.9 Å²	45.9	15%	0.145	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.9	177	179	0	0	0	0	109.6	Y593 S673 I674 V676 I689	Y593-V681 HydrophobicContact CD2-CG2 4.1Å; Y593-V681 HydrophobicContact CE2-CG2 4.09Å; S673-V681 WeakPolarHBondContact CA-O 3.23Å; I674-V681 PolarHBondContact N-O 3.23Å; I674-V681 PolarHBondContact O-N 3.45Å; V676-V681 HydrophobicContact CB-CG2 3.85Å; V676-V681 HydrophobicContact CG2-CB 4.11Å; V676-V681 HydrophobicContact CG2-CG2 3.69Å; V681-I689 HydrophobicContact CG1-CG2 3.6Å
682	K	88.4	Confident	86.7	Confident	90 Å²	90	49.1 Å²	49.1	39%	0.391	25%	0.252	S	S	.	.			trans	-70.6	133.2	176.6	-173.3	177.5	179.5	-179.2	0	111.5	S673 G690 N692	S673-K682 WeakPolarHBondContact OG-CA 3.43Å; K682-G690 PolarHBondContact O-N 3.41Å; K682-N692 PolarHBondContact NZ-OD1 3.46Å
683	V	89.3	Confident	86.7	Confident	6 Å²	6	50.8 Å²	50.8	4%	0.036	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-129.2	139.8	174.8	-169.4	0	0	0	0	108.6	L595 Y672 I674 I689	L595-V683 HydrophobicContact CD1-CG1 3.89Å; Y672-V683 WeakPolarHBondContact CB-O 3.14Å; Y672-V683 WeakPolarHBondContact O-CB 3.45Å; Y672-V683 WeakPolarHBondContact O-CG2 3.29Å; I674-V683 HydrophobicContact CD1-CG2 4.12Å; I674-V683 HydrophobicContact CG1-CG2 3.9Å; V683-I689 HydrophobicContact CG2-CG1 4.2Å
684	G	87.6	Confident	86.5	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.021	29%	0.288	C	S	.	.			trans	-78.2	166.2	173.3	0	0	0	0	0	112.8	Y672 D686 R687 E688 K693	Y672-G684 WeakPolarHBondContact CD1-O 3.35Å; G684-D686 VanDerWaalsContact CA-OD1 3.26Å; G684-D686 WeakPolarHBondContact CA-OD1 3.41Å; G684-D686 PolarHBondContact O-N 3.37Å; G684-D686 VanDerWaalsContact O-N 3.12Å; G684-R687 PolarHBondContact O-N 3.39Å; G684-E688 PolarHBondContact N-O 3.05Å; G684-K693 VanDerWaalsContact CA-O 3.28Å; G684-K693 WeakPolarHBondContact CA-O 3.49Å
685	C	87.5	Confident	86.3	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.061	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.2	175.1	54.4	0	0	0	0	114.3	Y672 K693 V694 E695 C701	Y672-C685 HydrophobicContact CD2-CB 4.3Å; Y672-C685 HydrophobicContact CE1-CB 4.29Å; Y672-C685 HydrophobicContact CE2-CB 3.87Å; C685-K693 PolarHBondContact N-O 3.27Å; C685-K693 PolarHBondContact SG-O 2.93Å; C685-V694 PolarHBondContact SG-O 3.16Å; C685-V694 VanDerWaalsContact SG-O 3.35Å; C685-E695 HydrophobicContact CB-CG 3.65Å; C685-C701 HydrophobicContact CB-CB 3.55Å; C685-C701 WeakPolarHBondContact CB-SG 3.41Å; C685-C701 WeakPolarHBondContact SG-CA 3.04Å; C685-C701 WeakPolarHBondContact SG-CB 3.3Å; C685-C701 CovalentContact SG-SG 2.03Å; C685-C701 PolarHBondContact SG-SG 3.14Å
686	D	86.8	Confident	86.2	Confident	42 Å²	42	57.5 Å²	57.5	23%	0.225	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.8	174.4	46.2	22.6	0	0	0	112.5	G684 E688 S691 K693 C701	G684-D686 VanDerWaalsContact CA-OD1 3.26Å; G684-D686 WeakPolarHBondContact CA-OD1 3.41Å; G684-D686 PolarHBondContact O-N 3.37Å; G684-D686 VanDerWaalsContact O-N 3.12Å; D686-E688 VanDerWaalsContact C-N 3.27Å; D686-E688 HydrophobicContact CB-CG 4.35Å; D686-E688 WeakPolarHBondContact OD1-CB 3.24Å; D686-E688 PolarHBondContact OD1-N 3.15Å; D686-S691 WeakPolarHBondContact OD1-CB 3.38Å; D686-S691 PolarHBondContact OD1-OG 3.45Å; D686-S691 WeakPolarHBondContact OD2-CB 3.08Å; D686-S691 PolarHBondContact OD2-OG 2.8Å; D686-K693 HydrophobicContact CB-CD 4.32Å; D686-K693 WeakPolarHBondContact OD2-CB 3.5Å; D686-K693 WeakPolarHBondContact OD2-CD 3.33Å; D686-K693 WeakPolarHBondContact OD2-CE 3.29Å; D686-K693 WeakPolarHBondContact OD2-CG 3.32Å; D686-K693 IonicContact OD2-NZ 2.76Å; D686-K693 PolarHBondContact OD2-NZ 2.73Å; D686-C701 PolarHBondContact N-SG 3.16Å
687	R	84.5	Confident	86.1	Confident	100 Å²	100	63 Å²	63	38%	0.377	32%	0.322	S	S	.	.	S	Bend	trans	66.3	28.6	-174.6	-46.8	-179.9	-176	-135.7	9.9	112.2	L595 T598 G684	L595-R687 HydrophobicContact CD1-CB 3.91Å; L595-R687 WeakPolarHBondContact CD1-O 3.4Å; T598-R687 PolarHBondContact O-NH1 3.07Å; G684-R687 PolarHBondContact O-N 3.39Å
688	E	83.4	Confident	86.2	Confident	106 Å²	106	57.4 Å²	57.4	50%	0.495	30%	0.301	S	S	.	.			trans	-100.6	126.8	171.8	-63.9	178.4	148.8	0	0	110.3	G684 D686 S691 K693	G684-E688 PolarHBondContact N-O 3.05Å; D686-E688 VanDerWaalsContact C-N 3.27Å; D686-E688 HydrophobicContact CB-CG 4.35Å; D686-E688 WeakPolarHBondContact OD1-CB 3.24Å; D686-E688 PolarHBondContact OD1-N 3.15Å; E688-S691 VanDerWaalsContact O-CB 3.28Å; E688-S691 WeakPolarHBondContact O-CB 3.01Å; E688-S691 PolarHBondContact O-N 3.19Å; E688-K693 IonicContact OE2-NZ 2.57Å; E688-K693 PolarHBondContact OE2-NZ 2.88Å
689	I	84.4	Confident	86.1	Confident	62 Å²	62	58 Å²	58	32%	0.318	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-68.4	133.6	178.1	-64.9	175	0	0	0	109.4	Y593 L595 V681 V683 S691	Y593-I689 WeakPolarHBondContact O-CD1 3.26Å; L595-I689 HydrophobicContact CD2-CD1 3.87Å; L595-I689 HydrophobicContact CD2-CG1 4.01Å; L595-I689 HydrophobicContact CG-CD1 4.15Å; L595-I689 HydrophobicContact CG-CG1 4.09Å; V681-I689 HydrophobicContact CG1-CG2 3.6Å; V683-I689 HydrophobicContact CG2-CG1 4.2Å; I689-S691 PolarHBondContact O-N 3.18Å
690	G	80.6	Confident	86.1	Confident	51 Å²	51	54 Å²	54	53%	0.526	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-1.3	-174.4	0	0	0	0	0	114.8	K682	K682-G690 PolarHBondContact O-N 3.41Å
691	S	86.4	Confident	86.1	Confident	15 Å²	15	53.1 Å²	53.1	11%	0.105	29%	0.286	C	S	.	.			trans	-66	141.7	175	175.5	0	0	0	0	111.8	D686 E688 I689 K693	D686-S691 WeakPolarHBondContact OD1-CB 3.38Å; D686-S691 PolarHBondContact OD1-OG 3.45Å; D686-S691 WeakPolarHBondContact OD2-CB 3.08Å; D686-S691 PolarHBondContact OD2-OG 2.8Å; E688-S691 VanDerWaalsContact O-CB 3.28Å; E688-S691 WeakPolarHBondContact O-CB 3.01Å; E688-S691 PolarHBondContact O-N 3.19Å; I689-S691 PolarHBondContact O-N 3.18Å; S691-K693 PolarHBondContact OG-N 2.85Å; S691-K693 VanDerWaalsContact OG-N 3.11Å
692	N	85.4	Confident	85.9	Confident	125 Å²	125	54.7 Å²	54.7	67%	0.668	31%	0.307	S	S	*	.			trans	-99.8	8.6	174.4	-73.3	-62.7	0	0	0	112.8	K682 V694	K682-N692 PolarHBondContact NZ-OD1 3.46Å; N692-V694 PolarHBondContact O-N 3.4Å
693	K	86.4	Confident	85.6	Confident	94 Å²	94	51.6 Å²	51.6	41%	0.409	30%	0.301	S	S	.	.			trans	-69.7	120.7	169.2	-54.6	-167.8	-154.5	91.3	0	108.4	G684 C685 D686 E688 S691	G684-K693 VanDerWaalsContact CA-O 3.28Å; G684-K693 WeakPolarHBondContact CA-O 3.49Å; C685-K693 PolarHBondContact N-O 3.27Å; C685-K693 PolarHBondContact SG-O 2.93Å; D686-K693 HydrophobicContact CB-CD 4.32Å; D686-K693 WeakPolarHBondContact OD2-CB 3.5Å; D686-K693 WeakPolarHBondContact OD2-CD 3.33Å; D686-K693 WeakPolarHBondContact OD2-CE 3.29Å; D686-K693 WeakPolarHBondContact OD2-CG 3.32Å; D686-K693 IonicContact OD2-NZ 2.76Å; D686-K693 PolarHBondContact OD2-NZ 2.73Å; E688-K693 IonicContact OE2-NZ 2.57Å; E688-K693 PolarHBondContact OE2-NZ 2.88Å; S691-K693 PolarHBondContact OG-N 2.85Å; S691-K693 VanDerWaalsContact OG-N 3.11Å
694	V	87	Confident	85.4	Confident	103 Å²	103	56.2 Å²	56.2	62%	0.624	33%	0.325	S	S	*	.			trans	-105.5	154.5	172.2	-169.4	0	0	0	0	107.9	C685 N692 G702	C685-V694 PolarHBondContact SG-O 3.16Å; C685-V694 VanDerWaalsContact SG-O 3.35Å; N692-V694 PolarHBondContact O-N 3.4Å; V694-G702 PolarHBondContact O-N 3.12Å
695	E	86.4	Confident	85.2	Confident	38 Å²	38	59.6 Å²	59.6	18%	0.178	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-61.3	146	166.5	-64.7	-176	112.2	0	0	110.6	Y672 C685 G699 R735	Y672-E695 HydrophobicContact CE2-CG 3.73Å; Y672-E695 VanDerWaalsContact OH-CD 3.32Å; Y672-E695 PolarHBondContact OH-OE1 3.23Å; C685-E695 HydrophobicContact CB-CG 3.65Å; E695-G699 VanDerWaalsContact OE1-CA 3.26Å; E695-G699 WeakPolarHBondContact OE1-CA 3.39Å; E695-R735 IonicContact OE1-CZ 3.98Å; E695-R735 IonicContact OE1-NH1 3.75Å; E695-R735 PolarHBondContact OE1-NH1 3.47Å; E695-R735 IonicContact OE1-NH2 2.91Å; E695-R735 PolarHBondContact OE1-NH2 3.07Å; E695-R735 IonicContact OE2-CZ 2.89Å; E695-R735 IonicContact OE2-NH1 3.38Å; E695-R735 PolarHBondContact OE2-NH1 3.38Å; E695-R735 IonicContact OE2-NH2 2.9Å; E695-R735 PolarHBondContact OE2-NH2 3.03Å
696	D	87.6	Confident	84.8	Confident	15 Å²	15	61.4 Å²	61.4	8%	0.08	36%	0.355	C	S	.	.			trans	-74.8	179.6	161.4	74.2	1.4	0	0	0	110.9	C698 G699 V700 G703 N705	D696-C698 PolarHBondContact O-N 2.98Å; D696-C698 VanDerWaalsContact OD1-CA 3.31Å; D696-C698 WeakPolarHBondContact OD1-CA 3.29Å; D696-C698 WeakPolarHBondContact OD1-CB 3.21Å; D696-C698 PolarHBondContact OD1-N 3.39Å; D696-C698 PolarHBondContact OD2-SG 2.83Å; D696-C698 VanDerWaalsContact OD2-SG 3.41Å; D696-G699 PolarHBondContact O-N 2.54Å; D696-G699 PolarHBondContact OD1-N 2.95Å; D696-V700 PolarHBondContact N-O 2.92Å; D696-V700 PolarHBondContact OD1-N 2.77Å; D696-G703 WeakPolarHBondContact OD2-CA 3.49Å; D696-N705 WeakPolarHBondContact OD2-CA 3.33Å; D696-N705 PolarHBondContact OD2-N 2.89Å
697	K	85.1	Confident	84.5	Confident	116 Å²	116	63.1 Å²	63.1	50%	0.504	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.3	179.3	-68.4	168.4	-175.3	169.5	0	113.8	N705 I821	K697-N705 WeakPolarHBondContact CB-OD1 3.08Å; K697-N705 WeakPolarHBondContact CD-OD1 2.82Å; K697-N705 VanDerWaalsContact CG-OD1 3.29Å; K697-N705 WeakPolarHBondContact CG-OD1 3.37Å; K697-N705 PolarHBondContact N-OD1 3.07Å; K697-I821 HydrophobicContact CB-CD1 3.92Å; K697-I821 HydrophobicContact CB-CG2 4.43Å; K697-I821 HydrophobicContact CD-CD1 4.25Å; K697-I821 HydrophobicContact CG-CD1 4.36Å; K697-I821 VanDerWaalsContact O-CG2 3.24Å; K697-I821 WeakPolarHBondContact O-CG2 3.2Å
698	C	82.4	Confident	84.4	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.027	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-19.6	179.9	-43.8	0	0	0	0	112.8	D696 V700 H707 C708	D696-C698 PolarHBondContact O-N 2.98Å; D696-C698 VanDerWaalsContact OD1-CA 3.31Å; D696-C698 WeakPolarHBondContact OD1-CA 3.29Å; D696-C698 WeakPolarHBondContact OD1-CB 3.21Å; D696-C698 PolarHBondContact OD1-N 3.39Å; D696-C698 PolarHBondContact OD2-SG 2.83Å; D696-C698 VanDerWaalsContact OD2-SG 3.41Å; C698-V700 HydrophobicContact CB-CG2 4.06Å; C698-H707 VanDerWaalsContact SG-C 3.59Å; C698-C708 WeakPolarHBondContact CA-SG 3.44Å; C698-C708 HydrophobicContact CB-CB 3.24Å; C698-C708 WeakPolarHBondContact CB-SG 3.38Å; C698-C708 PolarHBondContact N-SG 3.39Å; C698-C708 WeakPolarHBondContact SG-CB 3.2Å; C698-C708 PolarHBondContact SG-N 2.86Å; C698-C708 CovalentContact SG-SG 2.03Å; C698-C708 PolarHBondContact SG-SG 2.96Å
699	G	82.7	Confident	84.4	Confident	23 Å²	23	57.3 Å²	57.3	24%	0.237	34%	0.339	C	S	.	.	S	Bend	trans	85.2	19.6	-163.4	0	0	0	0	0	113.6	E695 D696 R735	E695-G699 VanDerWaalsContact OE1-CA 3.26Å; E695-G699 WeakPolarHBondContact OE1-CA 3.39Å; D696-G699 PolarHBondContact O-N 2.54Å; D696-G699 PolarHBondContact OD1-N 2.95Å; G699-R735 VanDerWaalsContact CA-NH2 3.31Å
700	V	87.3	Confident	84.5	Confident	43 Å²	43	57.8 Å²	57.8	26%	0.261	35%	0.345	S	S	.	.			trans	-96.7	122	174.4	179.2	0	0	0	0	108.5	D696 C698 G702 G703 H707	D696-V700 PolarHBondContact N-O 2.92Å; D696-V700 PolarHBondContact OD1-N 2.77Å; C698-V700 HydrophobicContact CB-CG2 4.06Å; V700-G702 PolarHBondContact O-N 3.27Å; V700-G703 PolarHBondContact O-N 3.39Å; V700-H707 HydrophobicContact CG2-CB 4.13Å
701	C	89	Confident	84.7	Confident	48 Å²	48	55.7 Å²	55.7	32%	0.324	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-65.2	120.4	-177.2	-177.9	0	0	0	0	112.2	C685 D686 G703	C685-C701 HydrophobicContact CB-CB 3.55Å; C685-C701 WeakPolarHBondContact CB-SG 3.41Å; C685-C701 WeakPolarHBondContact SG-CA 3.04Å; C685-C701 WeakPolarHBondContact SG-CB 3.3Å; C685-C701 CovalentContact SG-SG 2.03Å; C685-C701 PolarHBondContact SG-SG 3.14Å; D686-C701 PolarHBondContact N-SG 3.16Å; C701-G703 PolarHBondContact O-N 2.82Å
702	G	84.6	Confident	84.8	Confident	56 Å²	56	61.6 Å²	61.6	58%	0.577	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	20.9	-174.8	0	0	0	0	0	114	V694 V700	V694-G702 PolarHBondContact O-N 3.12Å; V700-G702 PolarHBondContact O-N 3.27Å
703	G	83.8	Confident	84.7	Confident	25 Å²	25	56.7 Å²	56.7	26%	0.258	33%	0.325	S	S	.	.			trans	-69.8	164.8	-178.1	0	0	0	0	0	114.2	D696 V700 C701	D696-G703 WeakPolarHBondContact OD2-CA 3.49Å; V700-G703 PolarHBondContact O-N 3.39Å; C701-G703 PolarHBondContact O-N 2.82Å
704	D	85.4	Confident	84.7	Confident	104 Å²	104	56 Å²	56	56%	0.556	33%	0.328	S	S	*	.			trans	-91.9	7.5	179.2	68.6	-15.7	0	0	0	113.3	S706 K868	D704-S706 PolarHBondContact O-N 3.06Å; D704-S706 WeakPolarHBondContact OD1-CB 3.09Å; D704-S706 PolarHBondContact OD1-N 3.04Å; D704-S706 PolarHBondContact OD1-OG 3.22Å; D704-S706 WeakPolarHBondContact OD2-CB 3.02Å; D704-S706 PolarHBondContact OD2-OG 3.37Å; D704-K868 IonicContact OD2-NZ 2.71Å
705	N	81.9	Confident	84.5	Confident	73 Å²	73	54.4 Å²	54.4	39%	0.39	31%	0.313	S	S	.	.	S	Bend	trans	67	12	-169	-51.1	-103.8	0	0	0	114.7	D696 K697	D696-N705 WeakPolarHBondContact OD2-CA 3.33Å; D696-N705 PolarHBondContact OD2-N 2.89Å; K697-N705 WeakPolarHBondContact CB-OD1 3.08Å; K697-N705 WeakPolarHBondContact CD-OD1 2.82Å; K697-N705 VanDerWaalsContact CG-OD1 3.29Å; K697-N705 WeakPolarHBondContact CG-OD1 3.37Å; K697-N705 PolarHBondContact N-OD1 3.07Å
706	S	80.2	Confident	84.4	Confident	46 Å²	46	55.4 Å²	55.4	32%	0.322	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.5	-176.4	75.6	0	0	0	0	115.5	D704 K868	D704-S706 PolarHBondContact O-N 3.06Å; D704-S706 WeakPolarHBondContact OD1-CB 3.09Å; D704-S706 PolarHBondContact OD1-N 3.04Å; D704-S706 PolarHBondContact OD1-OG 3.22Å; D704-S706 WeakPolarHBondContact OD2-CB 3.02Å; D704-S706 PolarHBondContact OD2-OG 3.37Å; S706-K868 PolarHBondContact OG-NZ 3.19Å
707	H	79.4	Confident	84	Confident	79 Å²	79	59.8 Å²	59.8	37%	0.366	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	18.9	-176.3	-78.8	-87	0	0	0	113.8	C698 V700 H823 E824	C698-H707 VanDerWaalsContact SG-C 3.59Å; V700-H707 HydrophobicContact CG2-CB 4.13Å; H707-H823 PolarHBondContact O-CD2 3.04Å; H707-E824 WeakPolarHBondContact O-CB 3.11Å; H707-E824 PolarHBondContact O-N 2.85Å
708	C	82.6	Confident	83.8	Confident	25 Å²	25	57.3 Å²	57.3	17%	0.169	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.4	175.8	46	0	0	0	0	113.1	C698 I821 I822	C698-C708 WeakPolarHBondContact CA-SG 3.44Å; C698-C708 HydrophobicContact CB-CB 3.24Å; C698-C708 WeakPolarHBondContact CB-SG 3.38Å; C698-C708 PolarHBondContact N-SG 3.39Å; C698-C708 WeakPolarHBondContact SG-CB 3.2Å; C698-C708 PolarHBondContact SG-N 2.86Å; C698-C708 CovalentContact SG-SG 2.03Å; C698-C708 PolarHBondContact SG-SG 2.96Å; C708-I821 HydrophobicContact CB-CG2 3.71Å; C708-I822 CarbonylContact C-O 3.41Å; C708-I822 VanDerWaalsContact CA-O 3.24Å; C708-I822 WeakPolarHBondContact CA-O 3.4Å; C708-I822 WeakPolarHBondContact CB-O 3.35Å
709	R	83.5	Confident	83.3	Confident	59 Å²	59	57.6 Å²	57.6	22%	0.223	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.1	178.7	-54.7	-172.3	-175.7	163.5	-0.7	108.6	V711 I822 E824 V834	R709-V711 PolarHBondContact O-N 3.42Å; R709-I822 PolarHBondContact N-O 2.67Å; R709-I822 PolarHBondContact O-N 3Å; R709-E824 IonicContact CZ-OE1 3.46Å; R709-E824 IonicContact NE-OE1 3.62Å; R709-E824 PolarHBondContact NE-OE1 3.18Å; R709-E824 IonicContact NH2-OE1 2.77Å; R709-E824 PolarHBondContact NH2-OE1 3.03Å; R709-V834 HydrophobicContact CB-CG1 3.84Å; R709-V834 VanDerWaalsContact CD-CG1 3.44Å; R709-V834 HydrophobicContact CG-CG1 4.26Å
710	T	86.2	Confident	82.7	Confident	71 Å²	71	65.2 Å²	65.2	44%	0.436	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.8	172.2	-60.1	0	0	0	0	108.7	K819 Y820 I821	T710-K819 HydrophobicContact CG2-CG 4.29Å; T710-Y820 CarbonylContact C-O 3.5Å; T710-Y820 WeakPolarHBondContact CA-O 2.94Å; T710-I821 HydrophobicContact CG2-CG1 4.41Å
711	V	85.2	Confident	81.7	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125	171.7	-172.4	0	0	0	0	107.8	R709 Y818 K819 Y820 I822 V834	R709-V711 PolarHBondContact O-N 3.42Å; V711-Y818 HydrophobicContact CG1-CE2 4.11Å; V711-K819 CarbonylContact O-C 3.52Å; V711-K819 WeakPolarHBondContact O-CA 3.5Å; V711-Y820 HydrophobicContact CB-CD1 4.39Å; V711-Y820 HydrophobicContact CB-CD2 4.12Å; V711-Y820 HydrophobicContact CB-CE1 4.03Å; V711-Y820 HydrophobicContact CB-CE2 3.72Å; V711-Y820 HydrophobicContact CB-CG 4.44Å; V711-Y820 HydrophobicContact CG1-CE1 4.04Å; V711-Y820 HydrophobicContact CG1-CE2 4.37Å; V711-Y820 HydrophobicContact CG2-CD2 4.28Å; V711-Y820 HydrophobicContact CG2-CE2 3.64Å; V711-Y820 PolarHBondContact N-O 3.01Å; V711-Y820 PolarHBondContact O-N 3Å; V711-Y820 VanDerWaalsContact O-O 3.11Å; V711-I822 HydrophobicContact CG2-CG2 3.98Å; V711-V834 HydrophobicContact CG2-CG2 4.43Å
712	K	87.9	Confident	80.6	Confident	140 Å²	140	74 Å²	74	61%	0.609	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.6	173.7	64.9	179.8	-178.1	178.5	0	109.6	Y818	K712-Y818 WeakPolarHBondContact CA-O 3.4Å
713	G	83.8	Confident	80.2	Confident	22 Å²	22	73 Å²	73	23%	0.227	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	161.8	178.7	0	0	0	0	0	112.7	Y818	G713-Y818 PolarHBondContact N-O 3Å; G713-Y818 WeakPolarHBondContact O-CD1 3.35Å; G713-Y818 PolarHBondContact O-N 3.34Å
714	T	86.8	Confident	80	Confident	78 Å²	78	76 Å²	76	48%	0.479	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.1	171.5	-52.1	0	0	0	0	107.6	T815 L816 M817	T714-T815 HydrophobicContact CG2-CG2 3.47Å; T714-T815 VanDerWaalsContact CG2-CG2 3.47Å; T714-L816 WeakPolarHBondContact CA-O 3.46Å; T714-M817 HydrophobicContact CG2-CG 4.1Å
715	F	83.3	Confident	80	Confident	70 Å²	70	72.1 Å²	72.1	31%	0.307	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	104.3	-177.9	-166.9	-90.9	0	0	0	109.8	R717 M727 F728 L816 Y818	F715-R717 HydrophobicContact CD1-CB 4.4Å; F715-R717 HydrophobicContact CE1-CB 3.93Å; F715-R717 HydrophobicContact CE1-CG 4.47Å; F715-M727 HydrophobicContact CD1-CB 3.98Å; F715-M727 HydrophobicContact CD1-CE 3.93Å; F715-M727 HydrophobicContact CD1-SD 3.85Å; F715-M727 HydrophobicContact CE1-CB 4.21Å; F715-M727 VanDerWaalsContact CE1-O 3.28Å; F715-M727 WeakPolarHBondContact CE1-O 3.45Å; F715-M727 HydrophobicContact CE1-SD 3.95Å; F715-M727 WeakPolarHBondContact CZ-O 3.18Å; F715-M727 WeakPolarHBondContact O-CE 3.44Å; F715-F728 HydrophobicContact CB-CD1 4.08Å; F715-F728 HydrophobicContact CB-CE1 4.46Å; F715-F728 HydrophobicContact CD1-CD1 4.44Å; F715-F728 HydrophobicContact CG-CD1 4.27Å; F715-L816 PolarHBondContact N-O 2.75Å; F715-L816 PolarHBondContact O-N 3.22Å; F715-L816 VanDerWaalsContact O-N 3.1Å; F715-Y818 HydrophobicContact CB-CE1 4.37Å
716	T	83.6	Confident	80.2	Confident	59 Å²	59	72.9 Å²	72.9	36%	0.362	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.2	174.3	-56.8	0	0	0	0	109.9	R813 S814 T815	T716-R813 HydrophobicContact CG2-CB 4.36Å; T716-S814 WeakPolarHBondContact CA-O 3.39Å; T716-T815 WeakPolarHBondContact CB-OG1 3.43Å; T716-T815 WeakPolarHBondContact CG2-OG1 3.5Å; T716-T815 VanDerWaalsContact OG1-CG2 3.27Å; T716-T815 WeakPolarHBondContact OG1-CG2 3.38Å; T716-T815 PolarHBondContact OG1-OG1 2.94Å
717	R	80.1	Confident	80.4	Confident	108 Å²	108	71.1 Å²	71.1	41%	0.408	36%	0.36	S	S	.	.			trans	-146.7	129.6	176.2	-168.2	179.9	177.1	153.7	8.6	110.6	F715 L725 K726 M727 S814	F715-R717 HydrophobicContact CD1-CB 4.4Å; F715-R717 HydrophobicContact CE1-CB 3.93Å; F715-R717 HydrophobicContact CE1-CG 4.47Å; R717-L725 HydrophobicContact CB-CD2 4.3Å; R717-L725 HydrophobicContact CG-CD2 3.91Å; R717-K726 PolarHBondContact NH1-O 2.72Å; R717-M727 HydrophobicContact CB-CE 4.23Å; R717-M727 HydrophobicContact CB-SD 3.73Å; R717-S814 PolarHBondContact N-O 3.3Å
718	T	79.4	Confident	80.8	Confident	64 Å²	64	68.3 Å²	68.3	39%	0.393	35%	0.346	S	S	.	.			trans	-75.3	142.5	170.2	41.1	0	0	0	0	111.3	R813	T718-R813 HydrophobicContact CG2-CG 3.85Å
719	P	72.8	Confident	81	Confident	9 Å²	9	71.6 Å²	71.6	6%	0.058	36%	0.359	C	S	.	.			trans	-56.2	153.8	162.5	-20.1	32.4	0	0	0	111.3	P807 T812	P719-P807 HydrophobicContact CB-CG 3.95Å; P719-P807 HydrophobicContact CG-CB 3.71Å; P719-P807 HydrophobicContact CG-CG 3.65Å; P719-T812 WeakPolarHBondContact CD-O 3.46Å
720	K	69.2	Low	81.3	Confident	183 Å²	183	68.9 Å²	68.9	80%	0.796	35%	0.349	S	S	*	.	S	Bend	trans	-136.1	-7.5	170.9	-67.4	-164.2	175.5	-167.1	0	113.5
721	K	67.6	Low	81.4	Confident	169 Å²	169	66.6 Å²	66.6	74%	0.735	34%	0.335	S	S	*	.	S	Bend	trans	-158.7	148.1	177.7	-64.5	-167.5	177.7	-170.6	0	106.8
722	P	65.4	Low	81.4	Confident	108 Å²	108	69.1 Å²	69.1	70%	0.701	35%	0.352	S	S	*	.	S	Bend	trans	-65.2	150.3	170.1	28	-35	0	0	0	111.4
723	G	75.3	Confident	81.2	Confident	34 Å²	34	63.8 Å²	63.8	35%	0.351	34%	0.337	S	S	.	.	S	Bend	trans	107.4	-173.5	-178.8	0	0	0	0	0	114.1	L725	G723-L725 PolarHBondContact O-N 2.88Å; G723-L725 VanDerWaalsContact O-N 3.1Å
724	Y	81	Confident	81.5	Confident	89 Å²	89	62.8 Å²	62.8	35%	0.349	33%	0.326	S	S	.	.			trans	-61.4	108.4	-173	-62.8	-85.8	0	0	0	113.4	A750 Y759 N762 G763 L804 I805 I806	Y724-A750 HydrophobicContact CD1-CB 3.91Å; Y724-A750 HydrophobicContact CE1-CB 3.67Å; Y724-Y759 HydrophobicContact CD1-CE1 4.32Å; Y724-Y759 HydrophobicContact CE1-CE1 4Å; Y724-N762 PolarHBondContact OH-O 3.28Å; Y724-G763 VanDerWaalsContact OH-C 3.29Å; Y724-G763 WeakPolarHBondContact OH-CA 3.48Å; Y724-G763 PolarHBondContact OH-O 3Å; Y724-L804 HydrophobicContact CD1-CB 4.23Å; Y724-L804 HydrophobicContact CD1-CD1 3.96Å; Y724-L804 HydrophobicContact CG-CD1 4.36Å; Y724-I805 CarbonylContact C-O 3.55Å; Y724-I805 WeakPolarHBondContact CA-O 3.36Å; Y724-I806 HydrophobicContact CD1-CD1 4.11Å; Y724-I806 HydrophobicContact CD1-CG1 3.69Å; Y724-I806 HydrophobicContact CE1-CD1 3.53Å; Y724-I806 HydrophobicContact CE1-CG1 3.66Å; Y724-I806 HydrophobicContact CG-CG1 4.44Å
725	L	84.4	Confident	81.7	Confident	22 Å²	22	60.7 Å²	60.7	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.7	173.5	-168.9	68.9	0	0	0	110.1	R717 G723 M727 L804 I805	R717-L725 HydrophobicContact CB-CD2 4.3Å; R717-L725 HydrophobicContact CG-CD2 3.91Å; G723-L725 PolarHBondContact O-N 2.88Å; G723-L725 VanDerWaalsContact O-N 3.1Å; L725-M727 PolarHBondContact O-N 3.08Å; L725-L804 CarbonylContact O-C 3.18Å; L725-L804 WeakPolarHBondContact O-CA 3.23Å; L725-I805 HydrophobicContact CB-CD1 4.46Å; L725-I805 HydrophobicContact CB-CG1 3.89Å; L725-I805 HydrophobicContact CD2-CD1 4.19Å; L725-I805 HydrophobicContact CD2-CG1 4.49Å; L725-I805 PolarHBondContact N-O 2.77Å; L725-I805 PolarHBondContact O-N 2.81Å
726	K	85.9	Confident	82	Confident	89 Å²	89	60.9 Å²	60.9	39%	0.387	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.8	175	179.4	167.9	176.8	161.6	0	110.8	R717 V802 L804	R717-K726 PolarHBondContact NH1-O 2.72Å; K726-V802 HydrophobicContact CD-CG1 3.67Å; K726-V802 HydrophobicContact CG-CG1 3.83Å; K726-L804 HydrophobicContact CB-CD2 3.82Å; K726-L804 HydrophobicContact CG-CD2 4.25Å
727	M	85.3	Confident	82.5	Confident	9 Å²	9	58.2 Å²	58.2	4%	0.044	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-75.8	176.2	-63.5	-64.7	-98.7	0	0	109.5	F715 R717 L725 V803 I805 L816	F715-M727 HydrophobicContact CD1-CB 3.98Å; F715-M727 HydrophobicContact CD1-CE 3.93Å; F715-M727 HydrophobicContact CD1-SD 3.85Å; F715-M727 HydrophobicContact CE1-CB 4.21Å; F715-M727 VanDerWaalsContact CE1-O 3.28Å; F715-M727 WeakPolarHBondContact CE1-O 3.45Å; F715-M727 HydrophobicContact CE1-SD 3.95Å; F715-M727 WeakPolarHBondContact CZ-O 3.18Å; F715-M727 WeakPolarHBondContact O-CE 3.44Å; R717-M727 HydrophobicContact CB-CE 4.23Å; R717-M727 HydrophobicContact CB-SD 3.73Å; L725-M727 PolarHBondContact O-N 3.08Å; M727-V803 PolarHBondContact N-O 2.79Å; M727-I805 HydrophobicContact CE-CD1 3.83Å; M727-I805 HydrophobicContact CG-CD1 4.11Å; M727-I805 HydrophobicContact CG-CG1 3.97Å; M727-I805 HydrophobicContact CG-CG2 4.13Å; M727-I805 HydrophobicContact SD-CD1 3.67Å; M727-I805 HydrophobicContact SD-CG1 4.1Å; M727-L816 HydrophobicContact CB-CD1 4.45Å; M727-L816 HydrophobicContact CE-CB 4.42Å; M727-L816 HydrophobicContact CE-CD1 4.27Å; M727-L816 HydrophobicContact CE-CG 4.03Å; M727-L816 HydrophobicContact CG-CD1 4.08Å
728	F	87.4	Confident	83.1	Confident	19 Å²	19	56.7 Å²	56.7	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-173.5	-179.8	51.2	-89	0	0	0	111	F715 V730 I739 V803 L816 Y818	F715-F728 HydrophobicContact CB-CD1 4.08Å; F715-F728 HydrophobicContact CB-CE1 4.46Å; F715-F728 HydrophobicContact CD1-CD1 4.44Å; F715-F728 HydrophobicContact CG-CD1 4.27Å; F728-V730 HydrophobicContact CD2-CG2 4.42Å; F728-V730 HydrophobicContact CE2-CG2 4.24Å; F728-I739 HydrophobicContact CE2-CG1 4.41Å; F728-I739 HydrophobicContact CZ-CG1 4.24Å; F728-I739 HydrophobicContact CZ-CG2 4.35Å; F728-V803 HydrophobicContact CD2-CB 4.2Å; F728-V803 HydrophobicContact CD2-CG2 3.91Å; F728-V803 HydrophobicContact CE1-CB 4.41Å; F728-V803 HydrophobicContact CE1-CG1 4.26Å; F728-V803 HydrophobicContact CE2-CB 3.95Å; F728-V803 HydrophobicContact CE2-CG1 4.33Å; F728-V803 HydrophobicContact CE2-CG2 3.47Å; F728-V803 VanDerWaalsContact CE2-CG2 3.47Å; F728-V803 HydrophobicContact CZ-CB 4.03Å; F728-V803 HydrophobicContact CZ-CG1 3.93Å; F728-V803 HydrophobicContact CZ-CG2 3.93Å; F728-V803 PolarHBondContact O-N 3.44Å; F728-L816 HydrophobicContact CE1-CB 4.16Å; F728-L816 HydrophobicContact CE1-CD1 4.23Å; F728-Y818 HydrophobicContact CD1-CD1 4.01Å; F728-Y818 HydrophobicContact CD1-CE1 4.31Å; F728-Y818 HydrophobicContact CD2-CD1 4.31Å; F728-Y818 HydrophobicContact CD2-CG 4.32Å; F728-Y818 AromaticContact CE1-CD1 3.75Å; F728-Y818 HydrophobicContact CE1-CD1 3.75Å; F728-Y818 HydrophobicContact CE1-CE1 4.48Å; F728-Y818 HydrophobicContact CE1-CG 4.3Å; F728-Y818 HydrophobicContact CE2-CD1 4.03Å; F728-Y818 HydrophobicContact CE2-CD2 4.45Å; F728-Y818 AromaticContact CE2-CG 3.82Å; F728-Y818 HydrophobicContact CE2-CG 3.82Å; F728-Y818 HydrophobicContact CG-CD1 4.32Å; F728-Y818 HydrophobicContact CG-CE1 4.45Å; F728-Y818 AromaticContact CZ-CD1 3.78Å; F728-Y818 HydrophobicContact CZ-CD1 3.78Å; F728-Y818 AromaticContact CZ-CG 3.84Å; F728-Y818 HydrophobicContact CZ-CG 3.84Å
729	H	87.6	Confident	83.7	Confident	95 Å²	95	53.8 Å²	53.8	44%	0.44	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151	170.7	67	-72.7	0	0	0	109.1	V801	H729-V801 CarbonylContact C-O 3.56Å; H729-V801 VanDerWaalsContact CA-O 3.25Å; H729-V801 WeakPolarHBondContact CA-O 3Å
730	V	89	Confident	84.5	Confident	2 Å²	2	59 Å²	59	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	173.1	-171.4	0	0	0	0	107.1	F728 A734 V737 L797 P800 V801 V803 Y820	F728-V730 HydrophobicContact CD2-CG2 4.42Å; F728-V730 HydrophobicContact CE2-CG2 4.24Å; V730-A734 HydrophobicContact CG1-CB 3.51Å; V730-V737 HydrophobicContact CG1-CG1 4.19Å; V730-V737 HydrophobicContact CG1-CG2 4.05Å; V730-V737 HydrophobicContact CG2-CG1 4.23Å; V730-L797 HydrophobicContact CB-CD1 4.04Å; V730-L797 HydrophobicContact CG1-CD1 3.66Å; V730-P800 WeakPolarHBondContact O-CA 3.13Å; V730-V801 PolarHBondContact N-O 2.94Å; V730-V801 PolarHBondContact O-N 2.96Å; V730-V803 HydrophobicContact CG2-CG2 4.24Å; V730-Y820 HydrophobicContact CG1-CD1 4.18Å; V730-Y820 HydrophobicContact CG1-CE1 4.4Å; V730-Y820 HydrophobicContact CG1-CG 4.35Å
731	P	88.3	Confident	85.3	Confident	22 Å²	22	50.4 Å²	50.4	14%	0.143	26%	0.256	C	S	.	.			trans	-71.6	160.2	-178	30.2	-36	0	0	0	112.2	A734 Y820 I822	P731-A734 HydrophobicContact CG-CB 4.45Å; P731-A734 VanDerWaalsContact O-CB 3.24Å; P731-A734 WeakPolarHBondContact O-CB 3.07Å; P731-A734 PolarHBondContact O-N 2.9Å; P731-Y820 HydrophobicContact CG-CE2 4Å; P731-I822 HydrophobicContact CB-CD1 4.27Å; P731-I822 HydrophobicContact CG-CD1 3.68Å
732	P	86.3	Confident	85.7	Confident	60 Å²	60	47.1 Å²	47.1	39%	0.39	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	154.9	167.4	31.5	-37.1	0	0	0	110.7	A734 L797 H798	P732-A734 PolarHBondContact O-N 2.97Å; P732-L797 CarbonylContact C-O 3.06Å; P732-L797 WeakPolarHBondContact CA-O 2.96Å; P732-H798 WeakPolarHBondContact CB-O 3.42Å
733	G	83.8	Confident	85.9	Confident	29 Å²	29	48.4 Å²	48.4	30%	0.299	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-1.8	-173	0	0	0	0	0	114.9	L797	G733-L797 PolarHBondContact N-O 2.93Å
734	A	89.6	Confident	85.3	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.			trans	-70.2	138.2	173.6	0	0	0	0	0	111.8	V730 P731 P732 V737 P796 L797 Y820 I821	V730-A734 HydrophobicContact CG1-CB 3.51Å; P731-A734 HydrophobicContact CG-CB 4.45Å; P731-A734 VanDerWaalsContact O-CB 3.24Å; P731-A734 WeakPolarHBondContact O-CB 3.07Å; P731-A734 PolarHBondContact O-N 2.9Å; P732-A734 PolarHBondContact O-N 2.97Å; A734-V737 HydrophobicContact CB-CG2 4.01Å; A734-P796 WeakPolarHBondContact O-CA 3.28Å; A734-L797 HydrophobicContact CB-CD1 4.45Å; A734-L797 PolarHBondContact O-N 3.06Å; A734-Y820 HydrophobicContact CB-CD2 3.84Å; A734-Y820 HydrophobicContact CB-CE2 4.4Å; A734-Y820 HydrophobicContact CB-CG 4.25Å; A734-I821 WeakPolarHBondContact CA-O 3.13Å
735	R	90.2	Very high	84.6	Confident	34 Å²	34	47.6 Å²	47.6	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.7	-175.7	-66.3	167.3	-179.2	-98.3	6.8	110.8	E695 G699 V737 D794 P796 I821	E695-R735 IonicContact OE1-CZ 3.98Å; E695-R735 IonicContact OE1-NH1 3.75Å; E695-R735 PolarHBondContact OE1-NH1 3.47Å; E695-R735 IonicContact OE1-NH2 2.91Å; E695-R735 PolarHBondContact OE1-NH2 3.07Å; E695-R735 IonicContact OE2-CZ 2.89Å; E695-R735 IonicContact OE2-NH1 3.38Å; E695-R735 PolarHBondContact OE2-NH1 3.38Å; E695-R735 IonicContact OE2-NH2 2.9Å; E695-R735 PolarHBondContact OE2-NH2 3.03Å; G699-R735 VanDerWaalsContact CA-NH2 3.31Å; R735-V737 PolarHBondContact O-N 3.16Å; R735-D794 CarbonylContact C-O 3.58Å; R735-D794 WeakPolarHBondContact CA-O 3.44Å; R735-P796 HydrophobicContact CG-CB 3.91Å; R735-I821 PolarHBondContact N-O 3.47Å; R735-I821 PolarHBondContact O-N 3.36Å
736	H	90.9	Very high	83.8	Confident	74 Å²	74	49.1 Å²	49.1	34%	0.343	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.3	47.9	-177	-54.9	90.4	0	0	0	111.7	Q738 T793 D794 I821	H736-Q738 PolarHBondContact O-N 2.94Å; H736-T793 CarbonylContact C-O 3.33Å; H736-T793 WeakPolarHBondContact CA-O 3.14Å; H736-D794 IonicContact CD2-OD1 3.16Å; H736-D794 PolarHBondContact N-O 2.89Å; H736-I821 HydrophobicContact CB-CD1 4.32Å; H736-I821 HydrophobicContact CB-CG1 4.45Å
737	V	92.5	Very high	83.4	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	113.4	-176.5	-176.8	0	0	0	0	108	V730 A734 R735 I739 H792 T793 L797 K819	V730-V737 HydrophobicContact CG1-CG1 4.19Å; V730-V737 HydrophobicContact CG1-CG2 4.05Å; V730-V737 HydrophobicContact CG2-CG1 4.23Å; A734-V737 HydrophobicContact CB-CG2 4.01Å; R735-V737 PolarHBondContact O-N 3.16Å; V737-I739 HydrophobicContact CG1-CD1 4.49Å; V737-H792 CarbonylContact O-C 3.59Å; V737-H792 VanDerWaalsContact O-CA 3.23Å; V737-H792 WeakPolarHBondContact O-CA 3.27Å; V737-T793 HydrophobicContact CB-CG2 4.03Å; V737-T793 PolarHBondContact N-O 2.64Å; V737-T793 PolarHBondContact O-N 3.22Å; V737-L797 HydrophobicContact CG2-CD1 4.09Å; V737-L797 HydrophobicContact CG2-CG 4.34Å; V737-K819 WeakPolarHBondContact CA-O 3.31Å
738	Q	93.4	Very high	83.3	Confident	75 Å²	75	46 Å²	46	35%	0.35	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.1	176.7	-175.5	176.4	26.2	0	0	108.7	H736 H792 Y818 K819	H736-Q738 PolarHBondContact O-N 2.94Å; Q738-H792 HydrophobicContact CB-CB 4.47Å; Q738-H792 HydrophobicContact CG-CB 4.44Å; Q738-Y818 CarbonylContact O-C 3.26Å; Q738-Y818 WeakPolarHBondContact O-CA 3.49Å; Q738-K819 PolarHBondContact N-O 3.09Å; Q738-K819 PolarHBondContact O-N 2.93Å
739	I	92.1	Very high	83.3	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122	173.6	-60.8	160.3	0	0	0	106.1	F728 V737 L749 I751 L791 V803 L816 M817	F728-I739 HydrophobicContact CE2-CG1 4.41Å; F728-I739 HydrophobicContact CZ-CG1 4.24Å; F728-I739 HydrophobicContact CZ-CG2 4.35Å; V737-I739 HydrophobicContact CG1-CD1 4.49Å; I739-L749 HydrophobicContact CG2-CD1 4.09Å; I739-L749 HydrophobicContact CG2-CD2 4.17Å; I739-I751 HydrophobicContact CD1-CD1 3.76Å; I739-L791 PolarHBondContact N-O 3.3Å; I739-L791 PolarHBondContact O-N 2.9Å; I739-L791 VanDerWaalsContact O-O 3.06Å; I739-V803 HydrophobicContact CD1-CG1 4.27Å; I739-V803 HydrophobicContact CD1-CG2 3.58Å; I739-L816 HydrophobicContact CG2-CD1 4.21Å; I739-M817 WeakPolarHBondContact CA-O 3.04Å
740	R	89.6	Confident	83.4	Confident	118 Å²	118	40.7 Å²	40.7	45%	0.445	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139	-179.2	168.5	166	176.9	159.8	7.5	110.1	T790 M817	R740-T790 HydrophobicContact CB-CG2 4.28Å; R740-T790 WeakPolarHBondContact CG-OG1 3.41Å; R740-M817 PolarHBondContact N-O 3.3Å; R740-M817 WeakPolarHBondContact O-CA 3.26Å; R740-M817 WeakPolarHBondContact O-CB 3.43Å; R740-M817 PolarHBondContact O-N 2.95Å
741	E	86.3	Confident	83.5	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.4	171.5	-159.2	172	-163.2	0	0	112.4	E743 D745 Q747 V788 E789 L816	E741-E743 WeakPolarHBondContact CG-O 3.27Å; E741-D745 VanDerWaalsContact OE1-CB 3.28Å; E741-D745 WeakPolarHBondContact OE1-CB 3.44Å; E741-Q747 VanDerWaalsContact OE1-CD 3.29Å; E741-Q747 WeakPolarHBondContact OE1-CG 3.47Å; E741-Q747 PolarHBondContact OE1-NE2 2.88Å; E741-V788 HydrophobicContact CB-CG1 4.19Å; E741-E789 WeakPolarHBondContact CB-O 3.26Å; E741-E789 PolarHBondContact N-O 3.48Å; E741-E789 PolarHBondContact OE2-N 3.13Å; E741-L816 HydrophobicContact CB-CD2 4.33Å; E741-L816 HydrophobicContact CG-CD2 4.37Å
742	H	74.8	Confident	83.5	Confident	100 Å²	100	42.5 Å²	42.5	46%	0.463	22%	0.222	S	C	.	.	S	Bend	trans	-79.7	-39.5	-173.1	-169.5	-4.7	0	0	0	113.2	T815 M817	H742-T815 HydrophobicContact CB-CG2 3.79Å; H742-T815 PolarHBondContact N-O 2.8Å; H742-T815 VanDerWaalsContact N-O 3.12Å; H742-M817 HydrophobicContact CB-CG 4.27Å; H742-M817 HydrophobicContact CB-SD 4.46Å
743	E	71.3	Confident	83.5	Confident	136 Å²	136	39.7 Å²	39.7	64%	0.636	20%	0.204	S	C	*	.	S	Bend	trans	-130.5	169.2	-178.5	-62.9	-176.2	166.9	0	0	108.2	E741 D745	E741-E743 WeakPolarHBondContact CG-O 3.27Å; E743-D745 PolarHBondContact O-N 2.03Å
744	A	62.3	Low	83.5	Confident	68 Å²	68	43 Å²	43	56%	0.562	21%	0.211	S	C	*	.			trans	-85.1	93.4	-178.4	0	0	0	0	0	109.8	D787 V788	A744-D787 CarbonylContact C-O 2.91Å; A744-D787 WeakPolarHBondContact CA-O 3.47Å; A744-D787 HydrophobicContact CB-CB 4.24Å; A744-V788 HydrophobicContact CB-CG2 3.81Å
745	D	65.8	Low	82.9	Confident	37 Å²	37	45.5 Å²	45.5	20%	0.198	23%	0.233	C	C	.	.			trans	-122.5	143.4	-165.4	-125.7	-12.8	0	0	0	110.5	E741 E743 Q747 D787	E741-D745 VanDerWaalsContact OE1-CB 3.28Å; E741-D745 WeakPolarHBondContact OE1-CB 3.44Å; E743-D745 PolarHBondContact O-N 2.03Å; D745-Q747 VanDerWaalsContact C-N 3.25Å; D745-Q747 HydrophobicContact CB-CG 4.5Å; D745-Q747 PolarHBondContact O-N 3.43Å; D745-D787 PolarHBondContact N-O 3.3Å
746	P	67.6	Low	82.3	Confident	54 Å²	54	47.9 Å²	47.9	35%	0.351	25%	0.251	S	S	.	.	S	Bend	trans	-81.7	61.3	-173.1	33.6	-36	0	0	0	112.6	K808	P746-K808 HydrophobicContact CB-CD 4.1Å; P746-K808 WeakPolarHBondContact O-CB 3.49Å; P746-K808 WeakPolarHBondContact O-CD 3.21Å; P746-K808 WeakPolarHBondContact O-CG 3.12Å; P746-K808 PolarHBondContact O-N 3.39Å; P746-K808 VanDerWaalsContact O-N 3.16Å
747	Q	77.3	Confident	81.8	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.023	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	167	173.4	54.7	172.3	-12.2	0	0	111.5	E741 D745 S814	E741-Q747 VanDerWaalsContact OE1-CD 3.29Å; E741-Q747 WeakPolarHBondContact OE1-CG 3.47Å; E741-Q747 PolarHBondContact OE1-NE2 2.88Å; D745-Q747 VanDerWaalsContact C-N 3.25Å; D745-Q747 HydrophobicContact CB-CG 4.5Å; D745-Q747 PolarHBondContact O-N 3.43Å; Q747-S814 PolarHBondContact OE1-OG 2.92Å
748	I	83.7	Confident	81.4	Confident	27 Å²	27	50.1 Å²	50.1	14%	0.138	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.8	178.6	-60.4	161.8	0	0	0	108.8	N762 L768 I805 I806	I748-N762 HydrophobicContact CG2-CB 4.12Å; I748-N762 WeakPolarHBondContact CG2-ND2 3.17Å; I748-L768 HydrophobicContact CB-CD2 4.46Å; I748-L768 HydrophobicContact CD1-CD1 3.79Å; I748-L768 HydrophobicContact CD1-CD2 4.15Å; I748-L768 HydrophobicContact CG1-CD1 4.07Å; I748-L768 HydrophobicContact CG1-CD2 3.99Å; I748-L768 HydrophobicContact CG2-CD2 3.66Å; I748-I805 CarbonylContact O-C 3.54Å; I748-I805 VanDerWaalsContact O-CA 3.31Å; I748-I805 WeakPolarHBondContact O-CA 3.36Å; I748-I806 HydrophobicContact CB-CB 4.24Å; I748-I806 HydrophobicContact CG2-CD1 4.45Å; I748-I806 PolarHBondContact N-O 2.81Å; I748-I806 PolarHBondContact O-N 3.48Å
749	L	88.2	Confident	81	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.5	173.2	-171	70	0	0	0	109.9	I739 L761 N762 E789 L791 V803 I805 L816	I739-L749 HydrophobicContact CG2-CD1 4.09Å; I739-L749 HydrophobicContact CG2-CD2 4.17Å; L749-L761 HydrophobicContact CD2-CD2 4.36Å; L749-L761 HydrophobicContact CG-CD2 4.48Å; L749-N762 WeakPolarHBondContact O-CB 3.24Å; L749-N762 PolarHBondContact O-ND2 3.03Å; L749-E789 WeakPolarHBondContact CA-OE2 3.43Å; L749-E789 WeakPolarHBondContact CB-OE2 3.37Å; L749-E789 PolarHBondContact N-OE2 2.97Å; L749-L791 HydrophobicContact CD2-CB 3.6Å; L749-L791 HydrophobicContact CD2-CD2 3.94Å; L749-L791 HydrophobicContact CD2-CG 4.43Å; L749-V803 HydrophobicContact CD1-CG1 3.75Å; L749-I805 HydrophobicContact CD1-CG2 4.25Å; L749-L816 HydrophobicContact CD1-CD1 3.75Å
750	A	89	Confident	80.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.5	174.2	0	0	0	0	0	110	Y724 L761 N762 L804 I806	Y724-A750 HydrophobicContact CD1-CB 3.91Å; Y724-A750 HydrophobicContact CE1-CB 3.67Å; A750-L761 WeakPolarHBondContact CA-O 3.41Å; A750-N762 HydrophobicContact CB-CB 4.19Å; A750-L804 HydrophobicContact CB-CB 4.21Å; A750-L804 PolarHBondContact N-O 2.91Å; A750-L804 CarbonylContact O-C 3.4Å; A750-L804 WeakPolarHBondContact O-CA 3.42Å; A750-L804 VanDerWaalsContact O-CB 3.3Å; A750-L804 WeakPolarHBondContact O-CB 3.04Å; A750-L804 PolarHBondContact O-N 2.98Å; A750-I806 HydrophobicContact CB-CG1 4.41Å
751	I	89.9	Confident	80.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.2	-175.4	-64.8	-143.8	0	0	0	110.6	I739 Y759 I760 L761 W780 L791 V801 V803	I739-I751 HydrophobicContact CD1-CD1 3.76Å; I751-Y759 CarbonylContact O-C 3.48Å; I751-Y759 WeakPolarHBondContact O-CA 3.32Å; I751-I760 HydrophobicContact CB-CB 4.2Å; I751-I760 HydrophobicContact CG2-CB 3.89Å; I751-I760 HydrophobicContact CG2-CD1 3.84Å; I751-I760 HydrophobicContact CG2-CG1 4.19Å; I751-I760 HydrophobicContact CG2-CG2 4.38Å; I751-I760 PolarHBondContact O-N 2.97Å; I751-L761 HydrophobicContact CB-CB 4.1Å; I751-L761 PolarHBondContact N-O 2.85Å; I751-L761 PolarHBondContact O-N 3.43Å; I751-W780 HydrophobicContact CD1-CZ3 4.39Å; I751-L791 HydrophobicContact CD1-CD2 3.28Å; I751-L791 HydrophobicContact CG1-CD2 3.89Å; I751-V801 HydrophobicContact CD1-CG1 4.49Å; I751-V801 HydrophobicContact CG2-CG1 3.19Å; I751-V803 HydrophobicContact CD1-CG2 4.18Å
752	K	88.4	Confident	80.3	Confident	63 Å²	63	45 Å²	45	27%	0.274	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.9	-176.4	-163.1	-177.6	-172.2	174.6	0	111.7	Q754 G757 H758 Y759 V802 L804	K752-Q754 PolarHBondContact O-N 2.95Å; K752-G757 WeakPolarHBondContact CE-O 3.34Å; K752-H758 CarbonylContact C-O 3.51Å; K752-H758 WeakPolarHBondContact CA-O 3.47Å; K752-H758 VanDerWaalsContact CG-O 3.27Å; K752-H758 WeakPolarHBondContact CG-O 3.24Å; K752-Y759 HydrophobicContact CB-CD1 3.94Å; K752-Y759 HydrophobicContact CB-CE1 4.12Å; K752-Y759 HydrophobicContact CD-CD1 4.22Å; K752-Y759 HydrophobicContact CD-CE1 3.79Å; K752-Y759 HydrophobicContact CD-CE2 4.23Å; K752-Y759 HydrophobicContact CG-CD1 3.96Å; K752-Y759 HydrophobicContact CG-CE1 4.05Å; K752-Y759 HydrophobicContact CG-CG 4.21Å; K752-V802 PolarHBondContact N-O 3.24Å; K752-V802 PolarHBondContact O-N 3.32Å; K752-L804 HydrophobicContact CB-CD1 4.03Å; K752-L804 HydrophobicContact CD-CD1 4.47Å
753	N	86.6	Confident	80	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	130.2	167.9	-177.9	-40.8	0	0	0	109	A755 T756 G757 H758 L776 D799	N753-A755 WeakPolarHBondContact OD1-CA 3.5Å; N753-A755 WeakPolarHBondContact OD1-CB 3.44Å; N753-A755 PolarHBondContact OD1-N 3.49Å; N753-T756 WeakPolarHBondContact CB-OG1 3.4Å; N753-T756 PolarHBondContact ND2-OG1 2.96Å; N753-T756 PolarHBondContact OD1-N 3.05Å; N753-G757 VanDerWaalsContact O-CA 3.26Å; N753-G757 WeakPolarHBondContact O-CA 3.35Å; N753-G757 PolarHBondContact O-N 2.84Å; N753-G757 VanDerWaalsContact O-N 3.14Å; N753-H758 PolarHBondContact N-O 2.95Å; N753-L776 HydrophobicContact CB-CD1 4.02Å; N753-L776 HydrophobicContact CB-CD2 4.39Å; N753-L776 VanDerWaalsContact ND2-CD1 3.28Å; N753-L776 WeakPolarHBondContact ND2-CD1 3.02Å; N753-L776 VanDerWaalsContact ND2-CD2 3.25Å; N753-L776 WeakPolarHBondContact ND2-CD2 3.21Å; N753-D799 PolarHBondContact ND2-OD2 2.87Å
754	Q	83.7	Confident	79.6	Confident	98 Å²	98	43.4 Å²	43.4	46%	0.458	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-28.5	-178.8	-161	175.5	-85.4	0	0	113.4	K752 P800 V802	K752-Q754 PolarHBondContact O-N 2.95Å; Q754-P800 HydrophobicContact CB-CB 4.19Å; Q754-P800 HydrophobicContact CB-CG 4.13Å; Q754-P800 VanDerWaalsContact CB-O 3.25Å; Q754-P800 WeakPolarHBondContact CB-O 3.44Å; Q754-P800 PolarHBondContact N-O 3.25Å; Q754-V802 HydrophobicContact CB-CG2 3.78Å; Q754-V802 HydrophobicContact CG-CG2 3.82Å
755	A	78.5	Confident	79.3	Confident	54 Å²	54	45.3 Å²	45.3	45%	0.446	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-52.9	-178.6	0	0	0	0	0	112.1	N753	N753-A755 WeakPolarHBondContact OD1-CA 3.5Å; N753-A755 WeakPolarHBondContact OD1-CB 3.44Å; N753-A755 PolarHBondContact OD1-N 3.49Å
756	T	77.7	Confident	79.2	Confident	83 Å²	83	46.7 Å²	46.7	51%	0.509	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-21	-178.7	65.5	0	0	0	0	113.4	N753 H758	N753-T756 WeakPolarHBondContact CB-OG1 3.4Å; N753-T756 PolarHBondContact ND2-OG1 2.96Å; N753-T756 PolarHBondContact OD1-N 3.05Å; T756-H758 PolarHBondContact O-N 3.12Å; T756-H758 WeakPolarHBondContact OG1-CB 3.32Å; T756-H758 PolarHBondContact OG1-N 2.91Å
757	G	79.4	Confident	79	Confident	32 Å²	32	50.4 Å²	50.4	33%	0.33	28%	0.278	S	S	.	.			trans	71.8	6.2	-171.5	0	0	0	0	0	114.6	K752 N753	K752-G757 WeakPolarHBondContact CE-O 3.34Å; N753-G757 VanDerWaalsContact O-CA 3.26Å; N753-G757 WeakPolarHBondContact O-CA 3.35Å; N753-G757 PolarHBondContact O-N 2.84Å; N753-G757 VanDerWaalsContact O-N 3.14Å
758	H	83.2	Confident	78.8	Confident	93 Å²	93	54 Å²	54	43%	0.431	30%	0.297	S	S	.	.			trans	-66	143.9	174.1	-168	-127.3	0	0	0	111.1	K752 N753 T756 E775	K752-H758 CarbonylContact C-O 3.51Å; K752-H758 WeakPolarHBondContact CA-O 3.47Å; K752-H758 VanDerWaalsContact CG-O 3.27Å; K752-H758 WeakPolarHBondContact CG-O 3.24Å; N753-H758 PolarHBondContact N-O 2.95Å; T756-H758 PolarHBondContact O-N 3.12Å; T756-H758 WeakPolarHBondContact OG1-CB 3.32Å; T756-H758 PolarHBondContact OG1-N 2.91Å; H758-E775 IonicContact CE1-OE1 3.53Å; H758-E775 PolarHBondContact CE1-OE1 3.04Å; H758-E775 IonicContact ND1-OE1 3.66Å; H758-E775 PolarHBondContact ND1-OE1 3.08Å
759	Y	85.2	Confident	78.7	Confident	71 Å²	71	58.2 Å²	58.2	28%	0.278	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.8	172.5	-75	-87.4	0	0	0	109.5	Y724 I751 K752 L804	Y724-Y759 HydrophobicContact CD1-CE1 4.32Å; Y724-Y759 HydrophobicContact CE1-CE1 4Å; I751-Y759 CarbonylContact O-C 3.48Å; I751-Y759 WeakPolarHBondContact O-CA 3.32Å; K752-Y759 HydrophobicContact CB-CD1 3.94Å; K752-Y759 HydrophobicContact CB-CE1 4.12Å; K752-Y759 HydrophobicContact CD-CD1 4.22Å; K752-Y759 HydrophobicContact CD-CE1 3.79Å; K752-Y759 HydrophobicContact CD-CE2 4.23Å; K752-Y759 HydrophobicContact CG-CD1 3.96Å; K752-Y759 HydrophobicContact CG-CE1 4.05Å; K752-Y759 HydrophobicContact CG-CG 4.21Å; Y759-L804 HydrophobicContact CD1-CD1 4.46Å; Y759-L804 HydrophobicContact CE1-CD1 3.71Å
760	I	85.7	Confident	78.6	Confident	13 Å²	13	61.2 Å²	61.2	7%	0.067	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-40	178.2	-57.9	-176.9	0	0	0	110.4	I751 F773 E775 L776 W780 V801	I751-I760 HydrophobicContact CB-CB 4.2Å; I751-I760 HydrophobicContact CG2-CB 3.89Å; I751-I760 HydrophobicContact CG2-CD1 3.84Å; I751-I760 HydrophobicContact CG2-CG1 4.19Å; I751-I760 HydrophobicContact CG2-CG2 4.38Å; I751-I760 PolarHBondContact O-N 2.97Å; I760-F773 HydrophobicContact CG2-CE2 3.82Å; I760-F773 HydrophobicContact CG2-CZ 4.2Å; I760-F773 WeakPolarHBondContact O-CE2 3.38Å; I760-E775 HydrophobicContact CB-CG 4.08Å; I760-E775 HydrophobicContact CG1-CG 4.01Å; I760-E775 HydrophobicContact CG2-CB 4.09Å; I760-E775 HydrophobicContact CG2-CG 3.77Å; I760-L776 HydrophobicContact CD1-CD1 3.47Å; I760-L776 VanDerWaalsContact CD1-CD1 3.47Å; I760-L776 HydrophobicContact CD1-CG 3.83Å; I760-L776 HydrophobicContact CG1-CD1 4.34Å; I760-L776 HydrophobicContact CG1-CG 4.32Å; I760-W780 HydrophobicContact CD1-CZ2 4.08Å; I760-W780 HydrophobicContact CG2-CD2 4.24Å; I760-W780 HydrophobicContact CG2-CG 4.38Å; I760-W780 HydrophobicContact CG2-CZ2 4.32Å; I760-V801 HydrophobicContact CD1-CG1 4.31Å; I760-V801 HydrophobicContact CD1-CG2 4.16Å
761	L	86.4	Confident	78.4	Confident	1 Å²	1	65 Å²	65	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.3	-176.9	-178.8	65.2	0	0	0	110	L749 A750 I751 G763 F773 Y782 L791	L749-L761 HydrophobicContact CD2-CD2 4.36Å; L749-L761 HydrophobicContact CG-CD2 4.48Å; A750-L761 WeakPolarHBondContact CA-O 3.41Å; I751-L761 HydrophobicContact CB-CB 4.1Å; I751-L761 PolarHBondContact N-O 2.85Å; I751-L761 PolarHBondContact O-N 3.43Å; L761-G763 PolarHBondContact O-N 3.4Å; L761-F773 HydrophobicContact CB-CZ 4.28Å; L761-F773 HydrophobicContact CD1-CE1 4.07Å; L761-F773 HydrophobicContact CD1-CZ 4.06Å; L761-Y782 HydrophobicContact CD1-CD1 4.46Å; L761-Y782 HydrophobicContact CD1-CD2 4.37Å; L761-Y782 HydrophobicContact CD1-CG 4.24Å; L761-Y782 HydrophobicContact CD2-CD2 3.68Å; L761-Y782 HydrophobicContact CD2-CE2 3.87Å; L761-Y782 HydrophobicContact CD2-CG 4.32Å; L761-L791 HydrophobicContact CD2-CD1 4.18Å; L761-L791 HydrophobicContact CD2-CD2 3.97Å
762	N	81.6	Confident	78.3	Confident	7 Å²	7	68.4 Å²	68.4	4%	0.037	37%	0.374	C	S	.	.	S	Bend	trans	52.3	44.5	167.9	-58.4	-14.9	0	0	0	114.4	Y724 I748 L749 A750 R771	Y724-N762 PolarHBondContact OH-O 3.28Å; I748-N762 HydrophobicContact CG2-CB 4.12Å; I748-N762 WeakPolarHBondContact CG2-ND2 3.17Å; L749-N762 WeakPolarHBondContact O-CB 3.24Å; L749-N762 PolarHBondContact O-ND2 3.03Å; A750-N762 HydrophobicContact CB-CB 4.19Å; N762-R771 PolarHBondContact OD1-NH2 2.67Å; N762-R771 VanDerWaalsContact OD1-NH2 3.13Å
763	G	69.4	Low	78.3	Confident	14 Å²	14	67.2 Å²	67.2	14%	0.144	37%	0.368	C	S	.	.	S	Bend	trans	-90.7	-19.3	-179.4	0	0	0	0	0	116.3	Y724 L761	Y724-G763 VanDerWaalsContact OH-C 3.29Å; Y724-G763 WeakPolarHBondContact OH-CA 3.48Å; Y724-G763 PolarHBondContact OH-O 3Å; L761-G763 PolarHBondContact O-N 3.4Å
764	K	61.8	Low	78.4	Confident	189 Å²	189	68.2 Å²	68.2	82%	0.822	37%	0.374	S	S	*	.	S	Bend	trans	-144.7	55.2	-176.4	-72.7	-168.8	175.2	-175.5	0	113	D766	K764-D766 PolarHBondContact O-N 3.44Å
765	A	56.2	Low	78.4	Confident	107 Å²	107	65.6 Å²	65.6	88%	0.884	36%	0.362	S	S	*	.			trans	54.8	36.1	174.1	0	0	0	0	0	114.6
766	D	63.6	Low	78.5	Confident	66 Å²	66	64.5 Å²	64.5	35%	0.353	35%	0.348	S	S	.	.			trans	-55.7	156.3	170	-66.1	27.9	0	0	0	111.8	K764 L768 R771	K764-D766 PolarHBondContact O-N 3.44Å; D766-L768 PolarHBondContact O-N 3.34Å; D766-R771 IonicContact OD2-CZ 2.61Å; D766-R771 IonicContact OD2-NH1 2.62Å; D766-R771 PolarHBondContact OD2-NH1 3.06Å; D766-R771 IonicContact OD2-NH2 2.95Å; D766-R771 PolarHBondContact OD2-NH2 3.08Å
767	E	64.1	Low	78.6	Confident	132 Å²	132	60.6 Å²	60.6	62%	0.617	32%	0.324	S	S	*	.			trans	-63.1	130.8	173.6	-63.6	-167.9	113.8	0	0	112.5	K769	E767-K769 VanDerWaalsContact C-N 3.31Å; E767-K769 HydrophobicContact CB-CD 4.25Å; E767-K769 HydrophobicContact CB-CG 4.33Å; E767-K769 PolarHBondContact O-N 3.14Å; E767-K769 WeakPolarHBondContact OE1-CE 3.4Å; E767-K769 IonicContact OE1-NZ 3.42Å; E767-K769 PolarHBondContact OE1-NZ 2.96Å; E767-K769 WeakPolarHBondContact OE2-CE 3.35Å; E767-K769 IonicContact OE2-NZ 3.49Å; E767-K769 PolarHBondContact OE2-NZ 3.37Å
768	L	73.1	Confident	79	Confident	80 Å²	80	59.4 Å²	59.4	42%	0.419	31%	0.31	S	S	.	.			trans	-76.3	79.2	174.2	-65.4	170.9	0	0	0	110.7	I748 D766	I748-L768 HydrophobicContact CB-CD2 4.46Å; I748-L768 HydrophobicContact CD1-CD1 3.79Å; I748-L768 HydrophobicContact CD1-CD2 4.15Å; I748-L768 HydrophobicContact CG1-CD1 4.07Å; I748-L768 HydrophobicContact CG1-CD2 3.99Å; I748-L768 HydrophobicContact CG2-CD2 3.66Å; D766-L768 PolarHBondContact O-N 3.34Å
769	K	80.8	Confident	79.3	Confident	116 Å²	116	56.3 Å²	56.3	50%	0.504	30%	0.296	S	S	.	.			trans	-132	145.2	176.5	-64.8	175.1	-174	165	0	110.1	E767 R771 Y782	E767-K769 VanDerWaalsContact C-N 3.31Å; E767-K769 HydrophobicContact CB-CD 4.25Å; E767-K769 HydrophobicContact CB-CG 4.33Å; E767-K769 PolarHBondContact O-N 3.14Å; E767-K769 WeakPolarHBondContact OE1-CE 3.4Å; E767-K769 IonicContact OE1-NZ 3.42Å; E767-K769 PolarHBondContact OE1-NZ 2.96Å; E767-K769 WeakPolarHBondContact OE2-CE 3.35Å; E767-K769 IonicContact OE2-NZ 3.49Å; E767-K769 PolarHBondContact OE2-NZ 3.37Å; K769-R771 PolarHBondContact O-N 3.43Å; K769-Y782 WeakPolarHBondContact O-CD1 3.35Å
770	S	85.8	Confident	79.6	Confident	67 Å²	67	53 Å²	53	47%	0.469	28%	0.283	S	S	.	.			trans	-59.1	125.4	171	-59.5	0	0	0	0	109.7	Y782 L784	S770-Y782 CarbonylContact C-O 3.42Å; S770-Y782 VanDerWaalsContact CA-O 3.28Å; S770-Y782 WeakPolarHBondContact CA-O 3.25Å; S770-L784 PolarHBondContact OG-N 3.43Å; S770-L784 PolarHBondContact OG-O 2.97Å
771	R	86.3	Confident	79.9	Confident	79 Å²	79	54.5 Å²	54.5	30%	0.298	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	137.8	-176.1	55.2	178.7	168.9	167.8	-2.4	111.5	N762 D766 K769 F773 Y782	N762-R771 PolarHBondContact OD1-NH2 2.67Å; N762-R771 VanDerWaalsContact OD1-NH2 3.13Å; D766-R771 IonicContact OD2-CZ 2.61Å; D766-R771 IonicContact OD2-NH1 2.62Å; D766-R771 PolarHBondContact OD2-NH1 3.06Å; D766-R771 IonicContact OD2-NH2 2.95Å; D766-R771 PolarHBondContact OD2-NH2 3.08Å; K769-R771 PolarHBondContact O-N 3.43Å; R771-F773 HydrophobicContact CG-CD1 4.09Å; R771-Y782 HydrophobicContact CG-CD1 4.35Å; R771-Y782 PolarHBondContact N-O 3.42Å; R771-Y782 WeakPolarHBondContact O-CB 3.11Å; R771-Y782 PolarHBondContact O-N 3.31Å
772	S	87.7	Confident	80.1	Confident	72 Å²	72	54.5 Å²	54.5	50%	0.503	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.6	157.9	56.7	0	0	0	0	109	W780 H781	S772-W780 VanDerWaalsContact CA-O 3.31Å; S772-W780 WeakPolarHBondContact CA-O 3.27Å; S772-H781 VanDerWaalsContact CB-CE1 3.41Å; S772-H781 WeakPolarHBondContact CB-CE1 3.28Å
773	F	87.8	Confident	80.5	Confident	37 Å²	37	56.9 Å²	56.9	16%	0.162	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	159.9	178.4	64.6	-81.3	0	0	0	111.1	I760 L761 R771 E775 W780	I760-F773 HydrophobicContact CG2-CE2 3.82Å; I760-F773 HydrophobicContact CG2-CZ 4.2Å; I760-F773 WeakPolarHBondContact O-CE2 3.38Å; L761-F773 HydrophobicContact CB-CZ 4.28Å; L761-F773 HydrophobicContact CD1-CE1 4.07Å; L761-F773 HydrophobicContact CD1-CZ 4.06Å; R771-F773 HydrophobicContact CG-CD1 4.09Å; F773-E775 HydrophobicContact CD2-CB 4.05Å; F773-E775 HydrophobicContact CE2-CB 4.05Å; F773-W780 HydrophobicContact CD1-CB 4.14Å; F773-W780 HydrophobicContact CD2-CB 4.32Å; F773-W780 HydrophobicContact CE1-CB 3.71Å; F773-W780 HydrophobicContact CE2-CB 3.9Å; F773-W780 HydrophobicContact CE2-CG 4.07Å; F773-W780 HydrophobicContact CG-CB 4.43Å; F773-W780 HydrophobicContact CZ-CB 3.57Å; F773-W780 HydrophobicContact CZ-CG 4.03Å; F773-W780 PolarHBondContact N-O 2.8Å; F773-W780 PolarHBondContact O-N 2.96Å
774	I	88.6	Confident	81.3	Confident	21 Å²	21	58.4 Å²	58.4	11%	0.108	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.7	-175.3	-68.8	155.1	0	0	0	108.4	P631 E633 Y668	P631-I774 HydrophobicContact CB-CG2 3.97Å; P631-I774 HydrophobicContact CG-CB 4.06Å; P631-I774 HydrophobicContact CG-CG2 3.65Å; E633-I774 HydrophobicContact CB-CD1 4.1Å; Y668-I774 HydrophobicContact CD1-CG2 3.8Å; Y668-I774 HydrophobicContact CD2-CD1 3.63Å; Y668-I774 HydrophobicContact CD2-CG1 3.9Å; Y668-I774 HydrophobicContact CD2-CG2 4.24Å; Y668-I774 HydrophobicContact CE1-CG2 3.35Å; Y668-I774 HydrophobicContact CE2-CD1 3.56Å; Y668-I774 HydrophobicContact CE2-CG1 4.09Å; Y668-I774 HydrophobicContact CE2-CG2 3.88Å; Y668-I774 HydrophobicContact CG-CD1 4.39Å; Y668-I774 HydrophobicContact CG-CG1 4.17Å; Y668-I774 HydrophobicContact CG-CG2 4.21Å
775	E	84.4	Confident	82.3	Confident	44 Å²	44	56.5 Å²	56.5	21%	0.206	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	142.3	-177.3	178.9	59.6	-153.8	0	0	110.3	H758 I760 F773 G777 V778 W780	H758-E775 IonicContact CE1-OE1 3.53Å; H758-E775 PolarHBondContact CE1-OE1 3.04Å; H758-E775 IonicContact ND1-OE1 3.66Å; H758-E775 PolarHBondContact ND1-OE1 3.08Å; I760-E775 HydrophobicContact CB-CG 4.08Å; I760-E775 HydrophobicContact CG1-CG 4.01Å; I760-E775 HydrophobicContact CG2-CB 4.09Å; I760-E775 HydrophobicContact CG2-CG 3.77Å; F773-E775 HydrophobicContact CD2-CB 4.05Å; F773-E775 HydrophobicContact CE2-CB 4.05Å; E775-G777 PolarHBondContact O-N 2.99Å; E775-G777 VanDerWaalsContact O-N 3.1Å; E775-V778 PolarHBondContact N-O 2.86Å; E775-V778 PolarHBondContact O-N 3.4Å; E775-W780 PolarHBondContact O-NE1 3.23Å
776	L	79	Confident	83.4	Confident	30 Å²	30	54.5 Å²	54.5	16%	0.157	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	21.8	-162.6	-51.7	-170.5	0	0	0	114.2	F605 N753 I760 D799 V801	F605-L776 WeakPolarHBondContact CE1-O 3.23Å; N753-L776 HydrophobicContact CB-CD1 4.02Å; N753-L776 HydrophobicContact CB-CD2 4.39Å; N753-L776 VanDerWaalsContact ND2-CD1 3.28Å; N753-L776 WeakPolarHBondContact ND2-CD1 3.02Å; N753-L776 VanDerWaalsContact ND2-CD2 3.25Å; N753-L776 WeakPolarHBondContact ND2-CD2 3.21Å; I760-L776 HydrophobicContact CD1-CD1 3.47Å; I760-L776 VanDerWaalsContact CD1-CD1 3.47Å; I760-L776 HydrophobicContact CD1-CG 3.83Å; I760-L776 HydrophobicContact CG1-CD1 4.34Å; I760-L776 HydrophobicContact CG1-CG 4.32Å; L776-D799 HydrophobicContact CD1-CB 4.4Å; L776-V801 HydrophobicContact CD1-CG2 4.33Å
777	G	80.6	Confident	84	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	34.7	-179.8	0	0	0	0	0	115	R665 E775	R665-G777 PolarHBondContact NH1-O 3.45Å; R665-G777 PolarHBondContact NH2-O 2.89Å; E775-G777 PolarHBondContact O-N 2.99Å; E775-G777 VanDerWaalsContact O-N 3.1Å
778	V	87.6	Confident	84.9	Confident	7 Å²	7	51.6 Å²	51.6	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.3	157.5	-61	0	0	0	0	108.8	E775 W780 T793 L797	E775-V778 PolarHBondContact N-O 2.86Å; E775-V778 PolarHBondContact O-N 3.4Å; V778-W780 HydrophobicContact CG2-CD2 4.44Å; V778-W780 HydrophobicContact CG2-CZ2 4.01Å; V778-T793 HydrophobicContact CG2-CG2 4.35Å; V778-T793 WeakPolarHBondContact CG2-OG1 3.44Å; V778-L797 HydrophobicContact CG2-CD2 4.24Å
779	E	90.4	Very high	85.7	Confident	28 Å²	28	48.3 Å²	48.3	13%	0.131	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131	171	-166.9	-174.4	-160.9	0	0	109.6	K669 H781 T793	K669-E779 WeakPolarHBondContact CE-OE2 3.12Å; K669-E779 IonicContact NZ-OE2 2.76Å; K669-E779 PolarHBondContact NZ-OE2 2.94Å; E779-H781 WeakPolarHBondContact CG-NE2 3.41Å; E779-H781 IonicContact OE1-CE1 3.18Å; E779-H781 PolarHBondContact OE1-CE1 3.47Å; E779-H781 IonicContact OE1-NE2 2.66Å; E779-H781 PolarHBondContact OE1-NE2 2.96Å; E779-H781 VanDerWaalsContact OE1-NE2 3.16Å; E779-H781 IonicContact OE2-CD2 3.68Å; E779-H781 IonicContact OE2-CE1 2.68Å; E779-H781 PolarHBondContact OE2-CE1 3.02Å; E779-H781 IonicContact OE2-NE2 3.13Å; E779-H781 PolarHBondContact OE2-NE2 3.03Å; E779-T793 WeakPolarHBondContact O-CB 3.13Å; E779-T793 PolarHBondContact O-OG1 2.9Å
780	W	90.3	Very high	86.1	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.6	175.3	-66	90.6	0	0	0	109.5	I751 I760 S772 F773 E775 V778 L791 T793 L797 V801	I751-W780 HydrophobicContact CD1-CZ3 4.39Å; I760-W780 HydrophobicContact CD1-CZ2 4.08Å; I760-W780 HydrophobicContact CG2-CD2 4.24Å; I760-W780 HydrophobicContact CG2-CG 4.38Å; I760-W780 HydrophobicContact CG2-CZ2 4.32Å; S772-W780 VanDerWaalsContact CA-O 3.31Å; S772-W780 WeakPolarHBondContact CA-O 3.27Å; F773-W780 HydrophobicContact CD1-CB 4.14Å; F773-W780 HydrophobicContact CD2-CB 4.32Å; F773-W780 HydrophobicContact CE1-CB 3.71Å; F773-W780 HydrophobicContact CE2-CB 3.9Å; F773-W780 HydrophobicContact CE2-CG 4.07Å; F773-W780 HydrophobicContact CG-CB 4.43Å; F773-W780 HydrophobicContact CZ-CB 3.57Å; F773-W780 HydrophobicContact CZ-CG 4.03Å; F773-W780 PolarHBondContact N-O 2.8Å; F773-W780 PolarHBondContact O-N 2.96Å; E775-W780 PolarHBondContact O-NE1 3.23Å; V778-W780 HydrophobicContact CG2-CD2 4.44Å; V778-W780 HydrophobicContact CG2-CZ2 4.01Å; W780-L791 HydrophobicContact CB-CD1 4.33Å; W780-L791 HydrophobicContact CE3-CD1 4.11Å; W780-L791 HydrophobicContact CE3-CD2 3.82Å; W780-L791 HydrophobicContact CE3-CG 3.93Å; W780-L791 HydrophobicContact CZ3-CD2 3.95Å; W780-L791 HydrophobicContact CZ3-CG 4.37Å; W780-T793 HydrophobicContact CD2-CG2 4.16Å; W780-T793 HydrophobicContact CE3-CG2 3.73Å; W780-T793 HydrophobicContact CH2-CG2 3.74Å; W780-T793 HydrophobicContact CZ2-CG2 4.15Å; W780-T793 HydrophobicContact CZ3-CG2 3.51Å; W780-L797 HydrophobicContact CH2-CD2 3.91Å; W780-L797 HydrophobicContact CZ2-CD2 3.79Å; W780-V801 HydrophobicContact CH2-CG1 4.43Å
781	H	92.1	Very high	86.4	Confident	45 Å²	45	40.7 Å²	40.7	21%	0.208	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	101.2	175.8	-71	-66.9	0	0	0	109.8	K669 S772 E779 L791 H792	K669-H781 PolarHBondContact NZ-NE2 2.94Å; S772-H781 VanDerWaalsContact CB-CE1 3.41Å; S772-H781 WeakPolarHBondContact CB-CE1 3.28Å; E779-H781 WeakPolarHBondContact CG-NE2 3.41Å; E779-H781 IonicContact OE1-CE1 3.18Å; E779-H781 PolarHBondContact OE1-CE1 3.47Å; E779-H781 IonicContact OE1-NE2 2.66Å; E779-H781 PolarHBondContact OE1-NE2 2.96Å; E779-H781 VanDerWaalsContact OE1-NE2 3.16Å; E779-H781 IonicContact OE2-CD2 3.68Å; E779-H781 IonicContact OE2-CE1 2.68Å; E779-H781 PolarHBondContact OE2-CE1 3.02Å; E779-H781 IonicContact OE2-NE2 3.13Å; E779-H781 PolarHBondContact OE2-NE2 3.03Å; H781-L791 WeakPolarHBondContact O-CA 3.33Å; H781-H792 WeakPolarHBondContact CB-CE1 3.36Å; H781-H792 AromaticContact CD2-NE2 3.96Å; H781-H792 AromaticContact CG-NE2 3.88Å; H781-H792 PolarHBondContact N-O 2.8Å; H781-H792 PolarHBondContact O-N 2.89Å; H781-H792 PolarHBondContact O-ND1 2.68Å
782	Y	90.6	Very high	86.7	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.5	174.9	179.2	-112	0	0	0	110.2	L761 K769 S770 R771 L784 E789 L791	L761-Y782 HydrophobicContact CD1-CD1 4.46Å; L761-Y782 HydrophobicContact CD1-CD2 4.37Å; L761-Y782 HydrophobicContact CD1-CG 4.24Å; L761-Y782 HydrophobicContact CD2-CD2 3.68Å; L761-Y782 HydrophobicContact CD2-CE2 3.87Å; L761-Y782 HydrophobicContact CD2-CG 4.32Å; K769-Y782 WeakPolarHBondContact O-CD1 3.35Å; S770-Y782 CarbonylContact C-O 3.42Å; S770-Y782 VanDerWaalsContact CA-O 3.28Å; S770-Y782 WeakPolarHBondContact CA-O 3.25Å; R771-Y782 HydrophobicContact CG-CD1 4.35Å; R771-Y782 PolarHBondContact N-O 3.42Å; R771-Y782 WeakPolarHBondContact O-CB 3.11Å; R771-Y782 PolarHBondContact O-N 3.31Å; Y782-L784 HydrophobicContact CE1-CD1 3.63Å; Y782-L784 HydrophobicContact CE1-CG 4.11Å; Y782-E789 HydrophobicContact CE2-CB 4.47Å; Y782-E789 HydrophobicContact CE2-CG 4.36Å; Y782-E789 PolarHBondContact OH-OE1 2.76Å; Y782-E789 PolarHBondContact OH-OE2 2.84Å; Y782-L791 HydrophobicContact CD2-CB 4.5Å; Y782-L791 HydrophobicContact CD2-CD1 4.16Å; Y782-L791 HydrophobicContact CG-CD1 4.46Å
783	V	90.5	Very high	86.9	Confident	57 Å²	57	36.9 Å²	36.9	35%	0.345	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.6	-176.1	-175.5	0	0	0	0	109.4	E785 T790	V783-E785 HydrophobicContact CG1-CB 4.45Å; V783-T790 PolarHBondContact N-O 3.23Å; V783-T790 PolarHBondContact O-N 2.81Å
784	L	86	Confident	86.9	Confident	45 Å²	45	38.8 Å²	38.8	24%	0.236	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119	160.7	-74.4	142.2	0	0	0	107.8	S770 Y782 E789	S770-L784 PolarHBondContact OG-N 3.43Å; S770-L784 PolarHBondContact OG-O 2.97Å; Y782-L784 HydrophobicContact CE1-CD1 3.63Å; Y782-L784 HydrophobicContact CE1-CG 4.11Å; L784-E789 HydrophobicContact CD2-CG 3.56Å; L784-E789 HydrophobicContact CG-CG 4.25Å
785	E	83.8	Confident	86.6	Confident	149 Å²	149	38.6 Å²	38.6	70%	0.696	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126	97.8	174.4	-171.5	175.6	-158.9	0	0	108.6	V783 V788	V783-E785 HydrophobicContact CG1-CB 4.45Å; E785-V788 PolarHBondContact N-O 3.3Å; E785-V788 PolarHBondContact O-N 3.5Å
786	G	78.2	Confident	86.8	Confident	66 Å²	66	37.7 Å²	37.7	68%	0.68	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	-139.5	-158.8	0	0	0	0	0	110.4	V788	G786-V788 VanDerWaalsContact C-N 3.33Å
787	D	76.3	Confident	87.2	Confident	112 Å²	112	36.5 Å²	36.5	60%	0.599	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	34.1	171.8	-56.6	-81	0	0	0	112.2	A744 D745	A744-D787 CarbonylContact C-O 2.91Å; A744-D787 WeakPolarHBondContact CA-O 3.47Å; A744-D787 HydrophobicContact CB-CB 4.24Å; D745-D787 PolarHBondContact N-O 3.3Å
788	V	84.1	Confident	87.3	Confident	24 Å²	24	40.5 Å²	40.5	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.5	175.2	178.2	0	0	0	0	109.5	E741 A744 E785 G786	E741-V788 HydrophobicContact CB-CG1 4.19Å; A744-V788 HydrophobicContact CB-CG2 3.81Å; E785-V788 PolarHBondContact N-O 3.3Å; E785-V788 PolarHBondContact O-N 3.5Å; G786-V788 VanDerWaalsContact C-N 3.33Å
789	E	87.9	Confident	87.1	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.056	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.9	176.8	-70.1	-170.8	-176	0	0	112.3	E741 L749 Y782 L784	E741-E789 WeakPolarHBondContact CB-O 3.26Å; E741-E789 PolarHBondContact N-O 3.48Å; E741-E789 PolarHBondContact OE2-N 3.13Å; L749-E789 WeakPolarHBondContact CA-OE2 3.43Å; L749-E789 WeakPolarHBondContact CB-OE2 3.37Å; L749-E789 PolarHBondContact N-OE2 2.97Å; Y782-E789 HydrophobicContact CE2-CB 4.47Å; Y782-E789 HydrophobicContact CE2-CG 4.36Å; Y782-E789 PolarHBondContact OH-OE1 2.76Å; Y782-E789 PolarHBondContact OH-OE2 2.84Å; L784-E789 HydrophobicContact CD2-CG 3.56Å; L784-E789 HydrophobicContact CG-CG 4.25Å
790	T	90.1	Very high	86.8	Confident	22 Å²	22	41.4 Å²	41.4	14%	0.135	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.5	173.5	-63.4	0	0	0	0	110.6	R740 V783	R740-T790 HydrophobicContact CB-CG2 4.28Å; R740-T790 WeakPolarHBondContact CG-OG1 3.41Å; V783-T790 PolarHBondContact N-O 3.23Å; V783-T790 PolarHBondContact O-N 2.81Å
791	L	91.8	Very high	86.8	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.4	174	-176.6	71.9	0	0	0	109.9	I739 L749 I751 L761 W780 H781 Y782	I739-L791 PolarHBondContact N-O 3.3Å; I739-L791 PolarHBondContact O-N 2.9Å; I739-L791 VanDerWaalsContact O-O 3.06Å; L749-L791 HydrophobicContact CD2-CB 3.6Å; L749-L791 HydrophobicContact CD2-CD2 3.94Å; L749-L791 HydrophobicContact CD2-CG 4.43Å; I751-L791 HydrophobicContact CD1-CD2 3.28Å; I751-L791 HydrophobicContact CG1-CD2 3.89Å; L761-L791 HydrophobicContact CD2-CD1 4.18Å; L761-L791 HydrophobicContact CD2-CD2 3.97Å; W780-L791 HydrophobicContact CB-CD1 4.33Å; W780-L791 HydrophobicContact CE3-CD1 4.11Å; W780-L791 HydrophobicContact CE3-CD2 3.82Å; W780-L791 HydrophobicContact CE3-CG 3.93Å; W780-L791 HydrophobicContact CZ3-CD2 3.95Å; W780-L791 HydrophobicContact CZ3-CG 4.37Å; H781-L791 WeakPolarHBondContact O-CA 3.33Å; Y782-L791 HydrophobicContact CD2-CB 4.5Å; Y782-L791 HydrophobicContact CD2-CD1 4.16Å; Y782-L791 HydrophobicContact CG-CD1 4.46Å
792	H	93.1	Very high	86.7	Confident	67 Å²	67	39.8 Å²	39.8	31%	0.31	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.1	174.3	62.4	-72.3	0	0	0	114.1	V737 Q738 H781	V737-H792 CarbonylContact O-C 3.59Å; V737-H792 VanDerWaalsContact O-CA 3.23Å; V737-H792 WeakPolarHBondContact O-CA 3.27Å; Q738-H792 HydrophobicContact CB-CB 4.47Å; Q738-H792 HydrophobicContact CG-CB 4.44Å; H781-H792 WeakPolarHBondContact CB-CE1 3.36Å; H781-H792 AromaticContact CD2-NE2 3.96Å; H781-H792 AromaticContact CG-NE2 3.88Å; H781-H792 PolarHBondContact N-O 2.8Å; H781-H792 PolarHBondContact O-N 2.89Å; H781-H792 PolarHBondContact O-ND1 2.68Å
793	T	92.1	Very high	86.7	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	144	171.6	-175	0	0	0	0	110.4	H736 V737 V778 E779 W780 L797	H736-T793 CarbonylContact C-O 3.33Å; H736-T793 WeakPolarHBondContact CA-O 3.14Å; V737-T793 HydrophobicContact CB-CG2 4.03Å; V737-T793 PolarHBondContact N-O 2.64Å; V737-T793 PolarHBondContact O-N 3.22Å; V778-T793 HydrophobicContact CG2-CG2 4.35Å; V778-T793 WeakPolarHBondContact CG2-OG1 3.44Å; E779-T793 WeakPolarHBondContact O-CB 3.13Å; E779-T793 PolarHBondContact O-OG1 2.9Å; W780-T793 HydrophobicContact CD2-CG2 4.16Å; W780-T793 HydrophobicContact CE3-CG2 3.73Å; W780-T793 HydrophobicContact CH2-CG2 3.74Å; W780-T793 HydrophobicContact CZ2-CG2 4.15Å; W780-T793 HydrophobicContact CZ3-CG2 3.51Å; T793-L797 HydrophobicContact CG2-CD2 4.25Å
794	D	87.9	Confident	86.6	Confident	77 Å²	77	37.7 Å²	37.7	41%	0.412	22%	0.216	S	C	.	.			trans	-78	-21.5	-178.1	-65.5	-49.6	0	0	0	113	R735 H736	R735-D794 CarbonylContact C-O 3.58Å; R735-D794 WeakPolarHBondContact CA-O 3.44Å; H736-D794 IonicContact CD2-OD1 3.16Å; H736-D794 PolarHBondContact N-O 2.89Å
795	G	82.3	Confident	86.6	Confident	18 Å²	18	35.6 Å²	35.6	19%	0.186	21%	0.205	C	C	.	.			trans	72.2	-163.5	179.3	0	0	0	0	0	113.9
796	P	87.9	Confident	86.6	Confident	25 Å²	25	30.7 Å²	30.7	16%	0.162	18%	0.183	C	C	.	.			cis	-72.1	148.5	1.6	30.4	-34.8	0	0	0	113.1	A734 R735 H798	A734-P796 WeakPolarHBondContact O-CA 3.28Å; R735-P796 HydrophobicContact CG-CB 3.91Å; P796-H798 PolarHBondContact O-N 3.23Å
797	L	87.2	Confident	86.6	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.026	16%	0.155	C	C	.	.			trans	-74.9	122.4	169	-62.3	-178.1	0	0	0	110.5	V730 P732 G733 A734 V737 V778 W780 T793 V801	V730-L797 HydrophobicContact CB-CD1 4.04Å; V730-L797 HydrophobicContact CG1-CD1 3.66Å; P732-L797 CarbonylContact C-O 3.06Å; P732-L797 WeakPolarHBondContact CA-O 2.96Å; G733-L797 PolarHBondContact N-O 2.93Å; A734-L797 HydrophobicContact CB-CD1 4.45Å; A734-L797 PolarHBondContact O-N 3.06Å; V737-L797 HydrophobicContact CG2-CD1 4.09Å; V737-L797 HydrophobicContact CG2-CG 4.34Å; V778-L797 HydrophobicContact CG2-CD2 4.24Å; W780-L797 HydrophobicContact CH2-CD2 3.91Å; W780-L797 HydrophobicContact CZ2-CD2 3.79Å; T793-L797 HydrophobicContact CG2-CD2 4.25Å; L797-V801 HydrophobicContact CD1-CB 4.17Å; L797-V801 HydrophobicContact CD1-CG2 3.9Å; L797-V801 HydrophobicContact CD2-CG2 4.35Å
798	H	82.4	Confident	86.4	Confident	85 Å²	85	29 Å²	29	39%	0.394	15%	0.153	S	C	.	.	S	Bend	trans	-75.5	-44.6	175.5	-71	-85.3	0	0	0	112.5	F605 P732 P796	F605-H798 HydrophobicContact CB-CB 3.64Å; F605-H798 HydrophobicContact CD1-CB 3.89Å; F605-H798 AromaticContact CD1-CD2 3.4Å; F605-H798 VanDerWaalsContact CD1-CD2 3.4Å; F605-H798 WeakPolarHBondContact CD1-CD2 3.2Å; F605-H798 AromaticContact CD1-CG 3.6Å; F605-H798 AromaticContact CD2-CD2 3.94Å; F605-H798 AromaticContact CD2-CE1 3.69Å; F605-H798 AromaticContact CD2-CG 3.82Å; F605-H798 AromaticContact CD2-ND1 3.66Å; F605-H798 AromaticContact CD2-NE2 3.88Å; F605-H798 AromaticContact CE1-CD2 3.39Å; F605-H798 WeakPolarHBondContact CE1-CD2 3.47Å; F605-H798 AromaticContact CE1-NE2 3.71Å; F605-H798 AromaticContact CE2-CD2 3.93Å; F605-H798 AromaticContact CE2-CE1 3.64Å; F605-H798 AromaticContact CE2-NE2 3.54Å; F605-H798 HydrophobicContact CG-CB 3.78Å; F605-H798 AromaticContact CG-CD2 3.68Å; F605-H798 AromaticContact CG-CG 3.46Å; F605-H798 VanDerWaalsContact CG-CG 3.46Å; F605-H798 AromaticContact CG-ND1 3.77Å; F605-H798 AromaticContact CZ-CD2 3.67Å; F605-H798 AromaticContact CZ-NE2 3.44Å; F605-H798 WeakPolarHBondContact CZ-NE2 3.25Å; P732-H798 WeakPolarHBondContact CB-O 3.42Å; P796-H798 PolarHBondContact O-N 3.23Å
799	D	83.9	Confident	85.8	Confident	22 Å²	22	31.5 Å²	31.5	12%	0.118	17%	0.166	C	C	.	.	S	Bend	trans	-100	152.5	175.5	-82.6	-33	0	0	0	112	N753 L776	N753-D799 PolarHBondContact ND2-OD2 2.87Å; L776-D799 HydrophobicContact CD1-CB 4.4Å
800	P	84.9	Confident	84.9	Confident	32 Å²	32	34.7 Å²	34.7	21%	0.208	18%	0.183	C	C	.	.			trans	-62.1	132.9	166.1	20.8	-28.1	0	0	0	112.3	V730 Q754	V730-P800 WeakPolarHBondContact O-CA 3.13Å; Q754-P800 HydrophobicContact CB-CB 4.19Å; Q754-P800 HydrophobicContact CB-CG 4.13Å; Q754-P800 VanDerWaalsContact CB-O 3.25Å; Q754-P800 WeakPolarHBondContact CB-O 3.44Å; Q754-P800 PolarHBondContact N-O 3.25Å
801	V	90.3	Very high	83.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.2	-175.2	174.3	0	0	0	0	111	H729 V730 I751 I760 L776 W780 L797	H729-V801 CarbonylContact C-O 3.56Å; H729-V801 VanDerWaalsContact CA-O 3.25Å; H729-V801 WeakPolarHBondContact CA-O 3Å; V730-V801 PolarHBondContact N-O 2.94Å; V730-V801 PolarHBondContact O-N 2.96Å; I751-V801 HydrophobicContact CD1-CG1 4.49Å; I751-V801 HydrophobicContact CG2-CG1 3.19Å; I760-V801 HydrophobicContact CD1-CG1 4.31Å; I760-V801 HydrophobicContact CD1-CG2 4.16Å; L776-V801 HydrophobicContact CD1-CG2 4.33Å; W780-V801 HydrophobicContact CH2-CG1 4.43Å; L797-V801 HydrophobicContact CD1-CB 4.17Å; L797-V801 HydrophobicContact CD1-CG2 3.9Å; L797-V801 HydrophobicContact CD2-CG2 4.35Å
802	V	90.1	Very high	82.7	Confident	11 Å²	11	43.1 Å²	43.1	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.6	176.7	-174.4	0	0	0	0	110.4	K726 K752 Q754 L804	K726-V802 HydrophobicContact CD-CG1 3.67Å; K726-V802 HydrophobicContact CG-CG1 3.83Å; K752-V802 PolarHBondContact N-O 3.24Å; K752-V802 PolarHBondContact O-N 3.32Å; Q754-V802 HydrophobicContact CB-CG2 3.78Å; Q754-V802 HydrophobicContact CG-CG2 3.82Å; V802-L804 HydrophobicContact CG1-CD2 3.64Å; V802-L804 HydrophobicContact CG1-CG 4.21Å
803	V	90.3	Very high	81.9	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.4	174.1	-173.2	0	0	0	0	109.5	M727 F728 V730 I739 L749 I751 L816	M727-V803 PolarHBondContact N-O 2.79Å; F728-V803 HydrophobicContact CD2-CB 4.2Å; F728-V803 HydrophobicContact CD2-CG2 3.91Å; F728-V803 HydrophobicContact CE1-CB 4.41Å; F728-V803 HydrophobicContact CE1-CG1 4.26Å; F728-V803 HydrophobicContact CE2-CB 3.95Å; F728-V803 HydrophobicContact CE2-CG1 4.33Å; F728-V803 HydrophobicContact CE2-CG2 3.47Å; F728-V803 VanDerWaalsContact CE2-CG2 3.47Å; F728-V803 HydrophobicContact CZ-CB 4.03Å; F728-V803 HydrophobicContact CZ-CG1 3.93Å; F728-V803 HydrophobicContact CZ-CG2 3.93Å; F728-V803 PolarHBondContact O-N 3.44Å; V730-V803 HydrophobicContact CG2-CG2 4.24Å; I739-V803 HydrophobicContact CD1-CG1 4.27Å; I739-V803 HydrophobicContact CD1-CG2 3.58Å; L749-V803 HydrophobicContact CD1-CG1 3.75Å; I751-V803 HydrophobicContact CD1-CG2 4.18Å; V803-L816 HydrophobicContact CG1-CD1 3.98Å
804	L	88.1	Confident	81.1	Confident	14 Å²	14	47.9 Å²	47.9	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	160.1	-179.5	-49.4	171	0	0	0	109	Y724 L725 K726 A750 K752 Y759 V802	Y724-L804 HydrophobicContact CD1-CB 4.23Å; Y724-L804 HydrophobicContact CD1-CD1 3.96Å; Y724-L804 HydrophobicContact CG-CD1 4.36Å; L725-L804 CarbonylContact O-C 3.18Å; L725-L804 WeakPolarHBondContact O-CA 3.23Å; K726-L804 HydrophobicContact CB-CD2 3.82Å; K726-L804 HydrophobicContact CG-CD2 4.25Å; A750-L804 HydrophobicContact CB-CB 4.21Å; A750-L804 PolarHBondContact N-O 2.91Å; A750-L804 CarbonylContact O-C 3.4Å; A750-L804 WeakPolarHBondContact O-CA 3.42Å; A750-L804 VanDerWaalsContact O-CB 3.3Å; A750-L804 WeakPolarHBondContact O-CB 3.04Å; A750-L804 PolarHBondContact O-N 2.98Å; K752-L804 HydrophobicContact CB-CD1 4.03Å; K752-L804 HydrophobicContact CD-CD1 4.47Å; Y759-L804 HydrophobicContact CD1-CD1 4.46Å; Y759-L804 HydrophobicContact CE1-CD1 3.71Å; V802-L804 HydrophobicContact CG1-CD2 3.64Å; V802-L804 HydrophobicContact CG1-CG 4.21Å
805	I	86.9	Confident	81	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.4	167.2	55.5	172.1	0	0	0	109.9	Y724 L725 M727 I748 L749 S814 L816	Y724-I805 CarbonylContact C-O 3.55Å; Y724-I805 WeakPolarHBondContact CA-O 3.36Å; L725-I805 HydrophobicContact CB-CD1 4.46Å; L725-I805 HydrophobicContact CB-CG1 3.89Å; L725-I805 HydrophobicContact CD2-CD1 4.19Å; L725-I805 HydrophobicContact CD2-CG1 4.49Å; L725-I805 PolarHBondContact N-O 2.77Å; L725-I805 PolarHBondContact O-N 2.81Å; M727-I805 HydrophobicContact CE-CD1 3.83Å; M727-I805 HydrophobicContact CG-CD1 4.11Å; M727-I805 HydrophobicContact CG-CG1 3.97Å; M727-I805 HydrophobicContact CG-CG2 4.13Å; M727-I805 HydrophobicContact SD-CD1 3.67Å; M727-I805 HydrophobicContact SD-CG1 4.1Å; I748-I805 CarbonylContact O-C 3.54Å; I748-I805 VanDerWaalsContact O-CA 3.31Å; I748-I805 WeakPolarHBondContact O-CA 3.36Å; L749-I805 HydrophobicContact CD1-CG2 4.25Å; I805-S814 WeakPolarHBondContact CD1-OG 3.42Å; I805-L816 HydrophobicContact CG2-CD1 3.8Å; I805-L816 HydrophobicContact CG2-CG 4.42Å
806	I	83	Confident	81.2	Confident	45 Å²	45	44.6 Å²	44.6	23%	0.231	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	99	169.8	-43	172	0	0	0	106.2	Y724 I748 A750	Y724-I806 HydrophobicContact CD1-CD1 4.11Å; Y724-I806 HydrophobicContact CD1-CG1 3.69Å; Y724-I806 HydrophobicContact CE1-CD1 3.53Å; Y724-I806 HydrophobicContact CE1-CG1 3.66Å; Y724-I806 HydrophobicContact CG-CG1 4.44Å; I748-I806 HydrophobicContact CB-CB 4.24Å; I748-I806 HydrophobicContact CG2-CD1 4.45Å; I748-I806 PolarHBondContact N-O 2.81Å; I748-I806 PolarHBondContact O-N 3.48Å; A750-I806 HydrophobicContact CB-CG1 4.41Å
807	P	77.3	Confident	81.2	Confident	13 Å²	13	47.3 Å²	47.3	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.6	179.1	33.7	-35.9	0	0	0	109.8	P719 D809	P719-P807 HydrophobicContact CB-CG 3.95Å; P719-P807 HydrophobicContact CG-CB 3.71Å; P719-P807 HydrophobicContact CG-CG 3.65Å; P807-D809 VanDerWaalsContact C-N 3.33Å; P807-D809 WeakPolarHBondContact CB-O 3.33Å
808	K	72.6	Confident	81.4	Confident	129 Å²	129	48.7 Å²	48.7	56%	0.561	23%	0.234	S	C	*	.	S	Bend	trans	-77.7	-20.6	176.9	-60.7	171.5	-164.2	158.7	0	112.6	P746	P746-K808 HydrophobicContact CB-CD 4.1Å; P746-K808 WeakPolarHBondContact O-CB 3.49Å; P746-K808 WeakPolarHBondContact O-CD 3.21Å; P746-K808 WeakPolarHBondContact O-CG 3.12Å; P746-K808 PolarHBondContact O-N 3.39Å; P746-K808 VanDerWaalsContact O-N 3.16Å
809	D	72	Confident	81.8	Confident	78 Å²	78	49 Å²	49	42%	0.417	23%	0.234	S	C	.	.	S	Bend	trans	-129.6	156.8	174.9	-170.5	10	0	0	0	110.5	P807 T812	P807-D809 VanDerWaalsContact C-N 3.33Å; P807-D809 WeakPolarHBondContact CB-O 3.33Å; D809-T812 HydrophobicContact CB-CG2 4.42Å
810	N	68.2	Low	82.2	Confident	78 Å²	78	49.3 Å²	49.3	42%	0.417	23%	0.234	S	C	.	.	S	Bend	trans	-89.2	-16.5	-177.2	-66.1	-81.6	0	0	0	113.8
811	E	66.9	Low	82.4	Confident	169 Å²	169	48.4 Å²	48.4	79%	0.79	23%	0.227	S	C	*	.	S	Bend	trans	-96.1	-19	-173.7	-57.7	-160.6	166	0	0	114.4
812	T	68.8	Low	82.3	Confident	32 Å²	32	48.5 Å²	48.5	20%	0.196	23%	0.227	C	C	.	.	S	Bend	trans	-69.4	152.9	-176.8	53.3	0	0	0	0	113.3	P719 D809 S814	P719-T812 WeakPolarHBondContact CD-O 3.46Å; D809-T812 HydrophobicContact CB-CG2 4.42Å; T812-S814 PolarHBondContact O-N 2.8Å
813	R	75.9	Confident	82	Confident	169 Å²	169	50 Å²	50	64%	0.638	23%	0.233	S	C	*	.			trans	-103.1	57.9	-171.4	-74.7	-164.7	62.6	-178.5	-4.7	113	T716 T718 T815	T716-R813 HydrophobicContact CG2-CB 4.36Å; T718-R813 HydrophobicContact CG2-CG 3.85Å; R813-T815 PolarHBondContact O-N 2.84Å; R813-T815 VanDerWaalsContact O-N 3.1Å; R813-T815 PolarHBondContact O-OG1 3.04Å
814	S	77	Confident	81.3	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.248	C	C	.	.			trans	-29.8	111.3	172.3	-66.4	0	0	0	0	114	T716 R717 Q747 I805 T812	T716-S814 WeakPolarHBondContact CA-O 3.39Å; R717-S814 PolarHBondContact N-O 3.3Å; Q747-S814 PolarHBondContact OE1-OG 2.92Å; I805-S814 WeakPolarHBondContact CD1-OG 3.42Å; T812-S814 PolarHBondContact O-N 2.8Å
815	T	83.9	Confident	80.3	Confident	22 Å²	22	58.9 Å²	58.9	14%	0.135	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	108.9	-175.8	-65.1	0	0	0	0	111.2	T714 T716 H742 R813	T714-T815 HydrophobicContact CG2-CG2 3.47Å; T714-T815 VanDerWaalsContact CG2-CG2 3.47Å; T716-T815 WeakPolarHBondContact CB-OG1 3.43Å; T716-T815 WeakPolarHBondContact CG2-OG1 3.5Å; T716-T815 VanDerWaalsContact OG1-CG2 3.27Å; T716-T815 WeakPolarHBondContact OG1-CG2 3.38Å; T716-T815 PolarHBondContact OG1-OG1 2.94Å; H742-T815 HydrophobicContact CB-CG2 3.79Å; H742-T815 PolarHBondContact N-O 2.8Å; H742-T815 VanDerWaalsContact N-O 3.12Å; R813-T815 PolarHBondContact O-N 2.84Å; R813-T815 VanDerWaalsContact O-N 3.1Å; R813-T815 PolarHBondContact O-OG1 3.04Å
816	L	87.6	Confident	79.4	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.5	176.1	-63.1	-175.9	0	0	0	111	T714 F715 M727 F728 I739 E741 L749 V803 I805	T714-L816 WeakPolarHBondContact CA-O 3.46Å; F715-L816 PolarHBondContact N-O 2.75Å; F715-L816 PolarHBondContact O-N 3.22Å; F715-L816 VanDerWaalsContact O-N 3.1Å; M727-L816 HydrophobicContact CB-CD1 4.45Å; M727-L816 HydrophobicContact CE-CB 4.42Å; M727-L816 HydrophobicContact CE-CD1 4.27Å; M727-L816 HydrophobicContact CE-CG 4.03Å; M727-L816 HydrophobicContact CG-CD1 4.08Å; F728-L816 HydrophobicContact CE1-CB 4.16Å; F728-L816 HydrophobicContact CE1-CD1 4.23Å; I739-L816 HydrophobicContact CG2-CD1 4.21Å; E741-L816 HydrophobicContact CB-CD2 4.33Å; E741-L816 HydrophobicContact CG-CD2 4.37Å; L749-L816 HydrophobicContact CD1-CD1 3.75Å; V803-L816 HydrophobicContact CG1-CD1 3.98Å; I805-L816 HydrophobicContact CG2-CD1 3.8Å; I805-L816 HydrophobicContact CG2-CG 4.42Å
817	M	88.6	Confident	78.3	Confident	82 Å²	82	60.8 Å²	60.8	40%	0.404	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.3	162.8	-60.2	-176	69.7	0	0	109.2	T714 I739 R740 H742	T714-M817 HydrophobicContact CG2-CG 4.1Å; I739-M817 WeakPolarHBondContact CA-O 3.04Å; R740-M817 PolarHBondContact N-O 3.3Å; R740-M817 WeakPolarHBondContact O-CA 3.26Å; R740-M817 WeakPolarHBondContact O-CB 3.43Å; R740-M817 PolarHBondContact O-N 2.95Å; H742-M817 HydrophobicContact CB-CG 4.27Å; H742-M817 HydrophobicContact CB-SD 4.46Å
818	Y	90	Very high	77	Confident	33 Å²	33	64.7 Å²	64.7	13%	0.129	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.5	173.1	68.6	-89.1	0	0	0	111.8	V711 K712 G713 F715 F728 Q738 Y820	V711-Y818 HydrophobicContact CG1-CE2 4.11Å; K712-Y818 WeakPolarHBondContact CA-O 3.4Å; G713-Y818 PolarHBondContact N-O 3Å; G713-Y818 WeakPolarHBondContact O-CD1 3.35Å; G713-Y818 PolarHBondContact O-N 3.34Å; F715-Y818 HydrophobicContact CB-CE1 4.37Å; F728-Y818 HydrophobicContact CD1-CD1 4.01Å; F728-Y818 HydrophobicContact CD1-CE1 4.31Å; F728-Y818 HydrophobicContact CD2-CD1 4.31Å; F728-Y818 HydrophobicContact CD2-CG 4.32Å; F728-Y818 AromaticContact CE1-CD1 3.75Å; F728-Y818 HydrophobicContact CE1-CD1 3.75Å; F728-Y818 HydrophobicContact CE1-CE1 4.48Å; F728-Y818 HydrophobicContact CE1-CG 4.3Å; F728-Y818 HydrophobicContact CE2-CD1 4.03Å; F728-Y818 HydrophobicContact CE2-CD2 4.45Å; F728-Y818 AromaticContact CE2-CG 3.82Å; F728-Y818 HydrophobicContact CE2-CG 3.82Å; F728-Y818 HydrophobicContact CG-CD1 4.32Å; F728-Y818 HydrophobicContact CG-CE1 4.45Å; F728-Y818 AromaticContact CZ-CD1 3.78Å; F728-Y818 HydrophobicContact CZ-CD1 3.78Å; F728-Y818 AromaticContact CZ-CG 3.84Å; F728-Y818 HydrophobicContact CZ-CG 3.84Å; Q738-Y818 CarbonylContact O-C 3.26Å; Q738-Y818 WeakPolarHBondContact O-CA 3.49Å; Y818-Y820 HydrophobicContact CD2-CD1 4.08Å; Y818-Y820 AromaticContact CD2-CE1 3.9Å; Y818-Y820 HydrophobicContact CD2-CE1 3.9Å; Y818-Y820 AromaticContact CE2-CE1 3.97Å; Y818-Y820 HydrophobicContact CE2-CE1 3.97Å
819	K	92.2	Very high	75.7	Confident	93 Å²	93	65.1 Å²	65.1	40%	0.404	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	133.5	178.6	174.6	-171.5	164.5	-156.2	0	108.5	T710 V711 V737 Q738	T710-K819 HydrophobicContact CG2-CG 4.29Å; V711-K819 CarbonylContact O-C 3.52Å; V711-K819 WeakPolarHBondContact O-CA 3.5Å; V737-K819 WeakPolarHBondContact CA-O 3.31Å; Q738-K819 PolarHBondContact N-O 3.09Å; Q738-K819 PolarHBondContact O-N 2.93Å
820	Y	91.1	Very high	74.4	Confident	27 Å²	27	68.3 Å²	68.3	11%	0.106	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	165.8	169.1	60.4	-94.1	0	0	0	110.5	T710 V711 V730 P731 A734 Y818 I822	T710-Y820 CarbonylContact C-O 3.5Å; T710-Y820 WeakPolarHBondContact CA-O 2.94Å; V711-Y820 HydrophobicContact CB-CD1 4.39Å; V711-Y820 HydrophobicContact CB-CD2 4.12Å; V711-Y820 HydrophobicContact CB-CE1 4.03Å; V711-Y820 HydrophobicContact CB-CE2 3.72Å; V711-Y820 HydrophobicContact CB-CG 4.44Å; V711-Y820 HydrophobicContact CG1-CE1 4.04Å; V711-Y820 HydrophobicContact CG1-CE2 4.37Å; V711-Y820 HydrophobicContact CG2-CD2 4.28Å; V711-Y820 HydrophobicContact CG2-CE2 3.64Å; V711-Y820 PolarHBondContact N-O 3.01Å; V711-Y820 PolarHBondContact O-N 3Å; V711-Y820 VanDerWaalsContact O-O 3.11Å; V730-Y820 HydrophobicContact CG1-CD1 4.18Å; V730-Y820 HydrophobicContact CG1-CE1 4.4Å; V730-Y820 HydrophobicContact CG1-CG 4.35Å; P731-Y820 HydrophobicContact CG-CE2 4Å; A734-Y820 HydrophobicContact CB-CD2 3.84Å; A734-Y820 HydrophobicContact CB-CE2 4.4Å; A734-Y820 HydrophobicContact CB-CG 4.25Å; Y818-Y820 HydrophobicContact CD2-CD1 4.08Å; Y818-Y820 AromaticContact CD2-CE1 3.9Å; Y818-Y820 HydrophobicContact CD2-CE1 3.9Å; Y818-Y820 AromaticContact CE2-CE1 3.97Å; Y818-Y820 HydrophobicContact CE2-CE1 3.97Å; Y820-I822 HydrophobicContact CD2-CB 4.35Å; Y820-I822 HydrophobicContact CD2-CG2 4.3Å; Y820-I822 HydrophobicContact CE2-CB 4.34Å; Y820-I822 HydrophobicContact CE2-CG2 4Å
821	I	90	Very high	73.1	Confident	14 Å²	14	70.5 Å²	70.5	7%	0.072	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.1	176.5	-51.9	-179.8	0	0	0	107.9	K697 C708 T710 A734 R735 H736	K697-I821 HydrophobicContact CB-CD1 3.92Å; K697-I821 HydrophobicContact CB-CG2 4.43Å; K697-I821 HydrophobicContact CD-CD1 4.25Å; K697-I821 HydrophobicContact CG-CD1 4.36Å; K697-I821 VanDerWaalsContact O-CG2 3.24Å; K697-I821 WeakPolarHBondContact O-CG2 3.2Å; C708-I821 HydrophobicContact CB-CG2 3.71Å; T710-I821 HydrophobicContact CG2-CG1 4.41Å; A734-I821 WeakPolarHBondContact CA-O 3.13Å; R735-I821 PolarHBondContact N-O 3.47Å; R735-I821 PolarHBondContact O-N 3.36Å; H736-I821 HydrophobicContact CB-CD1 4.32Å; H736-I821 HydrophobicContact CB-CG1 4.45Å
822	I	87.9	Confident	72.1	Confident	3 Å²	3	70 Å²	70	2%	0.015	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.1	-179.7	-177.5	160	0	0	0	110.2	C708 R709 V711 P731 Y820 V827	C708-I822 CarbonylContact C-O 3.41Å; C708-I822 VanDerWaalsContact CA-O 3.24Å; C708-I822 WeakPolarHBondContact CA-O 3.4Å; C708-I822 WeakPolarHBondContact CB-O 3.35Å; R709-I822 PolarHBondContact N-O 2.67Å; R709-I822 PolarHBondContact O-N 3Å; V711-I822 HydrophobicContact CG2-CG2 3.98Å; P731-I822 HydrophobicContact CB-CD1 4.27Å; P731-I822 HydrophobicContact CG-CD1 3.68Å; Y820-I822 HydrophobicContact CD2-CB 4.35Å; Y820-I822 HydrophobicContact CD2-CG2 4.3Å; Y820-I822 HydrophobicContact CE2-CB 4.34Å; Y820-I822 HydrophobicContact CE2-CG2 4Å; I822-V827 HydrophobicContact CG1-CG2 4.45Å; I822-V827 HydrophobicContact CG2-CG2 3.67Å
823	H	83.6	Confident	71.2	Confident	43 Å²	43	73.8 Å²	73.8	20%	0.199	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	143.3	175.8	-167.8	-102.5	0	0	0	111.4	H707 D825 S826	H707-H823 PolarHBondContact O-CD2 3.04Å; H823-D825 VanDerWaalsContact C-N 3.35Å; H823-D825 IonicContact CE1-OD2 3.25Å; H823-D825 PolarHBondContact CE1-OD2 3.39Å; H823-D825 IonicContact ND1-OD2 3.66Å; H823-D825 PolarHBondContact O-N 3.43Å; H823-S826 PolarHBondContact O-N 3.48Å
824	E	75.9	Confident	69.5	Low	64 Å²	64	67.6 Å²	67.6	30%	0.299	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-58.3	-42.4	-171.6	177.2	151.3	-124	0	0	113.2	H707 R709 S826	H707-E824 WeakPolarHBondContact O-CB 3.11Å; H707-E824 PolarHBondContact O-N 2.85Å; R709-E824 IonicContact CZ-OE1 3.46Å; R709-E824 IonicContact NE-OE1 3.62Å; R709-E824 PolarHBondContact NE-OE1 3.18Å; R709-E824 IonicContact NH2-OE1 2.77Å; R709-E824 PolarHBondContact NH2-OE1 3.03Å; E824-S826 VanDerWaalsContact C-N 3.31Å; E824-S826 PolarHBondContact O-N 3.09Å
825	D	68	Low	68	Low	136 Å²	136	73.9 Å²	73.9	73%	0.727	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-73.4	-19.6	178.8	-58.1	-45.9	0	0	0	113.8	H823 V827	H823-D825 VanDerWaalsContact C-N 3.35Å; H823-D825 IonicContact CE1-OD2 3.25Å; H823-D825 PolarHBondContact CE1-OD2 3.39Å; H823-D825 IonicContact ND1-OD2 3.66Å; H823-D825 PolarHBondContact O-N 3.43Å; D825-V827 VanDerWaalsContact C-N 3.28Å; D825-V827 PolarHBondContact O-N 3.31Å
826	S	65.9	Low	65.8	Low	64 Å²	64	78.1 Å²	78.1	45%	0.448	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-84.6	-1.8	-179	-55.2	0	0	0	0	113	H823 E824 P828	H823-S826 PolarHBondContact O-N 3.48Å; E824-S826 VanDerWaalsContact C-N 3.31Å; E824-S826 PolarHBondContact O-N 3.09Å; S826-P828 WeakPolarHBondContact O-CD 3.25Å
827	V	60	Low	63.8	Low	22 Å²	22	86.6 Å²	86.6	13%	0.133	46%	0.455	C	S	.	.	S	Bend	trans	-89.1	118.4	177.7	-172.5	0	0	0	0	110.1	I822 D825 V829 V834	I822-V827 HydrophobicContact CG1-CG2 4.45Å; I822-V827 HydrophobicContact CG2-CG2 3.67Å; D825-V827 VanDerWaalsContact C-N 3.28Å; D825-V827 PolarHBondContact O-N 3.31Å; V827-V829 PolarHBondContact O-N 3.29Å; V827-V829 VanDerWaalsContact O-N 3.15Å; V827-V834 HydrophobicContact CG1-CG2 4.26Å
828	P	51.4	Low	61.7	Low	95 Å²	95	87.4 Å²	87.4	62%	0.617	46%	0.458	S	S	*	.			trans	-59.7	121.3	169.7	-21.9	33.7	0	0	0	110.1	S826 N830	S826-P828 WeakPolarHBondContact O-CD 3.25Å; P828-N830 PolarHBondContact O-N 2.93Å
829	V	44	Very low	60.1	Low	138 Å²	138	88.7 Å²	88.7	84%	0.836	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-9.2	-170.3	-179.5	0	0	0	0	114.3	V827	V827-V829 PolarHBondContact O-N 3.29Å; V827-V829 VanDerWaalsContact O-N 3.15Å
830	N	45.3	Very low	59.2	Low	146 Å²	146	87.3 Å²	87.3	78%	0.781	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	2.4	-169.6	-87.1	12.1	0	0	0	117.1	P828	P828-N830 PolarHBondContact O-N 2.93Å
831	N	41.4	Very low	58.6	Low	124 Å²	124	88.9 Å²	88.9	66%	0.663	48%	0.476	S	S	*	.			trans	-115.2	110.9	179	-88.3	-31.9	0	0	0	113	N833	N831-N833 PolarHBondContact O-N 2.74Å
832	N	46.2	Very low	58.3	Low	157 Å²	157	90.1 Å²	90.1	84%	0.84	48%	0.48	S	S	*	.			trans	-71.2	21.4	-168.8	-65.7	-31.6	0	0	0	116.6
833	N	49.1	Very low	58	Low	113 Å²	113	90.5 Å²	90.5	60%	0.604	48%	0.484	S	S	*	.			trans	-105.4	40.8	-177.3	-71.5	-2.2	0	0	0	112.5	N831	N831-N833 PolarHBondContact O-N 2.74Å
834	V	39.7	Very low	57.7	Low	38 Å²	38	92.3 Å²	92.3	23%	0.23	50%	0.495	C	S	.	.			trans	-131.3	114.9	-178.7	-171.5	0	0	0	0	109.7	R709 V711 V827 Q836	R709-V834 HydrophobicContact CB-CG1 3.84Å; R709-V834 VanDerWaalsContact CD-CG1 3.44Å; R709-V834 HydrophobicContact CG-CG1 4.26Å; V711-V834 HydrophobicContact CG2-CG2 4.43Å; V827-V834 HydrophobicContact CG1-CG2 4.26Å; V834-Q836 PolarHBondContact O-N 3.36Å
835	I	45.6	Very low	57.9	Low	132 Å²	132	95.8 Å²	95.8	68%	0.677	51%	0.508	S	S	*	.			trans	-77.7	121.9	175.6	-59.3	174.9	0	0	0	107.9
836	Q	39	Very low	58.5	Low	112 Å²	112	91.7 Å²	91.7	52%	0.523	49%	0.491	S	S	.	.			trans	-111.3	116.2	-176.8	-174.2	175.8	39.2	0	0	109.9	V834	V834-Q836 PolarHBondContact O-N 3.36Å
837	E	44	Very low	59.3	Low	182 Å²	182	92.2 Å²	92.2	85%	0.85	48%	0.483	S	S	*	.			trans	-86.1	110.2	169.2	-67.9	-167	161.2	0	0	109.5	A839	E837-A839 PolarHBondContact O-N 3.16Å
838	E	45.6	Very low	60.4	Low	100 Å²	100	92.2 Å²	92.2	47%	0.467	48%	0.484	S	S	.	.			trans	-73.6	92.4	-179.9	-66.1	-150.5	125.1	0	0	112.1	Y840 K867	E838-Y840 HydrophobicContact CB-CE2 3.98Å; E838-Y840 VanDerWaalsContact O-CD2 3.24Å; E838-Y840 WeakPolarHBondContact O-CD2 3.32Å; E838-Y840 WeakPolarHBondContact O-CE2 3.39Å; E838-Y840 PolarHBondContact OE2-OH 2.83Å; E838-K867 WeakPolarHBondContact OE1-CE 3.33Å; E838-K867 IonicContact OE1-NZ 2.75Å; E838-K867 PolarHBondContact OE1-NZ 3.49Å
839	A	55.9	Low	61.6	Low	59 Å²	59	92.7 Å²	92.7	49%	0.488	49%	0.487	S	S	.	.			trans	-77.4	128.9	177	0	0	0	0	0	113.4	E837 K868	E837-A839 PolarHBondContact O-N 3.16Å; A839-K868 PolarHBondContact O-N 2.95Å; A839-K868 VanDerWaalsContact O-N 3.16Å
840	Y	74.3	Confident	63.3	Low	65 Å²	65	87.4 Å²	87.4	26%	0.255	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.8	172.9	-62.7	-95.6	0	0	0	110.5	E838 R866 K867 V874 Y878 C879	E838-Y840 HydrophobicContact CB-CE2 3.98Å; E838-Y840 VanDerWaalsContact O-CD2 3.24Å; E838-Y840 WeakPolarHBondContact O-CD2 3.32Å; E838-Y840 WeakPolarHBondContact O-CE2 3.39Å; E838-Y840 PolarHBondContact OE2-OH 2.83Å; Y840-R866 CarbonylContact C-O 3.51Å; Y840-R866 WeakPolarHBondContact CA-O 3.37Å; Y840-K867 HydrophobicContact CD1-CB 3.96Å; Y840-K867 HydrophobicContact CD1-CG 4.28Å; Y840-K867 HydrophobicContact CE1-CB 3.94Å; Y840-K867 HydrophobicContact CE1-CD 4.39Å; Y840-K867 HydrophobicContact CE1-CG 4.08Å; Y840-V874 HydrophobicContact CD1-CG2 4.01Å; Y840-V874 HydrophobicContact CE1-CG2 4.35Å; Y840-Y878 WeakPolarHBondContact CB-O 3.48Å; Y840-Y878 HydrophobicContact CD1-CG 4.42Å; Y840-Y878 HydrophobicContact CE1-CD1 4.49Å; Y840-Y878 HydrophobicContact CE1-CG 4.24Å; Y840-Y878 HydrophobicContact CE2-CD1 4.35Å; Y840-C879 VanDerWaalsContact C-SG 3.55Å
841	E	77.7	Confident	64.9	Low	59 Å²	59	84.1 Å²	84.1	28%	0.276	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153	-170.6	59.7	159.8	-133.4	0	0	115.2	A843 C865 R866 C879	E841-A843 PolarHBondContact O-N 3.09Å; E841-C865 WeakPolarHBondContact O-CA 3.29Å; E841-R866 HydrophobicContact CG-CG 3.9Å; E841-R866 PolarHBondContact N-O 3.42Å; E841-R866 PolarHBondContact O-N 2.86Å; E841-R866 IonicContact OE1-CZ 3.23Å; E841-R866 IonicContact OE1-NE 2.68Å; E841-R866 PolarHBondContact OE1-NE 3.15Å; E841-R866 IonicContact OE1-NH2 3.15Å; E841-R866 PolarHBondContact OE1-NH2 3.04Å; E841-C879 PolarHBondContact N-SG 2.93Å; E841-C879 VanDerWaalsContact N-SG 3.4Å; E841-C879 PolarHBondContact O-SG 2.95Å
842	W	83.8	Confident	66.2	Low	41 Å²	41	82.9 Å²	82.9	16%	0.155	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	91.8	176	-73.4	105.3	0	0	0	112.1	G864 R876 C879 E880 K884 P885	W842-G864 CarbonylContact C-O 3.59Å; W842-G864 WeakPolarHBondContact CA-O 3.46Å; W842-R876 HydrophobicContact CH2-CB 4.22Å; W842-C879 HydrophobicContact CD2-CB 4Å; W842-C879 HydrophobicContact CG-CB 4.23Å; W842-C879 HydrophobicContact CZ2-CB 3.89Å; W842-E880 PolarHBondContact NE1-O 3.13Å; W842-K884 HydrophobicContact CD2-CB 4.02Å; W842-K884 HydrophobicContact CD2-CD 4.46Å; W842-K884 HydrophobicContact CD2-CG 3.84Å; W842-K884 HydrophobicContact CE3-CD 4.33Å; W842-K884 HydrophobicContact CE3-CG 4.04Å; W842-K884 HydrophobicContact CG-CB 4.19Å; W842-K884 HydrophobicContact CG-CG 4.24Å; W842-K884 HydrophobicContact CH2-CD 4.2Å; W842-K884 HydrophobicContact CZ2-CB 4.28Å; W842-K884 HydrophobicContact CZ2-CD 4.31Å; W842-K884 HydrophobicContact CZ2-CG 4.39Å; W842-K884 HydrophobicContact CZ3-CD 4.2Å; W842-K884 HydrophobicContact CZ3-CG 4.4Å; W842-P885 HydrophobicContact CB-CG 4.42Å
843	A	80.8	Confident	67.1	Low	11 Å²	11	77.9 Å²	77.9	9%	0.091	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	158.4	178.7	0	0	0	0	0	113.3	E841 K845 Y863 G864 R866 M873	E841-A843 PolarHBondContact O-N 3.09Å; A843-K845 PolarHBondContact O-N 2.93Å; A843-Y863 CarbonylContact O-C 3.49Å; A843-Y863 VanDerWaalsContact O-CA 3.26Å; A843-Y863 WeakPolarHBondContact O-CA 3.44Å; A843-G864 PolarHBondContact N-O 3.48Å; A843-G864 PolarHBondContact O-N 2.87Å; A843-R866 VanDerWaalsContact CB-CD 3.46Å; A843-R866 HydrophobicContact CB-CG 3.85Å; A843-R866 VanDerWaalsContact CB-NE 3.26Å; A843-M873 HydrophobicContact CB-CE 3.95Å
844	L	77.4	Confident	68	Low	81 Å²	81	73 Å²	73	42%	0.424	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	120.1	173.9	-179.7	63.4	0	0	0	110	T861 Y863 M873	L844-T861 HydrophobicContact CD1-CG2 3.59Å; L844-Y863 HydrophobicContact CB-CE1 4.48Å; L844-M873 WeakPolarHBondContact O-CE 3.49Å
845	K	80.3	Confident	69.1	Low	136 Å²	136	73.5 Å²	73.5	59%	0.591	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	-36.7	177.8	-178.3	170	178.7	169.1	0	112.9	A843 K862 M873	A843-K845 PolarHBondContact O-N 2.93Å; K845-K862 WeakPolarHBondContact CA-O 3.45Å; K845-K862 WeakPolarHBondContact CB-O 3.44Å; K845-K862 PolarHBondContact N-O 3.2Å; K845-M873 HydrophobicContact CB-CE 4.03Å; K845-M873 HydrophobicContact CB-SD 3.97Å; K845-M873 HydrophobicContact CD-CG 4.28Å; K845-M873 HydrophobicContact CD-SD 4.24Å; K845-M873 HydrophobicContact CG-CE 4.5Å; K845-M873 HydrophobicContact CG-CG 4.35Å; K845-M873 HydrophobicContact CG-SD 4.19Å
846	S	81.6	Confident	70.3	Confident	51 Å²	51	68.4 Å²	68.4	36%	0.357	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	165.7	178.6	45.9	0	0	0	0	111.4	K862	S846-K862 PolarHBondContact N-O 2.96Å; S846-K862 WeakPolarHBondContact O-CB 3.42Å; S846-K862 PolarHBondContact O-N 2.86Å
847	W	81.8	Confident	72.1	Confident	75 Å²	75	63.1 Å²	63.1	28%	0.284	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	156.5	160.3	-70.8	89.9	0	0	0	110.3	Q859 Y860 T861 I888 R890	W847-Q859 HydrophobicContact CE3-CB 3.91Å; W847-Y860 CarbonylContact C-O 3.6Å; W847-T861 HydrophobicContact CD2-CG2 4.05Å; W847-T861 HydrophobicContact CE3-CG2 3.84Å; W847-T861 HydrophobicContact CH2-CG2 3.39Å; W847-T861 HydrophobicContact CZ2-CG2 3.6Å; W847-T861 HydrophobicContact CZ3-CG2 3.52Å; W847-I888 HydrophobicContact CH2-CG2 4.41Å; W847-I888 WeakPolarHBondContact CZ3-O 3.46Å; W847-R890 HydrophobicContact CE3-CG 3.95Å; W847-R890 HydrophobicContact CH2-CB 4.13Å; W847-R890 HydrophobicContact CH2-CG 3.88Å; W847-R890 HydrophobicContact CZ3-CB 4.06Å; W847-R890 HydrophobicContact CZ3-CG 3.53Å
848	S	82.8	Confident	73.7	Confident	21 Å²	21	54.9 Å²	54.9	15%	0.147	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-66.2	160.7	164.3	73.1	0	0	0	0	111.2	Q859 Y860	S848-Q859 VanDerWaalsContact O-CD 3.24Å; S848-Q859 WeakPolarHBondContact O-CG 3.43Å; S848-Q859 PolarHBondContact O-NE2 2.78Å; S848-Q859 WeakPolarHBondContact OG-CA 3.17Å; S848-Y860 PolarHBondContact N-O 3.43Å; S848-Y860 PolarHBondContact OG-N 3.1Å
849	P	78	Confident	75.4	Confident	105 Å²	105	51.7 Å²	51.7	68%	0.682	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-52.9	154.1	158.1	-24	35.1	0	0	0	111.3
850	C	79.9	Confident	76.7	Confident	27 Å²	27	54.1 Å²	54.1	18%	0.182	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-72.8	135.5	177.3	-172.7	0	0	0	0	110.4	K852 Q859 C892 N893	C850-K852 PolarHBondContact O-N 3.02Å; C850-K852 PolarHBondContact SG-O 3.1Å; C850-Q859 HydrophobicContact CB-CG 4.03Å; C850-C892 HydrophobicContact CB-CB 3.97Å; C850-C892 WeakPolarHBondContact CB-SG 3.35Å; C850-C892 WeakPolarHBondContact SG-CB 3.44Å; C850-C892 CovalentContact SG-SG 2.03Å; C850-C892 PolarHBondContact SG-SG 2.89Å; C850-N893 PolarHBondContact SG-ND2 3.16Å; C850-N893 VanDerWaalsContact SG-ND2 3.43Å
851	S	79	Confident	77.1	Confident	77 Å²	77	51.4 Å²	51.4	54%	0.538	28%	0.28	S	S	.	.	S	Bend	trans	-69.6	-14.7	-175.5	67	0	0	0	0	115.4	S858	S851-S858 PolarHBondContact N-O 3.28Å; S851-S858 PolarHBondContact OG-N 2.81Å; S851-S858 PolarHBondContact OG-O 2.94Å
852	K	68.4	Low	77.3	Confident	98 Å²	98	54.1 Å²	54.1	43%	0.426	29%	0.291	S	S	.	.			trans	-133.5	148.7	169.7	-58.5	-168.2	-159.6	167.6	0	110.9	C850 C854 S855 G856 N893	C850-K852 PolarHBondContact O-N 3.02Å; C850-K852 PolarHBondContact SG-O 3.1Å; K852-C854 WeakPolarHBondContact CB-O 3.4Å; K852-S855 WeakPolarHBondContact CD-O 3.28Å; K852-S855 PolarHBondContact NZ-O 3.41Å; K852-G856 VanDerWaalsContact CD-O 3.22Å; K852-G856 WeakPolarHBondContact CD-O 3.2Å; K852-G856 WeakPolarHBondContact CE-O 3.44Å; K852-G856 PolarHBondContact NZ-O 2.92Å; K852-N893 PolarHBondContact O-ND2 3.13Å
853	P	64.8	Low	77.4	Confident	53 Å²	53	54.2 Å²	54.2	34%	0.344	29%	0.291	S	S	.	.	S	Bend	trans	-81	-17.9	176	32.8	-35.3	0	0	0	114.3
854	C	68.1	Low	77.5	Confident	10 Å²	10	54.1 Å²	54.1	7%	0.068	29%	0.292	C	S	.	.	S	Bend	trans	-161.2	172.8	174.9	48.2	0	0	0	0	108.8	K852 G856 N893 Q895 C897	K852-C854 WeakPolarHBondContact CB-O 3.4Å; C854-G856 PolarHBondContact O-N 3.04Å; C854-N893 CarbonylContact C-O 3.49Å; C854-Q895 CarbonylContact C-O 3.56Å; C854-Q895 VanDerWaalsContact CB-O 3.25Å; C854-Q895 WeakPolarHBondContact CB-O 3.46Å; C854-C897 VanDerWaalsContact C-SG 3.51Å; C854-C897 HydrophobicContact CB-CB 4.24Å; C854-C897 WeakPolarHBondContact CB-SG 3.42Å; C854-C897 WeakPolarHBondContact SG-CB 3.41Å; C854-C897 CovalentContact SG-SG 2.03Å; C854-C897 PolarHBondContact SG-SG 2.92Å
855	S	63.1	Low	77.8	Confident	48 Å²	48	50.4 Å²	50.4	34%	0.336	27%	0.272	S	S	.	.	S	Bend	trans	49.5	53.5	-177.7	-156.8	0	0	0	0	114.1	K852 N893 Q895 D896	K852-S855 WeakPolarHBondContact CD-O 3.28Å; K852-S855 PolarHBondContact NZ-O 3.41Å; S855-N893 PolarHBondContact N-O 3.21Å; S855-Q895 PolarHBondContact N-O 2.58Å; S855-D896 VanDerWaalsContact CB-OD1 3.25Å; S855-D896 WeakPolarHBondContact CB-OD1 3.29Å; S855-D896 PolarHBondContact OG-OD1 2.79Å
856	G	69.6	Low	77.8	Confident	26 Å²	26	47.5 Å²	47.5	27%	0.268	26%	0.258	S	S	.	.	S	Bend	trans	77.4	85.4	165.4	0	0	0	0	0	115.4	K852 C854 N893	K852-G856 VanDerWaalsContact CD-O 3.22Å; K852-G856 WeakPolarHBondContact CD-O 3.2Å; K852-G856 WeakPolarHBondContact CE-O 3.44Å; K852-G856 PolarHBondContact NZ-O 2.92Å; C854-G856 PolarHBondContact O-N 3.04Å; G856-N893 PolarHBondContact N-O 3.4Å
857	G	76.8	Confident	77.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-173.7	168.5	0	0	0	0	0	113.9	M891 C892	G857-M891 WeakPolarHBondContact O-CA 3.43Å; G857-C892 PolarHBondContact N-O 2.04Å; G857-C892 PolarHBondContact O-N 2.99Å
858	S	77.9	Confident	76.5	Confident	9 Å²	9	49 Å²	49	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.3	172.1	-61.9	0	0	0	0	112.8	S851 R889 R890 C892	S851-S858 PolarHBondContact N-O 3.28Å; S851-S858 PolarHBondContact OG-N 2.81Å; S851-S858 PolarHBondContact OG-O 2.94Å; S858-R889 PolarHBondContact OG-NE 2.85Å; S858-R889 PolarHBondContact OG-NH2 3.4Å; S858-R890 CarbonylContact C-O 3.6Å; S858-R890 WeakPolarHBondContact CA-O 3.41Å; S858-C892 VanDerWaalsContact CA-SG 3.53Å; S858-C892 PolarHBondContact N-SG 3.16Å; S858-C892 VanDerWaalsContact N-SG 3.37Å
859	Q	81.4	Confident	75.5	Confident	32 Å²	32	51.8 Å²	51.8	15%	0.15	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.4	172.9	-72.3	-180	-14.5	0	0	110.8	W847 S848 C850 R889 R890 C892	W847-Q859 HydrophobicContact CE3-CB 3.91Å; S848-Q859 VanDerWaalsContact O-CD 3.24Å; S848-Q859 WeakPolarHBondContact O-CG 3.43Å; S848-Q859 PolarHBondContact O-NE2 2.78Å; S848-Q859 WeakPolarHBondContact OG-CA 3.17Å; C850-Q859 HydrophobicContact CB-CG 4.03Å; Q859-R889 CarbonylContact O-C 3.58Å; Q859-R889 WeakPolarHBondContact O-CA 3.26Å; Q859-R890 HydrophobicContact CB-CG 4.03Å; Q859-R890 PolarHBondContact N-O 3.44Å; Q859-R890 PolarHBondContact O-N 2.89Å; Q859-R890 VanDerWaalsContact OE1-CZ 3.31Å; Q859-C892 HydrophobicContact CG-CB 4.44Å
860	Y	84.3	Confident	74.9	Confident	111 Å²	111	50.1 Å²	50.1	44%	0.435	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145	178.1	-59.7	-89.5	0	0	0	111.5	W847 S848 I888 R889	W847-Y860 CarbonylContact C-O 3.6Å; S848-Y860 PolarHBondContact N-O 3.43Å; S848-Y860 PolarHBondContact OG-N 3.1Å; Y860-I888 VanDerWaalsContact CA-O 3.3Å; Y860-I888 WeakPolarHBondContact CA-O 3.42Å; Y860-R889 HydrophobicContact CD1-CB 3.99Å; Y860-R889 HydrophobicContact CD1-CG 4.35Å; Y860-R889 HydrophobicContact CE1-CB 3.79Å; Y860-R889 HydrophobicContact CE1-CG 3.85Å
861	T	82.5	Confident	74	Confident	8 Å²	8	54.6 Å²	54.6	5%	0.049	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.7	174.4	51.4	0	0	0	0	112.7	L844 W847 Y863 P887 I888	L844-T861 HydrophobicContact CD1-CG2 3.59Å; W847-T861 HydrophobicContact CD2-CG2 4.05Å; W847-T861 HydrophobicContact CE3-CG2 3.84Å; W847-T861 HydrophobicContact CH2-CG2 3.39Å; W847-T861 HydrophobicContact CZ2-CG2 3.6Å; W847-T861 HydrophobicContact CZ3-CG2 3.52Å; T861-Y863 WeakPolarHBondContact OG1-CE2 3.36Å; T861-Y863 VanDerWaalsContact OG1-CZ 3.26Å; T861-Y863 PolarHBondContact OG1-OH 3.32Å; T861-P887 WeakPolarHBondContact OG1-CA 3.39Å; T861-I888 HydrophobicContact CG2-CB 4.02Å; T861-I888 PolarHBondContact N-O 2.78Å; T861-I888 PolarHBondContact OG1-N 3.29Å
862	K	81.4	Confident	73.4	Confident	115 Å²	115	58.5 Å²	58.5	50%	0.5	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.6	169.3	-65.9	-178.9	178.1	178.9	0	109.1	K845 S846	K845-K862 WeakPolarHBondContact CA-O 3.45Å; K845-K862 WeakPolarHBondContact CB-O 3.44Å; K845-K862 PolarHBondContact N-O 3.2Å; S846-K862 PolarHBondContact N-O 2.96Å; S846-K862 WeakPolarHBondContact O-CB 3.42Å; S846-K862 PolarHBondContact O-N 2.86Å
863	Y	84.5	Confident	73.7	Confident	43 Å²	43	56.9 Å²	56.9	17%	0.169	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143	176.5	-59.1	-84.1	0	0	0	112	A843 L844 T861 P885 I888	A843-Y863 CarbonylContact O-C 3.49Å; A843-Y863 VanDerWaalsContact O-CA 3.26Å; A843-Y863 WeakPolarHBondContact O-CA 3.44Å; L844-Y863 HydrophobicContact CB-CE1 4.48Å; T861-Y863 WeakPolarHBondContact OG1-CE2 3.36Å; T861-Y863 VanDerWaalsContact OG1-CZ 3.26Å; T861-Y863 PolarHBondContact OG1-OH 3.32Å; Y863-P885 HydrophobicContact CD1-CB 4.38Å; Y863-P885 HydrophobicContact CD1-CG 4.18Å; Y863-P885 HydrophobicContact CD2-CB 4.21Å; Y863-P885 HydrophobicContact CE1-CB 4.04Å; Y863-P885 HydrophobicContact CE1-CG 4.12Å; Y863-P885 HydrophobicContact CE2-CB 3.84Å; Y863-P885 HydrophobicContact CG-CB 4.49Å; Y863-P885 HydrophobicContact CG-CG 4.49Å; Y863-I888 WeakPolarHBondContact OH-CD1 3.38Å
864	G	83.6	Confident	74.5	Confident	10 Å²	10	56.7 Å²	56.7	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	171.4	168.2	0	0	0	0	0	110.7	W842 A843	W842-G864 CarbonylContact C-O 3.59Å; W842-G864 WeakPolarHBondContact CA-O 3.46Å; A843-G864 PolarHBondContact N-O 3.48Å; A843-G864 PolarHBondContact O-N 2.87Å
865	C	83.8	Confident	74.8	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.3	174.7	-177.8	0	0	0	0	109.4	E841 M873 V874 C879	E841-C865 WeakPolarHBondContact O-CA 3.29Å; C865-M873 CarbonylContact O-C 3.51Å; C865-M873 VanDerWaalsContact O-CA 3.31Å; C865-M873 WeakPolarHBondContact O-CA 3.48Å; C865-V874 HydrophobicContact CB-CG2 4.14Å; C865-V874 PolarHBondContact O-N 2.82Å; C865-V874 VanDerWaalsContact SG-CG2 3.58Å; C865-C879 WeakPolarHBondContact CA-SG 3.36Å; C865-C879 HydrophobicContact CB-CB 3.8Å; C865-C879 WeakPolarHBondContact CB-SG 3.37Å; C865-C879 WeakPolarHBondContact SG-CB 3.49Å; C865-C879 PolarHBondContact SG-N 2.97Å; C865-C879 CovalentContact SG-SG 2.03Å; C865-C879 PolarHBondContact SG-SG 3.09Å
866	R	79.4	Confident	75.3	Confident	76 Å²	76	69 Å²	69	29%	0.287	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	160.2	169.9	67.1	-178.5	-172.2	165.3	-4.4	110.5	Y840 E841 A843 D870	Y840-R866 CarbonylContact C-O 3.51Å; Y840-R866 WeakPolarHBondContact CA-O 3.37Å; E841-R866 HydrophobicContact CG-CG 3.9Å; E841-R866 PolarHBondContact N-O 3.42Å; E841-R866 PolarHBondContact O-N 2.86Å; E841-R866 IonicContact OE1-CZ 3.23Å; E841-R866 IonicContact OE1-NE 2.68Å; E841-R866 PolarHBondContact OE1-NE 3.15Å; E841-R866 IonicContact OE1-NH2 3.15Å; E841-R866 PolarHBondContact OE1-NH2 3.04Å; A843-R866 VanDerWaalsContact CB-CD 3.46Å; A843-R866 HydrophobicContact CB-CG 3.85Å; A843-R866 VanDerWaalsContact CB-NE 3.26Å; R866-D870 WeakPolarHBondContact CD-O 3.48Å
867	K	74.3	Confident	75.2	Confident	70 Å²	70	70.7 Å²	70.7	30%	0.304	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.6	168.2	-168.1	171.2	-173.8	171.6	0	108.6	E838 Y840 G869 D870	E838-K867 WeakPolarHBondContact OE1-CE 3.33Å; E838-K867 IonicContact OE1-NZ 2.75Å; E838-K867 PolarHBondContact OE1-NZ 3.49Å; Y840-K867 HydrophobicContact CD1-CB 3.96Å; Y840-K867 HydrophobicContact CD1-CG 4.28Å; Y840-K867 HydrophobicContact CE1-CB 3.94Å; Y840-K867 HydrophobicContact CE1-CD 4.39Å; Y840-K867 HydrophobicContact CE1-CG 4.08Å; K867-G869 PolarHBondContact O-N 2.91Å; K867-D870 HydrophobicContact CB-CB 4.17Å; K867-D870 PolarHBondContact O-N 3.37Å; K867-D870 VanDerWaalsContact O-N 3.07Å
868	K	62.6	Low	75	Confident	88 Å²	88	77.4 Å²	77.4	38%	0.383	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	130.9	178	-158.4	179.4	-174.9	-175.5	0	108.8	D704 S706 A839	D704-K868 IonicContact OD2-NZ 2.71Å; S706-K868 PolarHBondContact OG-NZ 3.19Å; A839-K868 PolarHBondContact O-N 2.95Å; A839-K868 VanDerWaalsContact O-N 3.16Å
869	G	62.4	Low	74.8	Confident	79 Å²	79	77.2 Å²	77.2	81%	0.814	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	-19.6	-174.2	0	0	0	0	0	116.7	K867	K867-G869 PolarHBondContact O-N 2.91Å
870	D	65.1	Low	74.5	Confident	70 Å²	70	80.8 Å²	80.8	37%	0.374	41%	0.405	S	S	.	.			trans	-95.6	147.1	-176.6	-158.6	-23.7	0	0	0	112	R866 K867 K872	R866-D870 WeakPolarHBondContact CD-O 3.48Å; K867-D870 HydrophobicContact CB-CB 4.17Å; K867-D870 PolarHBondContact O-N 3.37Å; K867-D870 VanDerWaalsContact O-N 3.07Å; D870-K872 PolarHBondContact OD1-N 3.14Å; D870-K872 VanDerWaalsContact OD1-N 3.15Å
871	T	61.3	Low	73.8	Confident	121 Å²	121	79.1 Å²	79.1	74%	0.742	41%	0.414	S	S	*	.			trans	-87.2	-19.1	176.7	56.4	0	0	0	0	112.9	M873	T871-M873 PolarHBondContact O-N 2.92Å
872	K	65.4	Low	73.2	Confident	158 Å²	158	86.3 Å²	86.3	69%	0.687	45%	0.452	S	S	*	.	S	Bend	trans	-76.4	124.1	179.8	-75.4	176.3	179.2	169.2	0	111.9	D870 V874	D870-K872 PolarHBondContact OD1-N 3.14Å; D870-K872 VanDerWaalsContact OD1-N 3.15Å; K872-V874 PolarHBondContact O-N 3.4Å
873	M	76.2	Confident	72.8	Confident	65 Å²	65	87.6 Å²	87.6	32%	0.32	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	117.8	173.9	-68.4	-86.9	163.4	0	0	110.3	A843 L844 K845 C865 T871	A843-M873 HydrophobicContact CB-CE 3.95Å; L844-M873 WeakPolarHBondContact O-CE 3.49Å; K845-M873 HydrophobicContact CB-CE 4.03Å; K845-M873 HydrophobicContact CB-SD 3.97Å; K845-M873 HydrophobicContact CD-CG 4.28Å; K845-M873 HydrophobicContact CD-SD 4.24Å; K845-M873 HydrophobicContact CG-CE 4.5Å; K845-M873 HydrophobicContact CG-CG 4.35Å; K845-M873 HydrophobicContact CG-SD 4.19Å; C865-M873 CarbonylContact O-C 3.51Å; C865-M873 VanDerWaalsContact O-CA 3.31Å; C865-M873 WeakPolarHBondContact O-CA 3.48Å; T871-M873 PolarHBondContact O-N 2.92Å
874	V	80.8	Confident	72.5	Confident	49 Å²	49	90.8 Å²	90.8	30%	0.297	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	177.8	178.9	-52.7	0	0	0	0	111.7	Y840 C865 K872 Y878	Y840-V874 HydrophobicContact CD1-CG2 4.01Å; Y840-V874 HydrophobicContact CE1-CG2 4.35Å; C865-V874 HydrophobicContact CB-CG2 4.14Å; C865-V874 PolarHBondContact O-N 2.82Å; C865-V874 VanDerWaalsContact SG-CG2 3.58Å; K872-V874 PolarHBondContact O-N 3.4Å; V874-Y878 HydrophobicContact CB-CD2 4.35Å; V874-Y878 HydrophobicContact CG2-CD2 3.98Å; V874-Y878 HydrophobicContact CG2-CG 4.48Å
875	H	73.5	Confident	72.3	Confident	126 Å²	126	92.8 Å²	92.8	58%	0.583	48%	0.483	S	S	*	.			trans	-64.5	141.3	179	-175.4	-116.1	0	0	0	112	G877 Y878	H875-G877 PolarHBondContact O-N 2.8Å; H875-Y878 HydrophobicContact CB-CD2 4.11Å; H875-Y878 HydrophobicContact CB-CE2 3.97Å; H875-Y878 WeakPolarHBondContact O-CD2 3.25Å; H875-Y878 PolarHBondContact O-N 2.84Å
876	R	73.5	Confident	72	Confident	191 Å²	191	101.6 Å²	101.6	72%	0.721	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-11.1	-173.1	71.4	175	-176.7	-179.4	1.5	116.2	W842	W842-R876 HydrophobicContact CH2-CB 4.22Å
877	G	69	Low	71.9	Confident	60 Å²	60	102 Å²	102	62%	0.619	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-14	-176.7	0	0	0	0	0	114.9	H875	H875-G877 PolarHBondContact O-N 2.8Å
878	Y	71.3	Confident	72.2	Confident	142 Å²	142	103.4 Å²	103.4	56%	0.557	54%	0.544	S	S	*	.	S	Bend	trans	-79	-20.2	177.6	-64.7	-74.5	0	0	0	112.9	Y840 V874 H875	Y840-Y878 WeakPolarHBondContact CB-O 3.48Å; Y840-Y878 HydrophobicContact CD1-CG 4.42Å; Y840-Y878 HydrophobicContact CE1-CD1 4.49Å; Y840-Y878 HydrophobicContact CE1-CG 4.24Å; Y840-Y878 HydrophobicContact CE2-CD1 4.35Å; V874-Y878 HydrophobicContact CB-CD2 4.35Å; V874-Y878 HydrophobicContact CG2-CD2 3.98Å; V874-Y878 HydrophobicContact CG2-CG 4.48Å; H875-Y878 HydrophobicContact CB-CD2 4.11Å; H875-Y878 HydrophobicContact CB-CE2 3.97Å; H875-Y878 WeakPolarHBondContact O-CD2 3.25Å; H875-Y878 PolarHBondContact O-N 2.84Å
879	C	74.4	Confident	73.1	Confident	6 Å²	6	106.6 Å²	106.6	4%	0.041	55%	0.554	C	S	.	*	S	Bend	trans	-101.7	133.1	177.5	-61.9	0	0	0	0	111	Y840 E841 W842 C865 A881	Y840-C879 VanDerWaalsContact C-SG 3.55Å; E841-C879 PolarHBondContact N-SG 2.93Å; E841-C879 VanDerWaalsContact N-SG 3.4Å; E841-C879 PolarHBondContact O-SG 2.95Å; W842-C879 HydrophobicContact CD2-CB 4Å; W842-C879 HydrophobicContact CG-CB 4.23Å; W842-C879 HydrophobicContact CZ2-CB 3.89Å; C865-C879 WeakPolarHBondContact CA-SG 3.36Å; C865-C879 HydrophobicContact CB-CB 3.8Å; C865-C879 WeakPolarHBondContact CB-SG 3.37Å; C865-C879 WeakPolarHBondContact SG-CB 3.49Å; C865-C879 PolarHBondContact SG-N 2.97Å; C865-C879 CovalentContact SG-SG 2.03Å; C865-C879 PolarHBondContact SG-SG 3.09Å; C879-A881 PolarHBondContact O-N 3.09Å
880	E	75.3	Confident	74	Confident	107 Å²	107	108.2 Å²	108.2	50%	0.5	54%	0.535	S	S	.	.			trans	-56.6	118	177.5	-71.8	171.3	-125.2	0	0	112.1	W842 N882 K883	W842-E880 PolarHBondContact NE1-O 3.13Å; E880-N882 PolarHBondContact O-N 3.38Å; E880-K883 HydrophobicContact CB-CB 4.33Å; E880-K883 HydrophobicContact CB-CD 4.28Å; E880-K883 HydrophobicContact CB-CG 4.28Å; E880-K883 VanDerWaalsContact CD-NZ 3.28Å; E880-K883 PolarHBondContact O-N 3.07Å; E880-K883 WeakPolarHBondContact OE1-CE 3.4Å; E880-K883 IonicContact OE1-NZ 1.79Å; E880-K883 PolarHBondContact OE1-NZ 3.31Å; E880-K883 VanDerWaalsContact OE2-CD 3.29Å; E880-K883 WeakPolarHBondContact OE2-CD 3.48Å; E880-K883 WeakPolarHBondContact OE2-CE 3.37Å; E880-K883 IonicContact OE2-NZ 3.24Å; E880-K883 PolarHBondContact OE2-NZ 2.67Å; E880-K883 VanDerWaalsContact OE2-NZ 3.15Å
881	A	69	Low	74.5	Confident	76 Å²	76	111.1 Å²	111.1	63%	0.628	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-57.1	-28.5	-179.3	0	0	0	0	0	113.6	C879 K884	C879-A881 PolarHBondContact O-N 3.09Å; A881-K884 VanDerWaalsContact O-CB 3.26Å; A881-K884 WeakPolarHBondContact O-CB 3.37Å; A881-K884 PolarHBondContact O-N 2.86Å
882	N	71.2	Confident	75.1	Confident	158 Å²	158	106.1 Å²	106.1	85%	0.845	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-71.6	-28.8	-179.6	-60.6	-6.5	0	0	0	112.9	E880 K884	E880-N882 PolarHBondContact O-N 3.38Å; N882-K884 VanDerWaalsContact C-N 3.28Å; N882-K884 PolarHBondContact O-N 2.61Å
883	K	72.1	Confident	75.3	Confident	142 Å²	142	102.3 Å²	102.3	62%	0.617	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-87.6	9.8	177.9	-66.8	178.5	179.6	160.6	0	113	E880 P885	E880-K883 HydrophobicContact CB-CB 4.33Å; E880-K883 HydrophobicContact CB-CD 4.28Å; E880-K883 HydrophobicContact CB-CG 4.28Å; E880-K883 VanDerWaalsContact CD-NZ 3.28Å; E880-K883 PolarHBondContact O-N 3.07Å; E880-K883 WeakPolarHBondContact OE1-CE 3.4Å; E880-K883 IonicContact OE1-NZ 1.79Å; E880-K883 PolarHBondContact OE1-NZ 3.31Å; E880-K883 VanDerWaalsContact OE2-CD 3.29Å; E880-K883 WeakPolarHBondContact OE2-CD 3.48Å; E880-K883 WeakPolarHBondContact OE2-CE 3.37Å; E880-K883 IonicContact OE2-NZ 3.24Å; E880-K883 PolarHBondContact OE2-NZ 2.67Å; E880-K883 VanDerWaalsContact OE2-NZ 3.15Å; K883-P885 WeakPolarHBondContact O-CD 3.48Å
884	K	77.8	Confident	74.6	Confident	111 Å²	111	104.8 Å²	104.8	48%	0.483	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-75	123.3	-178.2	-174.1	-177.4	174.2	-169.5	0	111.3	W842 A881 N882	W842-K884 HydrophobicContact CD2-CB 4.02Å; W842-K884 HydrophobicContact CD2-CD 4.46Å; W842-K884 HydrophobicContact CD2-CG 3.84Å; W842-K884 HydrophobicContact CE3-CD 4.33Å; W842-K884 HydrophobicContact CE3-CG 4.04Å; W842-K884 HydrophobicContact CG-CB 4.19Å; W842-K884 HydrophobicContact CG-CG 4.24Å; W842-K884 HydrophobicContact CH2-CD 4.2Å; W842-K884 HydrophobicContact CZ2-CB 4.28Å; W842-K884 HydrophobicContact CZ2-CD 4.31Å; W842-K884 HydrophobicContact CZ2-CG 4.39Å; W842-K884 HydrophobicContact CZ3-CD 4.2Å; W842-K884 HydrophobicContact CZ3-CG 4.4Å; A881-K884 VanDerWaalsContact O-CB 3.26Å; A881-K884 WeakPolarHBondContact O-CB 3.37Å; A881-K884 PolarHBondContact O-N 2.86Å; N882-K884 VanDerWaalsContact C-N 3.28Å; N882-K884 PolarHBondContact O-N 2.61Å
885	P	80	Confident	73.5	Confident	51 Å²	51	110.1 Å²	110.1	33%	0.331	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-61.4	147.7	178.7	-24.1	34.3	0	0	0	113.7	W842 Y863 K883	W842-P885 HydrophobicContact CB-CG 4.42Å; Y863-P885 HydrophobicContact CD1-CB 4.38Å; Y863-P885 HydrophobicContact CD1-CG 4.18Å; Y863-P885 HydrophobicContact CD2-CB 4.21Å; Y863-P885 HydrophobicContact CE1-CB 4.04Å; Y863-P885 HydrophobicContact CE1-CG 4.12Å; Y863-P885 HydrophobicContact CE2-CB 3.84Å; Y863-P885 HydrophobicContact CG-CB 4.49Å; Y863-P885 HydrophobicContact CG-CG 4.49Å; K883-P885 WeakPolarHBondContact O-CD 3.48Å
886	K	77.3	Confident	72.6	Confident	187 Å²	187	110.4 Å²	110.4	81%	0.813	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-67	143.3	172	-68	179.7	-179.3	174.8	0	110	I888	K886-I888 PolarHBondContact O-N 3.26Å
887	P	77.1	Confident	71.8	Confident	86 Å²	86	104.4 Å²	104.4	56%	0.558	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-61.3	118.6	177.1	-23.3	34.4	0	0	0	112.1	T861	T861-P887 WeakPolarHBondContact OG1-CA 3.39Å
888	I	81.9	Confident	71.5	Confident	99 Å²	99	103.9 Å²	103.9	51%	0.508	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-77.9	132	175.4	-58.5	173	0	0	0	107.9	W847 Y860 T861 Y863 K886	W847-I888 HydrophobicContact CH2-CG2 4.41Å; W847-I888 WeakPolarHBondContact CZ3-O 3.46Å; Y860-I888 VanDerWaalsContact CA-O 3.3Å; Y860-I888 WeakPolarHBondContact CA-O 3.42Å; T861-I888 HydrophobicContact CG2-CB 4.02Å; T861-I888 PolarHBondContact N-O 2.78Å; T861-I888 PolarHBondContact OG1-N 3.29Å; Y863-I888 WeakPolarHBondContact OH-CD1 3.38Å; K886-I888 PolarHBondContact O-N 3.26Å
889	R	81.4	Confident	71.1	Confident	155 Å²	155	105.3 Å²	105.3	59%	0.585	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	132	176.5	-179.4	-176	166.4	-136.9	-3.4	110.1	S858 Q859 Y860	S858-R889 PolarHBondContact OG-NE 2.85Å; S858-R889 PolarHBondContact OG-NH2 3.4Å; Q859-R889 CarbonylContact O-C 3.58Å; Q859-R889 WeakPolarHBondContact O-CA 3.26Å; Y860-R889 HydrophobicContact CD1-CB 3.99Å; Y860-R889 HydrophobicContact CD1-CG 4.35Å; Y860-R889 HydrophobicContact CE1-CB 3.79Å; Y860-R889 HydrophobicContact CE1-CG 3.85Å
890	R	80.9	Confident	70.7	Confident	113 Å²	113	106.1 Å²	106.1	43%	0.426	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.7	167	73.1	179.5	180	178.5	2.9	111.7	W847 S858 Q859	W847-R890 HydrophobicContact CE3-CG 3.95Å; W847-R890 HydrophobicContact CH2-CB 4.13Å; W847-R890 HydrophobicContact CH2-CG 3.88Å; W847-R890 HydrophobicContact CZ3-CB 4.06Å; W847-R890 HydrophobicContact CZ3-CG 3.53Å; S858-R890 CarbonylContact C-O 3.6Å; S858-R890 WeakPolarHBondContact CA-O 3.41Å; Q859-R890 HydrophobicContact CB-CG 4.03Å; Q859-R890 PolarHBondContact N-O 3.44Å; Q859-R890 PolarHBondContact O-N 2.89Å; Q859-R890 VanDerWaalsContact OE1-CZ 3.31Å
891	M	75.3	Confident	70.7	Confident	131 Å²	131	107 Å²	107	65%	0.645	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	157	172.5	-71.8	159.8	66.1	0	0	111.1	G857 L894	G857-M891 WeakPolarHBondContact O-CA 3.43Å; M891-L894 HydrophobicContact CB-CD2 4.45Å; M891-L894 HydrophobicContact CE-CD2 4.03Å
892	C	74.8	Confident	71.3	Confident	16 Å²	16	106 Å²	106	11%	0.108	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	159.4	-177	48.4	0	0	0	0	111.1	C850 G857 S858 Q859	C850-C892 HydrophobicContact CB-CB 3.97Å; C850-C892 WeakPolarHBondContact CB-SG 3.35Å; C850-C892 WeakPolarHBondContact SG-CB 3.44Å; C850-C892 CovalentContact SG-SG 2.03Å; C850-C892 PolarHBondContact SG-SG 2.89Å; G857-C892 PolarHBondContact N-O 2.04Å; G857-C892 PolarHBondContact O-N 2.99Å; S858-C892 VanDerWaalsContact CA-SG 3.53Å; S858-C892 PolarHBondContact N-SG 3.16Å; S858-C892 VanDerWaalsContact N-SG 3.37Å; Q859-C892 HydrophobicContact CG-CB 4.44Å
893	N	67.7	Low	71.7	Confident	77 Å²	77	101.5 Å²	101.5	41%	0.412	49%	0.494	S	S	.	.			trans	52.8	61	175.1	-58.1	-9	0	0	0	113.1	C850 K852 C854 S855 G856	C850-N893 PolarHBondContact SG-ND2 3.16Å; C850-N893 VanDerWaalsContact SG-ND2 3.43Å; K852-N893 PolarHBondContact O-ND2 3.13Å; C854-N893 CarbonylContact C-O 3.49Å; S855-N893 PolarHBondContact N-O 3.21Å; G856-N893 PolarHBondContact N-O 3.4Å
894	L	62.8	Low	72.1	Confident	117 Å²	117	97 Å²	97	61%	0.613	48%	0.481	S	S	*	.			trans	-81.5	-10.9	-173.1	-63	174.4	0	0	0	115	M891	M891-L894 HydrophobicContact CB-CD2 4.45Å; M891-L894 HydrophobicContact CE-CD2 4.03Å
895	Q	57.5	Low	72.2	Confident	162 Å²	162	95.1 Å²	95.1	76%	0.757	47%	0.474	S	S	*	.	S	Bend	trans	-71.8	143.9	177.9	-60.2	-63.1	-6	0	0	111.5	C854 S855	C854-Q895 CarbonylContact C-O 3.56Å; C854-Q895 VanDerWaalsContact CB-O 3.25Å; C854-Q895 WeakPolarHBondContact CB-O 3.46Å; S855-Q895 PolarHBondContact N-O 2.58Å
896	D	53.8	Low	72.3	Confident	132 Å²	132	100 Å²	100	71%	0.706	50%	0.497	S	S	*	.			trans	-76.3	165.9	-176.9	-82.7	-47.4	0	0	0	115.1	S855	S855-D896 VanDerWaalsContact CB-OD1 3.25Å; S855-D896 WeakPolarHBondContact CB-OD1 3.29Å; S855-D896 PolarHBondContact OG-OD1 2.79Å
897	C	57.9	Low	72.6	Confident	64 Å²	64	93.7 Å²	93.7	43%	0.432	47%	0.468	S	S	.	.			trans	-110.9	124.2	-169.3	-54.5	0	0	0	0	112.3	C854	C854-C897 VanDerWaalsContact C-SG 3.51Å; C854-C897 HydrophobicContact CB-CB 4.24Å; C854-C897 WeakPolarHBondContact CB-SG 3.42Å; C854-C897 WeakPolarHBondContact SG-CB 3.41Å; C854-C897 CovalentContact SG-SG 2.03Å; C854-C897 PolarHBondContact SG-SG 2.92Å
898	T	61.8	Low	72.7	Confident	50 Å²	50	94.3 Å²	94.3	31%	0.307	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-67.5	154.9	158.7	47.2	0	0	0	0	111.1	Q928 F929	T898-Q928 PolarHBondContact O-NE2 3.19Å; T898-Q928 WeakPolarHBondContact OG1-CG 3.39Å; T898-F929 WeakPolarHBondContact CB-O 3.16Å; T898-F929 PolarHBondContact OG1-O 2.8Å
899	Q	62.3	Low	72.3	Confident	171 Å²	171	98 Å²	98	80%	0.799	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-74	135.7	179.8	-75.1	-163	3.9	0	0	112.6
900	P	67.4	Low	72.2	Confident	24 Å²	24	92.2 Å²	92.2	16%	0.156	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-77.6	150.4	175.8	-21.5	37.7	0	0	0	114.6	M927 Q928 I938 Y942 C943	P900-M927 WeakPolarHBondContact CA-O 2.98Å; P900-Q928 HydrophobicContact CG-CG 4.34Å; P900-I938 HydrophobicContact CB-CD1 3.74Å; P900-I938 HydrophobicContact CG-CD1 3.43Å; P900-I938 VanDerWaalsContact CG-CD1 3.43Å; P900-Y942 WeakPolarHBondContact CG-O 3.36Å; P900-C943 HydrophobicContact CB-CB 4.48Å; P900-C943 VanDerWaalsContact CB-SG 3.5Å
901	Q	74.5	Confident	72	Confident	126 Å²	126	89.4 Å²	89.4	59%	0.589	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.2	175.3	-69.7	-174.2	-16.1	0	0	113	M927 C943	Q901-M927 PolarHBondContact N-O 3.09Å; Q901-M927 PolarHBondContact O-N 2.53Å; Q901-C943 PolarHBondContact O-SG 3.38Å
902	W	82.7	Confident	71.3	Confident	53 Å²	53	89 Å²	89	20%	0.201	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.1	175.4	-75.6	118.6	0	0	0	111.3	V924 C926 C943 G945 K947 P948	W902-V924 HydrophobicContact CE3-CG1 3.9Å; W902-V924 HydrophobicContact CZ3-CG1 4.2Å; W902-C926 HydrophobicContact CE3-CB 4.01Å; W902-C926 HydrophobicContact CH2-CB 4.36Å; W902-C926 HydrophobicContact CZ3-CB 3.89Å; W902-C943 HydrophobicContact CD2-CB 3.92Å; W902-C943 HydrophobicContact CG-CB 4.1Å; W902-C943 HydrophobicContact CZ2-CB 4.11Å; W902-G945 PolarHBondContact NE1-O 2.92Å; W902-K947 HydrophobicContact CD2-CG 4.23Å; W902-K947 HydrophobicContact CE3-CG 4.15Å; W902-K947 HydrophobicContact CH2-CB 4.17Å; W902-K947 HydrophobicContact CH2-CD 3.8Å; W902-K947 HydrophobicContact CH2-CG 3.59Å; W902-K947 HydrophobicContact CZ2-CB 3.75Å; W902-K947 HydrophobicContact CZ2-CD 4.25Å; W902-K947 HydrophobicContact CZ2-CG 3.69Å; W902-K947 HydrophobicContact CZ3-CD 4.18Å; W902-K947 HydrophobicContact CZ3-CG 3.84Å; W902-P948 HydrophobicContact CB-CG 4.35Å
903	I	78.4	Confident	70.7	Confident	64 Å²	64	94 Å²	94	33%	0.328	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.9	172.3	-54.7	-172.5	0	0	0	108.8	V924 R925 M927 F929	I903-V924 CarbonylContact O-C 3.52Å; I903-V924 WeakPolarHBondContact O-CA 3.22Å; I903-R925 PolarHBondContact N-O 3.42Å; I903-R925 PolarHBondContact O-N 3.36Å; I903-M927 HydrophobicContact CB-CG 4.42Å; I903-M927 HydrophobicContact CD1-CB 3.98Å; I903-M927 HydrophobicContact CD1-CG 3.94Å; I903-M927 HydrophobicContact CG1-CB 4.35Å; I903-M927 HydrophobicContact CG1-CG 4.22Å; I903-F929 HydrophobicContact CD1-CZ 3.96Å
904	S	80.8	Confident	70.5	Confident	49 Å²	49	92 Å²	92	34%	0.343	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.9	175.9	63	0	0	0	0	111.2	R922 T923	S904-R922 PolarHBondContact OG-NH1 3Å; S904-T923 WeakPolarHBondContact CA-O 3.34Å
905	E	79.9	Confident	70.5	Confident	71 Å²	71	87.3 Å²	87.3	33%	0.332	45%	0.453	S	S	.	.			trans	-81.9	176.3	171.1	-73	158.1	-157.5	0	0	111.3	R922 T923 R925	E905-R922 WeakPolarHBondContact O-CD 3.07Å; E905-T923 PolarHBondContact N-O 3.38Å; E905-T923 WeakPolarHBondContact OE2-CB 3.45Å; E905-T923 PolarHBondContact OE2-OG1 3.45Å; E905-R925 IonicContact OE1-CZ 2.67Å; E905-R925 IonicContact OE1-NE 3.14Å; E905-R925 PolarHBondContact OE1-NE 3.4Å; E905-R925 IonicContact OE1-NH2 2.79Å; E905-R925 PolarHBondContact OE1-NH2 3.25Å
906	D	82	Confident	70.9	Confident	152 Å²	152	83.5 Å²	83.5	81%	0.813	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-70.2	165.4	178.3	-71.1	-57.3	0	0	0	113.5	R922	D906-R922 WeakPolarHBondContact O-CB 3.5Å
907	W	82.8	Confident	71.6	Confident	56 Å²	56	83.8 Å²	83.8	21%	0.212	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-80.1	122.4	-178.1	-70.5	100.4	0	0	0	112.6	Q920 R922 E949 R952	W907-Q920 HydrophobicContact CE3-CB 3.88Å; W907-R922 HydrophobicContact CD2-CB 4.07Å; W907-R922 HydrophobicContact CD2-CG 3.93Å; W907-R922 HydrophobicContact CE3-CB 3.89Å; W907-R922 HydrophobicContact CE3-CG 3.81Å; W907-R922 HydrophobicContact CH2-CG 3.93Å; W907-R922 HydrophobicContact CZ2-CG 4.04Å; W907-R922 VanDerWaalsContact CZ2-NE 3.28Å; W907-R922 HydrophobicContact CZ3-CB 4.29Å; W907-R922 HydrophobicContact CZ3-CG 3.8Å; W907-E949 HydrophobicContact CH2-CB 4.37Å; W907-E949 WeakPolarHBondContact CH2-O 3.34Å; W907-R952 HydrophobicContact CD2-CG 4.23Å; W907-R952 HydrophobicContact CE3-CG 3.92Å; W907-R952 HydrophobicContact CH2-CB 3.84Å; W907-R952 HydrophobicContact CH2-CG 3.83Å; W907-R952 HydrophobicContact CZ2-CB 4.33Å; W907-R952 HydrophobicContact CZ2-CG 4.13Å; W907-R952 HydrophobicContact CZ3-CB 4.08Å; W907-R952 HydrophobicContact CZ3-CG 3.73Å
908	E	79.2	Confident	72.4	Confident	98 Å²	98	80.9 Å²	80.9	46%	0.458	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-59	159.5	172.5	-65.2	178.8	167.9	0	0	112.7	Q920 I921	E908-Q920 WeakPolarHBondContact O-CB 3.25Å; E908-Q920 VanDerWaalsContact O-CG 3.22Å; E908-Q920 WeakPolarHBondContact O-CG 3.21Å; E908-Q920 PolarHBondContact O-NE2 3.19Å; E908-I921 WeakPolarHBondContact CB-O 3.48Å; E908-I921 WeakPolarHBondContact CG-O 3.44Å; E908-I921 PolarHBondContact N-O 3.48Å
909	H	74.1	Confident	73.1	Confident	178 Å²	178	81 Å²	81	82%	0.824	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-58.7	150.5	173.9	-67.5	87	0	0	0	112.3	T911	H909-T911 PolarHBondContact O-N 2.84Å
910	C	79.5	Confident	73.9	Confident	32 Å²	32	74.6 Å²	74.6	22%	0.216	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-63.8	121.6	-175.5	-171.1	0	0	0	0	111.8	K912 Q920 C954	C910-K912 PolarHBondContact O-N 3.22Å; C910-K912 PolarHBondContact SG-O 3.12Å; C910-Q920 HydrophobicContact CB-CG 4.35Å; C910-C954 VanDerWaalsContact CA-SG 3.53Å; C910-C954 HydrophobicContact CB-CB 3.95Å; C910-C954 WeakPolarHBondContact CB-SG 3.45Å; C910-C954 WeakPolarHBondContact SG-CB 3.33Å; C910-C954 CovalentContact SG-SG 2.02Å; C910-C954 PolarHBondContact SG-SG 3.4Å
911	T	77.4	Confident	74.3	Confident	55 Å²	55	76.2 Å²	76.2	34%	0.337	40%	0.399	S	S	.	.	S	Bend	trans	-61.3	-11.7	-175.1	50.1	0	0	0	0	115.6	H909 F919	H909-T911 PolarHBondContact O-N 2.84Å; T911-F919 WeakPolarHBondContact CB-O 3.37Å; T911-F919 HydrophobicContact CG2-CD2 4.05Å; T911-F919 HydrophobicContact CG2-CE2 3.8Å; T911-F919 HydrophobicContact CG2-CZ 4.39Å; T911-F919 VanDerWaalsContact CG2-O 3.31Å; T911-F919 WeakPolarHBondContact CG2-O 3.41Å; T911-F919 PolarHBondContact N-O 3.15Å; T911-F919 PolarHBondContact OG1-N 3.39Å; T911-F919 PolarHBondContact OG1-O 3.28Å
912	K	60	Low	74.6	Confident	121 Å²	121	72.6 Å²	72.6	53%	0.526	38%	0.38	S	S	.	.			trans	-143.2	135.4	171.5	-64.7	-64.1	160.2	-156.2	0	111.2	C910 C914	C910-K912 PolarHBondContact O-N 3.22Å; C910-K912 PolarHBondContact SG-O 3.12Å; K912-C914 WeakPolarHBondContact CB-O 3.17Å
913	T	63.4	Low	74.3	Confident	121 Å²	121	73.2 Å²	73.2	74%	0.742	39%	0.39	S	S	*	.	S	Bend	trans	-80.9	-27.1	170.3	46.6	0	0	0	0	112.4	T957	T913-T957 PolarHBondContact O-OG1 2.78Å
914	C	63.5	Low	74.5	Confident	37 Å²	37	71.1 Å²	71.1	25%	0.25	38%	0.38	C	S	.	.	S	Bend	trans	-133.7	144.7	168.2	71.2	0	0	0	0	110.9	K912 T957 C959	K912-C914 WeakPolarHBondContact CB-O 3.17Å; C914-T957 CarbonylContact C-O 3.38Å; C914-T957 WeakPolarHBondContact CA-O 3.44Å; C914-T957 WeakPolarHBondContact CA-OG1 3.38Å; C914-T957 WeakPolarHBondContact CB-O 3.4Å; C914-T957 WeakPolarHBondContact CB-OG1 3.11Å; C914-C959 HydrophobicContact CB-CB 4.31Å; C914-C959 WeakPolarHBondContact CB-SG 3.34Å; C914-C959 PolarHBondContact O-SG 3.34Å; C914-C959 WeakPolarHBondContact SG-CB 3.29Å; C914-C959 CovalentContact SG-SG 2.04Å; C914-C959 PolarHBondContact SG-SG 3.32Å
915	G	62	Low	74.3	Confident	17 Å²	17	73.5 Å²	73.5	18%	0.175	38%	0.381	C	S	.	.	S	Bend	trans	130.2	139.7	172.4	0	0	0	0	0	110.9	L917 G918 N955 T957	G915-L917 PolarHBondContact O-N 2.94Å; G915-G918 PolarHBondContact O-N 3.09Å; G915-N955 VanDerWaalsContact O-O 3.06Å; G915-T957 VanDerWaalsContact CA-O 3.32Å; G915-T957 WeakPolarHBondContact CA-O 3.3Å; G915-T957 PolarHBondContact N-O 3.07Å
916	S	65.2	Low	74.4	Confident	82 Å²	82	70.2 Å²	70.2	57%	0.573	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-10	173.5	54.1	0	0	0	0	114.2	R956	S916-R956 PolarHBondContact O-NE 2.9Å; S916-R956 VanDerWaalsContact O-NE 3.13Å
917	L	69	Low	74	Confident	138 Å²	138	63.2 Å²	63.2	72%	0.723	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	15.6	-175.8	-57	174.9	0	0	0	114	G915 F919	G915-L917 PolarHBondContact O-N 2.94Å; L917-F919 WeakPolarHBondContact O-CD1 3.39Å; L917-F919 WeakPolarHBondContact O-CE1 3.46Å
918	G	74	Confident	73.4	Confident	3 Å²	3	60.8 Å²	60.8	3%	0.031	32%	0.32	C	S	.	.			trans	-66.9	139.8	170.1	0	0	0	0	0	112.5	G915 P953 C954	G915-G918 PolarHBondContact O-N 3.09Å; G918-P953 WeakPolarHBondContact O-CA 3.39Å; G918-C954 CarbonylContact C-O 3.4Å; G918-C954 WeakPolarHBondContact CA-O 3.42Å; G918-C954 PolarHBondContact O-N 2.94Å
919	F	76.6	Confident	72.8	Confident	53 Å²	53	60.5 Å²	60.5	23%	0.232	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.9	173.4	50.2	-88.2	0	0	0	112.4	T911 L917 I921 R951 R952 C954	T911-F919 WeakPolarHBondContact CB-O 3.37Å; T911-F919 HydrophobicContact CG2-CD2 4.05Å; T911-F919 HydrophobicContact CG2-CE2 3.8Å; T911-F919 HydrophobicContact CG2-CZ 4.39Å; T911-F919 VanDerWaalsContact CG2-O 3.31Å; T911-F919 WeakPolarHBondContact CG2-O 3.41Å; T911-F919 PolarHBondContact N-O 3.15Å; T911-F919 PolarHBondContact OG1-N 3.39Å; T911-F919 PolarHBondContact OG1-O 3.28Å; L917-F919 WeakPolarHBondContact O-CD1 3.39Å; L917-F919 WeakPolarHBondContact O-CE1 3.46Å; F919-I921 HydrophobicContact CD2-CD1 3.99Å; F919-I921 HydrophobicContact CD2-CG1 4Å; F919-I921 HydrophobicContact CE2-CD1 3.81Å; F919-I921 HydrophobicContact CE2-CG1 4.34Å; F919-R951 HydrophobicContact CB-CG 4.11Å; F919-R951 HydrophobicContact CD2-CG 4.06Å; F919-R951 VanDerWaalsContact CD2-NE 3.26Å; F919-R951 HydrophobicContact CG-CG 4.28Å; F919-R951 VanDerWaalsContact CG-NE 3.33Å; F919-R952 CarbonylContact C-O 3.44Å; F919-R952 WeakPolarHBondContact CA-O 3.48Å; F919-R952 VanDerWaalsContact CB-O 3.28Å; F919-R952 WeakPolarHBondContact CB-O 3.38Å; F919-C954 WeakPolarHBondContact CA-SG 3.25Å; F919-C954 PolarHBondContact N-SG 3.12Å
920	Q	79.8	Confident	72.2	Confident	36 Å²	36	55.2 Å²	55.2	17%	0.168	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	150.2	163.8	-61.4	-175.3	-79.9	0	0	108.8	W907 E908 C910 R951 R952 C954	W907-Q920 HydrophobicContact CE3-CB 3.88Å; E908-Q920 WeakPolarHBondContact O-CB 3.25Å; E908-Q920 VanDerWaalsContact O-CG 3.22Å; E908-Q920 WeakPolarHBondContact O-CG 3.21Å; E908-Q920 PolarHBondContact O-NE2 3.19Å; C910-Q920 HydrophobicContact CB-CG 4.35Å; Q920-R951 WeakPolarHBondContact O-CA 3.28Å; Q920-R952 HydrophobicContact CB-CG 4.14Å; Q920-R952 PolarHBondContact N-O 3.37Å; Q920-R952 PolarHBondContact O-N 3.45Å; Q920-R952 VanDerWaalsContact OE1-CZ 3.28Å; Q920-C954 HydrophobicContact CG-CB 4.19Å; Q920-C954 PolarHBondContact N-SG 3.18Å; Q920-C954 VanDerWaalsContact N-SG 3.4Å
921	I	76.4	Confident	71.2	Confident	59 Å²	59	62.1 Å²	62.1	30%	0.303	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	156.1	173.3	-73.5	172.2	0	0	0	108.2	E908 F919 S950 R951	E908-I921 WeakPolarHBondContact CB-O 3.48Å; E908-I921 WeakPolarHBondContact CG-O 3.44Å; E908-I921 PolarHBondContact N-O 3.48Å; F919-I921 HydrophobicContact CD2-CD1 3.99Å; F919-I921 HydrophobicContact CD2-CG1 4Å; F919-I921 HydrophobicContact CE2-CD1 3.81Å; F919-I921 HydrophobicContact CE2-CG1 4.34Å; I921-S950 WeakPolarHBondContact CA-O 3.37Å; I921-R951 HydrophobicContact CG1-CB 4.29Å; I921-R951 HydrophobicContact CG1-CG 4.03Å
922	R	80.4	Confident	70.2	Confident	49 Å²	49	66 Å²	66	19%	0.185	34%	0.342	C	S	.	.			trans	-140.8	146	163.6	63.4	173.3	172.9	167.5	0.5	110.4	S904 E905 D906 W907 V924 E949 S950	S904-R922 PolarHBondContact OG-NH1 3Å; E905-R922 WeakPolarHBondContact O-CD 3.07Å; D906-R922 WeakPolarHBondContact O-CB 3.5Å; W907-R922 HydrophobicContact CD2-CB 4.07Å; W907-R922 HydrophobicContact CD2-CG 3.93Å; W907-R922 HydrophobicContact CE3-CB 3.89Å; W907-R922 HydrophobicContact CE3-CG 3.81Å; W907-R922 HydrophobicContact CH2-CG 3.93Å; W907-R922 HydrophobicContact CZ2-CG 4.04Å; W907-R922 VanDerWaalsContact CZ2-NE 3.28Å; W907-R922 HydrophobicContact CZ3-CB 4.29Å; W907-R922 HydrophobicContact CZ3-CG 3.8Å; R922-V924 HydrophobicContact CG-CG2 4.1Å; R922-V924 PolarHBondContact O-N 2.74Å; R922-E949 PolarHBondContact NE-O 2.72Å; R922-E949 PolarHBondContact NH2-O 3.42Å; R922-S950 PolarHBondContact N-O 3.4Å; R922-S950 VanDerWaalsContact N-O 3.1Å; R922-S950 WeakPolarHBondContact O-CB 3.33Å
923	T	75.8	Confident	69.9	Low	67 Å²	67	68 Å²	68	41%	0.411	36%	0.358	S	S	.	.			trans	-71	126.5	176.4	-21.9	0	0	0	0	109.5	S904 E905	S904-T923 WeakPolarHBondContact CA-O 3.34Å; E905-T923 PolarHBondContact N-O 3.38Å; E905-T923 WeakPolarHBondContact OE2-CB 3.45Å; E905-T923 PolarHBondContact OE2-OG1 3.45Å
924	V	83.7	Confident	69.7	Low	20 Å²	20	65.9 Å²	65.9	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	103.6	176.5	-178.4	0	0	0	0	107.9	W902 I903 R922 K947 P948	W902-V924 HydrophobicContact CE3-CG1 3.9Å; W902-V924 HydrophobicContact CZ3-CG1 4.2Å; I903-V924 CarbonylContact O-C 3.52Å; I903-V924 WeakPolarHBondContact O-CA 3.22Å; R922-V924 HydrophobicContact CG-CG2 4.1Å; R922-V924 PolarHBondContact O-N 2.74Å; V924-K947 HydrophobicContact CG1-CG 3.99Å; V924-P948 HydrophobicContact CG1-CB 3.95Å; V924-P948 HydrophobicContact CG1-CG 4.06Å; V924-P948 HydrophobicContact CG2-CB 4.29Å
925	R	76.8	Confident	69.8	Low	98 Å²	98	67 Å²	67	37%	0.37	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.9	-172.3	47.8	-179.6	164.6	128.8	-11.7	111.7	I903 E905 M927	I903-R925 PolarHBondContact N-O 3.42Å; I903-R925 PolarHBondContact O-N 3.36Å; E905-R925 IonicContact OE1-CZ 2.67Å; E905-R925 IonicContact OE1-NE 3.14Å; E905-R925 PolarHBondContact OE1-NE 3.4Å; E905-R925 IonicContact OE1-NH2 2.79Å; E905-R925 PolarHBondContact OE1-NH2 3.25Å; R925-M927 HydrophobicContact CG-CG 4.15Å; R925-M927 HydrophobicContact CG-SD 4.16Å
926	C	80.6	Confident	69.9	Low	3 Å²	3	70 Å²	70	2%	0.02	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119	172.3	175.3	0	0	0	0	107.7	W902 I938 C943	W902-C926 HydrophobicContact CE3-CB 4.01Å; W902-C926 HydrophobicContact CH2-CB 4.36Å; W902-C926 HydrophobicContact CZ3-CB 3.89Å; C926-I938 WeakPolarHBondContact CB-O 3.31Å; C926-I938 PolarHBondContact O-N 2.84Å; C926-C943 WeakPolarHBondContact CA-SG 3.31Å; C926-C943 HydrophobicContact CB-CB 3.93Å; C926-C943 WeakPolarHBondContact CB-SG 3.37Å; C926-C943 WeakPolarHBondContact SG-CB 3.11Å; C926-C943 PolarHBondContact SG-N 3.36Å; C926-C943 VanDerWaalsContact SG-N 3.4Å; C926-C943 CovalentContact SG-SG 2.03Å; C926-C943 PolarHBondContact SG-SG 3.11Å
927	M	74	Confident	70	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.025	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.8	-173.7	-64.9	-68	-63.9	0	0	110.4	P900 Q901 I903 R925 S935 R936 S937	P900-M927 WeakPolarHBondContact CA-O 2.98Å; Q901-M927 PolarHBondContact N-O 3.09Å; Q901-M927 PolarHBondContact O-N 2.53Å; I903-M927 HydrophobicContact CB-CG 4.42Å; I903-M927 HydrophobicContact CD1-CB 3.98Å; I903-M927 HydrophobicContact CD1-CG 3.94Å; I903-M927 HydrophobicContact CG1-CB 4.35Å; I903-M927 HydrophobicContact CG1-CG 4.22Å; R925-M927 HydrophobicContact CG-CG 4.15Å; R925-M927 HydrophobicContact CG-SD 4.16Å; M927-S935 WeakPolarHBondContact CE-O 3.46Å; M927-S935 VanDerWaalsContact CE-OG 3.27Å; M927-S935 WeakPolarHBondContact CE-OG 3.26Å; M927-R936 CarbonylContact C-O 3.6Å; M927-R936 WeakPolarHBondContact CA-O 3.41Å; M927-S937 VanDerWaalsContact SD-CA 3.56Å
928	Q	70.5	Confident	70.2	Confident	5 Å²	5	65.2 Å²	65.2	2%	0.023	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.3	173.3	-162.1	178.2	22	0	0	109.1	T898 P900 S935 R936 I938	T898-Q928 PolarHBondContact O-NE2 3.19Å; T898-Q928 WeakPolarHBondContact OG1-CG 3.39Å; P900-Q928 HydrophobicContact CG-CG 4.34Å; Q928-S935 CarbonylContact O-C 3.27Å; Q928-S935 WeakPolarHBondContact O-CA 3.17Å; Q928-R936 HydrophobicContact CB-CG 4Å; Q928-R936 PolarHBondContact N-O 2.95Å; Q928-R936 PolarHBondContact O-N 3.04Å; Q928-R936 VanDerWaalsContact OE1-CZ 3.25Å; Q928-I938 HydrophobicContact CB-CD1 3.73Å; Q928-I938 HydrophobicContact CB-CG1 4.16Å; Q928-I938 HydrophobicContact CG-CD1 4.34Å
929	F	65.3	Low	69.7	Low	92 Å²	92	70.8 Å²	70.8	40%	0.404	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.2	175.8	-61	-86	0	0	0	109.6	T898 I903	T898-F929 WeakPolarHBondContact CB-O 3.16Å; T898-F929 PolarHBondContact OG1-O 2.8Å; I903-F929 HydrophobicContact CD1-CZ 3.96Å
930	L	63.3	Low	69.3	Low	67 Å²	67	71 Å²	71	35%	0.351	37%	0.368	S	S	.	.			trans	-85.6	167.9	172.9	-59.7	166	0	0	0	109.3	D932 T934	L930-D932 VanDerWaalsContact C-N 3.26Å; L930-D932 PolarHBondContact O-N 2.92Å; L930-T934 WeakPolarHBondContact CB-O 3.37Å; L930-T934 WeakPolarHBondContact CG-O 3.47Å; L930-T934 PolarHBondContact N-O 2.83Å
931	H	57.6	Low	68.7	Low	176 Å²	176	76.2 Å²	76.2	82%	0.815	39%	0.39	S	S	*	.	S	Bend	trans	-66.9	-24.3	179.1	-89.4	23.7	0	0	0	113.8	D933	H931-D933 VanDerWaalsContact C-N 3.26Å; H931-D933 PolarHBondContact O-N 2.83Å
932	D	55.8	Low	68.2	Low	137 Å²	137	77.9 Å²	77.9	73%	0.733	39%	0.393	S	S	*	.	S	Bend	trans	-90.5	42.1	-178.7	-48.9	-50.1	0	0	0	112.2	L930 T934	L930-D932 VanDerWaalsContact C-N 3.26Å; L930-D932 PolarHBondContact O-N 2.92Å; D932-T934 PolarHBondContact O-N 3.36Å; D932-T934 PolarHBondContact O-OG1 2.8Å
933	D	53.8	Low	67.9	Low	163 Å²	163	76.2 Å²	76.2	87%	0.872	39%	0.389	S	S	*	.	S	Bend	trans	49.2	6.5	-175.4	-86.1	-36.4	0	0	0	117.3	H931	H931-D933 VanDerWaalsContact C-N 3.26Å; H931-D933 PolarHBondContact O-N 2.83Å
934	T	60.3	Low	67.4	Low	77 Å²	77	78 Å²	78	47%	0.472	40%	0.404	S	S	.	.			trans	-91.4	126.4	-175.1	39.7	0	0	0	0	111.1	L930 D932	L930-T934 WeakPolarHBondContact CB-O 3.37Å; L930-T934 WeakPolarHBondContact CG-O 3.47Å; L930-T934 PolarHBondContact N-O 2.83Å; D932-T934 PolarHBondContact O-N 3.36Å; D932-T934 PolarHBondContact O-OG1 2.8Å
935	S	64.6	Low	66.6	Low	61 Å²	61	80 Å²	80	43%	0.427	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.8	-179	66.6	0	0	0	0	111.9	M927 Q928	M927-S935 WeakPolarHBondContact CE-O 3.46Å; M927-S935 VanDerWaalsContact CE-OG 3.27Å; M927-S935 WeakPolarHBondContact CE-OG 3.26Å; Q928-S935 CarbonylContact O-C 3.27Å; Q928-S935 WeakPolarHBondContact O-CA 3.17Å
936	R	65.1	Low	66.3	Low	79 Å²	79	84.4 Å²	84.4	30%	0.298	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.9	-179.1	66.9	176.6	-172.1	-175.7	1.3	112.7	M927 Q928 I938	M927-R936 CarbonylContact C-O 3.6Å; M927-R936 WeakPolarHBondContact CA-O 3.41Å; Q928-R936 HydrophobicContact CB-CG 4Å; Q928-R936 PolarHBondContact N-O 2.95Å; Q928-R936 PolarHBondContact O-N 3.04Å; Q928-R936 VanDerWaalsContact OE1-CZ 3.25Å; R936-I938 HydrophobicContact CG-CG2 4.3Å
937	S	67.4	Low	66.2	Low	86 Å²	86	89.3 Å²	89.3	60%	0.601	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	129.7	170.9	174.8	0	0	0	0	110.5	M927	M927-S937 VanDerWaalsContact SD-CA 3.56Å
938	I	71.5	Confident	66.5	Low	33 Å²	33	90.9 Å²	90.9	17%	0.169	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	168.2	178.9	47.8	161.9	0	0	0	112.1	P900 C926 Q928 R936 S940	P900-I938 HydrophobicContact CB-CD1 3.74Å; P900-I938 HydrophobicContact CG-CD1 3.43Å; P900-I938 VanDerWaalsContact CG-CD1 3.43Å; C926-I938 WeakPolarHBondContact CB-O 3.31Å; C926-I938 PolarHBondContact O-N 2.84Å; Q928-I938 HydrophobicContact CB-CD1 3.73Å; Q928-I938 HydrophobicContact CB-CG1 4.16Å; Q928-I938 HydrophobicContact CG-CD1 4.34Å; R936-I938 HydrophobicContact CG-CG2 4.3Å; I938-S940 PolarHBondContact O-N 2.91Å
939	H	64.7	Low	66.7	Low	120 Å²	120	97 Å²	97	56%	0.556	51%	0.514	S	S	*	.			trans	-68.7	130.9	-170.7	-166.4	-69.9	0	0	0	112.4	K941 Y942	H939-K941 VanDerWaalsContact C-N 3.3Å; H939-K941 PolarHBondContact O-N 2.72Å; H939-Y942 HydrophobicContact CB-CD2 4.1Å; H939-Y942 HydrophobicContact CB-CE2 4.22Å; H939-Y942 WeakPolarHBondContact O-CD2 3.41Å; H939-Y942 PolarHBondContact O-N 2.89Å
940	S	67.8	Low	67.2	Low	57 Å²	57	94.7 Å²	94.7	40%	0.399	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-31.6	-52.8	-177.6	52.7	0	0	0	0	116.2	I938 Y942 C943	I938-S940 PolarHBondContact O-N 2.91Å; S940-Y942 PolarHBondContact O-N 2.76Å; S940-C943 PolarHBondContact O-N 2.94Å
941	K	66.8	Low	68	Low	147 Å²	147	98.6 Å²	98.6	64%	0.639	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-55	-8.3	-178.6	76.8	170.6	-166.3	167	0	116.8	H939	H939-K941 VanDerWaalsContact C-N 3.3Å; H939-K941 PolarHBondContact O-N 2.72Å
942	Y	65.9	Low	69	Low	94 Å²	94	95.1 Å²	95.1	37%	0.369	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-101.2	-11	177.9	-61.3	-62.8	0	0	0	113.4	P900 H939 S940	P900-Y942 WeakPolarHBondContact CG-O 3.36Å; H939-Y942 HydrophobicContact CB-CD2 4.1Å; H939-Y942 HydrophobicContact CB-CE2 4.22Å; H939-Y942 WeakPolarHBondContact O-CD2 3.41Å; H939-Y942 PolarHBondContact O-N 2.89Å; S940-Y942 PolarHBondContact O-N 2.76Å
943	C	74.6	Confident	70.1	Confident	13 Å²	13	92.6 Å²	92.6	9%	0.088	49%	0.49	C	S	.	.	S	Bend	trans	-83.9	133.8	166.4	-78.9	0	0	0	0	109.8	P900 Q901 W902 C926 S940	P900-C943 HydrophobicContact CB-CB 4.48Å; P900-C943 VanDerWaalsContact CB-SG 3.5Å; Q901-C943 PolarHBondContact O-SG 3.38Å; W902-C943 HydrophobicContact CD2-CB 3.92Å; W902-C943 HydrophobicContact CG-CB 4.1Å; W902-C943 HydrophobicContact CZ2-CB 4.11Å; C926-C943 WeakPolarHBondContact CA-SG 3.31Å; C926-C943 HydrophobicContact CB-CB 3.93Å; C926-C943 WeakPolarHBondContact CB-SG 3.37Å; C926-C943 WeakPolarHBondContact SG-CB 3.11Å; C926-C943 PolarHBondContact SG-N 3.36Å; C926-C943 VanDerWaalsContact SG-N 3.4Å; C926-C943 CovalentContact SG-SG 2.03Å; C926-C943 PolarHBondContact SG-SG 3.11Å; S940-C943 PolarHBondContact O-N 2.94Å
944	S	64.7	Low	71	Confident	104 Å²	104	85.7 Å²	85.7	73%	0.727	46%	0.455	S	S	*	.			trans	-96.6	146.6	174.4	-60.7	0	0	0	0	110.4
945	G	68.3	Low	71.2	Confident	64 Å²	64	86.5 Å²	86.5	66%	0.66	46%	0.456	S	S	*	.	S	Bend	trans	99.3	163.7	-173.2	0	0	0	0	0	113.5	W902	W902-G945 PolarHBondContact NE1-O 2.92Å
946	E	69.1	Low	71.1	Confident	190 Å²	190	91.7 Å²	91.7	89%	0.888	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-63.1	139	-177.5	-62.8	-163.6	144.1	0	0	111.8	P948	E946-P948 WeakPolarHBondContact O-CD 3.37Å
947	K	78.9	Confident	71	Confident	106 Å²	106	91.6 Å²	91.6	46%	0.461	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-79.4	125.5	179.5	-175.4	-165.6	174.8	-153.4	0	109.8	W902 V924 S950	W902-K947 HydrophobicContact CD2-CG 4.23Å; W902-K947 HydrophobicContact CE3-CG 4.15Å; W902-K947 HydrophobicContact CH2-CB 4.17Å; W902-K947 HydrophobicContact CH2-CD 3.8Å; W902-K947 HydrophobicContact CH2-CG 3.59Å; W902-K947 HydrophobicContact CZ2-CB 3.75Å; W902-K947 HydrophobicContact CZ2-CD 4.25Å; W902-K947 HydrophobicContact CZ2-CG 3.69Å; W902-K947 HydrophobicContact CZ3-CD 4.18Å; W902-K947 HydrophobicContact CZ3-CG 3.84Å; V924-K947 HydrophobicContact CG1-CG 3.99Å; K947-S950 PolarHBondContact NZ-OG 3.35Å
948	P	81.5	Confident	70.6	Confident	38 Å²	38	93.7 Å²	93.7	25%	0.247	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-54.2	141.9	171.6	-25.8	33.7	0	0	0	113.4	W902 V924 E946 S950	W902-P948 HydrophobicContact CB-CG 4.35Å; V924-P948 HydrophobicContact CG1-CB 3.95Å; V924-P948 HydrophobicContact CG1-CG 4.06Å; V924-P948 HydrophobicContact CG2-CB 4.29Å; E946-P948 WeakPolarHBondContact O-CD 3.37Å; P948-S950 PolarHBondContact O-N 3.26Å
949	E	73.9	Confident	69.9	Low	134 Å²	134	95.5 Å²	95.5	63%	0.626	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-57.2	129.3	177.5	-66.6	-166.3	142.1	0	0	111.7	W907 R922	W907-E949 HydrophobicContact CH2-CB 4.37Å; W907-E949 WeakPolarHBondContact CH2-O 3.34Å; R922-E949 PolarHBondContact NE-O 2.72Å; R922-E949 PolarHBondContact NH2-O 3.42Å
950	S	75.3	Confident	69.7	Low	43 Å²	43	95 Å²	95	30%	0.301	51%	0.508	S	S	.	.			trans	-105.3	2.8	179.5	57.6	0	0	0	0	114.5	I921 R922 K947 P948	I921-S950 WeakPolarHBondContact CA-O 3.37Å; R922-S950 PolarHBondContact N-O 3.4Å; R922-S950 VanDerWaalsContact N-O 3.1Å; R922-S950 WeakPolarHBondContact O-CB 3.33Å; K947-S950 PolarHBondContact NZ-OG 3.35Å; P948-S950 PolarHBondContact O-N 3.26Å
951	R	79.6	Confident	69.1	Low	149 Å²	149	94.9 Å²	94.9	56%	0.562	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.4	126.4	179.8	-173.5	178.7	-179.4	-155.2	1.7	111.4	F919 Q920 I921	F919-R951 HydrophobicContact CB-CG 4.11Å; F919-R951 HydrophobicContact CD2-CG 4.06Å; F919-R951 VanDerWaalsContact CD2-NE 3.26Å; F919-R951 HydrophobicContact CG-CG 4.28Å; F919-R951 VanDerWaalsContact CG-NE 3.33Å; Q920-R951 WeakPolarHBondContact O-CA 3.28Å; I921-R951 HydrophobicContact CG1-CB 4.29Å; I921-R951 HydrophobicContact CG1-CG 4.03Å
952	R	79.9	Confident	68.8	Low	102 Å²	102	94.7 Å²	94.7	39%	0.385	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.1	176.6	72.8	-179.6	-173.7	-174.2	1	112	W907 F919 Q920	W907-R952 HydrophobicContact CD2-CG 4.23Å; W907-R952 HydrophobicContact CE3-CG 3.92Å; W907-R952 HydrophobicContact CH2-CB 3.84Å; W907-R952 HydrophobicContact CH2-CG 3.83Å; W907-R952 HydrophobicContact CZ2-CB 4.33Å; W907-R952 HydrophobicContact CZ2-CG 4.13Å; W907-R952 HydrophobicContact CZ3-CB 4.08Å; W907-R952 HydrophobicContact CZ3-CG 3.73Å; F919-R952 CarbonylContact C-O 3.44Å; F919-R952 WeakPolarHBondContact CA-O 3.48Å; F919-R952 VanDerWaalsContact CB-O 3.28Å; F919-R952 WeakPolarHBondContact CB-O 3.38Å; Q920-R952 HydrophobicContact CB-CG 4.14Å; Q920-R952 PolarHBondContact N-O 3.37Å; Q920-R952 PolarHBondContact O-N 3.45Å; Q920-R952 VanDerWaalsContact OE1-CZ 3.28Å
953	P	77.7	Confident	69	Low	84 Å²	84	92.2 Å²	92.2	55%	0.545	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	154.7	179.7	29.9	-35.4	0	0	0	113.2	G918	G918-P953 WeakPolarHBondContact O-CA 3.39Å
954	C	73.3	Confident	68.4	Low	19 Å²	19	99.1 Å²	99.1	13%	0.128	53%	0.526	C	S	.	.			trans	-155.1	165.8	175.7	55.7	0	0	0	0	112.3	C910 G918 F919 Q920	C910-C954 VanDerWaalsContact CA-SG 3.53Å; C910-C954 HydrophobicContact CB-CB 3.95Å; C910-C954 WeakPolarHBondContact CB-SG 3.45Å; C910-C954 WeakPolarHBondContact SG-CB 3.33Å; C910-C954 CovalentContact SG-SG 2.02Å; C910-C954 PolarHBondContact SG-SG 3.4Å; G918-C954 CarbonylContact C-O 3.4Å; G918-C954 WeakPolarHBondContact CA-O 3.42Å; G918-C954 PolarHBondContact O-N 2.94Å; F919-C954 WeakPolarHBondContact CA-SG 3.25Å; F919-C954 PolarHBondContact N-SG 3.12Å; Q920-C954 HydrophobicContact CG-CB 4.19Å; Q920-C954 PolarHBondContact N-SG 3.18Å; Q920-C954 VanDerWaalsContact N-SG 3.4Å
955	N	63.6	Low	68.6	Low	93 Å²	93	97.2 Å²	97.2	50%	0.497	51%	0.51	S	S	.	.			trans	34.3	84.1	170.5	-61.3	2.5	0	0	0	117.3	G915	G915-N955 VanDerWaalsContact O-O 3.06Å
956	R	63.7	Low	68.6	Low	170 Å²	170	95.8 Å²	95.8	64%	0.642	50%	0.496	S	S	*	.			trans	-105.3	63.9	-172.3	-64.5	-172.4	160.6	164.1	-0.7	115.4	S916	S916-R956 PolarHBondContact O-NE 2.9Å; S916-R956 VanDerWaalsContact O-NE 3.13Å
957	T	62	Low	68.8	Low	78 Å²	78	89.7 Å²	89.7	48%	0.479	48%	0.484	S	S	.	.			trans	-109.8	146	177.2	49.3	0	0	0	0	112.3	T913 C914 G915	T913-T957 PolarHBondContact O-OG1 2.78Å; C914-T957 CarbonylContact C-O 3.38Å; C914-T957 WeakPolarHBondContact CA-O 3.44Å; C914-T957 WeakPolarHBondContact CA-OG1 3.38Å; C914-T957 WeakPolarHBondContact CB-O 3.4Å; C914-T957 WeakPolarHBondContact CB-OG1 3.11Å; G915-T957 VanDerWaalsContact CA-O 3.32Å; G915-T957 WeakPolarHBondContact CA-O 3.3Å; G915-T957 PolarHBondContact N-O 3.07Å
958	P	59.8	Low	68.8	Low	130 Å²	130	87.9 Å²	87.9	84%	0.844	47%	0.474	S	S	*	.			trans	-66.7	157.5	-178.8	-23.8	35.8	0	0	0	115.3
959	C	57.4	Low	68.4	Low	70 Å²	70	88.8 Å²	88.8	47%	0.473	48%	0.481	S	S	.	.			trans	-123.7	150.3	179.5	-50.4	0	0	0	0	112.9	C914	C914-C959 HydrophobicContact CB-CB 4.31Å; C914-C959 WeakPolarHBondContact CB-SG 3.34Å; C914-C959 PolarHBondContact O-SG 3.34Å; C914-C959 WeakPolarHBondContact SG-CB 3.29Å; C914-C959 CovalentContact SG-SG 2.04Å; C914-C959 PolarHBondContact SG-SG 3.32Å
960	P	59	Low	68.4	Low	110 Å²	110	91 Å²	91	71%	0.714	49%	0.492	S	S	*	.			trans	-83.5	173.6	179.7	34.2	-36.6	0	0	0	115.3
961	A	56.3	Low	68.4	Low	54 Å²	54	90.7 Å²	90.7	45%	0.446	49%	0.489	S	S	.	.			trans	-106.8	152.6	-170.5	0	0	0	0	0	115.4	Y993	A961-Y993 PolarHBondContact O-N 3.1Å; A961-Y993 VanDerWaalsContact O-N 3.12Å
962	Q	60.4	Low	68.1	Low	144 Å²	144	87.4 Å²	87.4	67%	0.673	49%	0.489	S	S	*	.	B	Isolated β-bridge	trans	-140.3	157.6	-167.8	-67.3	179.3	-26.4	0	0	114.3	C992	Q962-C992 PolarHBondContact O-SG 2.69Å; Q962-C992 VanDerWaalsContact O-SG 3.32Å
963	W	69.7	Low	67.3	Low	42 Å²	42	85.1 Å²	85.1	16%	0.159	49%	0.486	C	S	.	.			trans	-63.6	161.9	178.6	-63.2	95.7	0	0	0	114	C986 D990 C992 G994 K996 P997	W963-C986 HydrophobicContact CD2-CB 3.94Å; W963-C986 HydrophobicContact CE3-CB 3.41Å; W963-C986 VanDerWaalsContact CE3-CB 3.41Å; W963-C986 HydrophobicContact CH2-CB 4.23Å; W963-C986 HydrophobicContact CZ3-CB 3.57Å; W963-D990 HydrophobicContact CH2-CB 4.11Å; W963-D990 WeakPolarHBondContact CH2-O 3.34Å; W963-D990 VanDerWaalsContact CH2-OD1 3.26Å; W963-D990 WeakPolarHBondContact CH2-OD1 3.08Å; W963-D990 WeakPolarHBondContact CZ2-O 3.45Å; W963-C992 HydrophobicContact CB-CB 4.48Å; W963-C992 HydrophobicContact CD2-CB 3.77Å; W963-C992 HydrophobicContact CG-CB 3.71Å; W963-C992 HydrophobicContact CZ2-CB 4.32Å; W963-C992 PolarHBondContact NE1-O 3.38Å; W963-G994 PolarHBondContact NE1-O 3.47Å; W963-K996 HydrophobicContact CE3-CG 4.23Å; W963-K996 HydrophobicContact CH2-CB 4.19Å; W963-K996 HydrophobicContact CH2-CD 3.8Å; W963-K996 HydrophobicContact CH2-CG 3.92Å; W963-K996 HydrophobicContact CZ2-CB 4.11Å; W963-K996 HydrophobicContact CZ2-CG 4.32Å; W963-K996 HydrophobicContact CZ3-CD 3.94Å; W963-K996 HydrophobicContact CZ3-CG 3.87Å; W963-P997 HydrophobicContact CB-CG 4.38Å
964	R	63	Low	66.7	Low	157 Å²	157	86.7 Å²	86.7	59%	0.592	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	143	173	-56.5	179.3	-167.6	-118.7	-8.2	111	V984 T985	R964-V984 WeakPolarHBondContact O-CA 3.29Å; R964-T985 WeakPolarHBondContact CA-O 3.28Å; R964-T985 WeakPolarHBondContact CB-O 2.97Å; R964-T985 PolarHBondContact N-O 3.03Å; R964-T985 PolarHBondContact O-N 3.32Å
965	T	67.5	Low	66.2	Low	64 Å²	64	88.3 Å²	88.3	39%	0.393	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.7	177.1	64.8	0	0	0	0	110.3	R982 V984 P997	T965-R982 PolarHBondContact OG1-NH1 2.9Å; T965-V984 HydrophobicContact CG2-CG1 4.12Å; T965-V984 HydrophobicContact CG2-CG2 3.97Å; T965-P997 HydrophobicContact CG2-CB 3.69Å; T965-P997 HydrophobicContact CG2-CG 3.95Å
966	G	68.6	Low	66.2	Low	34 Å²	34	85.5 Å²	85.5	35%	0.351	50%	0.503	S	S	.	.			trans	-80.6	-175.6	168.5	0	0	0	0	0	113	R982 P983	G966-R982 WeakPolarHBondContact O-CD 3.21Å; G966-P983 PolarHBondContact N-O 3.39Å
967	G	73.8	Confident	66.7	Low	62 Å²	62	83.1 Å²	83.1	64%	0.639	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-72.7	155.5	176	0	0	0	0	0	113.3	R982	G967-R982 WeakPolarHBondContact O-CA 3.18Å; G967-R982 WeakPolarHBondContact O-CB 3.44Å
968	W	78.7	Confident	67.2	Low	69 Å²	69	79.9 Å²	79.9	26%	0.261	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-75.7	145.9	172.9	-65.5	105.7	0	0	0	111.5	E980 R981 R982 R1001	W968-E980 HydrophobicContact CB-CB 4.32Å; W968-E980 HydrophobicContact CE3-CB 4.07Å; W968-R981 CarbonylContact C-O 3.34Å; W968-R981 WeakPolarHBondContact CA-O 3.06Å; W968-R981 VanDerWaalsContact CE3-C 3.48Å; W968-R982 HydrophobicContact CD2-CB 3.89Å; W968-R982 HydrophobicContact CD2-CG 3.94Å; W968-R982 VanDerWaalsContact CE2-CD 3.5Å; W968-R982 HydrophobicContact CE3-CB 3.75Å; W968-R982 HydrophobicContact CE3-CG 3.79Å; W968-R982 HydrophobicContact CG-CB 4.33Å; W968-R982 HydrophobicContact CH2-CG 3.83Å; W968-R982 HydrophobicContact CZ2-CG 3.99Å; W968-R982 VanDerWaalsContact CZ2-NE 3.28Å; W968-R982 HydrophobicContact CZ3-CB 4.16Å; W968-R982 HydrophobicContact CZ3-CG 3.72Å; W968-R1001 HydrophobicContact CD2-CG 4.09Å; W968-R1001 HydrophobicContact CE3-CG 3.88Å; W968-R1001 HydrophobicContact CH2-CB 3.79Å; W968-R1001 HydrophobicContact CH2-CG 3.81Å; W968-R1001 HydrophobicContact CZ2-CB 4.2Å; W968-R1001 HydrophobicContact CZ2-CG 3.99Å; W968-R1001 HydrophobicContact CZ3-CB 4.05Å; W968-R1001 HydrophobicContact CZ3-CG 3.76Å
969	S	72.5	Confident	68.1	Low	56 Å²	56	77.7 Å²	77.7	39%	0.392	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-66.5	168.3	168	71.5	0	0	0	0	111.2	E980 R981	S969-E980 WeakPolarHBondContact O-CG 3.12Å; S969-R981 PolarHBondContact N-O 3.18Å; S969-R981 PolarHBondContact OG-N 3.46Å
970	Q	73.7	Confident	68.7	Low	182 Å²	182	75.9 Å²	75.9	85%	0.85	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-60.3	152.2	164.2	-68.4	178.1	-15.3	0	0	110.8
971	C	76.9	Confident	69.5	Low	35 Å²	35	78.4 Å²	78.4	24%	0.236	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-63.3	140.1	175.1	-173.2	0	0	0	0	111	V973 E980 C1003	C971-V973 PolarHBondContact O-N 2.96Å; C971-E980 HydrophobicContact CB-CG 4.18Å; C971-C1003 WeakPolarHBondContact CA-SG 3.47Å; C971-C1003 HydrophobicContact CB-CB 3.85Å; C971-C1003 WeakPolarHBondContact CB-SG 3.35Å; C971-C1003 WeakPolarHBondContact SG-CB 3.34Å; C971-C1003 CovalentContact SG-SG 2.03Å; C971-C1003 PolarHBondContact SG-SG 3.16Å
972	S	72.2	Confident	70.2	Confident	81 Å²	81	78.4 Å²	78.4	57%	0.566	43%	0.43	S	S	*	.	S	Bend	trans	-71.8	-5.3	-175.3	68.5	0	0	0	0	115.7	G978 L979	S972-G978 VanDerWaalsContact OG-CA 3.31Å; S972-G978 WeakPolarHBondContact OG-CA 3.47Å; S972-L979 PolarHBondContact N-O 3.41Å; S972-L979 PolarHBondContact OG-N 2.53Å
973	V	64.1	Low	71	Confident	54 Å²	54	75.7 Å²	75.7	33%	0.327	43%	0.426	S	S	.	.			trans	-140.1	160.4	176.8	-52.9	0	0	0	0	111.1	C971 E977 P1005	C971-V973 PolarHBondContact O-N 2.96Å; V973-E977 VanDerWaalsContact CG2-C 3.47Å; V973-E977 WeakPolarHBondContact CG2-O 3.15Å; V973-P1005 HydrophobicContact CG2-CG 4.46Å
974	S	64.2	Low	71.3	Confident	116 Å²	116	75 Å²	75	81%	0.811	43%	0.426	S	S	*	.	S	Bend	trans	-100	-22.8	-179.4	49.4	0	0	0	0	115.2	P1005	S974-P1005 VanDerWaalsContact O-CB 3.32Å; S974-P1005 WeakPolarHBondContact O-CB 3.35Å
975	C	62.8	Low	71.5	Confident	54 Å²	54	71.9 Å²	71.9	37%	0.365	42%	0.424	S	S	.	.	S	Bend	trans	-146	153.6	161.6	70	0	0	0	0	109.7	G1006 C1008	C975-G1006 WeakPolarHBondContact CB-O 3.24Å; C975-C1008 HydrophobicContact CB-CB 4.04Å; C975-C1008 WeakPolarHBondContact CB-SG 3.34Å; C975-C1008 WeakPolarHBondContact SG-CB 3.32Å; C975-C1008 CovalentContact SG-SG 2.06Å; C975-C1008 PolarHBondContact SG-SG 2.66Å
976	G	64.8	Low	71.6	Confident	34 Å²	34	69.8 Å²	69.8	35%	0.351	41%	0.412	S	S	.	.	S	Bend	trans	96.8	-137.5	-174.3	0	0	0	0	0	113.4	R1004 P1005	G976-R1004 VanDerWaalsContact O-CA 3.3Å; G976-R1004 WeakPolarHBondContact O-CA 3.45Å; G976-P1005 PolarHBondContact N-O 3.36Å; G976-P1005 VanDerWaalsContact O-CD 3.27Å; G976-P1005 WeakPolarHBondContact O-CD 3.22Å
977	E	72.4	Confident	71.3	Confident	119 Å²	119	76.6 Å²	76.6	56%	0.556	43%	0.432	S	S	*	.			trans	-119.5	138.6	178.9	-54.7	-152.6	-157.6	0	0	112.2	V973 R1004	V973-E977 VanDerWaalsContact CG2-C 3.47Å; V973-E977 WeakPolarHBondContact CG2-O 3.15Å; E977-R1004 HydrophobicContact CB-CG 4.41Å; E977-R1004 HydrophobicContact CG-CG 3.94Å; E977-R1004 IonicContact OE1-CZ 2.73Å; E977-R1004 IonicContact OE1-NE 3.9Å; E977-R1004 PolarHBondContact OE1-NE 3.18Å; E977-R1004 IonicContact OE1-NH1 2.77Å; E977-R1004 IonicContact OE1-NH2 3.11Å; E977-R1004 PolarHBondContact OE1-NH2 3.41Å; E977-R1004 IonicContact OE2-CZ 2.7Å; E977-R1004 IonicContact OE2-NE 2.85Å; E977-R1004 PolarHBondContact OE2-NE 3Å; E977-R1004 IonicContact OE2-NH2 3.13Å; E977-R1004 PolarHBondContact OE2-NH2 3.31Å
978	G	74.6	Confident	70.6	Confident	11 Å²	11	78.1 Å²	78.1	11%	0.113	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-169	178.7	0	0	0	0	0	112.8	S972 P1002 C1003	S972-G978 VanDerWaalsContact OG-CA 3.31Å; S972-G978 WeakPolarHBondContact OG-CA 3.47Å; G978-P1002 CarbonylContact O-C 3.53Å; G978-P1002 WeakPolarHBondContact O-CA 3.44Å; G978-C1003 PolarHBondContact N-O 2.72Å; G978-C1003 PolarHBondContact O-N 3.03Å; G978-C1003 PolarHBondContact O-SG 3.14Å
979	L	76.7	Confident	69.8	Low	84 Å²	84	77.4 Å²	77.4	44%	0.44	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.1	-177	-66.3	159	0	0	0	112.1	S972 V1000 R1001 P1002 C1003	S972-L979 PolarHBondContact N-O 3.41Å; S972-L979 PolarHBondContact OG-N 2.53Å; L979-V1000 HydrophobicContact CB-CG1 4.44Å; L979-V1000 HydrophobicContact CD2-CG1 4.06Å; L979-R1001 CarbonylContact C-O 3.53Å; L979-R1001 WeakPolarHBondContact CA-O 3.49Å; L979-P1002 HydrophobicContact CD2-CB 4.31Å; L979-C1003 PolarHBondContact N-SG 2.95Å; L979-C1003 VanDerWaalsContact N-SG 3.36Å
980	E	70.8	Confident	69	Low	31 Å²	31	80 Å²	80	15%	0.145	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.4	169.8	-64.7	-178.6	167.1	0	0	110.4	W968 S969 C971 V1000 R1001 C1003	W968-E980 HydrophobicContact CB-CB 4.32Å; W968-E980 HydrophobicContact CE3-CB 4.07Å; S969-E980 WeakPolarHBondContact O-CG 3.12Å; C971-E980 HydrophobicContact CB-CG 4.18Å; E980-V1000 CarbonylContact O-C 3.26Å; E980-V1000 WeakPolarHBondContact O-CA 3.2Å; E980-R1001 HydrophobicContact CB-CG 4.11Å; E980-R1001 PolarHBondContact N-O 3.22Å; E980-R1001 PolarHBondContact O-N 2.99Å; E980-R1001 IonicContact OE2-CZ 3.65Å; E980-R1001 IonicContact OE2-NE 3.14Å; E980-R1001 PolarHBondContact OE2-NE 2.96Å; E980-R1001 IonicContact OE2-NH2 2.68Å; E980-R1001 PolarHBondContact OE2-NH2 3.24Å; E980-C1003 HydrophobicContact CG-CB 4.15Å
981	R	76.4	Confident	68.3	Low	164 Å²	164	79.6 Å²	79.6	62%	0.619	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	147	179	-55.8	-164.5	176.2	-141	-0.9	113	W968 S969 A999 V1000	W968-R981 CarbonylContact C-O 3.34Å; W968-R981 WeakPolarHBondContact CA-O 3.06Å; W968-R981 VanDerWaalsContact CE3-C 3.48Å; S969-R981 PolarHBondContact N-O 3.18Å; S969-R981 PolarHBondContact OG-N 3.46Å; R981-A999 CarbonylContact C-O 3.57Å; R981-A999 VanDerWaalsContact CA-O 3.25Å; R981-A999 WeakPolarHBondContact CA-O 3.46Å; R981-V1000 HydrophobicContact CG-CG1 4.24Å; R981-V1000 HydrophobicContact CG-CG2 4.04Å
982	R	71.6	Confident	67.6	Low	53 Å²	53	78.7 Å²	78.7	20%	0.2	44%	0.444	C	S	.	.			trans	-135	149.7	175.2	69.2	175.2	173.9	-176.9	-9.2	112.7	T965 G966 G967 W968 V984 E998 A999	T965-R982 PolarHBondContact OG1-NH1 2.9Å; G966-R982 WeakPolarHBondContact O-CD 3.21Å; G967-R982 WeakPolarHBondContact O-CA 3.18Å; G967-R982 WeakPolarHBondContact O-CB 3.44Å; W968-R982 HydrophobicContact CD2-CB 3.89Å; W968-R982 HydrophobicContact CD2-CG 3.94Å; W968-R982 VanDerWaalsContact CE2-CD 3.5Å; W968-R982 HydrophobicContact CE3-CB 3.75Å; W968-R982 HydrophobicContact CE3-CG 3.79Å; W968-R982 HydrophobicContact CG-CB 4.33Å; W968-R982 HydrophobicContact CH2-CG 3.83Å; W968-R982 HydrophobicContact CZ2-CG 3.99Å; W968-R982 VanDerWaalsContact CZ2-NE 3.28Å; W968-R982 HydrophobicContact CZ3-CB 4.16Å; W968-R982 HydrophobicContact CZ3-CG 3.72Å; R982-V984 HydrophobicContact CG-CG2 4.16Å; R982-E998 VanDerWaalsContact CZ-O 3.25Å; R982-E998 PolarHBondContact NE-O 2.92Å; R982-E998 PolarHBondContact NH2-O 3.42Å; R982-A999 PolarHBondContact N-O 2.73Å; R982-A999 WeakPolarHBondContact O-CB 3.29Å
983	P	75.3	Confident	66.9	Low	88 Å²	88	84.2 Å²	84.2	57%	0.571	45%	0.454	S	S	*	.			trans	-76.8	145.7	170.5	31.7	-32.8	0	0	0	111.2	G966	G966-P983 PolarHBondContact N-O 3.39Å
984	V	77.3	Confident	66.7	Low	26 Å²	26	84.2 Å²	84.2	16%	0.158	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.7	179.7	-179.5	0	0	0	0	109.3	R964 T965 R982 A999	R964-V984 WeakPolarHBondContact O-CA 3.29Å; T965-V984 HydrophobicContact CG2-CG1 4.12Å; T965-V984 HydrophobicContact CG2-CG2 3.97Å; R982-V984 HydrophobicContact CG-CG2 4.16Å; V984-A999 HydrophobicContact CG2-CB 4.29Å
985	T	66.3	Low	66.6	Low	92 Å²	92	87.6 Å²	87.6	56%	0.564	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.6	-175.4	55.5	0	0	0	0	112.3	R964	R964-T985 WeakPolarHBondContact CA-O 3.28Å; R964-T985 WeakPolarHBondContact CB-O 2.97Å; R964-T985 PolarHBondContact N-O 3.03Å; R964-T985 PolarHBondContact O-N 3.32Å
986	C	71	Confident	67	Low	20 Å²	20	90.8 Å²	90.8	14%	0.135	48%	0.475	C	S	.	.			trans	-103.2	151.4	164.8	165.3	0	0	0	0	109.2	W963 T988 G989 C992	W963-C986 HydrophobicContact CD2-CB 3.94Å; W963-C986 HydrophobicContact CE3-CB 3.41Å; W963-C986 VanDerWaalsContact CE3-CB 3.41Å; W963-C986 HydrophobicContact CH2-CB 4.23Å; W963-C986 HydrophobicContact CZ3-CB 3.57Å; C986-T988 VanDerWaalsContact C-N 3.29Å; C986-T988 PolarHBondContact O-N 3.44Å; C986-G989 WeakPolarHBondContact CB-O 3.35Å; C986-G989 PolarHBondContact SG-O 3.16Å; C986-C992 HydrophobicContact CB-CB 3.68Å; C986-C992 WeakPolarHBondContact CB-SG 3.41Å; C986-C992 WeakPolarHBondContact SG-CB 3.39Å; C986-C992 CovalentContact SG-SG 2.02Å; C986-C992 PolarHBondContact SG-SG 3.07Å
987	K	61.9	Low	67.3	Low	178 Å²	178	91.2 Å²	91.2	77%	0.774	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	7.1	-173.4	-138.5	-173.5	-179.7	-167.5	0	114.2
988	T	58.8	Low	67.1	Low	94 Å²	94	92.4 Å²	92.4	58%	0.577	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.2	28.2	-172.2	-30.5	0	0	0	0	112	C986	C986-T988 VanDerWaalsContact C-N 3.29Å; C986-T988 PolarHBondContact O-N 3.44Å
989	G	61.1	Low	67	Low	53 Å²	53	94.1 Å²	94.1	55%	0.546	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-155.3	-164.6	0	0	0	0	0	111.1	C986 Q991	C986-G989 WeakPolarHBondContact CB-O 3.35Å; C986-G989 PolarHBondContact SG-O 3.16Å; G989-Q991 PolarHBondContact O-N 3.38Å
990	D	56.1	Low	66.8	Low	112 Å²	112	92.7 Å²	92.7	60%	0.599	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	8.9	179.5	-82.8	-47.7	0	0	0	114.3	W963 C992 K996	W963-D990 HydrophobicContact CH2-CB 4.11Å; W963-D990 WeakPolarHBondContact CH2-O 3.34Å; W963-D990 VanDerWaalsContact CH2-OD1 3.26Å; W963-D990 WeakPolarHBondContact CH2-OD1 3.08Å; W963-D990 WeakPolarHBondContact CZ2-O 3.45Å; D990-C992 PolarHBondContact O-N 2.89Å; D990-K996 IonicContact OD1-NZ 3.37Å; D990-K996 PolarHBondContact OD1-NZ 3.43Å; D990-K996 IonicContact OD2-NZ 2.69Å
991	Q	59.9	Low	66.9	Low	172 Å²	172	96.2 Å²	96.2	80%	0.804	50%	0.497	S	S	*	.			trans	-97.8	73.9	178	-66.7	-175	-1	0	0	112.2	G989	G989-Q991 PolarHBondContact O-N 3.38Å
992	C	61.3	Low	66.7	Low	16 Å²	16	92.9 Å²	92.9	11%	0.108	50%	0.497	C	S	.	.			trans	-116.2	151.3	163.5	-85.2	0	0	0	0	110.2	Q962 W963 C986 D990	Q962-C992 PolarHBondContact O-SG 2.69Å; Q962-C992 VanDerWaalsContact O-SG 3.32Å; W963-C992 HydrophobicContact CB-CB 4.48Å; W963-C992 HydrophobicContact CD2-CB 3.77Å; W963-C992 HydrophobicContact CG-CB 3.71Å; W963-C992 HydrophobicContact CZ2-CB 4.32Å; W963-C992 PolarHBondContact NE1-O 3.38Å; C986-C992 HydrophobicContact CB-CB 3.68Å; C986-C992 WeakPolarHBondContact CB-SG 3.41Å; C986-C992 WeakPolarHBondContact SG-CB 3.39Å; C986-C992 CovalentContact SG-SG 2.02Å; C986-C992 PolarHBondContact SG-SG 3.07Å; D990-C992 PolarHBondContact O-N 2.89Å
993	Y	56.5	Low	66.6	Low	198 Å²	198	91.2 Å²	91.2	78%	0.776	49%	0.493	S	S	*	.	B	Isolated β-bridge	trans	-72.6	134	-177	-136.1	-90.9	0	0	0	111.8	A961	A961-Y993 PolarHBondContact O-N 3.1Å; A961-Y993 VanDerWaalsContact O-N 3.12Å
994	G	61.2	Low	66.1	Low	53 Å²	53	95.6 Å²	95.6	55%	0.546	50%	0.498	S	S	.	.	S	Bend	trans	96.2	162.8	-175.8	0	0	0	0	0	113.8	W963	W963-G994 PolarHBondContact NE1-O 3.47Å
995	E	61.8	Low	65.3	Low	188 Å²	188	96.4 Å²	96.4	88%	0.879	50%	0.504	S	S	*	.			trans	-64.9	150.6	177.7	-65.3	-170.7	146.8	0	0	112.3	P997	E995-P997 VanDerWaalsContact O-CD 3.23Å; E995-P997 WeakPolarHBondContact O-CD 3.22Å
996	K	71.2	Confident	64.9	Low	120 Å²	120	94.5 Å²	94.5	52%	0.522	50%	0.502	S	S	.	.			trans	-71.8	113.2	-176.6	-172.4	166.8	-176.2	163.5	0	110.1	W963 D990	W963-K996 HydrophobicContact CE3-CG 4.23Å; W963-K996 HydrophobicContact CH2-CB 4.19Å; W963-K996 HydrophobicContact CH2-CD 3.8Å; W963-K996 HydrophobicContact CH2-CG 3.92Å; W963-K996 HydrophobicContact CZ2-CB 4.11Å; W963-K996 HydrophobicContact CZ2-CG 4.32Å; W963-K996 HydrophobicContact CZ3-CD 3.94Å; W963-K996 HydrophobicContact CZ3-CG 3.87Å; D990-K996 IonicContact OD1-NZ 3.37Å; D990-K996 PolarHBondContact OD1-NZ 3.43Å; D990-K996 IonicContact OD2-NZ 2.69Å
997	P	70.9	Confident	64.2	Low	43 Å²	43	99.1 Å²	99.1	28%	0.279	53%	0.532	S	S	.	.			trans	-62.9	144.5	-172.4	-24.9	35.1	0	0	0	113.6	W963 T965 E995	W963-P997 HydrophobicContact CB-CG 4.38Å; T965-P997 HydrophobicContact CG2-CB 3.69Å; T965-P997 HydrophobicContact CG2-CG 3.95Å; E995-P997 VanDerWaalsContact O-CD 3.23Å; E995-P997 WeakPolarHBondContact O-CD 3.22Å
998	E	69.1	Low	63.8	Low	145 Å²	145	94.7 Å²	94.7	68%	0.678	52%	0.522	S	S	*	.			trans	-55.8	140	-176.9	-62.9	-176.5	137.3	0	0	113.5	R982	R982-E998 VanDerWaalsContact CZ-O 3.25Å; R982-E998 PolarHBondContact NE-O 2.92Å; R982-E998 PolarHBondContact NH2-O 3.42Å
999	A	72.2	Confident	63.4	Low	46 Å²	46	98.6 Å²	98.6	38%	0.38	53%	0.534	S	S	.	.	S	Bend	trans	-106.5	-3.9	-178.6	0	0	0	0	0	114.2	R981 R982 V984	R981-A999 CarbonylContact C-O 3.57Å; R981-A999 VanDerWaalsContact CA-O 3.25Å; R981-A999 WeakPolarHBondContact CA-O 3.46Å; R982-A999 PolarHBondContact N-O 2.73Å; R982-A999 WeakPolarHBondContact O-CB 3.29Å; V984-A999 HydrophobicContact CG2-CB 4.29Å
1000	V	72.6	Confident	62.8	Low	55 Å²	55	104 Å²	104	33%	0.333	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.9	139.9	178.1	-173.6	0	0	0	0	108.4	L979 E980 R981	L979-V1000 HydrophobicContact CB-CG1 4.44Å; L979-V1000 HydrophobicContact CD2-CG1 4.06Å; E980-V1000 CarbonylContact O-C 3.26Å; E980-V1000 WeakPolarHBondContact O-CA 3.2Å; R981-V1000 HydrophobicContact CG-CG1 4.24Å; R981-V1000 HydrophobicContact CG-CG2 4.04Å
1001	R	73.2	Confident	62.3	Low	105 Å²	105	107.8 Å²	107.8	40%	0.396	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-143.1	152.9	172.7	71.3	175.2	-179.9	171.6	2.8	112.1	W968 L979 E980	W968-R1001 HydrophobicContact CD2-CG 4.09Å; W968-R1001 HydrophobicContact CE3-CG 3.88Å; W968-R1001 HydrophobicContact CH2-CB 3.79Å; W968-R1001 HydrophobicContact CH2-CG 3.81Å; W968-R1001 HydrophobicContact CZ2-CB 4.2Å; W968-R1001 HydrophobicContact CZ2-CG 3.99Å; W968-R1001 HydrophobicContact CZ3-CB 4.05Å; W968-R1001 HydrophobicContact CZ3-CG 3.76Å; L979-R1001 CarbonylContact C-O 3.53Å; L979-R1001 WeakPolarHBondContact CA-O 3.49Å; E980-R1001 HydrophobicContact CB-CG 4.11Å; E980-R1001 PolarHBondContact N-O 3.22Å; E980-R1001 PolarHBondContact O-N 2.99Å; E980-R1001 IonicContact OE2-CZ 3.65Å; E980-R1001 IonicContact OE2-NE 3.14Å; E980-R1001 PolarHBondContact OE2-NE 2.96Å; E980-R1001 IonicContact OE2-NH2 2.68Å; E980-R1001 PolarHBondContact OE2-NH2 3.24Å
1002	P	71.2	Confident	62.2	Low	93 Å²	93	105.1 Å²	105.1	60%	0.604	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.4	154.3	171.3	30.9	-34.4	0	0	0	113.1	G978 L979	G978-P1002 CarbonylContact O-C 3.53Å; G978-P1002 WeakPolarHBondContact O-CA 3.44Å; L979-P1002 HydrophobicContact CD2-CB 4.31Å
1003	C	69.6	Low	61.9	Low	18 Å²	18	107.3 Å²	107.3	12%	0.122	58%	0.577	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.2	143.8	175.3	51.7	0	0	0	0	109.2	C971 G978 L979 E980	C971-C1003 WeakPolarHBondContact CA-SG 3.47Å; C971-C1003 HydrophobicContact CB-CB 3.85Å; C971-C1003 WeakPolarHBondContact CB-SG 3.35Å; C971-C1003 WeakPolarHBondContact SG-CB 3.34Å; C971-C1003 CovalentContact SG-SG 2.03Å; C971-C1003 PolarHBondContact SG-SG 3.16Å; G978-C1003 PolarHBondContact N-O 2.72Å; G978-C1003 PolarHBondContact O-N 3.03Å; G978-C1003 PolarHBondContact O-SG 3.14Å; L979-C1003 PolarHBondContact N-SG 2.95Å; L979-C1003 VanDerWaalsContact N-SG 3.36Å; E980-C1003 HydrophobicContact CG-CB 4.15Å
1004	R	65.3	Low	61.9	Low	181 Å²	181	101.8 Å²	101.8	68%	0.683	57%	0.567	S	S	*	*			trans	-136.1	92.8	-175.9	-61.4	-174.6	174.1	-176.4	-14	111.8	G976 E977	G976-R1004 VanDerWaalsContact O-CA 3.3Å; G976-R1004 WeakPolarHBondContact O-CA 3.45Å; E977-R1004 HydrophobicContact CB-CG 4.41Å; E977-R1004 HydrophobicContact CG-CG 3.94Å; E977-R1004 IonicContact OE1-CZ 2.73Å; E977-R1004 IonicContact OE1-NE 3.9Å; E977-R1004 PolarHBondContact OE1-NE 3.18Å; E977-R1004 IonicContact OE1-NH1 2.77Å; E977-R1004 IonicContact OE1-NH2 3.11Å; E977-R1004 PolarHBondContact OE1-NH2 3.41Å; E977-R1004 IonicContact OE2-CZ 2.7Å; E977-R1004 IonicContact OE2-NE 2.85Å; E977-R1004 PolarHBondContact OE2-NE 3Å; E977-R1004 IonicContact OE2-NH2 3.13Å; E977-R1004 PolarHBondContact OE2-NH2 3.31Å
1005	P	60.1	Low	62	Low	43 Å²	43	100.2 Å²	100.2	28%	0.279	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-74.2	144.7	166.9	-1.1	18.4	0	0	0	110	V973 S974 G976	V973-P1005 HydrophobicContact CG2-CG 4.46Å; S974-P1005 VanDerWaalsContact O-CB 3.32Å; S974-P1005 WeakPolarHBondContact O-CB 3.35Å; G976-P1005 PolarHBondContact N-O 3.36Å; G976-P1005 VanDerWaalsContact O-CD 3.27Å; G976-P1005 WeakPolarHBondContact O-CD 3.22Å
1006	G	57.3	Low	62.3	Low	51 Å²	51	93.5 Å²	93.5	53%	0.526	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-60.3	169.5	-162.4	0	0	0	0	0	117.3	C975 C1008	C975-G1006 WeakPolarHBondContact CB-O 3.24Å; G1006-C1008 PolarHBondContact O-N 3.43Å
1007	P	57.8	Low	61.9	Low	118 Å²	118	93.9 Å²	93.9	77%	0.766	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-63.2	133.9	-176.2	27.2	-34.9	0	0	0	111.7
1008	C	53.3	Low	61.4	Low	84 Å²	84	93.7 Å²	93.7	57%	0.568	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-89	130.8	179.3	4.9	0	0	0	0	109.6	C975 G1006	C975-C1008 HydrophobicContact CB-CB 4.04Å; C975-C1008 WeakPolarHBondContact CB-SG 3.34Å; C975-C1008 WeakPolarHBondContact SG-CB 3.32Å; C975-C1008 CovalentContact SG-SG 2.06Å; C975-C1008 PolarHBondContact SG-SG 2.66Å; G1006-C1008 PolarHBondContact O-N 3.43Å
1009	H	48.7	Very low	61.2	Low	176 Å²	176	93.1 Å²	93.1	82%	0.815	52%	0.523	S	S	*	.			trans	-137.2	132	-177.8	-99.2	-79.9	0	0	0	111.2
1010	D	49.4	Very low	60.6	Low	167 Å²	167	95.8 Å²	95.8	89%	0.893	53%	0.526	S	S	*	.			trans	-96.9	150.6	168.4	-61.4	-68.9	0	0	0	110.6
1011	E	46.1	Very low	60.3	Low	191 Å²	191	93.6 Å²	93.6	89%	0.893	51%	0.513	S	S	*	.			trans	-135.5	139.1	171.4	-165.3	177	-131.1	0	0	110.8
1012	P	57.7	Low	59.8	Low	116 Å²	116	96.7 Å²	96.7	75%	0.753	53%	0.532	S	S	*	.			trans	-91.4	160.3	-156.5	-9.8	29.8	0	0	0	116.7
1013	C	54.3	Low	59.5	Low	62 Å²	62	96.4 Å²	96.4	42%	0.419	52%	0.523	S	S	.	.			trans	-69	126.4	174.7	-169.9	0	0	0	0	112.8	C1040	C1013-C1040 WeakPolarHBondContact CA-SG 3.28Å; C1013-C1040 HydrophobicContact CB-CB 4.47Å; C1013-C1040 WeakPolarHBondContact CB-SG 3.41Å; C1013-C1040 VanDerWaalsContact SG-CA 3.59Å; C1013-C1040 WeakPolarHBondContact SG-CB 3.39Å; C1013-C1040 PolarHBondContact SG-O 2.85Å; C1013-C1040 CovalentContact SG-SG 2.03Å; C1013-C1040 PolarHBondContact SG-SG 2.73Å
1014	S	57.3	Low	59.1	Low	83 Å²	83	102 Å²	102	58%	0.58	55%	0.548	S	S	*	.			trans	-119	48.6	-172.1	42.2	0	0	0	0	113.3	K1017	S1014-K1017 WeakPolarHBondContact O-CE 3.31Å; S1014-K1017 PolarHBondContact OG-NZ 3.19Å
1015	G	62.7	Low	59	Low	19 Å²	19	96.6 Å²	96.6	20%	0.196	53%	0.534	C	S	.	.			trans	88.7	162.3	175	0	0	0	0	0	115.5	E1041	G1015-E1041 WeakPolarHBondContact CA-OE2 3.47Å
1016	D	68.3	Low	59	Low	48 Å²	48	95.2 Å²	95.2	26%	0.257	53%	0.525	S	S	.	.			trans	-72.9	129.7	168.5	-76.3	-22.5	0	0	0	111.2	C1021 C1039 C1040 E1041 S1042	D1016-C1021 HydrophobicContact CB-CB 3.91Å; D1016-C1021 WeakPolarHBondContact OD2-CB 3.17Å; D1016-C1039 WeakPolarHBondContact OD1-CA 3.12Å; D1016-C1040 PolarHBondContact OD1-N 2.92Å; D1016-E1041 HydrophobicContact CB-CB 4.41Å; D1016-E1041 WeakPolarHBondContact OD1-CA 3.4Å; D1016-E1041 WeakPolarHBondContact OD1-CB 3.26Å; D1016-E1041 PolarHBondContact OD1-N 3.01Å; D1016-S1042 PolarHBondContact OD1-N 3.25Å; D1016-S1042 WeakPolarHBondContact OD2-CB 3.44Å; D1016-S1042 PolarHBondContact OD2-N 3.13Å; D1016-S1042 VanDerWaalsContact OD2-N 3.14Å; D1016-S1042 PolarHBondContact OD2-OG 3.21Å
1017	K	62.9	Low	59.4	Low	127 Å²	127	93.8 Å²	93.8	55%	0.552	51%	0.508	S	S	*	.			trans	-110.8	9.6	-171.3	-65.5	170.6	-171.4	176.8	0	113	S1014 L1038	S1014-K1017 WeakPolarHBondContact O-CE 3.31Å; S1014-K1017 PolarHBondContact OG-NZ 3.19Å; K1017-L1038 PolarHBondContact N-O 3.12Å
1018	S	60.4	Low	59.7	Low	39 Å²	39	94.4 Å²	94.4	27%	0.273	50%	0.495	S	S	.	.	S	Bend	trans	-141.9	143.7	178	-177	0	0	0	0	111.8	F1020 C1021	S1018-F1020 PolarHBondContact O-N 3.08Å; S1018-F1020 WeakPolarHBondContact OG-CD2 3.13Å; S1018-F1020 PolarHBondContact OG-N 3.32Å; S1018-C1021 WeakPolarHBondContact O-CB 3.46Å; S1018-C1021 PolarHBondContact O-N 3.02Å; S1018-C1021 PolarHBondContact O-SG 2.8Å
1019	I	64.6	Low	60.3	Low	134 Å²	134	94 Å²	94	69%	0.687	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-61.3	-27.2	175.3	-176.6	168.4	0	0	0	112.5	C1021 Q1022	I1019-C1021 PolarHBondContact O-N 3.33Å; I1019-Q1022 PolarHBondContact O-N 3.43Å
1020	F	59.3	Low	61.3	Low	101 Å²	101	87 Å²	87	44%	0.443	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-66.4	-22.4	-178.4	-67.1	-63.7	0	0	0	113.2	S1018 Q1022 M1023 L1026	S1018-F1020 PolarHBondContact O-N 3.08Å; S1018-F1020 WeakPolarHBondContact OG-CD2 3.13Å; S1018-F1020 PolarHBondContact OG-N 3.32Å; F1020-Q1022 PolarHBondContact O-N 3.15Å; F1020-M1023 HydrophobicContact CD1-SD 4.3Å; F1020-M1023 PolarHBondContact O-N 2.93Å; F1020-L1026 HydrophobicContact CB-CD1 3.68Å; F1020-L1026 HydrophobicContact CD1-CD1 4.05Å; F1020-L1026 HydrophobicContact CG-CD1 4.28Å; F1020-L1026 WeakPolarHBondContact O-CD1 3.43Å
1021	C	66.1	Low	62	Low	9 Å²	9	84 Å²	84	6%	0.061	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-61.2	-20.9	179.9	-48	0	0	0	0	114.1	D1016 S1018 I1019 C1039 S1042	D1016-C1021 HydrophobicContact CB-CB 3.91Å; D1016-C1021 WeakPolarHBondContact OD2-CB 3.17Å; S1018-C1021 WeakPolarHBondContact O-CB 3.46Å; S1018-C1021 PolarHBondContact O-N 3.02Å; S1018-C1021 PolarHBondContact O-SG 2.8Å; I1019-C1021 PolarHBondContact O-N 3.33Å; C1021-C1039 WeakPolarHBondContact CA-SG 3.44Å; C1021-C1039 HydrophobicContact CB-CB 3.58Å; C1021-C1039 WeakPolarHBondContact CB-SG 3.24Å; C1021-C1039 WeakPolarHBondContact SG-CA 3.28Å; C1021-C1039 WeakPolarHBondContact SG-CB 3.21Å; C1021-C1039 CovalentContact SG-SG 2.03Å; C1021-C1039 PolarHBondContact SG-SG 3.43Å; C1021-S1042 PolarHBondContact O-OG 2.93Å
1022	Q	62.9	Low	63	Low	170 Å²	170	79 Å²	79	79%	0.794	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-85.2	-9.8	178.5	-64.2	-173.7	-8.5	0	0	114.5	I1019 F1020 E1024	I1019-Q1022 PolarHBondContact O-N 3.43Å; F1020-Q1022 PolarHBondContact O-N 3.15Å; Q1022-E1024 PolarHBondContact O-N 2.66Å
1023	M	65	Low	63.2	Low	88 Å²	88	78.5 Å²	78.5	43%	0.433	42%	0.42	S	S	.	.			trans	-78	121.2	175	-78.1	177.9	50	0	0	109.8	F1020 V1025 L1026	F1020-M1023 HydrophobicContact CD1-SD 4.3Å; F1020-M1023 PolarHBondContact O-N 2.93Å; M1023-V1025 PolarHBondContact O-N 2.85Å; M1023-L1026 HydrophobicContact CB-CB 4.18Å; M1023-L1026 HydrophobicContact CB-CD1 3.74Å; M1023-L1026 HydrophobicContact CB-CG 3.62Å; M1023-L1026 HydrophobicContact CE-CD1 3.99Å; M1023-L1026 HydrophobicContact CE-CD2 4.29Å; M1023-L1026 HydrophobicContact CE-CG 4.02Å; M1023-L1026 HydrophobicContact CG-CD1 4.32Å; M1023-L1026 WeakPolarHBondContact O-CA 3.15Å; M1023-L1026 WeakPolarHBondContact O-CB 3.2Å; M1023-L1026 PolarHBondContact O-N 2.73Å; M1023-L1026 HydrophobicContact SD-CD1 3.93Å; M1023-L1026 HydrophobicContact SD-CG 4.49Å
1024	E	62.5	Low	63.7	Low	136 Å²	136	77.5 Å²	77.5	64%	0.636	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-60.4	-36.2	-177.3	-129	178.9	-178.4	0	0	113.3	Q1022 L1026 A1027 R1046	Q1022-E1024 PolarHBondContact O-N 2.66Å; E1024-L1026 PolarHBondContact O-N 2.66Å; E1024-L1026 VanDerWaalsContact O-N 3.11Å; E1024-A1027 PolarHBondContact O-N 3.08Å; E1024-R1046 IonicContact OE1-NH2 3.13Å; E1024-R1046 PolarHBondContact OE1-NH2 3.01Å
1025	V	62.8	Low	64.2	Low	66 Å²	66	74.5 Å²	74.5	40%	0.4	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-76.6	16.8	174.2	-171	0	0	0	0	111.6	M1023 E1055 A1056 A1057	M1023-V1025 PolarHBondContact O-N 2.85Å; V1025-E1055 HydrophobicContact CB-CB 4.2Å; V1025-E1055 HydrophobicContact CG1-CB 4.11Å; V1025-E1055 HydrophobicContact CG2-CB 4.08Å; V1025-E1055 HydrophobicContact CG2-CG 4.35Å; V1025-A1056 HydrophobicContact CG1-CB 3.9Å; V1025-A1056 CarbonylContact O-C 3.48Å; V1025-A1056 WeakPolarHBondContact O-CA 3.23Å; V1025-A1056 WeakPolarHBondContact O-CB 3.32Å; V1025-A1056 PolarHBondContact O-N 3.14Å; V1025-A1057 PolarHBondContact O-N 3.09Å
1026	L	60.4	Low	64.2	Low	15 Å²	15	77 Å²	77	8%	0.079	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-113.9	10.7	170.7	-56	-174.8	0	0	0	114.7	F1020 M1023 E1024 Y1035 A1056 A1057	F1020-L1026 HydrophobicContact CB-CD1 3.68Å; F1020-L1026 HydrophobicContact CD1-CD1 4.05Å; F1020-L1026 HydrophobicContact CG-CD1 4.28Å; F1020-L1026 WeakPolarHBondContact O-CD1 3.43Å; M1023-L1026 HydrophobicContact CB-CB 4.18Å; M1023-L1026 HydrophobicContact CB-CD1 3.74Å; M1023-L1026 HydrophobicContact CB-CG 3.62Å; M1023-L1026 HydrophobicContact CE-CD1 3.99Å; M1023-L1026 HydrophobicContact CE-CD2 4.29Å; M1023-L1026 HydrophobicContact CE-CG 4.02Å; M1023-L1026 HydrophobicContact CG-CD1 4.32Å; M1023-L1026 WeakPolarHBondContact O-CA 3.15Å; M1023-L1026 WeakPolarHBondContact O-CB 3.2Å; M1023-L1026 PolarHBondContact O-N 2.73Å; M1023-L1026 HydrophobicContact SD-CD1 3.93Å; M1023-L1026 HydrophobicContact SD-CG 4.49Å; E1024-L1026 PolarHBondContact O-N 2.66Å; E1024-L1026 VanDerWaalsContact O-N 3.11Å; L1026-Y1035 VanDerWaalsContact CB-OH 3.28Å; L1026-Y1035 WeakPolarHBondContact CB-OH 3.45Å; L1026-Y1035 VanDerWaalsContact O-CE1 3.3Å; L1026-Y1035 WeakPolarHBondContact O-CE1 3.13Å; L1026-Y1035 PolarHBondContact O-OH 3.11Å; L1026-A1056 CarbonylContact C-O 3.58Å; L1026-A1056 VanDerWaalsContact CA-C 3.43Å; L1026-A1056 VanDerWaalsContact CA-O 3.29Å; L1026-A1056 WeakPolarHBondContact CA-O 3.43Å; L1026-A1057 VanDerWaalsContact CA-N 3.34Å; L1026-A1057 HydrophobicContact CD2-CB 3.34Å; L1026-A1057 WeakPolarHBondContact CD2-O 3.45Å
1027	A	64.2	Low	64	Low	20 Å²	20	82.9 Å²	82.9	17%	0.165	43%	0.428	C	S	.	.			trans	-81	-39.2	-174.4	0	0	0	0	0	118.3	E1024 Y1029 C1030 A1056	E1024-A1027 PolarHBondContact O-N 3.08Å; A1027-Y1029 PolarHBondContact O-N 3.31Å; A1027-C1030 WeakPolarHBondContact O-CB 3.48Å; A1027-C1030 PolarHBondContact O-N 3.39Å; A1027-C1030 VanDerWaalsContact O-N 3.13Å; A1027-C1030 PolarHBondContact O-SG 2.65Å; A1027-A1056 CarbonylContact C-O 3.37Å; A1027-A1056 PolarHBondContact N-O 3.1Å
1028	R	64.7	Low	64.1	Low	131 Å²	131	79 Å²	79	49%	0.494	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.5	-174.1	74.1	-160.7	160.4	-148.4	-20.3	114.7	S1031 E1055 A1056	R1028-S1031 PolarHBondContact O-OG 3.28Å; R1028-E1055 WeakPolarHBondContact CA-O 3.24Å; R1028-E1055 WeakPolarHBondContact CB-O 3.48Å; R1028-E1055 VanDerWaalsContact CD-O 3.26Å; R1028-E1055 WeakPolarHBondContact CD-O 3.25Å; R1028-E1055 WeakPolarHBondContact CG-O 3.41Å; R1028-E1055 VanDerWaalsContact CZ-C 3.49Å; R1028-E1055 VanDerWaalsContact CZ-CA 3.45Å; R1028-E1055 IonicContact CZ-OE1 2.96Å; R1028-E1055 PolarHBondContact N-O 3.01Å; R1028-E1055 VanDerWaalsContact NH1-CA 3.34Å; R1028-E1055 IonicContact NH1-OE1 2.73Å; R1028-E1055 PolarHBondContact NH1-OE1 2.98Å; R1028-E1055 IonicContact NH2-OE1 2.92Å; R1028-E1055 PolarHBondContact NH2-OE1 2.82Å; R1028-A1056 PolarHBondContact N-O 3.33Å; R1028-A1056 VanDerWaalsContact NE-CA 3.33Å
1029	Y	65.5	Low	64.4	Low	76 Å²	76	77.1 Å²	77.1	30%	0.298	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0	177.6	-76.8	-132.4	0	0	0	113.2	A1027 S1031 I1032 A1056 A1057 E1058	A1027-Y1029 PolarHBondContact O-N 3.31Å; Y1029-S1031 PolarHBondContact O-N 3.47Å; Y1029-I1032 HydrophobicContact CD1-CD1 3.68Å; Y1029-I1032 HydrophobicContact CE1-CD1 4.36Å; Y1029-I1032 HydrophobicContact CG-CD1 4.26Å; Y1029-I1032 WeakPolarHBondContact O-CB 3.49Å; Y1029-I1032 PolarHBondContact O-N 3.22Å; Y1029-A1056 WeakPolarHBondContact CD2-O 3.25Å; Y1029-A1056 HydrophobicContact CE2-CB 4.3Å; Y1029-A1056 PolarHBondContact N-O 3.2Å; Y1029-A1057 VanDerWaalsContact CD2-CA 3.44Å; Y1029-A1057 VanDerWaalsContact CD2-N 3.27Å; Y1029-A1057 VanDerWaalsContact CE2-CA 3.45Å; Y1029-A1057 HydrophobicContact CE2-CB 4.34Å; Y1029-A1057 VanDerWaalsContact CZ-CA 3.5Å; Y1029-E1058 WeakPolarHBondContact CE1-OE1 3.3Å; Y1029-E1058 VanDerWaalsContact CZ-OE1 3.22Å; Y1029-E1058 PolarHBondContact OH-OE1 3.41Å
1030	C	70.1	Confident	64.6	Low	29 Å²	29	72 Å²	72	20%	0.196	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-13	168.6	-70.9	0	0	0	0	115.2	A1027 I1032 N1036 C1043	A1027-C1030 WeakPolarHBondContact O-CB 3.48Å; A1027-C1030 PolarHBondContact O-N 3.39Å; A1027-C1030 VanDerWaalsContact O-N 3.13Å; A1027-C1030 PolarHBondContact O-SG 2.65Å; C1030-I1032 VanDerWaalsContact C-N 3.33Å; C1030-N1036 PolarHBondContact O-ND2 3.13Å; C1030-C1043 VanDerWaalsContact CA-SG 3.53Å; C1030-C1043 HydrophobicContact CB-CB 3.68Å; C1030-C1043 WeakPolarHBondContact CB-SG 3.33Å; C1030-C1043 WeakPolarHBondContact SG-CA 3.39Å; C1030-C1043 WeakPolarHBondContact SG-CB 3.21Å; C1030-C1043 CovalentContact SG-SG 2.03Å; C1030-C1043 PolarHBondContact SG-SG 3.47Å
1031	S	65.1	Low	65.3	Low	103 Å²	103	70.7 Å²	70.7	72%	0.72	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-12.9	171.8	54.1	0	0	0	0	114	R1028 Y1029	R1028-S1031 PolarHBondContact O-OG 3.28Å; Y1029-S1031 PolarHBondContact O-N 3.47Å
1032	I	66.4	Low	65.5	Low	86 Å²	86	71.7 Å²	71.7	44%	0.441	38%	0.379	S	S	.	.	S	Bend	trans	-92.2	120.7	178.4	-55.5	-178.1	0	0	0	108.8	Y1029 C1030 G1034 Y1035 N1036	Y1029-I1032 HydrophobicContact CD1-CD1 3.68Å; Y1029-I1032 HydrophobicContact CE1-CD1 4.36Å; Y1029-I1032 HydrophobicContact CG-CD1 4.26Å; Y1029-I1032 WeakPolarHBondContact O-CB 3.49Å; Y1029-I1032 PolarHBondContact O-N 3.22Å; C1030-I1032 VanDerWaalsContact C-N 3.33Å; I1032-G1034 VanDerWaalsContact C-N 3.28Å; I1032-G1034 PolarHBondContact O-N 2.75Å; I1032-G1034 VanDerWaalsContact O-N 3.12Å; I1032-Y1035 PolarHBondContact O-N 3.06Å; I1032-N1036 PolarHBondContact O-N 3.48Å
1033	P	62.4	Low	65.8	Low	106 Å²	106	64.1 Å²	64.1	69%	0.688	34%	0.344	S	S	*	.	H	α-helix	trans	-57.7	-32.3	-171.4	-29.4	36	0	0	0	115.8	K1037	P1033-K1037 PolarHBondContact O-N 3.35Å
1034	G	64.7	Low	65.8	Low	42 Å²	42	62.7 Å²	62.7	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-67.3	-43.9	175.6	0	0	0	0	0	112.7	I1032 K1037 L1038	I1032-G1034 VanDerWaalsContact C-N 3.28Å; I1032-G1034 PolarHBondContact O-N 2.75Å; I1032-G1034 VanDerWaalsContact O-N 3.12Å; G1034-K1037 PolarHBondContact O-N 2.81Å; G1034-L1038 WeakPolarHBondContact O-CD1 3.3Å
1035	Y	67.8	Low	65.8	Low	20 Å²	20	63 Å²	63	8%	0.078	34%	0.343	C	S	.	.	H	α-helix	trans	-68.9	-41.3	177.5	-171	-93.4	0	0	0	111.5	L1026 I1032 K1037 L1038 C1039	L1026-Y1035 VanDerWaalsContact CB-OH 3.28Å; L1026-Y1035 WeakPolarHBondContact CB-OH 3.45Å; L1026-Y1035 VanDerWaalsContact O-CE1 3.3Å; L1026-Y1035 WeakPolarHBondContact O-CE1 3.13Å; L1026-Y1035 PolarHBondContact O-OH 3.11Å; I1032-Y1035 PolarHBondContact O-N 3.06Å; Y1035-K1037 VanDerWaalsContact C-N 3.3Å; Y1035-K1037 PolarHBondContact O-N 3.4Å; Y1035-L1038 PolarHBondContact O-N 3.1Å; Y1035-C1039 HydrophobicContact CD1-CB 4.27Å; Y1035-C1039 HydrophobicContact CE1-CB 3.75Å; Y1035-C1039 VanDerWaalsContact CZ-SG 3.51Å; Y1035-C1039 PolarHBondContact O-N 3.24Å; Y1035-C1039 PolarHBondContact OH-SG 2.84Å
1036	N	63.2	Low	65.6	Low	71 Å²	71	66.1 Å²	66.1	38%	0.38	35%	0.347	S	S	.	.	H	α-helix	trans	-57.8	-39	177.1	-166.6	-76.2	0	0	0	112.5	C1030 I1032 L1038 C1040	C1030-N1036 PolarHBondContact O-ND2 3.13Å; I1032-N1036 PolarHBondContact O-N 3.48Å; N1036-L1038 VanDerWaalsContact C-N 3.3Å; N1036-L1038 PolarHBondContact O-N 2.99Å; N1036-C1040 WeakPolarHBondContact O-CA 3.35Å; N1036-C1040 WeakPolarHBondContact O-CB 3.22Å; N1036-C1040 PolarHBondContact O-N 3.13Å
1037	K	63.7	Low	65	Low	171 Å²	171	71.1 Å²	71.1	74%	0.743	38%	0.378	S	S	*	.	H	α-helix	trans	-69.6	-20.3	175.4	-80.7	-168.2	171.1	-169.4	0	115	P1033 G1034 Y1035	P1033-K1037 PolarHBondContact O-N 3.35Å; G1034-K1037 PolarHBondContact O-N 2.81Å; Y1035-K1037 VanDerWaalsContact C-N 3.3Å; Y1035-K1037 PolarHBondContact O-N 3.4Å
1038	L	63.8	Low	64.3	Low	45 Å²	45	73.8 Å²	73.8	24%	0.236	41%	0.408	C	S	.	.	H	α-helix	trans	-95.5	-43.7	-179.6	-71.4	159.5	0	0	0	112	K1017 G1034 Y1035 N1036 E1060	K1017-L1038 PolarHBondContact N-O 3.12Å; G1034-L1038 WeakPolarHBondContact O-CD1 3.3Å; Y1035-L1038 PolarHBondContact O-N 3.1Å; N1036-L1038 VanDerWaalsContact C-N 3.3Å; N1036-L1038 PolarHBondContact O-N 2.99Å; L1038-E1060 WeakPolarHBondContact CD1-O 3.47Å
1039	C	67.9	Low	62.8	Low	1 Å²	1	70.4 Å²	70.4	1%	0.007	41%	0.413	C	S	.	.	S	Bend	trans	-104.5	43.5	179.4	-63	0	0	0	0	112	D1016 C1021 Y1035 E1041 S1042 C1043	D1016-C1039 WeakPolarHBondContact OD1-CA 3.12Å; C1021-C1039 WeakPolarHBondContact CA-SG 3.44Å; C1021-C1039 HydrophobicContact CB-CB 3.58Å; C1021-C1039 WeakPolarHBondContact CB-SG 3.24Å; C1021-C1039 WeakPolarHBondContact SG-CA 3.28Å; C1021-C1039 WeakPolarHBondContact SG-CB 3.21Å; C1021-C1039 CovalentContact SG-SG 2.03Å; C1021-C1039 PolarHBondContact SG-SG 3.43Å; Y1035-C1039 HydrophobicContact CD1-CB 4.27Å; Y1035-C1039 HydrophobicContact CE1-CB 3.75Å; Y1035-C1039 VanDerWaalsContact CZ-SG 3.51Å; Y1035-C1039 PolarHBondContact O-N 3.24Å; Y1035-C1039 PolarHBondContact OH-SG 2.84Å; C1039-E1041 VanDerWaalsContact C-N 3.32Å; C1039-E1041 PolarHBondContact O-N 3.28Å; C1039-S1042 PolarHBondContact O-N 3.25Å; C1039-C1043 WeakPolarHBondContact O-CB 3.22Å; C1039-C1043 PolarHBondContact O-N 3.49Å; C1039-C1043 PolarHBondContact O-SG 3.05Å
1040	C	68.9	Low	61.2	Low	26 Å²	26	75 Å²	75	18%	0.176	44%	0.442	C	S	.	.	H	α-helix	trans	-62.1	-36.6	-169.7	-176.4	0	0	0	0	112.9	C1013 D1016 N1036 S1044	C1013-C1040 WeakPolarHBondContact CA-SG 3.28Å; C1013-C1040 HydrophobicContact CB-CB 4.47Å; C1013-C1040 WeakPolarHBondContact CB-SG 3.41Å; C1013-C1040 VanDerWaalsContact SG-CA 3.59Å; C1013-C1040 WeakPolarHBondContact SG-CB 3.39Å; C1013-C1040 PolarHBondContact SG-O 2.85Å; C1013-C1040 CovalentContact SG-SG 2.03Å; C1013-C1040 PolarHBondContact SG-SG 2.73Å; D1016-C1040 PolarHBondContact OD1-N 2.92Å; N1036-C1040 WeakPolarHBondContact O-CA 3.35Å; N1036-C1040 WeakPolarHBondContact O-CB 3.22Å; N1036-C1040 PolarHBondContact O-N 3.13Å; C1040-S1044 WeakPolarHBondContact O-CB 3.22Å; C1040-S1044 PolarHBondContact O-N 3.42Å; C1040-S1044 VanDerWaalsContact O-N 3.14Å; C1040-S1044 PolarHBondContact O-OG 3.17Å
1041	E	73.6	Confident	59.3	Low	73 Å²	73	78.7 Å²	78.7	34%	0.341	47%	0.468	S	S	.	.	H	α-helix	trans	-81.7	-39.5	-177.3	-166.4	-179.3	177.5	0	0	111.6	G1015 D1016 C1039 S1044 K1045	G1015-E1041 WeakPolarHBondContact CA-OE2 3.47Å; D1016-E1041 HydrophobicContact CB-CB 4.41Å; D1016-E1041 WeakPolarHBondContact OD1-CA 3.4Å; D1016-E1041 WeakPolarHBondContact OD1-CB 3.26Å; D1016-E1041 PolarHBondContact OD1-N 3.01Å; C1039-E1041 VanDerWaalsContact C-N 3.32Å; C1039-E1041 PolarHBondContact O-N 3.28Å; E1041-S1044 WeakPolarHBondContact CA-OG 3.06Å; E1041-S1044 PolarHBondContact O-N 2.75Å; E1041-S1044 PolarHBondContact O-OG 2.99Å; E1041-K1045 VanDerWaalsContact CD-NZ 3.34Å; E1041-K1045 HydrophobicContact CG-CD 4.13Å; E1041-K1045 VanDerWaalsContact O-CB 3.31Å; E1041-K1045 WeakPolarHBondContact O-CB 3.4Å; E1041-K1045 VanDerWaalsContact O-CG 3.27Å; E1041-K1045 WeakPolarHBondContact O-CG 3.3Å; E1041-K1045 PolarHBondContact O-N 2.65Å; E1041-K1045 VanDerWaalsContact OE1-CE 3.23Å; E1041-K1045 WeakPolarHBondContact OE1-CE 3.17Å; E1041-K1045 IonicContact OE1-NZ 2.71Å; E1041-K1045 PolarHBondContact OE1-NZ 3.33Å
1042	S	70.8	Confident	57.8	Low	30 Å²	30	80.4 Å²	80.4	21%	0.21	47%	0.469	C	S	.	.	H	α-helix	trans	-70.5	-36.8	173.5	-75.6	0	0	0	0	112.6	D1016 C1021 C1039 R1046	D1016-S1042 PolarHBondContact OD1-N 3.25Å; D1016-S1042 WeakPolarHBondContact OD2-CB 3.44Å; D1016-S1042 PolarHBondContact OD2-N 3.13Å; D1016-S1042 VanDerWaalsContact OD2-N 3.14Å; D1016-S1042 PolarHBondContact OD2-OG 3.21Å; C1021-S1042 PolarHBondContact O-OG 2.93Å; C1039-S1042 PolarHBondContact O-N 3.25Å; S1042-R1046 PolarHBondContact O-N 3.25Å
1043	C	67.5	Low	56.3	Low	11 Å²	11	85.7 Å²	85.7	7%	0.074	49%	0.489	C	S	.	.	H	α-helix	trans	-67	-34.2	174.2	-69.9	0	0	0	0	112.6	C1030 C1039 T1047	C1030-C1043 VanDerWaalsContact CA-SG 3.53Å; C1030-C1043 HydrophobicContact CB-CB 3.68Å; C1030-C1043 WeakPolarHBondContact CB-SG 3.33Å; C1030-C1043 WeakPolarHBondContact SG-CA 3.39Å; C1030-C1043 WeakPolarHBondContact SG-CB 3.21Å; C1030-C1043 CovalentContact SG-SG 2.03Å; C1030-C1043 PolarHBondContact SG-SG 3.47Å; C1039-C1043 WeakPolarHBondContact O-CB 3.22Å; C1039-C1043 PolarHBondContact O-N 3.49Å; C1039-C1043 PolarHBondContact O-SG 3.05Å; C1043-T1047 PolarHBondContact O-OG1 3.5Å
1044	S	65.9	Low	54.9	Low	59 Å²	59	85 Å²	85	41%	0.413	49%	0.486	S	S	.	.	H	α-helix	trans	-82.2	-36.4	177.9	53.2	0	0	0	0	113.3	C1040 E1041 R1046 T1047	C1040-S1044 WeakPolarHBondContact O-CB 3.22Å; C1040-S1044 PolarHBondContact O-N 3.42Å; C1040-S1044 VanDerWaalsContact O-N 3.14Å; C1040-S1044 PolarHBondContact O-OG 3.17Å; E1041-S1044 WeakPolarHBondContact CA-OG 3.06Å; E1041-S1044 PolarHBondContact O-N 2.75Å; E1041-S1044 PolarHBondContact O-OG 2.99Å; S1044-R1046 VanDerWaalsContact C-N 3.3Å; S1044-R1046 PolarHBondContact O-N 3.31Å; S1044-T1047 PolarHBondContact O-N 2.87Å; S1044-T1047 PolarHBondContact O-OG1 3.03Å
1045	K	62.8	Low	53.3	Low	143 Å²	143	86.7 Å²	86.7	62%	0.622	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-30.7	176	-77.9	174.7	-177.6	170.3	0	113.5	E1041	E1041-K1045 VanDerWaalsContact CD-NZ 3.34Å; E1041-K1045 HydrophobicContact CG-CD 4.13Å; E1041-K1045 VanDerWaalsContact O-CB 3.31Å; E1041-K1045 WeakPolarHBondContact O-CB 3.4Å; E1041-K1045 VanDerWaalsContact O-CG 3.27Å; E1041-K1045 WeakPolarHBondContact O-CG 3.3Å; E1041-K1045 PolarHBondContact O-N 2.65Å; E1041-K1045 VanDerWaalsContact OE1-CE 3.23Å; E1041-K1045 WeakPolarHBondContact OE1-CE 3.17Å; E1041-K1045 IonicContact OE1-NZ 2.71Å; E1041-K1045 PolarHBondContact OE1-NZ 3.33Å
1046	R	58.7	Low	51.6	Low	131 Å²	131	86.3 Å²	86.3	49%	0.494	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-77.9	-18.7	178.9	-71.9	-175.8	177.9	-118.3	-16.6	114.5	E1024 S1042 S1044 G1048	E1024-R1046 IonicContact OE1-NH2 3.13Å; E1024-R1046 PolarHBondContact OE1-NH2 3.01Å; S1042-R1046 PolarHBondContact O-N 3.25Å; S1044-R1046 VanDerWaalsContact C-N 3.3Å; S1044-R1046 PolarHBondContact O-N 3.31Å; R1046-G1048 VanDerWaalsContact C-N 3.28Å; R1046-G1048 PolarHBondContact O-N 3.47Å
1047	T	46.6	Very low	50.2	Low	120 Å²	120	83.4 Å²	83.4	74%	0.736	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-77.5	-6.2	174.5	24.9	0	0	0	0	114.8	C1043 S1044	C1043-T1047 PolarHBondContact O-OG1 3.5Å; S1044-T1047 PolarHBondContact O-N 2.87Å; S1044-T1047 PolarHBondContact O-OG1 3.03Å
1048	G	49.6	Very low	48.6	Very low	76 Å²	76	79.6 Å²	79.6	78%	0.784	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-84.5	0.2	179	0	0	0	0	0	115.9	R1046	R1046-G1048 VanDerWaalsContact C-N 3.28Å; R1046-G1048 PolarHBondContact O-N 3.47Å
1049	G	33.6	Very low	47.1	Very low	59 Å²	59	81.9 Å²	81.9	61%	0.608	47%	0.471	S	S	*	.	S	Bend	trans	-117.8	120.8	179.4	0	0	0	0	0	112
1050	L	32.9	Very low	45.4	Very low	174 Å²	174	89.8 Å²	89.8	91%	0.911	51%	0.508	S	S	*	.			trans	-75.6	128.2	173.6	-86.9	163.7	0	0	0	111
1051	S	29.8	Very low	43.4	Very low	105 Å²	105	96 Å²	96	73%	0.734	53%	0.534	S	S	*	.	S	Bend	trans	87.3	135.6	161.9	84.2	0	0	0	0	120
1052	L	33.1	Very low	41.3	Very low	140 Å²	140	100 Å²	100	73%	0.733	55%	0.553	S	S	*	*			trans	75.4	96.7	159.7	-81.4	71.9	0	0	0	122.4
1053	F	35.2	Very low	39.1	Very low	196 Å²	196	104 Å²	104	86%	0.86	58%	0.576	S	S	*	*			trans	76.2	122.1	140.3	-58.2	-67.3	0	0	0	125.4
1054	S	31.9	Very low	37.2	Very low	92 Å²	92	113.1 Å²	113.1	64%	0.643	61%	0.608	S	S	*	*			trans	106.2	153.3	134.5	-125.9	0	0	0	0	126.3
1055	E	31.9	Very low	35.2	Very low	77 Å²	77	119.8 Å²	119.8	36%	0.36	63%	0.63	S	S	.	*			trans	82	149	159	-58.9	-70.5	73.1	0	0	126.3	V1025 R1028	V1025-E1055 HydrophobicContact CB-CB 4.2Å; V1025-E1055 HydrophobicContact CG1-CB 4.11Å; V1025-E1055 HydrophobicContact CG2-CB 4.08Å; V1025-E1055 HydrophobicContact CG2-CG 4.35Å; R1028-E1055 WeakPolarHBondContact CA-O 3.24Å; R1028-E1055 WeakPolarHBondContact CB-O 3.48Å; R1028-E1055 VanDerWaalsContact CD-O 3.26Å; R1028-E1055 WeakPolarHBondContact CD-O 3.25Å; R1028-E1055 WeakPolarHBondContact CG-O 3.41Å; R1028-E1055 VanDerWaalsContact CZ-C 3.49Å; R1028-E1055 VanDerWaalsContact CZ-CA 3.45Å; R1028-E1055 IonicContact CZ-OE1 2.96Å; R1028-E1055 PolarHBondContact N-O 3.01Å; R1028-E1055 VanDerWaalsContact NH1-CA 3.34Å; R1028-E1055 IonicContact NH1-OE1 2.73Å; R1028-E1055 PolarHBondContact NH1-OE1 2.98Å; R1028-E1055 IonicContact NH2-OE1 2.92Å; R1028-E1055 PolarHBondContact NH2-OE1 2.82Å
1056	A	31.7	Very low	33.4	Very low	13 Å²	13	116.1 Å²	116.1	11%	0.107	63%	0.633	C	S	.	*			trans	-64.9	-140.9	-148.8	0	0	0	0	0	121.1	V1025 L1026 A1027 R1028 Y1029	V1025-A1056 HydrophobicContact CG1-CB 3.9Å; V1025-A1056 CarbonylContact O-C 3.48Å; V1025-A1056 WeakPolarHBondContact O-CA 3.23Å; V1025-A1056 WeakPolarHBondContact O-CB 3.32Å; V1025-A1056 PolarHBondContact O-N 3.14Å; L1026-A1056 CarbonylContact C-O 3.58Å; L1026-A1056 VanDerWaalsContact CA-C 3.43Å; L1026-A1056 VanDerWaalsContact CA-O 3.29Å; L1026-A1056 WeakPolarHBondContact CA-O 3.43Å; A1027-A1056 CarbonylContact C-O 3.37Å; A1027-A1056 PolarHBondContact N-O 3.1Å; R1028-A1056 PolarHBondContact N-O 3.33Å; R1028-A1056 VanDerWaalsContact NE-CA 3.33Å; Y1029-A1056 WeakPolarHBondContact CD2-O 3.25Å; Y1029-A1056 HydrophobicContact CE2-CB 4.3Å; Y1029-A1056 PolarHBondContact N-O 3.2Å
1057	A	33.6	Very low	32	Very low	10 Å²	10	116.1 Å²	116.1	8%	0.083	65%	0.653	C	S	.	*			cis	-163.5	168.9	-33.9	0	0	0	0	0	111.8	V1025 L1026 Y1029	V1025-A1057 PolarHBondContact O-N 3.09Å; L1026-A1057 VanDerWaalsContact CA-N 3.34Å; L1026-A1057 HydrophobicContact CD2-CB 3.34Å; L1026-A1057 WeakPolarHBondContact CD2-O 3.45Å; Y1029-A1057 VanDerWaalsContact CD2-CA 3.44Å; Y1029-A1057 VanDerWaalsContact CD2-N 3.27Å; Y1029-A1057 VanDerWaalsContact CE2-CA 3.45Å; Y1029-A1057 HydrophobicContact CE2-CB 4.34Å; Y1029-A1057 VanDerWaalsContact CZ-CA 3.5Å
1058	E	31.3	Very low	31.2	Very low	91 Å²	91	114.5 Å²	114.5	43%	0.425	65%	0.652	S	S	.	*			trans	5.3	157	155.1	-67.2	84.8	-91.8	0	0	124.4	Y1029	Y1029-E1058 WeakPolarHBondContact CE1-OE1 3.3Å; Y1029-E1058 VanDerWaalsContact CZ-OE1 3.22Å; Y1029-E1058 PolarHBondContact OH-OE1 3.41Å
1059	T	32.3	Very low	30.4	Very low	92 Å²	92	115.8 Å²	115.8	56%	0.564	65%	0.649	S	S	*	*			cis	-171.4	161	-6	28	0	0	0	0	115.9
1060	E	30.8	Very low	30.3	Very low	168 Å²	168	121.1 Å²	121.1	79%	0.785	66%	0.658	S	S	*	*			trans	71.4	160.8	150.7	-71.2	-176.2	174.2	0	0	125.7	L1038	L1038-E1060 WeakPolarHBondContact CD1-O 3.47Å
1061	E	28.4	Very low	30.2	Very low	157 Å²	157	118.5 Å²	118.5	73%	0.734	65%	0.645	S	S	*	*			trans	-104.7	-156.5	-159.2	-55.1	-167.2	-10	0	0	117.2
1062	H	28.4	Very low	30	Very low	157 Å²	157	121.1 Å²	121.1	73%	0.727	65%	0.65	S	S	*	*			cis	-167.3	-157.5	23.9	-164.4	67.1	0	0	0	113.1
1063	V	25.9	Very low	29.9	Very low	114 Å²	114	121.6 Å²	121.6	69%	0.691	65%	0.648	S	S	*	*			trans	83.8	147.6	160.8	166.6	0	0	0	0	118.4
1064	R	26.2	Very low	29.8	Very low	202 Å²	202	116.6 Å²	116.6	76%	0.762	63%	0.633	S	S	*	*			cis	-171.1	157.8	-21.8	-102.5	-177.2	179.1	174.3	-1.3	112.8
1065	F	23.9	Very low	29.9	Very low	198 Å²	198	119 Å²	119	87%	0.868	64%	0.639	S	S	*	*			trans	56.7	152	158.3	-70.3	-60.8	0	0	0	121.9
1066	G	24.6	Very low	30.1	Very low	67 Å²	67	123.1 Å²	123.1	69%	0.691	66%	0.66	S	S	*	*			cis	163.5	149.9	-14	0	0	0	0	0	117.9
1067	S	30.9	Very low	30.1	Very low	130 Å²	130	125.7 Å²	125.7	91%	0.909	68%	0.681	S	S	*	*			trans	66.8	154.5	165	-119.8	0	0	0	0	120
1068	A	28.6	Very low	30.2	Very low	86 Å²	86	132.7 Å²	132.7	71%	0.711	72%	0.717	S	S	*	*			cis	-148.1	-160.7	5.9	0	0	0	0	0	109.8
1069	S	32.6	Very low	30.3	Very low	104 Å²	104	132 Å²	132	73%	0.727	73%	0.726	S	S	*	*			cis	-167.1	172	1.8	-151.1	0	0	0	0	112
1070	Q	32.4	Very low	30.2	Very low	170 Å²	170	134.7 Å²	134.7	79%	0.794	74%	0.743	S	S	*	*			trans	64.6	146.9	161.1	-65.3	-169.8	-15.4	0	0	119.6
1071	L	29.8	Very low	30.2	Very low	120 Å²	120	130.4 Å²	130.4	63%	0.628	74%	0.744	S	S	*	*			cis	-154.5	175.4	-3.5	-124.2	171.7	0	0	0	112.1	E1073	L1071-E1073 HydrophobicContact CD2-CG 4.12Å
1072	L	26	Very low	30.1	Very low	160 Å²	160	128.5 Å²	128.5	84%	0.838	75%	0.748	S	S	*	*			trans	69.5	123.5	-177	-92.2	76.8	0	0	0	116.8
1073	E	30.8	Very low	30	Very low	150 Å²	150	126.1 Å²	126.1	70%	0.701	75%	0.749	S	S	*	*			cis	170.8	160.3	-34.9	-93.6	-87	105.3	0	0	105.5	L1071	L1071-E1073 HydrophobicContact CD2-CG 4.12Å
1074	T	34.4	Very low	30.1	Very low	90 Å²	90	128.8 Å²	128.8	55%	0.552	75%	0.751	S	S	*	*			cis	-176.3	-177.1	-31.2	-95.2	0	0	0	0	106.6
1075	L	32.7	Very low	30	Very low	144 Å²	144	126.9 Å²	126.9	75%	0.754	75%	0.751	S	S	*	*			trans	75.8	154.6	-179.3	-46	178.1	0	0	0	113.7
1076	M	35.8	Very low	30.1	Very low	162 Å²	162	122 Å²	122	80%	0.798	74%	0.742	S	S	*	*			cis	-165.9	163.6	-21.2	-106.2	-48.6	177.6	0	0	107.1
1077	A	33.8	Very low	30.1	Very low	67 Å²	67	124.7 Å²	124.7	55%	0.554	75%	0.75	S	S	*	*			cis	-155	166.1	-5.7	0	0	0	0	0	110.2
1078	N	34.3	Very low	29.8	Very low	158 Å²	158	121.9 Å²	121.9	85%	0.845	74%	0.742	S	S	*	*			trans	54.9	138.8	147.1	-65.3	0.6	0	0	0	122.1
1079	A	32.8	Very low	29.7	Very low	75 Å²	75	128.1 Å²	128.1	62%	0.62	75%	0.752	S	S	*	*			cis	-168.6	148.8	-12.4	0	0	0	0	0	113.4
1080	T	31.7	Very low	29.3	Very low	149 Å²	149	127.8 Å²	127.8	91%	0.914	75%	0.75	S	S	*	*			trans	58.4	149.2	152.4	50.9	0	0	0	0	120.9
1081	G	29.3	Very low	28.9	Very low	78 Å²	78	125.2 Å²	125.2	80%	0.804	75%	0.751	S	S	*	*			cis	148.1	158.7	-3.1	0	0	0	0	0	111.6
1082	S	27.6	Very low	29.5	Very low	117 Å²	117	125.6 Å²	125.6	82%	0.818	76%	0.761	S	S	*	*			cis	-173.2	158.6	-15.8	-169.9	0	0	0	0	112.8
1083	S	26.4	Very low	29.7	Very low	107 Å²	107	122.2 Å²	122.2	75%	0.748	76%	0.756	S	S	*	*			trans	75.5	163	165.9	86.9	0	0	0	0	119.4
1084	K	26.6	Very low	29.8	Very low	170 Å²	170	124.3 Å²	124.3	74%	0.739	76%	0.763	S	S	*	*			cis	-166.4	147.7	3.4	-139.3	172.9	-177.5	179.1	0	113.7
1085	Q	26	Very low	29.6	Very low	162 Å²	162	130.6 Å²	130.6	76%	0.757	78%	0.776	S	S	*	*			trans	40.5	156.1	148.6	-74.5	168.9	-54.9	0	0	123.3
1086	S	24.3	Very low	29.6	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	78%	0.776	S	S	*	*			cis	-173.9	145.2	-8.3	49.3	0	0	0	0	115.2
1087	S	24.6	Very low	29.3	Very low	124 Å²	124	127 Å²	127	87%	0.867	77%	0.771	S	S	*	*			trans	41.8	149.1	149.1	59.2	0	0	0	0	124.7
1088	G	25.4	Very low	29.4	Very low	71 Å²	71	129.8 Å²	129.8	73%	0.732	78%	0.781	S	S	*	*			cis	155.4	168.1	-7.9	0	0	0	0	0	116.1
1089	K	26	Very low	29.8	Very low	216 Å²	216	128.3 Å²	128.3	94%	0.939	78%	0.78	S	S	*	*			trans	76.8	151.4	168.1	-67.6	179.6	-178.9	178.8	0	119.2
1090	S	23.9	Very low	29.9	Very low	98 Å²	98	129.1 Å²	129.1	69%	0.685	79%	0.787	S	S	*	*			cis	-168.6	139.7	-8.9	47	0	0	0	0	117
1091	S	24.2	Very low	30.6	Very low	115 Å²	115	127.3 Å²	127.3	80%	0.804	78%	0.777	S	S	*	*			trans	57	157.6	136.2	-54.9	0	0	0	0	124.6
1092	P	43	Very low	30.7	Very low	129 Å²	129	130.4 Å²	130.4	84%	0.838	78%	0.775	S	S	*	*			cis	-120	-137.2	-12.9	25.3	0.9	0	0	0	111.6
1093	A	30.8	Very low	30.8	Very low	88 Å²	88	133 Å²	133	73%	0.727	77%	0.772	S	S	*	*			cis	-169.1	-174.6	2.2	0	0	0	0	0	109.1
1094	K	31.4	Very low	31	Very low	195 Å²	195	137.5 Å²	137.5	85%	0.848	78%	0.778	S	S	*	*			cis	-169.3	90.9	-6.7	-160.5	177	-173.5	177.7	0	115.5
1095	R	31.4	Very low	31	Very low	222 Å²	222	134.3 Å²	134.3	84%	0.838	78%	0.783	S	S	*	*			trans	61.4	-177.7	173.3	-59.7	-175.3	163.3	-174.1	-4.4	115.4
1096	I	31.4	Very low	31.3	Very low	148 Å²	148	135.3 Å²	135.3	76%	0.759	79%	0.788	S	S	*	*			cis	-160.4	170.4	-2.2	-135.3	173.5	0	0	0	107.8
1097	A	29.5	Very low	32.1	Very low	82 Å²	82	135.9 Å²	135.9	68%	0.678	79%	0.789	S	S	*	*			cis	-153.3	-144	-3.2	0	0	0	0	0	111.6
1098	T	37.6	Very low	32.4	Very low	126 Å²	126	139.3 Å²	139.3	77%	0.773	79%	0.788	S	S	*	*			trans	-150.9	-171.6	-165.5	55.5	0	0	0	0	112.2
1099	P	42.8	Very low	32.6	Very low	126 Å²	126	142.1 Å²	142.1	82%	0.818	79%	0.791	S	S	*	*			cis	-141.4	-159.7	6.8	43.6	-21	0	0	0	118.3
1100	A	33.6	Very low	32.6	Very low	92 Å²	92	136.4 Å²	136.4	76%	0.76	78%	0.778	S	S	*	*			trans	-143.2	-151.2	-176.9	0	0	0	0	0	111.6
1101	P	45.9	Very low	32.7	Very low	111 Å²	111	141.6 Å²	141.6	72%	0.721	79%	0.788	S	S	*	*			cis	-142.6	-165.3	-11.5	33.7	-7.6	0	0	0	116.2
1102	L	31.5	Very low	32.7	Very low	144 Å²	144	140.5 Å²	140.5	75%	0.754	79%	0.786	S	S	*	*			trans	134.7	140.7	141.2	-73.1	164.1	0	0	0	124
1103	K	31.3	Very low	32.4	Very low	172 Å²	172	140 Å²	140	75%	0.748	78%	0.783	S	S	*	*			trans	92.1	112.9	134.7	-85.6	167.5	-176.1	171.8	0	128
1104	K	29.2	Very low	32.1	Very low	201 Å²	201	146.2 Å²	146.2	87%	0.874	79%	0.788	S	S	*	*				61.6	137.5	123.6	-79.1	-169.4	172.8	-173.1	0	127.1
1105	A	28	Very low	31.8	Very low	103 Å²	103	146.8 Å²	146.8	85%	0.851	78%	0.784	S	S	*	*			trans	131.1	169.3	130	0	0	0	0	0	120
1106	Q	31.6	Very low	31.5	Very low	183 Å²	183	142.1 Å²	142.1	86%	0.855	78%	0.781	S	S	*	*			trans	-124.9	-165	-173.4	-56.1	-173	-12.6	0	0	111.3
1107	P	41.9	Very low	31.6	Very low	108 Å²	108	140.3 Å²	140.3	70%	0.701	78%	0.778	S	S	*	*			cis	-146.3	-177.7	-0.3	43.9	-21.9	0	0	0	120
1108	K	30.6	Very low	31.5	Very low	195 Å²	195	147 Å²	147	85%	0.848	79%	0.786	S	S	*	*			trans	8.6	148.6	157.8	-55.2	173.9	-179	175.1	0	124.5
1109	V	28.3	Very low	31.1	Very low	130 Å²	130	146 Å²	146	79%	0.788	78%	0.776	S	S	*	*				157.4	119.7	116.3	162.8	0	0	0	0	118.5
1110	S	26.3	Very low	30.3	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	77%	0.771	S	S	*	*			trans	56.6	153.7	143.2	90.7	0	0	0	0	129.7
1111	K	25.4	Very low	30	Very low	207 Å²	207	150.4 Å²	150.4	90%	0.9	77%	0.771	S	S	*	*			trans	90.8	160.9	149.7	-77.7	177.1	179.1	177.2	0	121.9
1112	A	24.7	Very low	28.9	Very low	92 Å²	92	151.6 Å²	151.6	76%	0.76	77%	0.771	S	S	*	*			trans	-148.1	167.8	-168.6	0	0	0	0	0	112.1
1113	P	36.9	Very low	28.8	Very low	118 Å²	118	150.6 Å²	150.6	77%	0.766	77%	0.77	S	S	*	*				-159.2	174.1	108.4	41.7	-22.4	0	0	0	118.9
1114	R	25.9	Very low	29.8	Very low	220 Å²	220	147.9 Å²	147.9	83%	0.83	77%	0.771	S	S	*	*			trans	24.5	157.2	140.1	-63.9	179.8	175.8	-178.7	-0.9	122.4
1115	R	24.8	Very low	29.6	Very low	206 Å²	206	143.6 Å²	143.6	78%	0.777	77%	0.766	S	S	*	*			cis	-178.6	142.4	-14.3	-110.4	-172.3	173.9	-175.8	-2.1	110.3
1116	V	24.6	Very low	29.5	Very low	125 Å²	125	146.4 Å²	146.4	76%	0.758	77%	0.766	S	S	*	*			trans	64.5	158.2	144.6	176.3	0	0	0	0	117.1
1117	P	34.2	Very low	29.1	Very low	110 Å²	110	144.6 Å²	144.6	71%	0.714	76%	0.761	S	S	*	*			cis	-104.2	-178.1	-2.3	20.6	4.2	0	0	0	113.4
1118	R	27.6	Very low	28.3	Very low	221 Å²	221	146.2 Å²	146.2	83%	0.834	76%	0.759	S	S	*	*			cis	71	141.9	41.2	-108.4	-165.5	171.7	178	0.2	112.9
1119	D	27.4	Very low	28.1	Very low	105 Å²	105	144.3 Å²	144.3	56%	0.561	75%	0.753	S	S	*	*			cis	-163.8	177.4	7.8	-150.1	-20.8	0	0	0	111.9
1120	L	27.5	Very low	28.7	Very low	139 Å²	139	143.8 Å²	143.8	73%	0.728	75%	0.753	S	S	*	*			trans	70.1	152.4	162	-55.4	157.1	0	0	0	116.4
1121	K	25.7	Very low	28.8	Very low	173 Å²	173	146.6 Å²	146.6	75%	0.752	76%	0.755	S	S	*	*			cis	-156	-172.5	0.2	-126.1	168.3	168.6	-176.3	0	107.3
1122	L	24.3	Very low	28.8	Very low	136 Å²	136	140.1 Å²	140.1	71%	0.712	75%	0.747	S	S	*	*			cis	-156.9	148.4	6.4	-138.8	-173.6	0	0	0	109.8
1123	T	29.5	Very low	28.8	Very low	122 Å²	122	142.9 Å²	142.9	75%	0.748	74%	0.744	S	S	*	*			trans	-151.3	179.1	162.2	57.8	0	0	0	0	107.3
1124	P	50.8	Low	28.3	Very low	116 Å²	116	148.3 Å²	148.3	75%	0.753	75%	0.749	S	S	*	*			cis	-139.5	176.9	0.7	44	-26.8	0	0	0	116.5
1125	S	24.7	Very low	28.3	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	75%	0.745	S	S	*	*			trans	174.3	155.4	150.7	46.1	0	0	0	0	109.2
1126	L	25.8	Very low	28.3	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	75%	0.752	S	S	*	*			cis	-152.4	-177.1	-10.8	-119.7	170.2	0	0	0	110.7
1127	L	24.6	Very low	28.2	Very low	145 Å²	145	134.7 Å²	134.7	76%	0.759	75%	0.751	S	S	*	*			trans	-83.6	174.1	179.6	-65.2	159	0	0	0	112
1128	Q	24.7	Very low	27.8	Very low	143 Å²	143	137.8 Å²	137.8	67%	0.668	76%	0.76	S	S	*	*			cis	-177.6	129	-23.9	162.8	170.1	4.5	0	0	109.9
1129	E	27.2	Very low	27.8	Very low	154 Å²	154	135.7 Å²	135.7	72%	0.72	76%	0.762	S	S	*	*			trans	57.6	177.7	156.1	-92.3	170.6	159.8	0	0	120.4
1130	P	40.4	Very low	27.6	Very low	119 Å²	119	134.2 Å²	134.2	77%	0.773	77%	0.772	S	S	*	*			cis	-137	168.9	17.9	43.4	-24.4	0	0	0	121.8
1131	E	27.5	Very low	27.5	Very low	155 Å²	155	133 Å²	133	72%	0.724	78%	0.775	S	S	*	*			trans	-1.3	159.1	161	-64.8	-162.3	93.1	0	0	126.6	Q1133	E1131-Q1133 PolarHBondContact OE1-NE2 3.41Å
1132	G	25.3	Very low	27.5	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	78%	0.781	S	S	*	*			trans	159.7	57.4	156.9	0	0	0	0	0	116
1133	Q	26.6	Very low	27.6	Very low	150 Å²	150	139.6 Å²	139.6	70%	0.701	79%	0.786	S	S	*	*				76.2	146	97.1	-74.6	-160.8	8.8	0	0	119.6	E1131	E1131-Q1133 PolarHBondContact OE1-NE2 3.41Å
1134	R	25.7	Very low	27.7	Very low	232 Å²	232	139.6 Å²	139.6	88%	0.875	79%	0.788	S	S	*	*			trans	80.2	148.9	170.5	-66.3	-175.3	177.1	-173.1	-1.6	119.7
1135	S	25.1	Very low	26.4	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	78%	0.778	S	S	*	*			cis	-175.9	126.3	-35.8	48.9	0	0	0	0	113.4
1136	G	24.7	Very low	26.5	Very low	90 Å²	90	137.9 Å²	137.9	93%	0.928	78%	0.775	S	S	*	*			trans	73.5	162	160.7	0	0	0	0	0	118.1
1137	G	23.8	Very low	26.5	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	78%	0.776	S	S	*	*			cis	156.7	133.2	-15.3	0	0	0	0	0	115.3
1138	L	25.6	Very low	26.6	Very low	174 Å²	174	138.4 Å²	138.4	91%	0.911	77%	0.772	S	S	*	*			trans	66.4	154.5	169.5	-62.4	158.4	0	0	0	116
1139	M	26.2	Very low	26.7	Very low	177 Å²	177	140.5 Å²	140.5	87%	0.872	78%	0.779	S	S	*	*			cis	-118.3	174.8	-10.5	-56.8	-178.2	102.6	0	0	109.2
1140	G	24.1	Very low	26.8	Very low	75 Å²	75	138.3 Å²	138.3	77%	0.773	78%	0.776	S	S	*	*				70.5	129.9	75.3	0	0	0	0	0	113.1
1141	S	26.4	Very low	26.2	Very low	113 Å²	113	141 Å²	141	79%	0.79	78%	0.778	S	S	*	*			cis	-169.1	164	9.5	67.2	0	0	0	0	114.7
1142	R	24.7	Very low	26.4	Very low	234 Å²	234	148.9 Å²	148.9	88%	0.883	80%	0.801	S	S	*	*			trans	64.6	128.5	149.5	-83.1	-178.7	170.4	171.2	-2.7	122.6
1143	W	26.3	Very low	26.4	Very low	213 Å²	213	152.8 Å²	152.8	81%	0.807	81%	0.805	S	S	*	*			trans	-76	168.7	149.8	-56.9	5.2	0	0	0	110.4	T1145	W1143-T1145 HydrophobicContact CE3-CG2 3.53Å; W1143-T1145 HydrophobicContact CZ3-CG2 3.66Å
1144	P	31.1	Very low	26.4	Very low	122 Å²	122	152.9 Å²	152.9	79%	0.792	81%	0.81	S	S	*	*				-129.4	137.8	82.3	37.5	-28.5	0	0	0	112.4
1145	T	24.6	Very low	26.5	Very low	90 Å²	90	148.6 Å²	148.6	55%	0.552	81%	0.807	S	S	*	*				47.8	117.7	68.8	23.9	0	0	0	0	119	W1143	W1143-T1145 HydrophobicContact CE3-CG2 3.53Å; W1143-T1145 HydrophobicContact CZ3-CG2 3.66Å
1146	S	26.4	Very low	26.5	Very low	100 Å²	100	151.1 Å²	151.1	70%	0.699	81%	0.811	S	S	*	*			trans	81.2	157.1	144.8	84.2	0	0	0	0	118.3
1147	Y	26.4	Very low	26.7	Very low	220 Å²	220	154.9 Å²	154.9	86%	0.863	80%	0.803	S	S	*	*			cis	-150.1	157.3	11.4	-131	-65.9	0	0	0	112.2
1148	S	25.5	Very low	26.9	Very low	99 Å²	99	160.5 Å²	160.5	69%	0.692	81%	0.809	S	S	*	*			trans	71.7	134.2	162.2	-136.5	0	0	0	0	116.9
1149	K	28.2	Very low	26.9	Very low	187 Å²	187	159.6 Å²	159.6	81%	0.813	80%	0.801	S	S	*	*			cis	70.7	116.5	35.2	-140.8	-167.6	-175.1	-171.8	0	110.1
1150	V	28.2	Very low	27	Very low	107 Å²	107	158.2 Å²	158.2	65%	0.648	80%	0.796	S	S	*	*				-161.3	150.6	61.5	158.3	0	0	0	0	111.7
1151	E	27.3	Very low	27.2	Very low	177 Å²	177	165.2 Å²	165.2	83%	0.827	80%	0.798	S	S	*	*			trans	14.2	124.5	157.2	-58.3	161.6	162	0	0	121.3
1152	R	31.7	Very low	27.3	Very low	320 Å²	320	169.9 Å²	169.9	100%	1.208	80%	0.799	S	S	*	*				-150.2	0	97	-130.4	179	-168.8	178.9	3.8	112.4

Retrieved 1,152 of 1,152 residues in 194.5 ms (Link to these results)

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