A0A096LWW1_POEFO Loading...

ADAM metallopeptidase with thrombospondin type 1 motif 1

AlphaFold DB , UniProt , Accession A0A096LWW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 945 aa.

						>A0A096LWW1_POEFO|A0A096LWW1
MMWFPRVSIGLIVLLCVGAVRCAWKESTVVPVRLDQSESASEPWRTLSAEEEEKEAQTRLYRLDVFGKKLVLQLEPDQTFLAPGFVFHVVGSPESAPVREAEGAAEPGCFFSGTVNGEKRSAAALNLCHGLTGGFYFQGEEYFIQPLNSSELLPRREEEGAHMVRRRSRAALAEEGSSKCGVSEDEERVPRNLEQEASHGAPNADQTANRRTRRFVSTPRYLEIMLVADQSMAEFHGAGLKPYLLTIMAVASRLYHHPSIHNSISLAVVKLLVVYEEERGPQVSTNAALTLRNFCQWQRQHNPLSDRHPEHYDTAILFTRMDLCGAHSCDTLGMADVGTVCDPERSCSIIEDDGLQAAFTVAHELGHVFNMPHDDAQLCSGVNGAHWSSHMMASTLSNLDQRQPWSPCSALMITSFLDNGHGQCLLDKPVKAQPLPQPLPGTVYSADQQCRLTFGEDSQHCPDLSTTCAALWCTVTTSNGWVVCQTKNFPWADGTSCGHESYCLAGRCLNKTQAAEHQTPVSGGWGMWGPWGDCSRTCGGGVQYSFRSCDNPLPKNGGKYCEGKRIQYRSCNTEVCPDTNGLSFREEQCLAHNDMSAQVSLGSSDGVEWVPKYAGVSPKDRCKLVCRAKGTGYFFVLKPKVADGTPCSPDSTSVCVQGQCVKAGCDRIIGSNRRFDKCGVCGGDGSSCKKVSGSLDRSRPGYQDVVTIPAGATHLDVKQRSPGNGRQDNSYLAVRRQDGTYLLNGDYKLMTMESDITLQGALLRYSGSSASLERLRSFAPLPEPITIQVLSVGEAPRPRVKYSYFAPRPNNAASASSNSGGRRPSINAIREFGGAEWTLREWGPCSQTCGGGLQQREVVCLDPQGRTSRDCPEELRPLVSRACASQPCPSWLPGQWSECSKTCGRGFRKRPLHCIGHDGQTLTLDNCDPKDRPRPLLEMCNQRAC
					

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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	Very low	31.9	Very low	237 Å²	237	160.6 Å²	160.6	100%	1.167	83%	0.825	S	S	*	*				0	138.9	0	-162	169.2	-174.6	0	0	106.6
2	M	31.2	Very low	31.6	Very low	186 Å²	186	159.8 Å²	159.8	92%	0.916	82%	0.82	S	S	*	*			trans	65.6	118	-168.2	-61.4	170.9	163.9	0	0	112.7
3	W	26.8	Very low	32.1	Very low	226 Å²	226	157.7 Å²	157.7	86%	0.856	82%	0.819	S	S	*	*			cis	87.3	96.6	14.2	-91.8	45.5	0	0	0	118.4
4	F	29.1	Very low	31.9	Very low	164 Å²	164	157.1 Å²	157.1	72%	0.719	82%	0.817	S	S	*	*			trans	65.3	176.1	143.9	-73.6	-73.5	0	0	0	119.3
5	P	50	Low	31.9	Very low	103 Å²	103	156.9 Å²	156.9	67%	0.669	82%	0.816	S	S	*	*			cis	-136.3	158	-8.7	15.4	11.1	0	0	0	118.9
6	R	30.5	Very low	31.6	Very low	232 Å²	232	154.4 Å²	154.4	88%	0.875	81%	0.814	S	S	*	*			trans	71	132.4	130.6	-73.3	178.9	176.1	178.2	-1.4	125.7
7	V	30.7	Very low	31.7	Very low	124 Å²	124	153 Å²	153	75%	0.752	81%	0.813	S	S	*	*				107.6	101.7	120.8	157.6	0	0	0	0	122.3
8	S	28.3	Very low	31.5	Very low	89 Å²	89	148.5 Å²	148.5	62%	0.622	81%	0.809	S	S	*	*				83.2	115.1	127.8	-63.2	0	0	0	0	125.7
9	I	32.8	Very low	31.4	Very low	167 Å²	167	145.1 Å²	145.1	86%	0.856	80%	0.802	S	S	*	*				61.7	115.1	124	-54.4	165.3	0	0	0	118.8
10	G	27.3	Very low	31.4	Very low	76 Å²	76	145 Å²	145	78%	0.784	81%	0.806	S	S	*	*			trans	-177.6	96.2	167	0	0	0	0	0	114.8
11	L	31.7	Very low	31.5	Very low	163 Å²	163	148.3 Å²	148.3	85%	0.853	81%	0.806	S	S	*	*			trans	-30.5	135.3	175	-146.8	80.8	0	0	0	118.4
12	I	29.3	Very low	31.8	Very low	150 Å²	150	142.8 Å²	142.8	77%	0.769	79%	0.789	S	S	*	*				168.5	144.2	123.2	-87.8	159.6	0	0	0	111.2
13	V	37.9	Very low	32.5	Very low	133 Å²	133	137.5 Å²	137.5	81%	0.806	78%	0.775	S	S	*	*			trans	-96.8	126.5	176	173.8	0	0	0	0	110.5
14	L	29.3	Very low	33.7	Very low	150 Å²	150	132 Å²	132	79%	0.785	75%	0.754	S	S	*	*			trans	-159.6	106.3	159.3	-114.6	158.9	0	0	0	110.2
15	L	31.3	Very low	35.7	Very low	154 Å²	154	130.4 Å²	130.4	81%	0.806	75%	0.747	S	S	*	*			trans	-91.7	112.4	173.4	-87.9	165.3	0	0	0	109.7
16	C	27.8	Very low	37.3	Very low	117 Å²	117	130.4 Å²	130.4	79%	0.791	74%	0.738	S	S	*	*			trans	-118.7	77.4	168.5	-75	0	0	0	0	110
17	V	32.6	Very low	39.8	Very low	130 Å²	130	120.9 Å²	120.9	79%	0.788	71%	0.707	S	S	*	*			trans	-86.4	115.7	163.9	179.6	0	0	0	0	107.4	A19	V17-A19 PolarHBondContact O-N 2.96Å
18	G	28.2	Very low	42.3	Very low	72 Å²	72	119.1 Å²	119.1	74%	0.742	70%	0.697	S	S	*	*			trans	-73.5	95.6	-174.8	0	0	0	0	0	112.7	V20	G18-V20 PolarHBondContact O-N 3.12Å
19	A	29.9	Very low	45.1	Very low	83 Å²	83	115.3 Å²	115.3	69%	0.686	67%	0.669	S	S	*	*			trans	-73.8	104.9	169.2	0	0	0	0	0	110.4	V17 R21	V17-A19 PolarHBondContact O-N 2.96Å; A19-R21 VanDerWaalsContact C-N 3.3Å; A19-R21 PolarHBondContact O-N 3.24Å
20	V	31.1	Very low	47.6	Very low	144 Å²	144	111.1 Å²	111.1	87%	0.873	65%	0.651	S	S	*	*			trans	-72.4	88	169.7	-177.9	0	0	0	0	108.4	G18	G18-V20 PolarHBondContact O-N 3.12Å
21	R	32.8	Very low	50.3	Low	215 Å²	215	107.8 Å²	107.8	81%	0.811	62%	0.616	S	S	*	*			trans	-72.2	128.1	171.4	-71.1	179.5	170.2	-178.2	-4.1	109.6	A19 A23	A19-R21 VanDerWaalsContact C-N 3.3Å; A19-R21 PolarHBondContact O-N 3.24Å; R21-A23 HydrophobicContact CB-CB 4.48Å; R21-A23 PolarHBondContact O-N 2.93Å
22	C	39.3	Very low	52.9	Low	121 Å²	121	103.1 Å²	103.1	82%	0.818	59%	0.594	S	S	*	*			trans	-69.4	71.6	159.3	-71	0	0	0	0	109.7
23	A	46.6	Very low	55.4	Low	74 Å²	74	100 Å²	100	61%	0.612	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-77.7	123.1	-179.6	0	0	0	0	0	110.6	R21 K25	R21-A23 HydrophobicContact CB-CB 4.48Å; R21-A23 PolarHBondContact O-N 2.93Å; A23-K25 PolarHBondContact O-N 2.6Å
24	W	50.8	Low	57.5	Low	111 Å²	111	96.2 Å²	96.2	42%	0.42	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-51.1	132.2	162.6	-73	93.3	0	0	0	109.6	F143 R165 R166 R167	W24-F143 AromaticContact CH2-CD2 3.72Å; W24-F143 HydrophobicContact CH2-CD2 3.72Å; W24-F143 AromaticContact CH2-CE2 3.8Å; W24-F143 HydrophobicContact CH2-CE2 3.8Å; W24-F143 AromaticContact CZ3-CD2 3.85Å; W24-F143 HydrophobicContact CZ3-CD2 3.85Å; W24-F143 HydrophobicContact CZ3-CE2 4.31Å; W24-R165 HydrophobicContact CD2-CB 4.41Å; W24-R165 HydrophobicContact CE3-CB 3.69Å; W24-R165 HydrophobicContact CZ3-CB 4.11Å; W24-R166 VanDerWaalsContact CE3-C 3.43Å; W24-R167 HydrophobicContact CD2-CB 4.22Å; W24-R167 HydrophobicContact CE3-CB 3.84Å; W24-R167 HydrophobicContact CE3-CG 4.37Å; W24-R167 HydrophobicContact CH2-CB 3.99Å; W24-R167 HydrophobicContact CH2-CG 3.67Å; W24-R167 HydrophobicContact CZ2-CB 4.34Å; W24-R167 HydrophobicContact CZ2-CG 4.27Å; W24-R167 HydrophobicContact CZ3-CB 3.71Å; W24-R167 HydrophobicContact CZ3-CG 3.72Å
25	K	71.4	Confident	59.1	Low	131 Å²	131	91.7 Å²	91.7	57%	0.57	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.5	168.6	-70.7	177.3	-179.7	171.3	0	107.8	A23 F66 R165 R166	A23-K25 PolarHBondContact O-N 2.6Å; K25-F66 HydrophobicContact CB-CE1 3.83Å; K25-F66 HydrophobicContact CB-CZ 4.43Å; K25-F66 WeakPolarHBondContact O-CZ 3.4Å; K25-R165 CarbonylContact O-C 3.56Å; K25-R165 WeakPolarHBondContact O-CA 3.15Å; K25-R166 PolarHBondContact N-O 3.07Å; K25-R166 PolarHBondContact O-N 2.78Å
26	E	83.1	Confident	60.3	Low	103 Å²	103	93.7 Å²	93.7	48%	0.481	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.2	177.2	-52.8	-163.9	136.8	0	0	110.3	V164 R165	E26-V164 CarbonylContact C-O 3.58Å; E26-V164 WeakPolarHBondContact CA-O 3.5Å; E26-R165 HydrophobicContact CG-CG 4.26Å; E26-R165 IonicContact OE1-CZ 2.68Å; E26-R165 IonicContact OE1-NE 2.78Å; E26-R165 PolarHBondContact OE1-NE 2.92Å; E26-R165 IonicContact OE1-NH2 2.75Å; E26-R165 PolarHBondContact OE1-NH2 3.42Å
27	S	82.9	Confident	61.2	Low	32 Å²	32	93.2 Å²	93.2	22%	0.224	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	129.8	172.2	-177.2	0	0	0	0	108.8	F66 V164	S27-F66 VanDerWaalsContact CB-CE1 3.45Å; S27-V164 PolarHBondContact N-O 3.32Å; S27-V164 PolarHBondContact O-N 3.17Å
28	T	84.5	Confident	61.8	Low	87 Å²	87	96.6 Å²	96.6	53%	0.534	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	145.2	164.6	-56.5	0	0	0	0	109.6	L147 A161 H162	T28-L147 HydrophobicContact CG2-CD1 3.6Å; T28-A161 HydrophobicContact CG2-CB 4.16Å; T28-H162 CarbonylContact C-O 3.46Å; T28-H162 WeakPolarHBondContact CA-O 3.4Å
29	V	86.7	Confident	62.2	Low	8 Å²	8	99 Å²	99	5%	0.048	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.2	172.6	69.4	0	0	0	0	108.9	P31 L63 D64 V65 I144 H162 V164	V29-P31 HydrophobicContact CG1-CG 4.44Å; V29-L63 HydrophobicContact CG1-CD2 4.08Å; V29-L63 HydrophobicContact CG2-CB 4.27Å; V29-L63 HydrophobicContact CG2-CD2 4.3Å; V29-D64 WeakPolarHBondContact CG2-O 3.38Å; V29-V65 HydrophobicContact CB-CB 4.42Å; V29-V65 HydrophobicContact CB-CG2 4.41Å; V29-V65 HydrophobicContact CG2-CB 4.35Å; V29-I144 HydrophobicContact CG1-CD1 4.28Å; V29-H162 HydrophobicContact CG1-CB 4.08Å; V29-H162 PolarHBondContact N-O 3.17Å; V29-H162 PolarHBondContact O-N 2.75Å; V29-V164 HydrophobicContact CB-CG2 4.46Å; V29-V164 HydrophobicContact CG1-CG2 3.59Å
30	V	85.7	Confident	62.5	Low	79 Å²	79	99.8 Å²	99.8	48%	0.479	55%	0.546	S	S	.	.			trans	-110.7	111.4	162.8	-178.8	0	0	0	0	106.6	V32 A161	V30-V32 PolarHBondContact O-N 3.42Å; V30-A161 HydrophobicContact CG2-CB 4.27Å
31	P	84.3	Confident	62.8	Low	6 Å²	6	98.1 Å²	98.1	4%	0.039	54%	0.542	C	S	.	.			trans	-66.3	129.7	178.5	-21.3	34.4	0	0	0	111.4	V29 Y61 R62 L63 L131 I144 G160 H162	V29-P31 HydrophobicContact CG1-CG 4.44Å; P31-Y61 HydrophobicContact CB-CD1 4.39Å; P31-R62 WeakPolarHBondContact CA-O 3.48Å; P31-L63 HydrophobicContact CB-CD2 3.6Å; P31-L63 HydrophobicContact CG-CD2 3.64Å; P31-L131 HydrophobicContact CB-CD1 3.3Å; P31-L131 HydrophobicContact CG-CD1 3.54Å; P31-I144 HydrophobicContact CG-CD1 4.29Å; P31-G160 WeakPolarHBondContact CD-O 3.17Å; P31-H162 WeakPolarHBondContact CD-CE1 3.39Å; P31-H162 VanDerWaalsContact CD-ND1 3.25Å; P31-H162 WeakPolarHBondContact CD-ND1 3.25Å; P31-H162 HydrophobicContact CG-CB 4.23Å; P31-H162 VanDerWaalsContact CG-CE1 3.45Å; P31-H162 WeakPolarHBondContact CG-CE1 3.01Å; P31-H162 WeakPolarHBondContact CG-ND1 3.25Å
32	V	85.6	Confident	63.3	Low	65 Å²	65	96.4 Å²	96.4	39%	0.394	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.6	176.8	-177	0	0	0	0	108.9	V30 L34 R62	V30-V32 PolarHBondContact O-N 3.42Å; V32-L34 HydrophobicContact CG1-CD2 4.27Å; V32-L34 WeakPolarHBondContact O-CD2 3.02Å; V32-R62 HydrophobicContact CB-CB 4.35Å; V32-R62 PolarHBondContact N-O 3.42Å; V32-R62 PolarHBondContact O-N 3Å
33	R	82.1	Confident	63.6	Low	86 Å²	86	95.1 Å²	95.1	33%	0.325	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.1	171.8	-166.8	173.3	176.1	-176.7	-3.9	109.6	D35 L60 Y61 E158	R33-D35 HydrophobicContact CG-CB 4.28Å; R33-D35 IonicContact CZ-OD2 2.74Å; R33-D35 VanDerWaalsContact NE-CG 3.32Å; R33-D35 IonicContact NE-OD1 3.72Å; R33-D35 IonicContact NE-OD2 3.96Å; R33-D35 PolarHBondContact NE-OD2 2.82Å; R33-D35 IonicContact NH2-OD2 2.7Å; R33-D35 PolarHBondContact NH2-OD2 3.38Å; R33-L60 CarbonylContact C-O 3.59Å; R33-L60 WeakPolarHBondContact CA-O 3.4Å; R33-Y61 HydrophobicContact CB-CD1 3.89Å; R33-Y61 HydrophobicContact CB-CE1 3.7Å; R33-Y61 HydrophobicContact CG-CD1 4.21Å; R33-Y61 HydrophobicContact CG-CE1 3.79Å; R33-E158 VanDerWaalsContact CD-OE2 3.31Å; R33-E158 WeakPolarHBondContact CD-OE2 3.26Å; R33-E158 IonicContact CZ-OE2 3.1Å; R33-E158 IonicContact NE-OE2 3.12Å; R33-E158 IonicContact NH1-OE1 3.73Å; R33-E158 PolarHBondContact NH1-OE1 3.01Å; R33-E158 IonicContact NH1-OE2 2.69Å; R33-E158 PolarHBondContact NH1-OE2 3.26Å
34	L	81.5	Confident	63.7	Low	52 Å²	52	103.2 Å²	103.2	27%	0.272	55%	0.548	S	S	.	.			trans	-108.9	6.2	-172.5	-53.3	-175	0	0	0	113.6	V32 Q36 L60 R62 V71	V32-L34 HydrophobicContact CG1-CD2 4.27Å; V32-L34 WeakPolarHBondContact O-CD2 3.02Å; L34-Q36 PolarHBondContact O-N 3.09Å; L34-Q36 VanDerWaalsContact O-N 3.1Å; L34-L60 HydrophobicContact CB-CB 3.83Å; L34-L60 HydrophobicContact CD1-CB 4.31Å; L34-L60 HydrophobicContact CG-CB 4.32Å; L34-L60 PolarHBondContact N-O 2.91Å; L34-R62 HydrophobicContact CD1-CB 4.27Å; L34-R62 HydrophobicContact CD2-CB 4.02Å; L34-R62 VanDerWaalsContact CD2-NH2 3.28Å; L34-R62 HydrophobicContact CG-CB 4.37Å; L34-V71 HydrophobicContact CD1-CG1 3.98Å
35	D	62.2	Low	63.4	Low	55 Å²	55	108.1 Å²	108.1	29%	0.294	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	109.7	-172.3	-61.9	15.2	0	0	0	111.5	R33 R59 L60	R33-D35 HydrophobicContact CG-CB 4.28Å; R33-D35 IonicContact CZ-OD2 2.74Å; R33-D35 VanDerWaalsContact NE-CG 3.32Å; R33-D35 IonicContact NE-OD1 3.72Å; R33-D35 IonicContact NE-OD2 3.96Å; R33-D35 PolarHBondContact NE-OD2 2.82Å; R33-D35 IonicContact NH2-OD2 2.7Å; R33-D35 PolarHBondContact NH2-OD2 3.38Å; D35-R59 WeakPolarHBondContact OD2-CD 2.94Å; D35-L60 PolarHBondContact OD1-N 3.22Å
36	Q	57.6	Low	62.4	Low	196 Å²	196	108.8 Å²	108.8	92%	0.916	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.1	70.8	167.9	-61.9	-169.3	-5.6	0	0	118.2	L34	L34-Q36 PolarHBondContact O-N 3.09Å; L34-Q36 VanDerWaalsContact O-N 3.1Å
37	S	46.6	Very low	61	Low	108 Å²	108	106.6 Å²	106.6	76%	0.755	57%	0.573	S	S	*	*	S	Bend	trans	-146.9	149.9	133.7	55.5	0	0	0	0	111.1
38	E	44	Very low	59.9	Low	201 Å²	201	107.6 Å²	107.6	94%	0.939	58%	0.579	S	S	*	*	S	Bend	trans	65.4	52.2	175.6	-54.3	-164.2	150.5	0	0	118.3
39	S	38.2	Very low	58.6	Low	121 Å²	121	107 Å²	107	85%	0.846	58%	0.584	S	S	*	*			trans	-117.4	125.1	141.2	60.1	0	0	0	0	109.7
40	A	35.6	Very low	57	Low	100 Å²	100	114.3 Å²	114.3	83%	0.826	62%	0.617	S	S	*	*			trans	-87	151	179.9	0	0	0	0	0	111	E42	A40-E42 PolarHBondContact O-N 2.02Å
41	S	38.1	Very low	55.5	Low	110 Å²	110	115 Å²	115	77%	0.769	62%	0.615	S	S	*	*			trans	-64.6	118.5	-175.4	55.4	0	0	0	0	113.9	P43	S41-P43 WeakPolarHBondContact O-CD 3.22Å
42	E	43.4	Very low	54.2	Low	178 Å²	178	120.5 Å²	120.5	83%	0.832	64%	0.64	S	S	*	*			trans	-87.9	104.3	158.9	-84.7	-89.9	125.6	0	0	108.5	A40 W44	A40-E42 PolarHBondContact O-N 2.02Å; E42-W44 PolarHBondContact O-N 3.43Å
43	P	44.6	Very low	53	Low	95 Å²	95	123.2 Å²	123.2	62%	0.617	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	12.7	-159.5	-21.9	35.7	0	0	0	118.3	S41	S41-P43 WeakPolarHBondContact O-CD 3.22Å
44	W	48.5	Very low	51.8	Low	244 Å²	244	124 Å²	124	92%	0.924	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	21.3	-164.3	-59.2	110.2	0	0	0	116	E42	E42-W44 PolarHBondContact O-N 3.43Å
45	R	45.3	Very low	50.8	Low	214 Å²	214	128.1 Å²	128.1	81%	0.808	67%	0.672	S	S	*	*			trans	-111.2	113.4	163.5	-77.3	-169.7	174.8	-148.1	0.2	110.9	L47	R45-L47 PolarHBondContact O-N 3.36Å
46	T	50.5	Low	50.7	Low	144 Å²	144	128.6 Å²	128.6	88%	0.883	68%	0.684	S	S	*	*			trans	-78.8	107.6	157	49.1	0	0	0	0	108
47	L	52.8	Low	51.3	Low	58 Å²	58	123 Å²	123	30%	0.304	66%	0.658	S	S	.	*			trans	-67.7	153	166.7	-65.2	175.3	0	0	0	109.5	R45 E51 E52	R45-L47 PolarHBondContact O-N 3.36Å; L47-E51 HydrophobicContact CB-CB 4.11Å; L47-E51 HydrophobicContact CD2-CB 4.2Å; L47-E52 HydrophobicContact CB-CG 3.8Å; L47-E52 HydrophobicContact CD1-CG 4.24Å
48	S	60.2	Low	52.8	Low	52 Å²	52	119 Å²	119	36%	0.364	63%	0.629	S	S	.	*			trans	-76.8	158.8	166.1	62.4	0	0	0	0	110.9	E50 E51 E52	S48-E50 PolarHBondContact O-N 2.92Å; S48-E51 WeakPolarHBondContact CB-OE2 3.21Å; S48-E51 PolarHBondContact N-OE2 2.82Å; S48-E51 WeakPolarHBondContact O-CA 3.41Å; S48-E51 WeakPolarHBondContact O-CB 3.24Å; S48-E51 PolarHBondContact O-N 2.91Å; S48-E51 VanDerWaalsContact OG-CG 3.32Å; S48-E51 WeakPolarHBondContact OG-CG 2.99Å; S48-E51 PolarHBondContact OG-N 3.3Å; S48-E51 PolarHBondContact OG-OE2 2.89Å; S48-E52 PolarHBondContact O-N 3.2Å
49	A	56.5	Low	54.7	Low	75 Å²	75	112.5 Å²	112.5	62%	0.62	60%	0.596	S	S	*	*	H	α-helix	trans	-59.4	-32.3	178.3	0	0	0	0	0	112.8	E53	A49-E53 VanDerWaalsContact O-CB 3.29Å; A49-E53 WeakPolarHBondContact O-CB 3.48Å; A49-E53 PolarHBondContact O-N 2.93Å
50	E	54.3	Low	57.1	Low	161 Å²	161	109.5 Å²	109.5	75%	0.752	57%	0.57	S	S	*	*	H	α-helix	trans	-68.8	-32.6	173.6	-64.4	-177.6	132.9	0	0	112.2	S48 K54	S48-E50 PolarHBondContact O-N 2.92Å; E50-K54 WeakPolarHBondContact O-CB 3.48Å; E50-K54 PolarHBondContact O-N 2.86Å
51	E	54.4	Low	59.6	Low	94 Å²	94	105.8 Å²	105.8	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-74.7	-41.5	174.5	-73.1	164.7	124.1	0	0	111.8	L47 S48 K54 E55	L47-E51 HydrophobicContact CB-CB 4.11Å; L47-E51 HydrophobicContact CD2-CB 4.2Å; S48-E51 WeakPolarHBondContact CB-OE2 3.21Å; S48-E51 PolarHBondContact N-OE2 2.82Å; S48-E51 WeakPolarHBondContact O-CA 3.41Å; S48-E51 WeakPolarHBondContact O-CB 3.24Å; S48-E51 PolarHBondContact O-N 2.91Å; S48-E51 VanDerWaalsContact OG-CG 3.32Å; S48-E51 WeakPolarHBondContact OG-CG 2.99Å; S48-E51 PolarHBondContact OG-N 3.3Å; S48-E51 PolarHBondContact OG-OE2 2.89Å; E51-K54 PolarHBondContact O-N 3.27Å; E51-E55 PolarHBondContact O-N 2.89Å
52	E	56.6	Low	62.1	Low	121 Å²	121	105.2 Å²	105.2	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-62.7	-44.1	174.5	-67	-172.3	145	0	0	111.6	L47 S48 K54 E55 A56	L47-E52 HydrophobicContact CB-CG 3.8Å; L47-E52 HydrophobicContact CD1-CG 4.24Å; S48-E52 PolarHBondContact O-N 3.2Å; E52-K54 VanDerWaalsContact C-N 3.35Å; E52-E55 PolarHBondContact O-N 3.08Å; E52-A56 WeakPolarHBondContact O-CB 3.37Å; E52-A56 PolarHBondContact O-N 3.4Å
53	E	59.2	Low	64.3	Low	123 Å²	123	96.7 Å²	96.7	58%	0.575	48%	0.476	S	S	*	.	H	α-helix	trans	-66.5	-36.4	176.3	-176.3	161.4	-148.1	0	0	111.8	A49 A56 Q57	A49-E53 VanDerWaalsContact O-CB 3.29Å; A49-E53 WeakPolarHBondContact O-CB 3.48Å; A49-E53 PolarHBondContact O-N 2.93Å; E53-A56 PolarHBondContact O-N 3.43Å; E53-Q57 VanDerWaalsContact O-CG 3.32Å; E53-Q57 WeakPolarHBondContact O-CG 3.24Å; E53-Q57 PolarHBondContact O-N 2.86Å; E53-Q57 VanDerWaalsContact O-N 3.14Å
54	K	57	Low	66.4	Low	103 Å²	103	96 Å²	96	45%	0.448	47%	0.467	S	S	.	.	H	α-helix	trans	-69.6	-41.5	175.4	178.2	163.8	171	139.7	0	113.2	E50 E51 E52 A56 Q57 T58 E75	E50-K54 WeakPolarHBondContact O-CB 3.48Å; E50-K54 PolarHBondContact O-N 2.86Å; E51-K54 PolarHBondContact O-N 3.27Å; E52-K54 VanDerWaalsContact C-N 3.35Å; K54-A56 VanDerWaalsContact C-N 3.33Å; K54-Q57 PolarHBondContact O-N 3.16Å; K54-T58 PolarHBondContact O-N 3.37Å; K54-T58 PolarHBondContact O-OG1 2.74Å; K54-E75 VanDerWaalsContact CE-CD 3.42Å; K54-E75 WeakPolarHBondContact CE-OE1 3.32Å; K54-E75 WeakPolarHBondContact CE-OE2 3.25Å; K54-E75 IonicContact NZ-OE1 3.97Å; K54-E75 PolarHBondContact NZ-OE1 3.15Å; K54-E75 IonicContact NZ-OE2 2.74Å; K54-E75 PolarHBondContact NZ-OE2 2.71Å
55	E	60.5	Low	68.2	Low	137 Å²	137	84.4 Å²	84.4	64%	0.64	42%	0.423	S	S	*	.	H	α-helix	trans	-63.6	-40.1	173.3	-74.8	-163.6	158.5	0	0	111.1	E51 E52 Q57 T58	E51-E55 PolarHBondContact O-N 2.89Å; E52-E55 PolarHBondContact O-N 3.08Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 3.19Å; E55-T58 PolarHBondContact O-N 3.01Å
56	A	61.2	Low	70.1	Confident	65 Å²	65	76.7 Å²	76.7	54%	0.537	40%	0.395	S	S	.	.	H	α-helix	trans	-64.2	-27.1	176.7	0	0	0	0	0	114.1	E52 E53 K54 R59	E52-A56 WeakPolarHBondContact O-CB 3.37Å; E52-A56 PolarHBondContact O-N 3.4Å; E53-A56 PolarHBondContact O-N 3.43Å; K54-A56 VanDerWaalsContact C-N 3.33Å; A56-R59 PolarHBondContact O-NH1 3.1Å; A56-R59 PolarHBondContact O-NH2 2.92Å
57	Q	69.1	Low	71.5	Confident	80 Å²	80	74 Å²	74	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-92.4	-20.6	179.4	-70.7	-176	34.5	0	0	114.2	E53 K54 E55 P76	E53-Q57 VanDerWaalsContact O-CG 3.32Å; E53-Q57 WeakPolarHBondContact O-CG 3.24Å; E53-Q57 PolarHBondContact O-N 2.86Å; E53-Q57 VanDerWaalsContact O-N 3.14Å; K54-Q57 PolarHBondContact O-N 3.16Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 3.19Å; Q57-P76 HydrophobicContact CB-CG 3.96Å
58	T	78.4	Confident	72.9	Confident	24 Å²	24	74.4 Å²	74.4	15%	0.147	40%	0.395	C	S	.	.			trans	-67.6	142.7	178.7	-59.5	0	0	0	0	111.8	K54 E55 Q73 L74	K54-T58 PolarHBondContact O-N 3.37Å; K54-T58 PolarHBondContact O-OG1 2.74Å; E55-T58 PolarHBondContact O-N 3.01Å; T58-Q73 HydrophobicContact CG2-CG 4.2Å; T58-L74 CarbonylContact C-O 3.51Å; T58-L74 WeakPolarHBondContact CA-O 3.3Å
59	R	84.6	Confident	74.3	Confident	63 Å²	63	78.5 Å²	78.5	24%	0.238	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.5	176.9	-57.4	-66.2	169.3	-105.1	-1.9	110.8	D35 A56 Y61 L74 F111 L127	D35-R59 WeakPolarHBondContact OD2-CD 2.94Å; A56-R59 PolarHBondContact O-NH1 3.1Å; A56-R59 PolarHBondContact O-NH2 2.92Å; R59-Y61 HydrophobicContact CB-CD2 4.49Å; R59-Y61 HydrophobicContact CB-CE2 3.97Å; R59-L74 HydrophobicContact CB-CB 4.44Å; R59-L74 PolarHBondContact N-O 3.22Å; R59-L74 PolarHBondContact O-N 3Å; R59-F111 HydrophobicContact CG-CD1 4.25Å; R59-F111 HydrophobicContact CG-CE1 3.66Å; R59-F111 HydrophobicContact CG-CZ 4.28Å; R59-L127 HydrophobicContact CB-CD1 4.33Å; R59-L127 HydrophobicContact CG-CD1 4.16Å
60	L	88	Confident	76	Confident	58 Å²	58	75 Å²	75	30%	0.304	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.2	-177.6	-76.7	162	0	0	0	111.1	R33 L34 D35 V71 L72 Q73	R33-L60 CarbonylContact C-O 3.59Å; R33-L60 WeakPolarHBondContact CA-O 3.4Å; L34-L60 HydrophobicContact CB-CB 3.83Å; L34-L60 HydrophobicContact CD1-CB 4.31Å; L34-L60 HydrophobicContact CG-CB 4.32Å; L34-L60 PolarHBondContact N-O 2.91Å; D35-L60 PolarHBondContact OD1-N 3.22Å; L60-V71 HydrophobicContact CD2-CG1 3.95Å; L60-L72 WeakPolarHBondContact CA-O 3.08Å; L60-Q73 HydrophobicContact CD2-CB 3.74Å; L60-Q73 HydrophobicContact CD2-CG 3.92Å
61	Y	88.9	Confident	77.7	Confident	23 Å²	23	69.2 Å²	69.2	9%	0.09	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.1	179	-68.1	-87.9	0	0	0	112.3	P31 R33 R59 V71 L72 L74 L127 L131	P31-Y61 HydrophobicContact CB-CD1 4.39Å; R33-Y61 HydrophobicContact CB-CD1 3.89Å; R33-Y61 HydrophobicContact CB-CE1 3.7Å; R33-Y61 HydrophobicContact CG-CD1 4.21Å; R33-Y61 HydrophobicContact CG-CE1 3.79Å; R59-Y61 HydrophobicContact CB-CD2 4.49Å; R59-Y61 HydrophobicContact CB-CE2 3.97Å; Y61-V71 CarbonylContact O-C 3.6Å; Y61-V71 WeakPolarHBondContact O-CA 3.34Å; Y61-L72 PolarHBondContact N-O 2.75Å; Y61-L72 PolarHBondContact O-N 3.03Å; Y61-L74 HydrophobicContact CD2-CD1 4.07Å; Y61-L74 HydrophobicContact CE2-CD1 4.44Å; Y61-L127 HydrophobicContact CE2-CD1 3.87Å; Y61-L127 HydrophobicContact CE2-CD2 3.9Å; Y61-L131 HydrophobicContact CD1-CD1 3.68Å; Y61-L131 HydrophobicContact CD2-CD1 4.37Å; Y61-L131 HydrophobicContact CD2-CD2 4.06Å; Y61-L131 HydrophobicContact CE1-CD1 4.07Å; Y61-L131 HydrophobicContact CE2-CD2 4.33Å; Y61-L131 HydrophobicContact CG-CD1 3.83Å; Y61-L131 HydrophobicContact CG-CD2 4.28Å
62	R	90.3	Very high	79.5	Confident	97 Å²	97	64.8 Å²	64.8	37%	0.366	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.6	173.9	-169.6	-164.2	-56.3	136.4	-1.1	110.8	P31 V32 L34 L70 V71	P31-R62 WeakPolarHBondContact CA-O 3.48Å; V32-R62 HydrophobicContact CB-CB 4.35Å; V32-R62 PolarHBondContact N-O 3.42Å; V32-R62 PolarHBondContact O-N 3Å; L34-R62 HydrophobicContact CD1-CB 4.27Å; L34-R62 HydrophobicContact CD2-CB 4.02Å; L34-R62 VanDerWaalsContact CD2-NH2 3.28Å; L34-R62 HydrophobicContact CG-CB 4.37Å; R62-L70 CarbonylContact C-O 3.52Å; R62-L70 WeakPolarHBondContact CA-O 3.38Å; R62-V71 HydrophobicContact CG-CG2 4.44Å
63	L	90.4	Very high	81	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.1	172.6	-57	-177.8	0	0	0	109.8	V29 P31 V65 L70 L72 F135 I144	V29-L63 HydrophobicContact CG1-CD2 4.08Å; V29-L63 HydrophobicContact CG2-CB 4.27Å; V29-L63 HydrophobicContact CG2-CD2 4.3Å; P31-L63 HydrophobicContact CB-CD2 3.6Å; P31-L63 HydrophobicContact CG-CD2 3.64Å; L63-V65 HydrophobicContact CB-CG1 4.22Å; L63-V65 PolarHBondContact O-N 2.82Å; L63-L70 HydrophobicContact CB-CB 4.46Å; L63-L70 PolarHBondContact N-O 2.96Å; L63-L70 PolarHBondContact O-N 2.83Å; L63-L72 HydrophobicContact CD1-CD1 3.67Å; L63-L72 HydrophobicContact CD1-CG 4.12Å; L63-L72 HydrophobicContact CG-CD1 4.11Å; L63-L72 HydrophobicContact CG-CG 4.43Å; L63-F135 HydrophobicContact CD1-CD1 4.44Å; L63-F135 HydrophobicContact CD1-CE1 3.45Å; L63-F135 VanDerWaalsContact CD1-CE1 3.45Å; L63-F135 HydrophobicContact CD1-CZ 3.53Å; L63-I144 HydrophobicContact CD1-CD1 3.84Å; L63-I144 HydrophobicContact CD2-CD1 3.77Å; L63-I144 HydrophobicContact CG-CD1 4.5Å
64	D	88	Confident	82.3	Confident	80 Å²	80	56.8 Å²	56.8	43%	0.428	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	89.1	169.7	-74.8	-11.7	0	0	0	108.6	V29 K68 K69	V29-D64 WeakPolarHBondContact CG2-O 3.38Å; D64-K68 CarbonylContact C-O 3.59Å; D64-K69 WeakPolarHBondContact OD1-CD 3.47Å; D64-K69 WeakPolarHBondContact OD1-CG 3.38Å; D64-K69 IonicContact OD1-NZ 3.62Å; D64-K69 PolarHBondContact OD1-NZ 2.74Å; D64-K69 IonicContact OD2-NZ 2.85Å; D64-K69 PolarHBondContact OD2-NZ 2.83Å
65	V	86.9	Confident	83.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.3	-164.2	72.9	0	0	0	0	112.9	V29 L63 G67 K68 L70 V164	V29-V65 HydrophobicContact CB-CB 4.42Å; V29-V65 HydrophobicContact CB-CG2 4.41Å; V29-V65 HydrophobicContact CG2-CB 4.35Å; L63-V65 HydrophobicContact CB-CG1 4.22Å; L63-V65 PolarHBondContact O-N 2.82Å; V65-G67 PolarHBondContact O-N 2.88Å; V65-K68 PolarHBondContact N-O 3.37Å; V65-K68 PolarHBondContact O-N 2.97Å; V65-K68 VanDerWaalsContact O-O 3.12Å; V65-L70 HydrophobicContact CG1-CD1 3.88Å; V65-L70 HydrophobicContact CG1-CG 4.46Å; V65-V164 HydrophobicContact CG2-CB 3.71Å; V65-V164 HydrophobicContact CG2-CG1 4.07Å; V65-V164 HydrophobicContact CG2-CG2 3.81Å
66	F	85.3	Confident	84.4	Confident	51 Å²	51	50.8 Å²	50.8	22%	0.224	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	29.5	-174.1	-57.7	-72.2	0	0	0	114.8	K25 S27 K68 Y142 V164 R166	K25-F66 HydrophobicContact CB-CE1 3.83Å; K25-F66 HydrophobicContact CB-CZ 4.43Å; K25-F66 WeakPolarHBondContact O-CZ 3.4Å; S27-F66 VanDerWaalsContact CB-CE1 3.45Å; F66-K68 VanDerWaalsContact C-N 3.27Å; F66-K68 PolarHBondContact O-N 2.92Å; F66-Y142 HydrophobicContact CD2-CD1 4.1Å; F66-Y142 AromaticContact CD2-CE1 3.96Å; F66-Y142 HydrophobicContact CD2-CE1 3.96Å; F66-Y142 HydrophobicContact CE2-CD1 4.15Å; F66-Y142 HydrophobicContact CE2-CE1 4.44Å; F66-V164 HydrophobicContact CE2-CB 4.26Å; F66-V164 HydrophobicContact CE2-CG1 3.98Å; F66-V164 WeakPolarHBondContact CZ-O 3.29Å; F66-R166 HydrophobicContact CD2-CB 4.36Å; F66-R166 HydrophobicContact CE2-CB 3.74Å; F66-R166 HydrophobicContact CE2-CG 4.46Å; F66-R166 HydrophobicContact CZ-CB 3.87Å
67	G	79	Confident	84.7	Confident	87 Å²	87	49.8 Å²	49.8	90%	0.897	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	2.8	-175.9	0	0	0	0	0	115.3	V65	V65-G67 PolarHBondContact O-N 2.88Å
68	K	83.3	Confident	84	Confident	67 Å²	67	53.1 Å²	53.1	29%	0.291	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.6	169.5	-64.3	-169.8	178.5	-174.5	0	110.1	D64 V65 F66 L70 F137	D64-K68 CarbonylContact C-O 3.59Å; V65-K68 PolarHBondContact N-O 3.37Å; V65-K68 PolarHBondContact O-N 2.97Å; V65-K68 VanDerWaalsContact O-O 3.12Å; F66-K68 VanDerWaalsContact C-N 3.27Å; F66-K68 PolarHBondContact O-N 2.92Å; K68-L70 HydrophobicContact CB-CD2 4.08Å; K68-L70 HydrophobicContact CB-CG 4.22Å; K68-L70 HydrophobicContact CD-CD2 4.42Å; K68-F137 HydrophobicContact CD-CD1 4.41Å; K68-F137 HydrophobicContact CD-CE1 4.13Å
69	K	88.9	Confident	82.7	Confident	138 Å²	138	58 Å²	58	60%	0.6	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.8	164.1	-57.2	-162.1	164.7	-99	0	108.2	D64	D64-K69 WeakPolarHBondContact OD1-CD 3.47Å; D64-K69 WeakPolarHBondContact OD1-CG 3.38Å; D64-K69 IonicContact OD1-NZ 3.62Å; D64-K69 PolarHBondContact OD1-NZ 2.74Å; D64-K69 IonicContact OD2-NZ 2.85Å; D64-K69 PolarHBondContact OD2-NZ 2.83Å
70	L	91.1	Very high	80.8	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.9	-178.3	-55.6	-179.7	0	0	0	109.1	R62 L63 V65 K68 V115 N116 F135 F137 Y142	R62-L70 CarbonylContact C-O 3.52Å; R62-L70 WeakPolarHBondContact CA-O 3.38Å; L63-L70 HydrophobicContact CB-CB 4.46Å; L63-L70 PolarHBondContact N-O 2.96Å; L63-L70 PolarHBondContact O-N 2.83Å; V65-L70 HydrophobicContact CG1-CD1 3.88Å; V65-L70 HydrophobicContact CG1-CG 4.46Å; K68-L70 HydrophobicContact CB-CD2 4.08Å; K68-L70 HydrophobicContact CB-CG 4.22Å; K68-L70 HydrophobicContact CD-CD2 4.42Å; L70-V115 HydrophobicContact CB-CG1 3.89Å; L70-V115 HydrophobicContact CD1-CG1 4.48Å; L70-V115 HydrophobicContact CD2-CG1 4.21Å; L70-V115 HydrophobicContact CG-CG1 4.42Å; L70-N116 WeakPolarHBondContact CA-OD1 3.45Å; L70-F135 HydrophobicContact CD1-CE2 3.63Å; L70-F135 HydrophobicContact CD1-CZ 4.22Å; L70-F137 HydrophobicContact CD1-CD1 4.41Å; L70-F137 HydrophobicContact CD2-CD1 3.47Å; L70-F137 VanDerWaalsContact CD2-CD1 3.47Å; L70-F137 HydrophobicContact CD2-CE1 3.34Å; L70-F137 HydrophobicContact CD2-CE2 4.4Å; L70-F137 HydrophobicContact CD2-CG 4.07Å; L70-F137 HydrophobicContact CD2-CZ 3.85Å; L70-Y142 HydrophobicContact CD1-CE1 4.33Å
71	V	91.6	Very high	78.2	Confident	41 Å²	41	63.3 Å²	63.3	25%	0.248	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.8	176.3	-178.9	0	0	0	0	108.9	L34 L60 Y61 R62 V115 N116	L34-V71 HydrophobicContact CD1-CG1 3.98Å; L60-V71 HydrophobicContact CD2-CG1 3.95Å; Y61-V71 CarbonylContact O-C 3.6Å; Y61-V71 WeakPolarHBondContact O-CA 3.34Å; R62-V71 HydrophobicContact CG-CG2 4.44Å; V71-V115 CarbonylContact O-C 3.26Å; V71-V115 WeakPolarHBondContact O-CA 3.27Å; V71-N116 PolarHBondContact N-OD1 2.89Å; V71-N116 PolarHBondContact O-N 2.83Å
72	L	90.5	Very high	75.4	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.4	171.8	-56.5	173.5	0	0	0	108.4	L60 Y61 L63 L74 T114 V115 A123 L125 L131 F135	L60-L72 WeakPolarHBondContact CA-O 3.08Å; Y61-L72 PolarHBondContact N-O 2.75Å; Y61-L72 PolarHBondContact O-N 3.03Å; L63-L72 HydrophobicContact CD1-CD1 3.67Å; L63-L72 HydrophobicContact CD1-CG 4.12Å; L63-L72 HydrophobicContact CG-CD1 4.11Å; L63-L72 HydrophobicContact CG-CG 4.43Å; L72-L74 HydrophobicContact CB-CD1 4.26Å; L72-L74 HydrophobicContact CB-CD2 4.23Å; L72-L74 HydrophobicContact CB-CG 4.12Å; L72-T114 WeakPolarHBondContact CA-O 3.18Å; L72-V115 HydrophobicContact CD2-CG1 4.49Å; L72-V115 HydrophobicContact CD2-CG2 4Å; L72-A123 HydrophobicContact CD2-CB 4.09Å; L72-L125 HydrophobicContact CD1-CD1 3.65Å; L72-L131 HydrophobicContact CD1-CD2 4.06Å; L72-F135 HydrophobicContact CD2-CB 4.11Å; L72-F135 HydrophobicContact CD2-CD1 3.95Å; L72-F135 HydrophobicContact CD2-CD2 4.25Å; L72-F135 HydrophobicContact CD2-CE1 4.42Å; L72-F135 HydrophobicContact CD2-CG 3.85Å
73	Q	89.9	Confident	72.4	Confident	76 Å²	76	68 Å²	68	36%	0.355	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.1	171.8	178.3	177.7	-0.5	0	0	108	T58 L60 G113 T114	T58-Q73 HydrophobicContact CG2-CG 4.2Å; L60-Q73 HydrophobicContact CD2-CB 3.74Å; L60-Q73 HydrophobicContact CD2-CG 3.92Å; Q73-G113 CarbonylContact O-C 3.56Å; Q73-G113 VanDerWaalsContact O-CA 3.22Å; Q73-G113 WeakPolarHBondContact O-CA 3.47Å; Q73-T114 PolarHBondContact N-O 2.98Å; Q73-T114 PolarHBondContact O-N 2.87Å
74	L	85.8	Confident	69.9	Low	0 Å²	0	70.8 Å²	70.8	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.1	-162.8	-56.1	178.5	0	0	0	111.6	T58 R59 Y61 L72 F111 A123 L125 L127 L131	T58-L74 CarbonylContact C-O 3.51Å; T58-L74 WeakPolarHBondContact CA-O 3.3Å; R59-L74 HydrophobicContact CB-CB 4.44Å; R59-L74 PolarHBondContact N-O 3.22Å; R59-L74 PolarHBondContact O-N 3Å; Y61-L74 HydrophobicContact CD2-CD1 4.07Å; Y61-L74 HydrophobicContact CE2-CD1 4.44Å; L72-L74 HydrophobicContact CB-CD1 4.26Å; L72-L74 HydrophobicContact CB-CD2 4.23Å; L72-L74 HydrophobicContact CB-CG 4.12Å; L74-F111 HydrophobicContact CB-CB 4.03Å; L74-F111 HydrophobicContact CB-CD1 4.28Å; L74-A123 HydrophobicContact CD2-CB 3.71Å; L74-L125 HydrophobicContact CD1-CB 4.48Å; L74-L125 HydrophobicContact CD1-CD1 3.68Å; L74-L125 HydrophobicContact CD2-CD1 3.9Å; L74-L125 HydrophobicContact CG-CD1 4.44Å; L74-L127 HydrophobicContact CD1-CD2 4.33Å; L74-L131 HydrophobicContact CD1-CD2 4.28Å
75	E	84.8	Confident	67.5	Low	69 Å²	69	71.8 Å²	71.8	32%	0.322	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.8	177.7	-60.6	-179.8	-166.4	0	0	109.6	K54 F111 S112	K54-E75 VanDerWaalsContact CE-CD 3.42Å; K54-E75 WeakPolarHBondContact CE-OE1 3.32Å; K54-E75 WeakPolarHBondContact CE-OE2 3.25Å; K54-E75 IonicContact NZ-OE1 3.97Å; K54-E75 PolarHBondContact NZ-OE1 3.15Å; K54-E75 IonicContact NZ-OE2 2.74Å; K54-E75 PolarHBondContact NZ-OE2 2.71Å; E75-F111 CarbonylContact O-C 3.53Å; E75-F111 WeakPolarHBondContact O-CA 3.14Å; E75-F111 WeakPolarHBondContact O-CB 3.22Å; E75-S112 PolarHBondContact N-O 2.99Å; E75-S112 PolarHBondContact O-N 3.11Å
76	P	77.2	Confident	64.9	Low	45 Å²	45	75.9 Å²	75.9	29%	0.292	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.9	-178.5	-15.3	28	0	0	0	112.5	Q57 F111	Q57-P76 HydrophobicContact CB-CG 3.96Å; P76-F111 HydrophobicContact CB-CD1 4.4Å; P76-F111 HydrophobicContact CB-CE1 4.15Å; P76-F111 HydrophobicContact CB-CZ 4.46Å; P76-F111 HydrophobicContact CG-CD1 4.17Å; P76-F111 HydrophobicContact CG-CE1 3.67Å; P76-F111 HydrophobicContact CG-CZ 4.23Å
77	D	66.8	Low	62.5	Low	45 Å²	45	78.3 Å²	78.3	24%	0.241	45%	0.448	C	S	.	.			trans	-123.4	103.3	-177.4	-161.7	-29.7	0	0	0	111.7	T79 F110 S112	D77-T79 WeakPolarHBondContact OD1-CB 3Å; D77-T79 PolarHBondContact OD1-N 2.84Å; D77-T79 PolarHBondContact OD1-OG1 2.03Å; D77-F110 PolarHBondContact N-O 3.47Å; D77-S112 PolarHBondContact OD2-OG 3.04Å
78	Q	54.5	Low	60.8	Low	150 Å²	150	78.1 Å²	78.1	70%	0.701	42%	0.424	S	S	*	.			trans	-92.4	2.8	177.5	-60.8	-165.7	13.8	0	0	113.5	F80	Q78-F80 PolarHBondContact O-N 3.21Å
79	T	51.3	Low	58.7	Low	125 Å²	125	78 Å²	78	77%	0.767	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-7.7	-176.4	68.6	0	0	0	0	113.9	D77	D77-T79 WeakPolarHBondContact OD1-CB 3Å; D77-T79 PolarHBondContact OD1-N 2.84Å; D77-T79 PolarHBondContact OD1-OG1 2.03Å
80	F	44.1	Very low	56.2	Low	140 Å²	140	72.9 Å²	72.9	61%	0.614	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-19.2	-161.1	-157.6	-111.9	0	0	0	116	Q78	Q78-F80 PolarHBondContact O-N 3.21Å
81	L	34.2	Very low	53.3	Low	94 Å²	94	73.3 Å²	73.3	49%	0.492	41%	0.413	S	S	.	.			trans	-137.3	137.6	-172.4	-67.9	175.1	0	0	0	113.7	A105 F110	L81-A105 HydrophobicContact CD1-CB 4.1Å; L81-F110 HydrophobicContact CD1-CE2 4.06Å
82	A	29.2	Very low	50.5	Low	80 Å²	80	74.7 Å²	74.7	66%	0.661	42%	0.424	S	S	*	.			trans	-104	147.1	172.4	0	0	0	0	0	111.4
83	P	26.9	Very low	47.7	Very low	138 Å²	138	80.3 Å²	80.3	90%	0.896	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	140	-175.6	-20.3	32.6	0	0	0	113.8
84	G	37.8	Very low	45.1	Very low	59 Å²	59	85.2 Å²	85.2	61%	0.608	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	28.5	171	0	0	0	0	0	116.1	K431	G84-K431 PolarHBondContact O-NZ 2.79Å
85	F	38.3	Very low	42.4	Very low	100 Å²	100	90.4 Å²	90.4	44%	0.439	52%	0.521	S	S	.	.			trans	-82.1	146.5	173.4	-176.1	-131.3	0	0	0	111.9	F87 K241	F85-F87 HydrophobicContact CD1-CB 4.32Å; F85-F87 HydrophobicContact CE1-CB 3.63Å; F85-F87 AromaticContact CE1-CD2 3.96Å; F85-F87 HydrophobicContact CE1-CD2 3.96Å; F85-F87 AromaticContact CE1-CG 3.96Å; F85-F87 HydrophobicContact CE1-CG 3.96Å; F85-F87 HydrophobicContact CZ-CB 3.92Å; F85-F87 AromaticContact CZ-CD2 3.62Å; F85-F87 HydrophobicContact CZ-CD2 3.62Å; F85-F87 HydrophobicContact CZ-CE2 4.5Å; F85-F87 HydrophobicContact CZ-CG 4.08Å; F85-K241 VanDerWaalsContact CE2-NZ 3.33Å; F85-K241 VanDerWaalsContact CZ-NZ 3.28Å
86	V	33.6	Very low	39.6	Very low	87 Å²	87	91.5 Å²	91.5	53%	0.527	54%	0.541	S	S	.	.			trans	-126.1	129.4	166.3	-177.5	0	0	0	0	106.6	H88	V86-H88 WeakPolarHBondContact CG1-NE2 3.46Å
87	F	33.5	Very low	37.6	Very low	102 Å²	102	95.6 Å²	95.6	45%	0.447	57%	0.568	S	S	.	*			trans	-113.3	109.6	-178.4	-168	-136.5	0	0	0	109.5	F85 V89	F85-F87 HydrophobicContact CD1-CB 4.32Å; F85-F87 HydrophobicContact CE1-CB 3.63Å; F85-F87 AromaticContact CE1-CD2 3.96Å; F85-F87 HydrophobicContact CE1-CD2 3.96Å; F85-F87 AromaticContact CE1-CG 3.96Å; F85-F87 HydrophobicContact CE1-CG 3.96Å; F85-F87 HydrophobicContact CZ-CB 3.92Å; F85-F87 AromaticContact CZ-CD2 3.62Å; F85-F87 HydrophobicContact CZ-CD2 3.62Å; F85-F87 HydrophobicContact CZ-CE2 4.5Å; F85-F87 HydrophobicContact CZ-CG 4.08Å; F87-V89 HydrophobicContact CD1-CG2 3.56Å; F87-V89 HydrophobicContact CE1-CG2 3.37Å; F87-V89 HydrophobicContact CG-CG2 4.38Å; F87-V89 HydrophobicContact CZ-CG2 4.08Å; F87-V89 PolarHBondContact O-N 3.37Å
88	H	42.9	Very low	35.8	Very low	84 Å²	84	100 Å²	100	39%	0.389	60%	0.596	S	S	.	*			trans	-93.2	84.7	177.4	-71.9	-62.5	0	0	0	110.3	V86 L272 E310	V86-H88 WeakPolarHBondContact CG1-NE2 3.46Å; H88-L272 HydrophobicContact CB-CD2 3.57Å; H88-E310 IonicContact NE2-OE1 2.82Å
89	V	40.6	Very low	34.4	Very low	63 Å²	63	103.6 Å²	103.6	38%	0.382	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.1	125.7	162.4	179.2	0	0	0	0	108	F87 Y275	F87-V89 HydrophobicContact CD1-CG2 3.56Å; F87-V89 HydrophobicContact CE1-CG2 3.37Å; F87-V89 HydrophobicContact CG-CG2 4.38Å; F87-V89 HydrophobicContact CZ-CG2 4.08Å; F87-V89 PolarHBondContact O-N 3.37Å; V89-Y275 HydrophobicContact CG1-CD2 4.15Å
90	V	35	Very low	33.6	Very low	32 Å²	32	107.7 Å²	107.7	19%	0.194	61%	0.614	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	110.9	169.6	-170.9	0	0	0	0	107.1	R279	V90-R279 HydrophobicContact CG1-CB 3.68Å
91	G	31.5	Very low	32.8	Very low	10 Å²	10	105.1 Å²	105.1	10%	0.103	62%	0.619	C	S	.	*			trans	105.8	87.3	-172	0	0	0	0	0	112.9	E276	G91-E276 VanDerWaalsContact C-CD 3.49Å; G91-E276 WeakPolarHBondContact CA-OE1 3.36Å; G91-E276 WeakPolarHBondContact CA-OE2 3.39Å
92	S	33.1	Very low	32.7	Very low	69 Å²	69	110.5 Å²	110.5	48%	0.483	64%	0.641	S	S	.	*			trans	-134.5	147.4	158.6	62.7	0	0	0	0	109.7	E94 E276 R279	S92-E94 PolarHBondContact O-N 3Å; S92-E276 WeakPolarHBondContact CA-OE1 3.3Å; S92-E276 PolarHBondContact N-OE1 3.1Å; S92-R279 PolarHBondContact O-NH2 2.91Å
93	P	30.9	Very low	32.6	Very low	119 Å²	119	110.2 Å²	110.2	77%	0.773	65%	0.646	S	S	*	*			trans	-68.4	118.7	178	26.6	-33.8	0	0	0	110.4
94	E	34.7	Very low	32.8	Very low	178 Å²	178	107.9 Å²	107.9	83%	0.832	64%	0.638	S	S	*	*			trans	-72.8	130.7	178.4	-69.1	-170.8	165.6	0	0	111.9	S92	S92-E94 PolarHBondContact O-N 3Å
95	S	29.1	Very low	32.8	Very low	110 Å²	110	108.3 Å²	108.3	77%	0.769	64%	0.636	S	S	*	*			trans	-146.4	126.8	148.2	64.2	0	0	0	0	110.8
96	A	26.8	Very low	33.1	Very low	92 Å²	92	110 Å²	110	76%	0.76	65%	0.646	S	S	*	*	S	Bend	trans	65.1	140.7	-179.2	0	0	0	0	0	117.7	V98	A96-V98 PolarHBondContact O-N 2.81Å
97	P	34.1	Very low	33.8	Very low	130 Å²	130	111.5 Å²	111.5	84%	0.844	66%	0.657	S	S	*	*			trans	-80.1	112.4	178.5	31.6	-33.4	0	0	0	111.5	R99	P97-R99 PolarHBondContact O-N 2.06Å
98	V	28.5	Very low	35	Very low	138 Å²	138	108.3 Å²	108.3	84%	0.836	65%	0.653	S	S	*	*			trans	-72.8	116.4	170.7	179.4	0	0	0	0	108.9	A96	A96-V98 PolarHBondContact O-N 2.81Å
99	R	25.7	Very low	36.2	Very low	226 Å²	226	104.9 Å²	104.9	85%	0.853	64%	0.638	S	S	*	*			trans	-61.2	152.2	167.3	-81.6	173.1	144	174.2	-7.8	110	P97 A101	P97-R99 PolarHBondContact O-N 2.06Å; R99-A101 PolarHBondContact O-N 3.45Å
100	E	35.3	Very low	37.6	Very low	210 Å²	210	105.1 Å²	105.1	98%	0.981	63%	0.634	S	S	*	*			trans	-47.9	113.7	168.2	-63.7	171.9	128.5	0	0	110.4
101	A	26.6	Very low	39.9	Very low	87 Å²	87	104.7 Å²	104.7	72%	0.719	63%	0.63	S	S	*	*			trans	-144.9	140.1	177.6	0	0	0	0	0	108.1	R99 G103	R99-A101 PolarHBondContact O-N 3.45Å; A101-G103 PolarHBondContact O-N 2.89Å
102	E	32.1	Very low	42.3	Very low	206 Å²	206	106.4 Å²	106.4	96%	0.963	64%	0.64	S	S	*	*			trans	-75.4	90.2	-168	-66.3	166.6	117.3	0	0	111.6	A104	E102-A104 PolarHBondContact O-N 2.81Å
103	G	27.6	Very low	44.9	Very low	75 Å²	75	104.3 Å²	104.3	77%	0.773	63%	0.63	S	S	*	*			trans	-93.6	67.8	177	0	0	0	0	0	113.2	A101	A101-G103 PolarHBondContact O-N 2.89Å
104	A	31.6	Very low	47.6	Very low	88 Å²	88	100.6 Å²	100.6	73%	0.727	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-64.7	137.8	162.3	0	0	0	0	0	109.1	E102 E106	E102-A104 PolarHBondContact O-N 2.81Å; A104-E106 PolarHBondContact O-N 3.08Å; A104-E106 VanDerWaalsContact O-N 3.14Å
105	A	37.7	Very low	50.2	Low	69 Å²	69	92.1 Å²	92.1	57%	0.57	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-63.4	117	175.7	0	0	0	0	0	109.5	L81 P107	L81-A105 HydrophobicContact CD1-CB 4.1Å; A105-P107 WeakPolarHBondContact O-CD 3.42Å
106	E	43.2	Very low	53	Low	135 Å²	135	90.1 Å²	90.1	63%	0.631	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-64.3	118.4	-174.9	-70	-164.6	135	0	0	111.3	A104 G108	A104-E106 PolarHBondContact O-N 3.08Å; A104-E106 VanDerWaalsContact O-N 3.14Å; E106-G108 PolarHBondContact O-N 3.48Å
107	P	50	Low	55.4	Low	118 Å²	118	87.7 Å²	87.7	77%	0.766	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	111.1	-178.8	29.2	-32.8	0	0	0	109.9	A105	A105-P107 WeakPolarHBondContact O-CD 3.42Å
108	G	58.7	Low	57.5	Low	35 Å²	35	85 Å²	85	36%	0.361	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	131.4	-7.1	180	0	0	0	0	0	115.2	E106 F111	E106-G108 PolarHBondContact O-N 3.48Å; G108-F111 WeakPolarHBondContact O-CE2 3.24Å
109	C	68	Low	59.6	Low	12 Å²	12	88.4 Å²	88.4	8%	0.081	51%	0.51	C	S	.	.			trans	-77	-19.3	-177.6	-70	0	0	0	0	116	N126 L127 C128	C109-N126 WeakPolarHBondContact O-CA 3.45Å; C109-N126 PolarHBondContact O-OD1 2.8Å; C109-L127 PolarHBondContact O-N 3.25Å; C109-L127 VanDerWaalsContact O-N 3.1Å; C109-C128 WeakPolarHBondContact CA-SG 3.14Å; C109-C128 HydrophobicContact CB-CB 3.8Å; C109-C128 WeakPolarHBondContact CB-SG 3.45Å; C109-C128 WeakPolarHBondContact SG-CB 3.3Å; C109-C128 CovalentContact SG-SG 2.03Å; C109-C128 PolarHBondContact SG-SG 2.03Å
110	F	69.3	Low	61.6	Low	69 Å²	69	88.4 Å²	88.4	30%	0.303	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.5	-174.3	-64.3	-83.6	0	0	0	111.3	D77 L81	D77-F110 PolarHBondContact N-O 3.47Å; L81-F110 HydrophobicContact CD1-CE2 4.06Å
111	F	82.6	Confident	63.7	Low	22 Å²	22	78.9 Å²	78.9	10%	0.096	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.2	178.8	-67.1	-109.8	0	0	0	110.8	R59 L74 E75 P76 G108 L125 L127	R59-F111 HydrophobicContact CG-CD1 4.25Å; R59-F111 HydrophobicContact CG-CE1 3.66Å; R59-F111 HydrophobicContact CG-CZ 4.28Å; L74-F111 HydrophobicContact CB-CB 4.03Å; L74-F111 HydrophobicContact CB-CD1 4.28Å; E75-F111 CarbonylContact O-C 3.53Å; E75-F111 WeakPolarHBondContact O-CA 3.14Å; E75-F111 WeakPolarHBondContact O-CB 3.22Å; P76-F111 HydrophobicContact CB-CD1 4.4Å; P76-F111 HydrophobicContact CB-CE1 4.15Å; P76-F111 HydrophobicContact CB-CZ 4.46Å; P76-F111 HydrophobicContact CG-CD1 4.17Å; P76-F111 HydrophobicContact CG-CE1 3.67Å; P76-F111 HydrophobicContact CG-CZ 4.23Å; G108-F111 WeakPolarHBondContact O-CE2 3.24Å; F111-L125 PolarHBondContact N-O 2.95Å; F111-L125 PolarHBondContact O-N 2.96Å; F111-L127 HydrophobicContact CD1-CD1 4.11Å; F111-L127 HydrophobicContact CD2-CB 4.22Å; F111-L127 HydrophobicContact CD2-CD1 3.54Å; F111-L127 HydrophobicContact CD2-CG 3.68Å; F111-L127 HydrophobicContact CE1-CD1 4.15Å; F111-L127 HydrophobicContact CE2-CB 4.18Å; F111-L127 HydrophobicContact CE2-CD1 3.62Å; F111-L127 HydrophobicContact CE2-CG 4.01Å; F111-L127 HydrophobicContact CG-CD1 3.84Å; F111-L127 HydrophobicContact CG-CG 4.24Å; F111-L127 HydrophobicContact CZ-CD1 3.93Å
112	S	82.4	Confident	66.2	Low	46 Å²	46	77.3 Å²	77.3	32%	0.322	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	157.3	172.2	62.6	0	0	0	0	110.3	E75 D77 A123	E75-S112 PolarHBondContact N-O 2.99Å; E75-S112 PolarHBondContact O-N 3.11Å; D77-S112 PolarHBondContact OD2-OG 3.04Å; S112-A123 CarbonylContact C-O 3.59Å; S112-A123 WeakPolarHBondContact CA-O 3.44Å
113	G	87.4	Confident	68.6	Low	26 Å²	26	67.7 Å²	67.7	27%	0.268	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-156.3	-172.5	0	0	0	0	0	116.1	Q73 A122 A123	Q73-G113 CarbonylContact O-C 3.56Å; Q73-G113 VanDerWaalsContact O-CA 3.22Å; Q73-G113 WeakPolarHBondContact O-CA 3.47Å; G113-A122 CarbonylContact O-C 3.46Å; G113-A122 WeakPolarHBondContact O-CA 3.44Å; G113-A123 PolarHBondContact N-O 2.89Å; G113-A123 PolarHBondContact O-N 2.78Å
114	T	88.8	Confident	70.9	Confident	40 Å²	40	67.1 Å²	67.1	25%	0.245	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	167.7	-173.8	64.8	0	0	0	0	112.8	L72 Q73	L72-T114 WeakPolarHBondContact CA-O 3.18Å; Q73-T114 PolarHBondContact N-O 2.98Å; Q73-T114 PolarHBondContact O-N 2.87Å
115	V	88.7	Confident	73.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.6	175.7	-165.8	0	0	0	0	108.8	L70 V71 L72 G117 E118 S121 F135 F137	L70-V115 HydrophobicContact CB-CG1 3.89Å; L70-V115 HydrophobicContact CD1-CG1 4.48Å; L70-V115 HydrophobicContact CD2-CG1 4.21Å; L70-V115 HydrophobicContact CG-CG1 4.42Å; V71-V115 CarbonylContact O-C 3.26Å; V71-V115 WeakPolarHBondContact O-CA 3.27Å; L72-V115 HydrophobicContact CD2-CG1 4.49Å; L72-V115 HydrophobicContact CD2-CG2 4Å; V115-G117 PolarHBondContact O-N 3.39Å; V115-G117 VanDerWaalsContact O-N 3.08Å; V115-E118 PolarHBondContact O-N 2.75Å; V115-S121 PolarHBondContact N-OG 2.91Å; V115-S121 PolarHBondContact O-OG 3.44Å; V115-F135 HydrophobicContact CG2-CB 4Å; V115-F135 HydrophobicContact CG2-CD2 3.93Å; V115-F135 HydrophobicContact CG2-CG 4.3Å; V115-F137 HydrophobicContact CB-CB 4.42Å; V115-F137 HydrophobicContact CB-CD2 3.84Å; V115-F137 HydrophobicContact CB-CG 4.43Å; V115-F137 HydrophobicContact CG1-CB 4.27Å; V115-F137 HydrophobicContact CG1-CD2 3.75Å; V115-F137 HydrophobicContact CG1-CE2 4.31Å; V115-F137 HydrophobicContact CG1-CG 4.08Å; V115-F137 HydrophobicContact CG2-CB 4.46Å
116	N	87.9	Confident	74.9	Confident	68 Å²	68	62 Å²	62	36%	0.364	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	18.8	-175.3	-60	-19.6	0	0	0	114.6	L70 V71 E118 F137	L70-N116 WeakPolarHBondContact CA-OD1 3.45Å; V71-N116 PolarHBondContact N-OD1 2.89Å; V71-N116 PolarHBondContact O-N 2.83Å; N116-E118 HydrophobicContact CB-CG 4.42Å; N116-E118 PolarHBondContact O-N 2.86Å; N116-F137 HydrophobicContact CB-CE2 4.35Å; N116-F137 WeakPolarHBondContact ND2-CE2 3.21Å; N116-F137 VanDerWaalsContact ND2-CZ 3.3Å; N116-F137 WeakPolarHBondContact ND2-CZ 3.36Å
117	G	76.4	Confident	76.6	Confident	41 Å²	41	56.9 Å²	56.9	42%	0.423	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	9.4	-172.2	0	0	0	0	0	114.4	V115 K119	V115-G117 PolarHBondContact O-N 3.39Å; V115-G117 VanDerWaalsContact O-N 3.08Å; G117-K119 PolarHBondContact O-N 3.11Å
118	E	79.9	Confident	77.4	Confident	75 Å²	75	54.1 Å²	54.1	35%	0.35	31%	0.307	S	S	.	.			trans	-74	119.6	-177.6	-71.9	-173	-154.4	0	0	111.2	V115 N116 R120 S121 F137	V115-E118 PolarHBondContact O-N 2.75Å; N116-E118 HydrophobicContact CB-CG 4.42Å; N116-E118 PolarHBondContact O-N 2.86Å; E118-R120 PolarHBondContact O-N 2.64Å; E118-S121 WeakPolarHBondContact O-CB 3.22Å; E118-S121 PolarHBondContact O-N 3Å; E118-S121 PolarHBondContact O-OG 2.96Å; E118-F137 HydrophobicContact CG-CE2 4.43Å; E118-F137 VanDerWaalsContact OE1-CE2 3.26Å; E118-F137 WeakPolarHBondContact OE1-CE2 3.06Å
119	K	71.5	Confident	77.8	Confident	209 Å²	209	59.9 Å²	59.9	91%	0.909	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-2.6	178.9	-64.1	-172.5	177.1	-174.1	0	116.1	G117	G117-K119 PolarHBondContact O-N 3.11Å
120	R	68.9	Low	78	Confident	225 Å²	225	60.4 Å²	60.4	85%	0.849	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	8.7	174.3	-69	-173.4	174.9	-171.5	-2.2	112.9	E118 Y136	E118-R120 PolarHBondContact O-N 2.64Å; R120-Y136 WeakPolarHBondContact O-CD1 3.06Å; R120-Y136 WeakPolarHBondContact O-CE1 3.47Å
121	S	79	Confident	78.5	Confident	11 Å²	11	57.3 Å²	57.3	8%	0.077	32%	0.319	C	S	.	.			trans	-105.6	157.8	170.4	71.1	0	0	0	0	109.6	V115 E118 Y136	V115-S121 PolarHBondContact N-OG 2.91Å; V115-S121 PolarHBondContact O-OG 3.44Å; E118-S121 WeakPolarHBondContact O-CB 3.22Å; E118-S121 PolarHBondContact O-N 3Å; E118-S121 PolarHBondContact O-OG 2.96Å; S121-Y136 WeakPolarHBondContact CA-O 3.13Å; S121-Y136 VanDerWaalsContact CB-O 3.28Å; S121-Y136 WeakPolarHBondContact CB-O 3.34Å
122	A	77.7	Confident	78.2	Confident	54 Å²	54	58.9 Å²	58.9	45%	0.446	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	148.9	175.1	0	0	0	0	0	109.5	G113 F135 Y136	G113-A122 CarbonylContact O-C 3.46Å; G113-A122 WeakPolarHBondContact O-CA 3.44Å; A122-F135 CarbonylContact O-C 3.56Å; A122-F135 WeakPolarHBondContact O-CA 3.34Å; A122-F135 WeakPolarHBondContact O-CB 3.29Å; A122-Y136 PolarHBondContact N-O 3.26Å; A122-Y136 PolarHBondContact O-N 3.07Å
123	A	82.4	Confident	77.9	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.033	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.5	171.8	0	0	0	0	0	109.5	L72 L74 S112 G113 L125 F135	L72-A123 HydrophobicContact CD2-CB 4.09Å; L74-A123 HydrophobicContact CD2-CB 3.71Å; S112-A123 CarbonylContact C-O 3.59Å; S112-A123 WeakPolarHBondContact CA-O 3.44Å; G113-A123 PolarHBondContact N-O 2.89Å; G113-A123 PolarHBondContact O-N 2.78Å; A123-L125 HydrophobicContact CB-CD1 4.14Å; A123-F135 HydrophobicContact CB-CB 3.75Å
124	A	77	Confident	77.3	Confident	62 Å²	62	57.7 Å²	57.7	51%	0.512	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	111.6	176.1	0	0	0	0	0	108.6	G134	A124-G134 PolarHBondContact N-O 2.86Å; A124-G134 PolarHBondContact O-N 2.84Å
125	L	79.3	Confident	77.2	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136	-161.3	-67.7	161	0	0	0	111.2	L72 L74 F111 A123 L131 I144	L72-L125 HydrophobicContact CD1-CD1 3.65Å; L74-L125 HydrophobicContact CD1-CB 4.48Å; L74-L125 HydrophobicContact CD1-CD1 3.68Å; L74-L125 HydrophobicContact CD2-CD1 3.9Å; L74-L125 HydrophobicContact CG-CD1 4.44Å; F111-L125 PolarHBondContact N-O 2.95Å; F111-L125 PolarHBondContact O-N 2.96Å; A123-L125 HydrophobicContact CB-CD1 4.14Å; L125-L131 HydrophobicContact CD1-CD2 3.82Å; L125-L131 HydrophobicContact CD2-CD2 4.48Å; L125-I144 HydrophobicContact CD2-CG2 3.41Å; L125-I144 VanDerWaalsContact CD2-CG2 3.41Å
126	N	73.9	Confident	76.6	Confident	45 Å²	45	61 Å²	61	24%	0.241	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	137.5	160.7	-175.6	-13	0	0	0	108.3	C109 C128 T132	C109-N126 WeakPolarHBondContact O-CA 3.45Å; C109-N126 PolarHBondContact O-OD1 2.8Å; N126-C128 PolarHBondContact OD1-N 3.4Å; N126-T132 PolarHBondContact N-O 3.44Å; N126-T132 PolarHBondContact O-N 2.87Å
127	L	78.1	Confident	76.4	Confident	27 Å²	27	58 Å²	58	14%	0.141	32%	0.318	C	S	.	.			trans	-108.9	-17.1	178.2	-62.6	-173.7	0	0	0	114.3	R59 Y61 L74 C109 F111 H129 G130 L131	R59-L127 HydrophobicContact CB-CD1 4.33Å; R59-L127 HydrophobicContact CG-CD1 4.16Å; Y61-L127 HydrophobicContact CE2-CD1 3.87Å; Y61-L127 HydrophobicContact CE2-CD2 3.9Å; L74-L127 HydrophobicContact CD1-CD2 4.33Å; C109-L127 PolarHBondContact O-N 3.25Å; C109-L127 VanDerWaalsContact O-N 3.1Å; F111-L127 HydrophobicContact CD1-CD1 4.11Å; F111-L127 HydrophobicContact CD2-CB 4.22Å; F111-L127 HydrophobicContact CD2-CD1 3.54Å; F111-L127 HydrophobicContact CD2-CG 3.68Å; F111-L127 HydrophobicContact CE1-CD1 4.15Å; F111-L127 HydrophobicContact CE2-CB 4.18Å; F111-L127 HydrophobicContact CE2-CD1 3.62Å; F111-L127 HydrophobicContact CE2-CG 4.01Å; F111-L127 HydrophobicContact CG-CD1 3.84Å; F111-L127 HydrophobicContact CG-CG 4.24Å; F111-L127 HydrophobicContact CZ-CD1 3.93Å; L127-H129 PolarHBondContact O-N 3.2Å; L127-H129 VanDerWaalsContact O-N 3.15Å; L127-G130 PolarHBondContact O-N 2.88Å; L127-L131 HydrophobicContact CD2-CD2 3.39Å; L127-L131 HydrophobicContact CD2-CG 3.82Å
128	C	67.3	Low	76.6	Confident	60 Å²	60	61.2 Å²	61.2	41%	0.405	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17	-168.7	-75.5	0	0	0	0	114.9	C109 N126	C109-C128 WeakPolarHBondContact CA-SG 3.14Å; C109-C128 HydrophobicContact CB-CB 3.8Å; C109-C128 WeakPolarHBondContact CB-SG 3.45Å; C109-C128 WeakPolarHBondContact SG-CB 3.3Å; C109-C128 CovalentContact SG-SG 2.03Å; C109-C128 PolarHBondContact SG-SG 2.03Å; N126-C128 PolarHBondContact OD1-N 3.4Å
129	H	67.1	Low	75.6	Confident	156 Å²	156	60 Å²	60	72%	0.722	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	33.4	171.5	-57.2	-29.9	0	0	0	111.4	L127	L127-H129 PolarHBondContact O-N 3.2Å; L127-H129 VanDerWaalsContact O-N 3.15Å
130	G	72.3	Confident	75.6	Confident	23 Å²	23	51.5 Å²	51.5	24%	0.237	29%	0.293	C	S	.	.	S	Bend	trans	82	164.1	-169.5	0	0	0	0	0	112.8	L127 T132	L127-G130 PolarHBondContact O-N 2.88Å; G130-T132 PolarHBondContact O-N 3.34Å; G130-T132 PolarHBondContact O-OG1 3.26Å
131	L	79.9	Confident	75.6	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	-58.1	99.7	-172.6	-78.9	151.5	0	0	0	111.9	P31 Y61 L72 L74 L125 L127 I144 H162	P31-L131 HydrophobicContact CB-CD1 3.3Å; P31-L131 HydrophobicContact CG-CD1 3.54Å; Y61-L131 HydrophobicContact CD1-CD1 3.68Å; Y61-L131 HydrophobicContact CD2-CD1 4.37Å; Y61-L131 HydrophobicContact CD2-CD2 4.06Å; Y61-L131 HydrophobicContact CE1-CD1 4.07Å; Y61-L131 HydrophobicContact CE2-CD2 4.33Å; Y61-L131 HydrophobicContact CG-CD1 3.83Å; Y61-L131 HydrophobicContact CG-CD2 4.28Å; L72-L131 HydrophobicContact CD1-CD2 4.06Å; L74-L131 HydrophobicContact CD1-CD2 4.28Å; L125-L131 HydrophobicContact CD1-CD2 3.82Å; L125-L131 HydrophobicContact CD2-CD2 4.48Å; L127-L131 HydrophobicContact CD2-CD2 3.39Å; L127-L131 HydrophobicContact CD2-CG 3.82Å; L131-I144 HydrophobicContact CB-CD1 4.13Å; L131-I144 HydrophobicContact CB-CG1 4.48Å; L131-H162 PolarHBondContact O-CD2 2.9Å; L131-H162 VanDerWaalsContact O-CD2 3.27Å
132	T	75.6	Confident	75.8	Confident	56 Å²	56	42.7 Å²	42.7	34%	0.344	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.8	-176.5	-51.5	0	0	0	0	110.2	N126 G130 I144 P146	N126-T132 PolarHBondContact N-O 3.44Å; N126-T132 PolarHBondContact O-N 2.87Å; G130-T132 PolarHBondContact O-N 3.34Å; G130-T132 PolarHBondContact O-OG1 3.26Å; T132-I144 WeakPolarHBondContact CA-O 3.31Å; T132-P146 WeakPolarHBondContact OG1-CD 3.45Å
133	G	76.3	Confident	75.6	Confident	25 Å²	25	44.7 Å²	44.7	26%	0.258	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.4	-148.3	179.9	0	0	0	0	0	113.4	F143 I144	G133-F143 WeakPolarHBondContact O-CA 3.49Å; G133-I144 PolarHBondContact N-O 2.66Å; G133-I144 PolarHBondContact O-N 2.72Å
134	G	76	Confident	75.6	Confident	22 Å²	22	44.7 Å²	44.7	23%	0.227	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.9	-172.6	0	0	0	0	0	113.6	A124 Y142	A124-G134 PolarHBondContact N-O 2.86Å; A124-G134 PolarHBondContact O-N 2.84Å; G134-Y142 CarbonylContact C-O 3.56Å; G134-Y142 WeakPolarHBondContact CA-O 3.18Å
135	F	86.1	Confident	75.7	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.8	168	63.6	-92.9	0	0	0	111.8	L63 L70 L72 V115 A122 A123 Y142 I144 V164	L63-F135 HydrophobicContact CD1-CD1 4.44Å; L63-F135 HydrophobicContact CD1-CE1 3.45Å; L63-F135 VanDerWaalsContact CD1-CE1 3.45Å; L63-F135 HydrophobicContact CD1-CZ 3.53Å; L70-F135 HydrophobicContact CD1-CE2 3.63Å; L70-F135 HydrophobicContact CD1-CZ 4.22Å; L72-F135 HydrophobicContact CD2-CB 4.11Å; L72-F135 HydrophobicContact CD2-CD1 3.95Å; L72-F135 HydrophobicContact CD2-CD2 4.25Å; L72-F135 HydrophobicContact CD2-CE1 4.42Å; L72-F135 HydrophobicContact CD2-CG 3.85Å; V115-F135 HydrophobicContact CG2-CB 4Å; V115-F135 HydrophobicContact CG2-CD2 3.93Å; V115-F135 HydrophobicContact CG2-CG 4.3Å; A122-F135 CarbonylContact O-C 3.56Å; A122-F135 WeakPolarHBondContact O-CA 3.34Å; A122-F135 WeakPolarHBondContact O-CB 3.29Å; A123-F135 HydrophobicContact CB-CB 3.75Å; F135-Y142 AromaticContact CD2-CD2 3.88Å; F135-Y142 HydrophobicContact CD2-CD2 3.88Å; F135-Y142 AromaticContact CD2-CG 3.95Å; F135-Y142 HydrophobicContact CD2-CG 3.95Å; F135-Y142 AromaticContact CE2-CD1 3.89Å; F135-Y142 HydrophobicContact CE2-CD1 3.89Å; F135-Y142 AromaticContact CE2-CD2 3.65Å; F135-Y142 HydrophobicContact CE2-CD2 3.65Å; F135-Y142 HydrophobicContact CE2-CE2 4.43Å; F135-Y142 AromaticContact CE2-CG 3.36Å; F135-Y142 HydrophobicContact CE2-CG 3.36Å; F135-Y142 VanDerWaalsContact CZ-CB 3.41Å; F135-Y142 HydrophobicContact CZ-CD1 4.12Å; F135-Y142 AromaticContact CZ-CG 3.8Å; F135-Y142 HydrophobicContact CZ-CG 3.8Å; F135-Y142 PolarHBondContact N-O 3.12Å; F135-Y142 PolarHBondContact O-N 2.89Å; F135-Y142 VanDerWaalsContact O-O 3.11Å; F135-I144 HydrophobicContact CD1-CG2 4.25Å; F135-I144 HydrophobicContact CE1-CB 4.27Å; F135-I144 HydrophobicContact CE1-CG2 4.16Å; F135-V164 HydrophobicContact CZ-CG1 4.4Å
136	Y	76.4	Confident	75.7	Confident	100 Å²	100	47.5 Å²	47.5	39%	0.392	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.7	-178.1	170.7	-95.7	0	0	0	110.1	R120 S121 A122 G139 E141	R120-Y136 WeakPolarHBondContact O-CD1 3.06Å; R120-Y136 WeakPolarHBondContact O-CE1 3.47Å; S121-Y136 WeakPolarHBondContact CA-O 3.13Å; S121-Y136 VanDerWaalsContact CB-O 3.28Å; S121-Y136 WeakPolarHBondContact CB-O 3.34Å; A122-Y136 PolarHBondContact N-O 3.26Å; A122-Y136 PolarHBondContact O-N 3.07Å; Y136-G139 WeakPolarHBondContact OH-CA 3.46Å; Y136-G139 PolarHBondContact OH-N 2.8Å; Y136-E141 HydrophobicContact CD2-CG 4.03Å
137	F	84.4	Confident	75.8	Confident	5 Å²	5	48.5 Å²	48.5	2%	0.022	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	118.2	-178	-177.1	-105.2	0	0	0	112.6	K68 L70 V115 N116 E118 E140 Y142	K68-F137 HydrophobicContact CD-CD1 4.41Å; K68-F137 HydrophobicContact CD-CE1 4.13Å; L70-F137 HydrophobicContact CD1-CD1 4.41Å; L70-F137 HydrophobicContact CD2-CD1 3.47Å; L70-F137 VanDerWaalsContact CD2-CD1 3.47Å; L70-F137 HydrophobicContact CD2-CE1 3.34Å; L70-F137 HydrophobicContact CD2-CE2 4.4Å; L70-F137 HydrophobicContact CD2-CG 4.07Å; L70-F137 HydrophobicContact CD2-CZ 3.85Å; V115-F137 HydrophobicContact CB-CB 4.42Å; V115-F137 HydrophobicContact CB-CD2 3.84Å; V115-F137 HydrophobicContact CB-CG 4.43Å; V115-F137 HydrophobicContact CG1-CB 4.27Å; V115-F137 HydrophobicContact CG1-CD2 3.75Å; V115-F137 HydrophobicContact CG1-CE2 4.31Å; V115-F137 HydrophobicContact CG1-CG 4.08Å; V115-F137 HydrophobicContact CG2-CB 4.46Å; N116-F137 HydrophobicContact CB-CE2 4.35Å; N116-F137 WeakPolarHBondContact ND2-CE2 3.21Å; N116-F137 VanDerWaalsContact ND2-CZ 3.3Å; N116-F137 WeakPolarHBondContact ND2-CZ 3.36Å; E118-F137 HydrophobicContact CG-CE2 4.43Å; E118-F137 VanDerWaalsContact OE1-CE2 3.26Å; E118-F137 WeakPolarHBondContact OE1-CE2 3.06Å; F137-E140 PolarHBondContact N-O 3.41Å; F137-E140 PolarHBondContact O-N 2.8Å; F137-Y142 HydrophobicContact CB-CD2 4.37Å; F137-Y142 HydrophobicContact CB-CE2 3.81Å
138	Q	79.9	Confident	74.8	Confident	110 Å²	110	55.1 Å²	55.1	51%	0.514	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	50	175.8	-60.8	177.9	-18	0	0	114.2	E140	Q138-E140 PolarHBondContact O-N 3.46Å
139	G	59.7	Low	73.6	Confident	49 Å²	49	57.9 Å²	57.9	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-19.3	177.7	0	0	0	0	0	115.1	Y136	Y136-G139 WeakPolarHBondContact OH-CA 3.46Å; Y136-G139 PolarHBondContact OH-N 2.8Å
140	E	70.4	Confident	72.3	Confident	31 Å²	31	55.5 Å²	55.5	15%	0.145	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.4	178.8	-54.3	-83.9	100.1	0	0	110.3	F137 Q138 Y142 R166 S168	F137-E140 PolarHBondContact N-O 3.41Å; F137-E140 PolarHBondContact O-N 2.8Å; Q138-E140 PolarHBondContact O-N 3.46Å; E140-Y142 HydrophobicContact CB-CE2 3.74Å; E140-Y142 WeakPolarHBondContact O-CD2 3.29Å; E140-Y142 WeakPolarHBondContact O-CE2 3.26Å; E140-R166 HydrophobicContact CB-CG 4.04Å; E140-R166 IonicContact OE2-CZ 3.41Å; E140-R166 IonicContact OE2-NE 3.6Å; E140-R166 PolarHBondContact OE2-NE 2.88Å; E140-R166 IonicContact OE2-NH2 2.71Å; E140-R166 PolarHBondContact OE2-NH2 2.82Å; E140-S168 WeakPolarHBondContact OE1-CB 3.37Å; E140-S168 PolarHBondContact OE1-OG 2.83Å
141	E	69.4	Low	70.8	Confident	49 Å²	49	62.7 Å²	62.7	23%	0.229	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	143.2	169.9	-71.1	179.5	-176	0	0	111.3	Y136 F143 R166 R167	Y136-E141 HydrophobicContact CD2-CG 4.03Å; E141-F143 HydrophobicContact CB-CE2 4.41Å; E141-R166 WeakPolarHBondContact O-CA 3.5Å; E141-R166 VanDerWaalsContact O-CG 3.23Å; E141-R166 WeakPolarHBondContact O-CG 3.38Å; E141-R167 HydrophobicContact CB-CG 4.33Å; E141-R167 VanDerWaalsContact CD-NH2 3.3Å; E141-R167 PolarHBondContact O-N 2.74Å; E141-R167 IonicContact OE1-NH2 3.83Å; E141-R167 PolarHBondContact OE1-NH2 2.87Å; E141-R167 VanDerWaalsContact OE1-NH2 3.1Å; E141-R167 IonicContact OE2-CZ 3.08Å; E141-R167 IonicContact OE2-NE 3.8Å; E141-R167 PolarHBondContact OE2-NE 2.84Å; E141-R167 IonicContact OE2-NH2 2.69Å; E141-R167 PolarHBondContact OE2-NH2 3.25Å
142	Y	81.9	Confident	68.6	Low	1 Å²	1	70 Å²	70	0%	0.004	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.2	-179.8	-53.5	-109.5	0	0	0	109.4	F66 L70 G134 F135 F137 E140 V164 R165 R166	F66-Y142 HydrophobicContact CD2-CD1 4.1Å; F66-Y142 AromaticContact CD2-CE1 3.96Å; F66-Y142 HydrophobicContact CD2-CE1 3.96Å; F66-Y142 HydrophobicContact CE2-CD1 4.15Å; F66-Y142 HydrophobicContact CE2-CE1 4.44Å; L70-Y142 HydrophobicContact CD1-CE1 4.33Å; G134-Y142 CarbonylContact C-O 3.56Å; G134-Y142 WeakPolarHBondContact CA-O 3.18Å; F135-Y142 AromaticContact CD2-CD2 3.88Å; F135-Y142 HydrophobicContact CD2-CD2 3.88Å; F135-Y142 AromaticContact CD2-CG 3.95Å; F135-Y142 HydrophobicContact CD2-CG 3.95Å; F135-Y142 AromaticContact CE2-CD1 3.89Å; F135-Y142 HydrophobicContact CE2-CD1 3.89Å; F135-Y142 AromaticContact CE2-CD2 3.65Å; F135-Y142 HydrophobicContact CE2-CD2 3.65Å; F135-Y142 HydrophobicContact CE2-CE2 4.43Å; F135-Y142 AromaticContact CE2-CG 3.36Å; F135-Y142 HydrophobicContact CE2-CG 3.36Å; F135-Y142 VanDerWaalsContact CZ-CB 3.41Å; F135-Y142 HydrophobicContact CZ-CD1 4.12Å; F135-Y142 AromaticContact CZ-CG 3.8Å; F135-Y142 HydrophobicContact CZ-CG 3.8Å; F135-Y142 PolarHBondContact N-O 3.12Å; F135-Y142 PolarHBondContact O-N 2.89Å; F135-Y142 VanDerWaalsContact O-O 3.11Å; F137-Y142 HydrophobicContact CB-CD2 4.37Å; F137-Y142 HydrophobicContact CB-CE2 3.81Å; E140-Y142 HydrophobicContact CB-CE2 3.74Å; E140-Y142 WeakPolarHBondContact O-CD2 3.29Å; E140-Y142 WeakPolarHBondContact O-CE2 3.26Å; Y142-V164 HydrophobicContact CD1-CG1 4.25Å; Y142-R165 CarbonylContact C-O 3.5Å; Y142-R165 VanDerWaalsContact CA-O 3.27Å; Y142-R165 WeakPolarHBondContact CA-O 3.34Å; Y142-R166 HydrophobicContact CD1-CB 4.45Å; Y142-R166 HydrophobicContact CD1-CG 3.86Å; Y142-R166 HydrophobicContact CE1-CG 3.81Å; Y142-R166 HydrophobicContact CG-CG 4.26Å
143	F	73.8	Confident	66.6	Low	97 Å²	97	74.9 Å²	74.9	43%	0.425	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.5	172.3	-72.9	-97.4	0	0	0	109	W24 G133 E141 V164 R165	W24-F143 AromaticContact CH2-CD2 3.72Å; W24-F143 HydrophobicContact CH2-CD2 3.72Å; W24-F143 AromaticContact CH2-CE2 3.8Å; W24-F143 HydrophobicContact CH2-CE2 3.8Å; W24-F143 AromaticContact CZ3-CD2 3.85Å; W24-F143 HydrophobicContact CZ3-CD2 3.85Å; W24-F143 HydrophobicContact CZ3-CE2 4.31Å; G133-F143 WeakPolarHBondContact O-CA 3.49Å; E141-F143 HydrophobicContact CB-CE2 4.41Å; F143-V164 CarbonylContact O-C 3.58Å; F143-V164 WeakPolarHBondContact O-CA 3.46Å; F143-R165 PolarHBondContact N-O 2.64Å; F143-R165 PolarHBondContact O-N 2.83Å
144	I	83.4	Confident	64.9	Low	3 Å²	3	79.7 Å²	79.7	2%	0.015	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137	-179.3	-174.3	166.5	0	0	0	110.5	V29 P31 L63 L125 L131 T132 G133 F135 H162 M163 V164	V29-I144 HydrophobicContact CG1-CD1 4.28Å; P31-I144 HydrophobicContact CG-CD1 4.29Å; L63-I144 HydrophobicContact CD1-CD1 3.84Å; L63-I144 HydrophobicContact CD2-CD1 3.77Å; L63-I144 HydrophobicContact CG-CD1 4.5Å; L125-I144 HydrophobicContact CD2-CG2 3.41Å; L125-I144 VanDerWaalsContact CD2-CG2 3.41Å; L131-I144 HydrophobicContact CB-CD1 4.13Å; L131-I144 HydrophobicContact CB-CG1 4.48Å; T132-I144 WeakPolarHBondContact CA-O 3.31Å; G133-I144 PolarHBondContact N-O 2.66Å; G133-I144 PolarHBondContact O-N 2.72Å; F135-I144 HydrophobicContact CD1-CG2 4.25Å; F135-I144 HydrophobicContact CE1-CB 4.27Å; F135-I144 HydrophobicContact CE1-CG2 4.16Å; I144-H162 HydrophobicContact CD1-CB 3.99Å; I144-H162 HydrophobicContact CG1-CB 3.84Å; I144-M163 WeakPolarHBondContact CA-O 3.37Å; I144-V164 HydrophobicContact CB-CG2 4.14Å; I144-V164 HydrophobicContact CD1-CG2 4Å; I144-V164 HydrophobicContact CG1-CG2 3.91Å
145	Q	78.6	Confident	63	Low	80 Å²	80	89.9 Å²	89.9	37%	0.374	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	148.3	177.4	63.1	-176.3	13.6	0	0	110.1	H162 M163	Q145-H162 CarbonylContact O-C 3.53Å; Q145-H162 WeakPolarHBondContact O-CA 3.4Å; Q145-H162 WeakPolarHBondContact O-CB 3.29Å; Q145-M163 HydrophobicContact CG-CB 4.13Å; Q145-M163 PolarHBondContact N-O 3.28Å; Q145-M163 PolarHBondContact O-N 2.71Å
146	P	80.2	Confident	60.8	Low	47 Å²	47	100.7 Å²	100.7	31%	0.305	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	152.6	173.4	27.3	-35.9	0	0	0	112.1	T132	T132-P146 WeakPolarHBondContact OG1-CD 3.45Å
147	L	75.5	Confident	59.2	Low	66 Å²	66	105.5 Å²	105.5	35%	0.346	54%	0.54	S	S	.	.			trans	-96	130.9	169.7	-75.1	160.6	0	0	0	109.6	T28 S149 A161 M163	T28-L147 HydrophobicContact CG2-CD1 3.6Å; L147-S149 PolarHBondContact O-N 3.21Å; L147-A161 WeakPolarHBondContact CB-O 3.4Å; L147-A161 HydrophobicContact CD1-CB 4.07Å; L147-A161 PolarHBondContact N-O 2.9Å; L147-M163 HydrophobicContact CD2-CB 4.02Å; L147-M163 HydrophobicContact CD2-CE 4.4Å; L147-M163 HydrophobicContact CG-CB 4.14Å
148	N	56.5	Low	57.5	Low	165 Å²	165	110.5 Å²	110.5	88%	0.882	56%	0.564	S	S	*	*			trans	-64.5	99.9	178	-79.5	-6.7	0	0	0	111.7	S150	N148-S150 PolarHBondContact O-N 3.47Å; N148-S150 VanDerWaalsContact O-N 3.11Å
149	S	43.4	Very low	56.3	Low	118 Å²	118	113 Å²	113	83%	0.825	58%	0.575	S	S	*	*			trans	-80.7	78.3	170.8	57.4	0	0	0	0	111.2	L147	L147-S149 PolarHBondContact O-N 3.21Å
150	S	38.7	Very low	56.6	Low	106 Å²	106	112.1 Å²	112.1	74%	0.741	57%	0.566	S	S	*	*			trans	-72.4	135.6	160.3	-170.2	0	0	0	0	109.1	N148	N148-S150 PolarHBondContact O-N 3.47Å; N148-S150 VanDerWaalsContact O-N 3.11Å
151	E	40	Very low	57	Low	174 Å²	174	112.5 Å²	112.5	81%	0.813	57%	0.574	S	S	*	*	S	Bend	trans	64.6	85	176.7	-52.3	-168.8	162	0	0	117
152	L	35.4	Very low	57.8	Low	159 Å²	159	110.5 Å²	110.5	83%	0.832	57%	0.565	S	S	*	*				163.6	129.8	110.1	-86.1	161.8	0	0	0	114.6
153	L	33.2	Very low	58	Low	157 Å²	157	112 Å²	112	82%	0.822	57%	0.572	S	S	*	*			trans	67.1	140.4	164.1	-59	174.5	0	0	0	119	R155	L153-R155 PolarHBondContact O-N 3.02Å
154	P	40.7	Very low	58.4	Low	127 Å²	127	107.4 Å²	107.4	83%	0.825	55%	0.552	S	S	*	*			trans	-83.6	113.8	177	32.6	-33.2	0	0	0	112.5
155	R	35.2	Very low	58.3	Low	235 Å²	235	111.5 Å²	111.5	89%	0.887	57%	0.567	S	S	*	*			trans	-139.2	165.9	162.6	-80.6	-170.8	167.5	-177.8	-4.1	109.7	L153 E157	L153-R155 PolarHBondContact O-N 3.02Å; R155-E157 PolarHBondContact O-N 2.95Å
156	R	40.1	Very low	58.1	Low	235 Å²	235	110.1 Å²	110.1	89%	0.887	56%	0.559	S	S	*	*			trans	-46.1	132.1	-171.3	-73.1	178.9	168.9	-176.7	-6	112.8	E158	R156-E158 PolarHBondContact O-N 3.05Å
157	E	43.8	Very low	57.3	Low	201 Å²	201	112.6 Å²	112.6	94%	0.939	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	9.3	-167.3	-63.2	169.4	126.4	0	0	115.2	R155	R155-E157 PolarHBondContact O-N 2.95Å
158	E	47.8	Very low	55.9	Low	111 Å²	111	113.5 Å²	113.5	52%	0.519	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	-12.9	-177	-65.3	-166.7	-172.7	0	0	115	R33 R156	R33-E158 VanDerWaalsContact CD-OE2 3.31Å; R33-E158 WeakPolarHBondContact CD-OE2 3.26Å; R33-E158 IonicContact CZ-OE2 3.1Å; R33-E158 IonicContact NE-OE2 3.12Å; R33-E158 IonicContact NH1-OE1 3.73Å; R33-E158 PolarHBondContact NH1-OE1 3.01Å; R33-E158 IonicContact NH1-OE2 2.69Å; R33-E158 PolarHBondContact NH1-OE2 3.26Å; R156-E158 PolarHBondContact O-N 3.05Å
159	E	54.6	Low	55	Low	163 Å²	163	111.3 Å²	111.3	76%	0.762	55%	0.553	S	S	*	*			trans	-104.9	40.8	-174.7	-64.8	-173.1	153.5	0	0	113.5
160	G	67	Low	54.3	Low	30 Å²	30	110.1 Å²	110.1	31%	0.309	55%	0.55	S	S	.	*			trans	-69.2	149.4	174.1	0	0	0	0	0	113.5	P31 H162	P31-G160 WeakPolarHBondContact CD-O 3.17Å; G160-H162 PolarHBondContact O-CE1 3.45Å; G160-H162 PolarHBondContact O-ND1 2.99Å; G160-H162 PolarHBondContact O-NE2 2.86Å; G160-H162 VanDerWaalsContact O-NE2 3.1Å
161	A	78.5	Confident	53.8	Low	38 Å²	38	109.2 Å²	109.2	31%	0.314	55%	0.549	S	S	.	.			trans	-76.9	143	167.1	0	0	0	0	0	110.4	T28 V30 L147	T28-A161 HydrophobicContact CG2-CB 4.16Å; V30-A161 HydrophobicContact CG2-CB 4.27Å; L147-A161 WeakPolarHBondContact CB-O 3.4Å; L147-A161 HydrophobicContact CD1-CB 4.07Å; L147-A161 PolarHBondContact N-O 2.9Å
162	H	86.3	Confident	53.2	Low	8 Å²	8	108.5 Å²	108.5	4%	0.037	55%	0.55	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.7	141.2	-176.9	-67.6	66.7	0	0	0	110.6	T28 V29 P31 L131 I144 Q145 G160	T28-H162 CarbonylContact C-O 3.46Å; T28-H162 WeakPolarHBondContact CA-O 3.4Å; V29-H162 HydrophobicContact CG1-CB 4.08Å; V29-H162 PolarHBondContact N-O 3.17Å; V29-H162 PolarHBondContact O-N 2.75Å; P31-H162 WeakPolarHBondContact CD-CE1 3.39Å; P31-H162 VanDerWaalsContact CD-ND1 3.25Å; P31-H162 WeakPolarHBondContact CD-ND1 3.25Å; P31-H162 HydrophobicContact CG-CB 4.23Å; P31-H162 VanDerWaalsContact CG-CE1 3.45Å; P31-H162 WeakPolarHBondContact CG-CE1 3.01Å; P31-H162 WeakPolarHBondContact CG-ND1 3.25Å; L131-H162 PolarHBondContact O-CD2 2.9Å; L131-H162 VanDerWaalsContact O-CD2 3.27Å; I144-H162 HydrophobicContact CD1-CB 3.99Å; I144-H162 HydrophobicContact CG1-CB 3.84Å; Q145-H162 CarbonylContact O-C 3.53Å; Q145-H162 WeakPolarHBondContact O-CA 3.4Å; Q145-H162 WeakPolarHBondContact O-CB 3.29Å; G160-H162 PolarHBondContact O-CE1 3.45Å; G160-H162 PolarHBondContact O-ND1 2.99Å; G160-H162 PolarHBondContact O-NE2 2.86Å; G160-H162 VanDerWaalsContact O-NE2 3.1Å
163	M	84.8	Confident	52.7	Low	32 Å²	32	103.7 Å²	103.7	16%	0.158	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.9	169.1	174.8	180	-86.3	0	0	108.9	I144 Q145 L147 R165	I144-M163 WeakPolarHBondContact CA-O 3.37Å; Q145-M163 HydrophobicContact CG-CB 4.13Å; Q145-M163 PolarHBondContact N-O 3.28Å; Q145-M163 PolarHBondContact O-N 2.71Å; L147-M163 HydrophobicContact CD2-CB 4.02Å; L147-M163 HydrophobicContact CD2-CE 4.4Å; L147-M163 HydrophobicContact CG-CB 4.14Å; M163-R165 HydrophobicContact CG-CG 4.38Å; M163-R165 HydrophobicContact SD-CG 4.5Å
164	V	83.9	Confident	52.8	Low	0 Å²	0	101.4 Å²	101.4	0%	0	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.9	170.8	-169.5	0	0	0	0	110.1	E26 S27 V29 V65 F66 F135 Y142 F143 I144	E26-V164 CarbonylContact C-O 3.58Å; E26-V164 WeakPolarHBondContact CA-O 3.5Å; S27-V164 PolarHBondContact N-O 3.32Å; S27-V164 PolarHBondContact O-N 3.17Å; V29-V164 HydrophobicContact CB-CG2 4.46Å; V29-V164 HydrophobicContact CG1-CG2 3.59Å; V65-V164 HydrophobicContact CG2-CB 3.71Å; V65-V164 HydrophobicContact CG2-CG1 4.07Å; V65-V164 HydrophobicContact CG2-CG2 3.81Å; F66-V164 HydrophobicContact CE2-CB 4.26Å; F66-V164 HydrophobicContact CE2-CG1 3.98Å; F66-V164 WeakPolarHBondContact CZ-O 3.29Å; F135-V164 HydrophobicContact CZ-CG1 4.4Å; Y142-V164 HydrophobicContact CD1-CG1 4.25Å; F143-V164 CarbonylContact O-C 3.58Å; F143-V164 WeakPolarHBondContact O-CA 3.46Å; I144-V164 HydrophobicContact CB-CG2 4.14Å; I144-V164 HydrophobicContact CD1-CG2 4Å; I144-V164 HydrophobicContact CG1-CG2 3.91Å
165	R	79.4	Confident	52.3	Low	89 Å²	89	102.9 Å²	102.9	34%	0.336	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.1	177.3	-61.7	-174.7	158.5	142	-1.2	110.9	W24 K25 E26 Y142 F143 M163	W24-R165 HydrophobicContact CD2-CB 4.41Å; W24-R165 HydrophobicContact CE3-CB 3.69Å; W24-R165 HydrophobicContact CZ3-CB 4.11Å; K25-R165 CarbonylContact O-C 3.56Å; K25-R165 WeakPolarHBondContact O-CA 3.15Å; E26-R165 HydrophobicContact CG-CG 4.26Å; E26-R165 IonicContact OE1-CZ 2.68Å; E26-R165 IonicContact OE1-NE 2.78Å; E26-R165 PolarHBondContact OE1-NE 2.92Å; E26-R165 IonicContact OE1-NH2 2.75Å; E26-R165 PolarHBondContact OE1-NH2 3.42Å; Y142-R165 CarbonylContact C-O 3.5Å; Y142-R165 VanDerWaalsContact CA-O 3.27Å; Y142-R165 WeakPolarHBondContact CA-O 3.34Å; F143-R165 PolarHBondContact N-O 2.64Å; F143-R165 PolarHBondContact O-N 2.83Å; M163-R165 HydrophobicContact CG-CG 4.38Å; M163-R165 HydrophobicContact SD-CG 4.5Å
166	R	76	Confident	51.9	Low	51 Å²	51	94.4 Å²	94.4	19%	0.192	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.7	-179.6	-152.8	-175.9	85.5	-162.5	20.4	113.7	W24 K25 F66 E140 E141 Y142	W24-R166 VanDerWaalsContact CE3-C 3.43Å; K25-R166 PolarHBondContact N-O 3.07Å; K25-R166 PolarHBondContact O-N 2.78Å; F66-R166 HydrophobicContact CD2-CB 4.36Å; F66-R166 HydrophobicContact CE2-CB 3.74Å; F66-R166 HydrophobicContact CE2-CG 4.46Å; F66-R166 HydrophobicContact CZ-CB 3.87Å; E140-R166 HydrophobicContact CB-CG 4.04Å; E140-R166 IonicContact OE2-CZ 3.41Å; E140-R166 IonicContact OE2-NE 3.6Å; E140-R166 PolarHBondContact OE2-NE 2.88Å; E140-R166 IonicContact OE2-NH2 2.71Å; E140-R166 PolarHBondContact OE2-NH2 2.82Å; E141-R166 WeakPolarHBondContact O-CA 3.5Å; E141-R166 VanDerWaalsContact O-CG 3.23Å; E141-R166 WeakPolarHBondContact O-CG 3.38Å; Y142-R166 HydrophobicContact CD1-CB 4.45Å; Y142-R166 HydrophobicContact CD1-CG 3.86Å; Y142-R166 HydrophobicContact CE1-CG 3.81Å; Y142-R166 HydrophobicContact CG-CG 4.26Å
167	R	63.5	Low	51.8	Low	99 Å²	99	88.1 Å²	88.1	37%	0.374	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	160.1	175.9	67.1	172.5	178.8	166.4	9.7	113.4	W24 E141	W24-R167 HydrophobicContact CD2-CB 4.22Å; W24-R167 HydrophobicContact CE3-CB 3.84Å; W24-R167 HydrophobicContact CE3-CG 4.37Å; W24-R167 HydrophobicContact CH2-CB 3.99Å; W24-R167 HydrophobicContact CH2-CG 3.67Å; W24-R167 HydrophobicContact CZ2-CB 4.34Å; W24-R167 HydrophobicContact CZ2-CG 4.27Å; W24-R167 HydrophobicContact CZ3-CB 3.71Å; W24-R167 HydrophobicContact CZ3-CG 3.72Å; E141-R167 HydrophobicContact CB-CG 4.33Å; E141-R167 VanDerWaalsContact CD-NH2 3.3Å; E141-R167 PolarHBondContact O-N 2.74Å; E141-R167 IonicContact OE1-NH2 3.83Å; E141-R167 PolarHBondContact OE1-NH2 2.87Å; E141-R167 VanDerWaalsContact OE1-NH2 3.1Å; E141-R167 IonicContact OE2-CZ 3.08Å; E141-R167 IonicContact OE2-NE 3.8Å; E141-R167 PolarHBondContact OE2-NE 2.84Å; E141-R167 IonicContact OE2-NH2 2.69Å; E141-R167 PolarHBondContact OE2-NH2 3.25Å
168	S	44.6	Very low	51.6	Low	85 Å²	85	80 Å²	80	59%	0.594	46%	0.457	S	S	*	.			trans	-152.8	150.5	-180	-154.5	0	0	0	0	109.3	E140	E140-S168 WeakPolarHBondContact OE1-CB 3.37Å; E140-S168 PolarHBondContact OE1-OG 2.83Å
169	R	37.3	Very low	51.8	Low	120 Å²	120	79.1 Å²	79.1	45%	0.453	45%	0.452	S	S	.	.			trans	-108.3	149.9	-163	-83.1	177.4	152.8	-92	-8.4	115.6	E456 D457	R169-E456 IonicContact CZ-OE1 3.15Å; R169-E456 VanDerWaalsContact CZ-OE1 3.28Å; R169-E456 IonicContact CZ-OE2 3.28Å; R169-E456 IonicContact NE-OE1 2.96Å; R169-E456 PolarHBondContact NE-OE1 2.77Å; R169-E456 VanDerWaalsContact NE-OE1 3.15Å; R169-E456 IonicContact NE-OE2 2.68Å; R169-E456 PolarHBondContact NE-OE2 2.8Å; R169-E456 IonicContact NH2-OE1 3.94Å; R169-E456 PolarHBondContact NH2-OE1 2.86Å; R169-E456 IonicContact NH2-OE2 2.68Å; R169-D457 IonicContact CZ-OD2 2.81Å; R169-D457 IonicContact NH1-OD2 2.79Å; R169-D457 PolarHBondContact NH1-OD2 2.83Å
170	A	29.3	Very low	51.5	Low	92 Å²	92	72 Å²	72	76%	0.76	42%	0.42	S	S	*	.			trans	-163.5	119.7	162.2	0	0	0	0	0	115.3
171	A	27.7	Very low	50.2	Low	87 Å²	87	71.3 Å²	71.3	72%	0.719	41%	0.413	S	S	*	.			trans	42.9	124.5	145.9	0	0	0	0	0	124.5
172	L	27.5	Very low	48.2	Very low	160 Å²	160	72.2 Å²	72.2	84%	0.838	41%	0.414	S	S	*	.				177.8	149.3	110	-93.4	167.4	0	0	0	111.8
173	A	26.6	Very low	45.7	Very low	57 Å²	57	76 Å²	76	47%	0.471	44%	0.442	S	S	.	.			trans	-163.5	159.8	-177.7	0	0	0	0	0	114
174	E	33.4	Very low	43.1	Very low	109 Å²	109	82.4 Å²	82.4	51%	0.509	47%	0.471	S	S	.	.			trans	150.4	140.7	162.3	-90.5	159.2	-167.1	0	0	109.6	T477 S478	E174-T477 WeakPolarHBondContact OE1-CA 3.37Å; E174-T477 WeakPolarHBondContact OE1-CB 3.39Å; E174-S478 VanDerWaalsContact CD-OG 3.26Å; E174-S478 PolarHBondContact OE1-N 3.46Å; E174-S478 PolarHBondContact OE1-OG 2.87Å; E174-S478 WeakPolarHBondContact OE2-CB 3.3Å; E174-S478 PolarHBondContact OE2-OG 2.73Å
175	E	30.3	Very low	40.4	Very low	159 Å²	159	90.1 Å²	90.1	74%	0.743	51%	0.512	S	S	*	.			cis	-160.3	157.2	-20	-177	165.6	-150.7	0	0	109.1	Q485	E175-Q485 PolarHBondContact OE1-NE2 3.08Å
176	G	27.8	Very low	37.9	Very low	57 Å²	57	93.4 Å²	93.4	59%	0.588	53%	0.532	S	S	*	.			trans	-170.9	171.7	178.3	0	0	0	0	0	118.9
177	S	36.9	Very low	35.7	Very low	103 Å²	103	99.5 Å²	99.5	72%	0.72	56%	0.562	S	S	*	*			trans	-143.1	130.3	174.3	64.7	0	0	0	0	112.3
178	S	41.2	Very low	33.9	Very low	30 Å²	30	106.2 Å²	106.2	21%	0.21	59%	0.588	C	S	.	*			trans	-96.8	159	-155.7	44.2	0	0	0	0	117.6	D330 L332	S178-D330 CarbonylContact C-O 3.53Å; S178-D330 VanDerWaalsContact CA-O 3.26Å; S178-D330 WeakPolarHBondContact CA-O 3.39Å; S178-D330 WeakPolarHBondContact CB-O 3.41Å; S178-L332 VanDerWaalsContact OG-CD1 3.31Å; S178-L332 WeakPolarHBondContact OG-CD1 3.04Å
179	K	52	Low	32.9	Very low	93 Å²	93	108.9 Å²	108.9	40%	0.404	60%	0.6	S	S	.	*	B	Isolated β-bridge	trans	-132.5	171.6	178.2	-61.8	178.2	-177.9	115.5	0	109.7	D330 T331 L332 S394 T395	K179-D330 HydrophobicContact CB-CB 4.03Å; K179-D330 HydrophobicContact CD-CB 4.25Å; K179-D330 HydrophobicContact CG-CB 4Å; K179-D330 PolarHBondContact N-O 3.4Å; K179-D330 IonicContact NZ-OD2 2.65Å; K179-D330 PolarHBondContact NZ-OD2 2.78Å; K179-T331 WeakPolarHBondContact O-CA 3.47Å; K179-L332 PolarHBondContact O-N 3.26Å; K179-S394 WeakPolarHBondContact CA-O 3.38Å; K179-T395 HydrophobicContact CG-CG2 3.93Å
180	C	47.2	Very low	32.4	Very low	12 Å²	12	108.9 Å²	108.9	8%	0.081	62%	0.616	C	S	.	*			trans	-118.2	145.2	164.9	-56.6	0	0	0	0	110	H363 S394	C180-H363 WeakPolarHBondContact CB-NE2 3.14Å; C180-S394 PolarHBondContact N-O 2.87Å
181	G	39.3	Very low	32.1	Very low	16 Å²	16	113.7 Å²	113.7	17%	0.165	61%	0.614	C	S	.	*			trans	-113.9	126.9	-165.3	0	0	0	0	0	113.5	M334	G181-M334 WeakPolarHBondContact O-CE 3.38Å; G181-M334 WeakPolarHBondContact O-CG 3.08Å
182	V	37.3	Very low	32	Very low	58 Å²	58	117 Å²	117	35%	0.352	62%	0.62	S	S	.	*			trans	-121.1	146.9	174	-177.2	0	0	0	0	109.2	E184 V337	V182-E184 PolarHBondContact O-N 3.12Å; V182-V337 HydrophobicContact CG1-CG2 4.41Å
183	S	33.6	Very low	31.9	Very low	88 Å²	88	117.2 Å²	117.2	62%	0.615	62%	0.621	S	S	*	*			trans	-78.3	98.2	176.7	179.5	0	0	0	0	111.1	D185	S183-D185 PolarHBondContact O-N 2.87Å; S183-D185 VanDerWaalsContact O-N 3.14Å
184	E	30.5	Very low	31.7	Very low	166 Å²	166	123 Å²	123	78%	0.776	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-65.5	-14.6	-173.4	-58.3	-173.6	145.2	0	0	114.9	V182 E186	V182-E184 PolarHBondContact O-N 3.12Å; E184-E186 VanDerWaalsContact C-N 3.3Å; E184-E186 PolarHBondContact O-N 2.92Å
185	D	26.8	Very low	31.3	Very low	161 Å²	161	125.4 Å²	125.4	86%	0.861	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-71	-6	-174.1	-84.6	-48	0	0	0	116.4	S183	S183-D185 PolarHBondContact O-N 2.87Å; S183-D185 VanDerWaalsContact O-N 3.14Å
186	E	27.9	Very low	31.1	Very low	159 Å²	159	125 Å²	125	74%	0.743	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-102.7	16.5	176.1	-70.2	-145.5	121.6	0	0	115.1	E184 R188	E184-E186 VanDerWaalsContact C-N 3.3Å; E184-E186 PolarHBondContact O-N 2.92Å; E186-R188 VanDerWaalsContact C-N 3.33Å; E186-R188 PolarHBondContact O-N 2.82Å
187	E	28.4	Very low	31	Very low	179 Å²	179	125.3 Å²	125.3	84%	0.836	64%	0.644	S	S	*	*			trans	-66.7	81.2	171.4	-86.6	-131.3	131.3	0	0	113.5
188	R	26.3	Very low	30.4	Very low	240 Å²	240	122.5 Å²	122.5	91%	0.906	63%	0.625	S	S	*	*			trans	-137.5	63.1	160.7	-78.7	-158.3	172.9	114.8	2.3	113.8	E186	E186-R188 VanDerWaalsContact C-N 3.33Å; E186-R188 PolarHBondContact O-N 2.82Å
189	V	24.4	Very low	29.8	Very low	140 Å²	140	124.5 Å²	124.5	85%	0.848	63%	0.63	S	S	*	*			trans	-110.4	121.4	159.9	-176.5	0	0	0	0	109	R191	V189-R191 PolarHBondContact O-N 3.1Å
190	P	25.2	Very low	28.5	Very low	121 Å²	121	120 Å²	120	79%	0.786	61%	0.611	S	S	*	*			trans	-64.9	134.1	-176.2	-24	34.5	0	0	0	113.7
191	R	24	Very low	27.7	Very low	193 Å²	193	121.2 Å²	121.2	73%	0.728	62%	0.622	S	S	*	*			trans	-58.5	142	169.3	-65.8	179.6	178.6	-174.9	-2.8	111.1	V189	V189-R191 PolarHBondContact O-N 3.1Å
192	N	24.8	Very low	27.7	Very low	157 Å²	157	125 Å²	125	84%	0.84	64%	0.644	S	S	*	*			trans	158.9	95.7	135.5	-79.8	-5	0	0	0	110.2
193	L	25.9	Very low	27.3	Very low	163 Å²	163	129 Å²	129	85%	0.853	66%	0.663	S	S	*	*			trans	-144.7	103.4	167.9	-78.5	178.2	0	0	0	109.1
194	E	22.4	Very low	27	Very low	178 Å²	178	127.9 Å²	127.9	83%	0.832	66%	0.659	S	S	*	*			trans	-135.4	138.2	165	-73.9	-174.8	128.7	0	0	108.5
195	Q	24.6	Very low	26.9	Very low	160 Å²	160	126.2 Å²	126.2	75%	0.748	66%	0.655	S	S	*	*			trans	60.3	140.9	156.8	-63.9	179.8	-60.9	0	0	119.1
196	E	26.6	Very low	27	Very low	152 Å²	152	125.7 Å²	125.7	71%	0.71	65%	0.648	S	S	*	*			cis	-144.4	-175.5	-11.4	-137.9	158.3	-126.9	0	0	112
197	A	25.6	Very low	26.9	Very low	62 Å²	62	124 Å²	124	51%	0.512	65%	0.648	S	S	.	*			trans	-115.7	-154.5	-162.3	0	0	0	0	0	113.5
198	S	24.4	Very low	26.8	Very low	45 Å²	45	119.3 Å²	119.3	32%	0.315	64%	0.64	S	S	.	*			trans	69.7	150.4	-166.8	87.3	0	0	0	0	112.4	G532 Y544	S198-G532 WeakPolarHBondContact O-CA 3.49Å; S198-Y544 CarbonylContact C-O 3.55Å; S198-Y544 VanDerWaalsContact C-O 3.3Å
199	H	28.2	Very low	26.8	Very low	71 Å²	71	115.5 Å²	115.5	33%	0.329	64%	0.638	S	S	.	*			cis	-175.9	174.8	-10.7	-96	-13.3	0	0	0	107.9	G529 P530 W531 G532 Y544	H199-G529 VanDerWaalsContact CG-C 3.48Å; H199-P530 VanDerWaalsContact CD2-CD 3.42Å; H199-P530 WeakPolarHBondContact CD2-CD 3.34Å; H199-W531 VanDerWaalsContact C-CA 3.47Å; H199-W531 CarbonylContact O-C 3.48Å; H199-W531 WeakPolarHBondContact O-CA 3.29Å; H199-G532 PolarHBondContact O-N 2.82Å; H199-Y544 CarbonylContact C-O 3.5Å; H199-Y544 VanDerWaalsContact C-O 3.3Å; H199-Y544 WeakPolarHBondContact CA-O 3.39Å; H199-Y544 PolarHBondContact N-O 3.03Å; H199-Y544 CarbonylContact O-C 3.59Å
200	G	25.6	Very low	27.3	Very low	0 Å²	0	120.3 Å²	120.3	0%	0	64%	0.641	C	S	.	*			trans	160.9	155.2	168	0	0	0	0	0	120	W528 G529 P530 S545 Q567	G200-W528 VanDerWaalsContact O-CB 3.28Å; G200-W528 WeakPolarHBondContact O-CB 3.43Å; G200-G529 CarbonylContact C-O 3.54Å; G200-G529 WeakPolarHBondContact CA-O 3.48Å; G200-G529 PolarHBondContact N-O 3.09Å; G200-P530 CarbonylContact C-O 3.53Å; G200-P530 WeakPolarHBondContact CA-O 3.45Å; G200-P530 PolarHBondContact N-O 2.76Å; G200-S545 VanDerWaalsContact CA-CB 3.47Å; G200-S545 PolarHBondContact N-OG 3Å; G200-S545 WeakPolarHBondContact O-CB 3.49Å; G200-S545 PolarHBondContact O-OG 2.8Å; G200-Q567 PolarHBondContact O-NE2 3.17Å
201	A	30.4	Very low	27.9	Very low	36 Å²	36	124 Å²	124	30%	0.298	64%	0.639	S	S	.	*			trans	-166.7	168.3	164.2	0	0	0	0	0	113.8	W528 W531	A201-W528 HydrophobicContact CB-CB 4Å; A201-W528 HydrophobicContact CB-CG 4.26Å; A201-W531 PolarHBondContact O-NE1 3.33Å
202	P	39.3	Very low	28.7	Very low	97 Å²	97	118.1 Å²	118.1	63%	0.63	62%	0.624	S	S	*	*			cis	-115.2	-145.2	-34.3	40.1	-24.7	0	0	0	107.9
203	N	28.7	Very low	29.7	Very low	142 Å²	142	119.7 Å²	119.7	76%	0.759	62%	0.618	S	S	*	*			cis	-157.2	-177.8	-20.9	-137.2	-6.3	0	0	0	106.6
204	A	27.6	Very low	31.1	Very low	63 Å²	63	114.3 Å²	114.3	52%	0.521	59%	0.587	S	S	.	*			cis	-154.9	-168	-4.7	0	0	0	0	0	110.3
205	D	27	Very low	33.2	Very low	132 Å²	132	106.9 Å²	106.9	71%	0.706	55%	0.552	S	S	*	*			trans	-6.7	149.7	150.4	-72.6	24.6	0	0	0	122.1
206	Q	29.2	Very low	35.5	Very low	150 Å²	150	100.2 Å²	100.2	70%	0.701	52%	0.522	S	S	*	.			cis	-154.1	168.5	-3.9	-125.9	-176.9	74.7	0	0	113
207	T	27	Very low	38.3	Very low	124 Å²	124	93.1 Å²	93.1	76%	0.761	49%	0.489	S	S	*	.			trans	50.7	116.1	163.7	56.3	0	0	0	0	121.6
208	A	25.2	Very low	41.1	Very low	80 Å²	80	91.2 Å²	91.2	66%	0.661	47%	0.471	S	S	*	.			trans	170.1	130.9	131.3	0	0	0	0	0	113.6
209	N	27.9	Very low	44.1	Very low	160 Å²	160	90.4 Å²	90.4	86%	0.856	47%	0.465	S	S	*	.	S	Bend	trans	58.3	146.6	172.3	-73.2	-8.7	0	0	0	119	R211	N209-R211 PolarHBondContact O-N 3.3Å
210	R	34.5	Very low	47.2	Very low	241 Å²	241	87.7 Å²	87.7	91%	0.909	45%	0.452	S	S	*	.			trans	-76	63.5	-173.2	-164	173.9	179.6	177.9	-2.8	112.5
211	R	37.6	Very low	50.5	Low	199 Å²	199	90.3 Å²	90.3	75%	0.751	46%	0.462	S	S	*	.			trans	-61.3	146.7	167.5	-64.2	179.3	-179.7	169	3.1	110	N209 R213	N209-R211 PolarHBondContact O-N 3.3Å; R211-R213 PolarHBondContact O-N 3.14Å; R211-R213 VanDerWaalsContact O-N 3.1Å
212	T	39.6	Very low	53.5	Low	69 Å²	69	88.6 Å²	88.6	42%	0.423	45%	0.448	S	S	.	.			trans	-56.9	114.1	169.3	50.4	0	0	0	0	109.7	R214	T212-R214 PolarHBondContact O-N 3.1Å
213	R	46.8	Very low	56.2	Low	189 Å²	189	84.6 Å²	84.6	71%	0.713	42%	0.421	S	S	*	.			trans	-78.1	70.1	-178.9	-70.6	-176.2	175.4	179.7	-1.4	110.8	R211 V216 T218	R211-R213 PolarHBondContact O-N 3.14Å; R211-R213 VanDerWaalsContact O-N 3.1Å; R213-V216 HydrophobicContact CB-CB 4.05Å; R213-V216 HydrophobicContact CB-CG1 4.43Å; R213-V216 HydrophobicContact CB-CG2 4.05Å; R213-V216 WeakPolarHBondContact O-CB 3.32Å; R213-T218 HydrophobicContact CB-CG2 4.35Å
214	R	55.3	Low	59.4	Low	51 Å²	51	77.8 Å²	77.8	19%	0.192	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	155.9	166	-59.5	178.7	175.5	-141.7	-2.2	109.9	T212 V216 D418 N419 Q659	T212-R214 PolarHBondContact O-N 3.1Å; R214-V216 PolarHBondContact O-N 3.45Å; R214-D418 WeakPolarHBondContact CD-O 3.37Å; R214-D418 WeakPolarHBondContact CG-O 3.39Å; R214-D418 PolarHBondContact NE-O 3.18Å; R214-D418 PolarHBondContact NH1-O 3.23Å; R214-N419 VanDerWaalsContact CZ-C 3.44Å; R214-N419 PolarHBondContact NH1-O 3.2Å; R214-N419 PolarHBondContact NH2-O 2.72Å; R214-Q659 VanDerWaalsContact CD-CD 3.48Å; R214-Q659 VanDerWaalsContact NE-NE2 3.12Å
215	F	66.8	Low	62.6	Low	21 Å²	21	74.8 Å²	74.8	9%	0.092	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	15.7	-172.1	-48.7	-57.7	0	0	0	113.5	D418 K564 R565 I566 Y568 Q657	F215-D418 WeakPolarHBondContact CA-OD1 3.49Å; F215-D418 HydrophobicContact CE1-CB 4.41Å; F215-D418 PolarHBondContact N-OD1 2.7Å; F215-K564 CarbonylContact O-C 3.27Å; F215-K564 VanDerWaalsContact O-CA 3.32Å; F215-K564 WeakPolarHBondContact O-CA 3.43Å; F215-R565 PolarHBondContact O-N 3.45Å; F215-I566 HydrophobicContact CB-CB 3.81Å; F215-I566 HydrophobicContact CB-CG2 4.15Å; F215-I566 HydrophobicContact CD1-CB 3.9Å; F215-I566 HydrophobicContact CD1-CD1 4.08Å; F215-I566 HydrophobicContact CD1-CG2 3.78Å; F215-I566 HydrophobicContact CG-CB 4.16Å; F215-I566 HydrophobicContact CG-CG2 4.05Å; F215-I566 PolarHBondContact O-N 3.31Å; F215-Y568 AromaticContact CD2-CE1 3.94Å; F215-Y568 HydrophobicContact CD2-CE1 3.94Å; F215-Y568 HydrophobicContact CE2-CE1 4.4Å; F215-Q657 HydrophobicContact CE1-CB 4.26Å; F215-Q657 HydrophobicContact CE1-CG 3.92Å; F215-Q657 HydrophobicContact CE2-CB 4.47Å; F215-Q657 HydrophobicContact CZ-CB 3.58Å; F215-Q657 HydrophobicContact CZ-CG 3.65Å
216	V	73.4	Confident	66	Low	21 Å²	21	68.5 Å²	68.5	13%	0.127	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	112.4	-175.9	-174.9	0	0	0	0	107.8	R213 R214 T218 G563 K564	R213-V216 HydrophobicContact CB-CB 4.05Å; R213-V216 HydrophobicContact CB-CG1 4.43Å; R213-V216 HydrophobicContact CB-CG2 4.05Å; R213-V216 WeakPolarHBondContact O-CB 3.32Å; R214-V216 PolarHBondContact O-N 3.45Å; V216-T218 HydrophobicContact CB-CG2 4.33Å; V216-T218 HydrophobicContact CG1-CG2 3.93Å; V216-T218 PolarHBondContact O-N 2.87Å; V216-T218 PolarHBondContact O-OG1 2.88Å; V216-G563 CarbonylContact C-O 3.01Å; V216-G563 VanDerWaalsContact CA-O 3.31Å; V216-G563 WeakPolarHBondContact CA-O 3.46Å; V216-G563 VanDerWaalsContact CG1-C 3.47Å; V216-K564 HydrophobicContact CG2-CG 4.04Å
217	S	83.4	Confident	69.1	Low	2 Å²	2	61.4 Å²	61.4	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	117.7	164.6	-178	0	0	0	0	107.5	C561 E562 G563	S217-C561 WeakPolarHBondContact CB-O 3.37Å; S217-C561 PolarHBondContact OG-O 2.72Å; S217-E562 WeakPolarHBondContact O-CA 3.5Å; S217-G563 PolarHBondContact N-O 3.48Å; S217-G563 PolarHBondContact O-N 2.96Å
218	T	85.1	Confident	72.3	Confident	22 Å²	22	55.5 Å²	55.5	14%	0.135	26%	0.257	C	S	.	.			trans	-133.2	132	-169.2	24.2	0	0	0	0	105.8	R213 V216 R220	R213-T218 HydrophobicContact CB-CG2 4.35Å; V216-T218 HydrophobicContact CB-CG2 4.33Å; V216-T218 HydrophobicContact CG1-CG2 3.93Å; V216-T218 PolarHBondContact O-N 2.87Å; V216-T218 PolarHBondContact O-OG1 2.88Å; T218-R220 PolarHBondContact O-N 2.76Å; T218-R220 PolarHBondContact O-NE 2.99Å; T218-R220 PolarHBondContact OG1-NE 3.26Å; T218-R220 PolarHBondContact OG1-NH2 2.85Å
219	P	88.6	Confident	75.5	Confident	29 Å²	29	52.4 Å²	52.4	19%	0.188	23%	0.229	C	C	.	.			trans	-59.4	126.5	180	26	-33.2	0	0	0	108.5	Y221	P219-Y221 HydrophobicContact CB-CE2 4.2Å
220	R	92.7	Very high	78.2	Confident	13 Å²	13	47.8 Å²	47.8	5%	0.049	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.7	174.8	-57.1	-51	171.3	105.6	6	108.9	T218 S263 I264 S265 L417 G422 L425	T218-R220 PolarHBondContact O-N 2.76Å; T218-R220 PolarHBondContact O-NE 2.99Å; T218-R220 PolarHBondContact OG1-NE 3.26Å; T218-R220 PolarHBondContact OG1-NH2 2.85Å; R220-S263 PolarHBondContact N-O 2.92Å; R220-I264 HydrophobicContact CB-CG1 4.23Å; R220-I264 CarbonylContact O-C 3.58Å; R220-I264 WeakPolarHBondContact O-CA 3.4Å; R220-S265 PolarHBondContact O-N 3.01Å; R220-L417 HydrophobicContact CG-CD1 4.24Å; R220-G422 PolarHBondContact NH1-O 3.06Å; R220-L425 VanDerWaalsContact CA-O 3.27Å; R220-L425 WeakPolarHBondContact CA-O 3.42Å; R220-L425 HydrophobicContact CB-CB 4.08Å; R220-L425 VanDerWaalsContact CD-O 3.29Å; R220-L425 WeakPolarHBondContact CD-O 3.34Å; R220-L425 HydrophobicContact CG-CB 4.49Å
221	Y	93.6	Very high	80.8	Confident	56 Å²	56	38 Å²	38	22%	0.22	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.7	172.2	-56	-80.9	0	0	0	106.8	P219 S265 L425 D427 K428	P219-Y221 HydrophobicContact CB-CE2 4.2Å; Y221-S265 WeakPolarHBondContact CA-O 3.05Å; Y221-L425 PolarHBondContact N-O 2.99Å; Y221-L425 WeakPolarHBondContact O-CA 3.27Å; Y221-L425 WeakPolarHBondContact O-CB 3.48Å; Y221-L425 VanDerWaalsContact O-CD2 3.29Å; Y221-L425 WeakPolarHBondContact O-CD2 3.41Å; Y221-D427 WeakPolarHBondContact CD2-O 3.45Å; Y221-K428 HydrophobicContact CD1-CG 4.1Å; Y221-K428 HydrophobicContact CD2-CB 3.89Å; Y221-K428 HydrophobicContact CD2-CG 4.13Å; Y221-K428 HydrophobicContact CE1-CD 4.39Å; Y221-K428 HydrophobicContact CE1-CG 3.98Å; Y221-K428 HydrophobicContact CE2-CB 3.84Å; Y221-K428 HydrophobicContact CE2-CG 3.97Å; Y221-K428 HydrophobicContact CG-CB 4.33Å; Y221-K428 HydrophobicContact CG-CG 4.18Å
222	L	95.1	Very high	83.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.1	171.1	-174.3	70.3	0	0	0	107.2	I224 S265 L266 A267 D313 T314 V340 L365 F369 L425	L222-I224 HydrophobicContact CD2-CD1 4.09Å; L222-I224 HydrophobicContact CD2-CG1 4.16Å; L222-I224 HydrophobicContact CG-CD1 4.36Å; L222-I224 HydrophobicContact CG-CG1 3.98Å; L222-S265 PolarHBondContact N-O 2.78Å; L222-L266 HydrophobicContact CB-CD2 4.1Å; L222-L266 HydrophobicContact CD2-CD2 3.86Å; L222-A267 PolarHBondContact O-N 3.23Å; L222-D313 WeakPolarHBondContact CA-OD2 3.4Å; L222-D313 HydrophobicContact CD1-CB 3.67Å; L222-T314 HydrophobicContact CD1-CG2 4.04Å; L222-T314 HydrophobicContact CD2-CG2 3.97Å; L222-T314 HydrophobicContact CG-CG2 4.02Å; L222-V340 HydrophobicContact CD1-CG2 3.44Å; L222-V340 VanDerWaalsContact CD1-CG2 3.44Å; L222-L365 HydrophobicContact CD2-CD1 4.27Å; L222-L365 HydrophobicContact CD2-CD2 3.93Å; L222-F369 HydrophobicContact CD1-CZ 4.38Å; L222-F369 HydrophobicContact CD2-CE2 3.97Å; L222-F369 HydrophobicContact CD2-CZ 4.13Å; L222-L425 HydrophobicContact CB-CD2 4.44Å; L222-L425 HydrophobicContact CD1-CD2 3.43Å; L222-L425 VanDerWaalsContact CD1-CD2 3.43Å
223	E	95.3	Very high	85.2	Confident	12 Å²	12	25.5 Å²	25.5	6%	0.056	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.9	173.6	-64.5	-160.9	129.6	0	0	109.9	A267 V269 H311 Y312 D313 T314 P429	E223-A267 WeakPolarHBondContact CA-O 3.45Å; E223-V269 HydrophobicContact CB-CG1 4.15Å; E223-V269 HydrophobicContact CB-CG2 4.03Å; E223-V269 HydrophobicContact CG-CG1 4.1Å; E223-H311 IonicContact OE2-CD2 2.78Å; E223-Y312 WeakPolarHBondContact O-CB 3.28Å; E223-D313 PolarHBondContact N-OD2 2.94Å; E223-D313 PolarHBondContact O-N 3.39Å; E223-T314 PolarHBondContact O-N 3.02Å; E223-P429 HydrophobicContact CG-CB 4.13Å; E223-P429 WeakPolarHBondContact OE1-CA 3.23Å; E223-P429 WeakPolarHBondContact OE1-CB 3.48Å
224	I	95.9	Very high	86.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.9	-170.8	-55	173.4	0	0	0	110.6	L222 L226 M248 L266 A267 V269 K270 T314 I316 L365	L222-I224 HydrophobicContact CD2-CD1 4.09Å; L222-I224 HydrophobicContact CD2-CG1 4.16Å; L222-I224 HydrophobicContact CG-CD1 4.36Å; L222-I224 HydrophobicContact CG-CG1 3.98Å; I224-L226 HydrophobicContact CG2-CD2 3.68Å; I224-M248 HydrophobicContact CD1-CE 3.49Å; I224-M248 VanDerWaalsContact CD1-CE 3.49Å; I224-M248 HydrophobicContact CG2-CE 4.47Å; I224-L266 HydrophobicContact CD1-CB 3.95Å; I224-L266 HydrophobicContact CD1-CD1 4.44Å; I224-L266 HydrophobicContact CD1-CD2 4.39Å; I224-L266 HydrophobicContact CD1-CG 4.49Å; I224-A267 PolarHBondContact N-O 2.85Å; I224-V269 WeakPolarHBondContact O-CG2 3.41Å; I224-V269 PolarHBondContact O-N 2.98Å; I224-K270 PolarHBondContact O-N 2.03Å; I224-T314 WeakPolarHBondContact CA-O 3.4Å; I224-T314 HydrophobicContact CG1-CG2 3.98Å; I224-I316 HydrophobicContact CG2-CD1 3.77Å; I224-I316 HydrophobicContact CG2-CG1 3.88Å; I224-L365 HydrophobicContact CD1-CD1 4.33Å
225	M	95.7	Very high	88	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.1	157.7	179.8	172.9	69.8	0	0	110.2	V227 K270 L272 W297 Q298 Y312 T314 A315 I316	M225-V227 HydrophobicContact CE-CG2 3.67Å; M225-V227 HydrophobicContact CG-CG2 3.99Å; M225-V227 HydrophobicContact SD-CG2 4.09Å; M225-K270 WeakPolarHBondContact CA-O 3.28Å; M225-K270 HydrophobicContact CB-CB 4.1Å; M225-K270 HydrophobicContact CG-CB 3.94Å; M225-K270 HydrophobicContact CG-CD 4.38Å; M225-K270 HydrophobicContact CG-CG 4.08Å; M225-K270 HydrophobicContact SD-CD 3.93Å; M225-K270 HydrophobicContact SD-CG 4.17Å; M225-L272 HydrophobicContact SD-CD1 3.56Å; M225-L272 VanDerWaalsContact SD-CD1 3.56Å; M225-L272 HydrophobicContact SD-CG 4.06Å; M225-W297 HydrophobicContact CE-CZ3 4.28Å; M225-Q298 HydrophobicContact CE-CB 3.73Å; M225-Y312 HydrophobicContact CB-CD1 3.77Å; M225-Y312 HydrophobicContact CB-CD2 3.76Å; M225-Y312 HydrophobicContact CB-CE1 3.86Å; M225-Y312 HydrophobicContact CB-CE2 3.84Å; M225-Y312 HydrophobicContact CB-CG 3.71Å; M225-Y312 HydrophobicContact CE-CE1 4.29Å; M225-Y312 HydrophobicContact CE-CE2 3.75Å; M225-Y312 VanDerWaalsContact CE-CZ 3.47Å; M225-Y312 WeakPolarHBondContact CE-OH 3.39Å; M225-Y312 HydrophobicContact CG-CE1 4.36Å; M225-Y312 HydrophobicContact SD-CE1 3.78Å; M225-Y312 HydrophobicContact SD-CE2 4.28Å; M225-Y312 VanDerWaalsContact SD-CZ 3.57Å; M225-Y312 PolarHBondContact SD-OH 3.3Å; M225-Y312 VanDerWaalsContact SD-OH 3.39Å; M225-T314 PolarHBondContact N-O 3.45Å; M225-A315 HydrophobicContact CB-CB 4.28Å; M225-A315 HydrophobicContact CE-CB 3.87Å; M225-A315 CarbonylContact O-C 3.56Å; M225-A315 WeakPolarHBondContact O-CA 3.35Å; M225-I316 PolarHBondContact O-N 3.36Å
226	L	96.4	Very high	88.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.5	166.2	-50.3	179.4	0	0	0	109.5	I224 L244 M248 V268 K270 L271 L272 I316 F318	I224-L226 HydrophobicContact CG2-CD2 3.68Å; L226-L244 HydrophobicContact CD1-CB 4.29Å; L226-M248 HydrophobicContact CD1-CG 3.77Å; L226-M248 HydrophobicContact CD2-CE 4.23Å; L226-M248 HydrophobicContact CD2-CG 3.78Å; L226-M248 HydrophobicContact CD2-SD 3.72Å; L226-M248 HydrophobicContact CG-CG 4.4Å; L226-V268 HydrophobicContact CD1-CG1 3.84Å; L226-V268 HydrophobicContact CD1-CG2 3.83Å; L226-V268 HydrophobicContact CD2-CG2 4.32Å; L226-V268 HydrophobicContact CG-CG1 3.94Å; L226-V268 HydrophobicContact CG-CG2 4.09Å; L226-K270 PolarHBondContact N-O 2.95Å; L226-L271 HydrophobicContact CB-CG 4.28Å; L226-L271 HydrophobicContact CD1-CD1 4.3Å; L226-L271 CarbonylContact O-C 3.3Å; L226-L271 WeakPolarHBondContact O-CA 3.38Å; L226-L272 PolarHBondContact O-N 2.93Å; L226-I316 HydrophobicContact CD2-CB 4.43Å; L226-I316 HydrophobicContact CD2-CD1 4.35Å; L226-F318 HydrophobicContact CD2-CE2 4.12Å
227	V	96.1	Very high	88.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.1	171.6	-173.7	0	0	0	0	108.2	M225 L272 V274 F294 W297 I316 L317 F318	M225-V227 HydrophobicContact CE-CG2 3.67Å; M225-V227 HydrophobicContact CG-CG2 3.99Å; M225-V227 HydrophobicContact SD-CG2 4.09Å; V227-L272 WeakPolarHBondContact CA-O 3.48Å; V227-L272 HydrophobicContact CG1-CB 4.49Å; V227-L272 HydrophobicContact CG2-CB 4.38Å; V227-V274 HydrophobicContact CG1-CG2 4.35Å; V227-F294 HydrophobicContact CB-CE2 4.02Å; V227-F294 HydrophobicContact CB-CZ 4.33Å; V227-F294 HydrophobicContact CG1-CE2 4.45Å; V227-F294 HydrophobicContact CG2-CE2 3.8Å; V227-F294 HydrophobicContact CG2-CZ 4.05Å; V227-W297 HydrophobicContact CG1-CH2 4.3Å; V227-W297 HydrophobicContact CG1-CZ3 4.15Å; V227-W297 HydrophobicContact CG2-CZ3 3.97Å; V227-I316 PolarHBondContact N-O 2.92Å; V227-L317 HydrophobicContact CB-CD1 4.02Å; V227-L317 HydrophobicContact CG1-CD1 3.8Å; V227-L317 CarbonylContact O-C 3.6Å; V227-L317 WeakPolarHBondContact O-CA 3.25Å; V227-F318 PolarHBondContact O-N 2.83Å
228	A	94.3	Very high	88.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.9	171.4	0	0	0	0	0	109.1	M232 L240 L244 L272 V274	A228-M232 HydrophobicContact CB-CB 3.82Å; A228-M232 HydrophobicContact CB-CG 4.23Å; A228-L240 HydrophobicContact CB-CD1 4.25Å; A228-L240 HydrophobicContact CB-CD2 3.8Å; A228-L240 HydrophobicContact CB-CG 4.42Å; A228-L244 HydrophobicContact CB-CD1 3.97Å; A228-L272 PolarHBondContact N-O 2.96Å; A228-V274 PolarHBondContact O-N 2.88Å
229	D	90.6	Very high	87.9	Confident	16 Å²	16	29.3 Å²	29.3	9%	0.086	18%	0.176	C	C	.	.			trans	-78.5	-177.6	178.1	78.2	2.4	0	0	0	112.9	S231 M232 A233 V274 L317 F318 T319	D229-S231 VanDerWaalsContact C-N 3.3Å; D229-S231 VanDerWaalsContact CG-OG 3.28Å; D229-S231 PolarHBondContact O-N 3.31Å; D229-S231 WeakPolarHBondContact OD1-CA 3.25Å; D229-S231 WeakPolarHBondContact OD1-CB 3.22Å; D229-S231 PolarHBondContact OD1-N 2.9Å; D229-S231 PolarHBondContact OD1-OG 2.87Å; D229-S231 PolarHBondContact OD2-OG 3.19Å; D229-M232 WeakPolarHBondContact O-CB 3.38Å; D229-M232 PolarHBondContact O-N 2.69Å; D229-M232 PolarHBondContact OD1-N 2.68Å; D229-A233 PolarHBondContact O-N 3.27Å; D229-A233 VanDerWaalsContact O-N 3.11Å; D229-V274 CarbonylContact C-O 3.56Å; D229-L317 HydrophobicContact CB-CD1 4.49Å; D229-F318 PolarHBondContact N-O 3.32Å; D229-T319 WeakPolarHBondContact OD2-CB 3.45Å; D229-T319 PolarHBondContact OD2-OG1 3.44Å
230	Q	86	Confident	87.5	Confident	62 Å²	62	28.2 Å²	28.2	29%	0.29	17%	0.168	S	C	.	.	H	α-helix	trans	-62.2	-35.9	178.6	-175.4	179.3	-29.2	0	0	112.3	M232 A233 E234 V274 Y275	Q230-M232 PolarHBondContact O-N 2.8Å; Q230-A233 WeakPolarHBondContact O-CB 3.44Å; Q230-A233 PolarHBondContact O-N 3.27Å; Q230-E234 HydrophobicContact CG-CG 4.34Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.46Å; Q230-E234 PolarHBondContact NE2-OE1 3.07Å; Q230-E234 WeakPolarHBondContact O-CB 3.07Å; Q230-E234 WeakPolarHBondContact O-CG 3.44Å; Q230-E234 PolarHBondContact O-N 3.47Å; Q230-V274 VanDerWaalsContact CA-O 3.27Å; Q230-V274 WeakPolarHBondContact CA-O 3.17Å; Q230-V274 PolarHBondContact N-O 3.21Å; Q230-Y275 PolarHBondContact OE1-O 2.99Å
231	S	88.4	Confident	86.9	Confident	36 Å²	36	31.1 Å²	31.1	25%	0.252	18%	0.181	S	C	.	.	H	α-helix	trans	-67.2	-36.6	179.8	75.6	0	0	0	0	112.2	D229 F235 R320	D229-S231 VanDerWaalsContact C-N 3.3Å; D229-S231 VanDerWaalsContact CG-OG 3.28Å; D229-S231 PolarHBondContact O-N 3.31Å; D229-S231 WeakPolarHBondContact OD1-CA 3.25Å; D229-S231 WeakPolarHBondContact OD1-CB 3.22Å; D229-S231 PolarHBondContact OD1-N 2.9Å; D229-S231 PolarHBondContact OD1-OG 2.87Å; D229-S231 PolarHBondContact OD2-OG 3.19Å; S231-F235 WeakPolarHBondContact O-CB 3.1Å; S231-F235 PolarHBondContact O-N 2.02Å; S231-R320 PolarHBondContact OG-N 2.86Å
232	M	89.1	Confident	86.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-42.7	170.3	-68.6	-64.2	-64.9	0	0	111.9	A228 D229 Q230 H236 L240 Y243 L244 F318 R320 D352	A228-M232 HydrophobicContact CB-CB 3.82Å; A228-M232 HydrophobicContact CB-CG 4.23Å; D229-M232 WeakPolarHBondContact O-CB 3.38Å; D229-M232 PolarHBondContact O-N 2.69Å; D229-M232 PolarHBondContact OD1-N 2.68Å; Q230-M232 PolarHBondContact O-N 2.8Å; M232-H236 PolarHBondContact O-CD2 2.85Å; M232-H236 PolarHBondContact O-N 2.77Å; M232-L240 HydrophobicContact CB-CD1 3.97Å; M232-L240 HydrophobicContact CB-CD2 4.44Å; M232-L240 HydrophobicContact CE-CD1 3.75Å; M232-Y243 HydrophobicContact CE-CE1 4.24Å; M232-L244 HydrophobicContact CE-CD2 4.07Å; M232-F318 HydrophobicContact CE-CB 3.81Å; M232-F318 HydrophobicContact CG-CB 3.96Å; M232-F318 VanDerWaalsContact CG-O 3.26Å; M232-F318 WeakPolarHBondContact CG-O 3.22Å; M232-F318 HydrophobicContact SD-CB 3.99Å; M232-R320 HydrophobicContact SD-CG 3.85Å; M232-D352 HydrophobicContact CE-CB 3.8Å; M232-D352 WeakPolarHBondContact CE-OD2 3.37Å; M232-D352 HydrophobicContact SD-CB 3.37Å; M232-D352 WeakPolarHBondContact SD-CB 3.4Å
233	A	81.7	Confident	86	Confident	6 Å²	6	31.8 Å²	31.8	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-39.9	179.4	0	0	0	0	0	112.6	D229 Q230 G237 L240 V273 Y275	D229-A233 PolarHBondContact O-N 3.27Å; D229-A233 VanDerWaalsContact O-N 3.11Å; Q230-A233 WeakPolarHBondContact O-CB 3.44Å; Q230-A233 PolarHBondContact O-N 3.27Å; A233-G237 VanDerWaalsContact O-CA 3.29Å; A233-G237 WeakPolarHBondContact O-CA 3.34Å; A233-G237 PolarHBondContact O-N 3.11Å; A233-L240 HydrophobicContact CB-CD2 4.4Å; A233-V273 HydrophobicContact CB-CG1 3.76Å; A233-Y275 HydrophobicContact CB-CD1 4.08Å; A233-Y275 HydrophobicContact CB-CE1 3.77Å
234	E	80	Confident	85.7	Confident	129 Å²	129	31.2 Å²	31.2	60%	0.603	19%	0.189	S	C	*	.	H	α-helix	trans	-71.9	-37.4	177.1	-73.3	-179	-167.6	0	0	113.1	Q230	Q230-E234 HydrophobicContact CG-CG 4.34Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.46Å; Q230-E234 PolarHBondContact NE2-OE1 3.07Å; Q230-E234 WeakPolarHBondContact O-CB 3.07Å; Q230-E234 WeakPolarHBondContact O-CG 3.44Å; Q230-E234 PolarHBondContact O-N 3.47Å
235	F	79.8	Confident	85.2	Confident	68 Å²	68	31.8 Å²	31.8	30%	0.298	19%	0.192	S	C	.	.	H	α-helix	trans	-75.8	-47.2	-178.9	-174.3	-95.4	0	0	0	112.8	S231 R320	S231-F235 WeakPolarHBondContact O-CB 3.1Å; S231-F235 PolarHBondContact O-N 2.02Å; F235-R320 HydrophobicContact CB-CG 4.36Å; F235-R320 VanDerWaalsContact CE2-NH2 3.32Å
236	H	77.4	Confident	84.7	Confident	26 Å²	26	32.2 Å²	32.2	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-92.1	-21.4	-175.5	-67.6	-80.7	0	0	0	114.2	M232 A238 G239 L240 Y243 D352	M232-H236 PolarHBondContact O-CD2 2.85Å; M232-H236 PolarHBondContact O-N 2.77Å; H236-A238 PolarHBondContact O-N 3.43Å; H236-G239 WeakPolarHBondContact O-CA 3.24Å; H236-G239 PolarHBondContact O-N 2.9Å; H236-L240 HydrophobicContact CB-CB 3.76Å; H236-L240 HydrophobicContact CB-CD1 4.02Å; H236-L240 HydrophobicContact CB-CG 4.48Å; H236-Y243 AromaticContact CE1-CD1 3.38Å; H236-Y243 WeakPolarHBondContact CE1-CD1 3.37Å; H236-Y243 AromaticContact CE1-CD2 4Å; H236-Y243 AromaticContact CE1-CE1 3.21Å; H236-Y243 WeakPolarHBondContact CE1-CE1 3.4Å; H236-Y243 AromaticContact CE1-CE2 3.85Å; H236-Y243 AromaticContact CE1-CG 3.77Å; H236-Y243 AromaticContact CE1-CZ 3.44Å; H236-Y243 VanDerWaalsContact CE1-CZ 3.44Å; H236-Y243 AromaticContact ND1-CD1 3.75Å; H236-Y243 AromaticContact ND1-CG 3.84Å; H236-Y243 AromaticContact NE2-CD1 3.66Å; H236-Y243 AromaticContact NE2-CE1 3.35Å; H236-Y243 VanDerWaalsContact NE2-CE1 3.35Å; H236-Y243 WeakPolarHBondContact NE2-CE1 3.36Å; H236-Y243 AromaticContact NE2-CZ 3.93Å; H236-D352 IonicContact CD2-OD2 3.69Å; H236-D352 IonicContact CE1-OD2 3.19Å; H236-D352 IonicContact NE2-OD2 3.9Å; H236-D352 PolarHBondContact NE2-OD2 2.87Å
237	G	79.4	Confident	84.3	Confident	34 Å²	34	32.2 Å²	32.2	35%	0.351	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	51.7	-130.7	-176.9	0	0	0	0	0	112.7	A233 G239 L240	A233-G237 VanDerWaalsContact O-CA 3.29Å; A233-G237 WeakPolarHBondContact O-CA 3.34Å; A233-G237 PolarHBondContact O-N 3.11Å; G237-G239 PolarHBondContact O-N 3.18Å; G237-L240 WeakPolarHBondContact O-CB 3.47Å; G237-L240 PolarHBondContact O-N 3.18Å
238	A	71.8	Confident	84.1	Confident	97 Å²	97	32.2 Å²	32.2	80%	0.802	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-61.8	-20.4	176.6	0	0	0	0	0	113.9	H236 L240	H236-A238 PolarHBondContact O-N 3.43Å; A238-L240 VanDerWaalsContact C-N 3.3Å; A238-L240 PolarHBondContact O-N 2.85Å
239	G	77.3	Confident	83.7	Confident	32 Å²	32	32.8 Å²	32.8	33%	0.33	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-74.7	-13.6	177.4	0	0	0	0	0	114.7	H236 G237 K241 P242 Y243	H236-G239 WeakPolarHBondContact O-CA 3.24Å; H236-G239 PolarHBondContact O-N 2.9Å; G237-G239 PolarHBondContact O-N 3.18Å; G239-K241 PolarHBondContact O-N 3.5Å; G239-P242 VanDerWaalsContact O-CD 3.22Å; G239-P242 WeakPolarHBondContact O-CD 3.39Å; G239-P242 VanDerWaalsContact O-CG 3.3Å; G239-P242 WeakPolarHBondContact O-CG 3.29Å; G239-Y243 WeakPolarHBondContact O-CB 3.39Å; G239-Y243 PolarHBondContact O-N 2.98Å; G239-Y243 VanDerWaalsContact O-N 3.07Å
240	L	81.3	Confident	83.4	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-45.7	-171.9	-179	60.7	0	0	0	113.4	A228 M232 A233 H236 G237 A238 Y243 L244 V273	A228-L240 HydrophobicContact CB-CD1 4.25Å; A228-L240 HydrophobicContact CB-CD2 3.8Å; A228-L240 HydrophobicContact CB-CG 4.42Å; M232-L240 HydrophobicContact CB-CD1 3.97Å; M232-L240 HydrophobicContact CB-CD2 4.44Å; M232-L240 HydrophobicContact CE-CD1 3.75Å; A233-L240 HydrophobicContact CB-CD2 4.4Å; H236-L240 HydrophobicContact CB-CB 3.76Å; H236-L240 HydrophobicContact CB-CD1 4.02Å; H236-L240 HydrophobicContact CB-CG 4.48Å; G237-L240 WeakPolarHBondContact O-CB 3.47Å; G237-L240 PolarHBondContact O-N 3.18Å; A238-L240 VanDerWaalsContact C-N 3.3Å; A238-L240 PolarHBondContact O-N 2.85Å; L240-Y243 WeakPolarHBondContact O-CB 3.35Å; L240-Y243 PolarHBondContact O-N 3.03Å; L240-L244 HydrophobicContact CD1-CD1 3.77Å; L240-L244 HydrophobicContact CD1-CD2 4.43Å; L240-L244 HydrophobicContact CD1-CG 3.9Å; L240-L244 HydrophobicContact CG-CD1 3.89Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 WeakPolarHBondContact O-CG 3.34Å; L240-L244 PolarHBondContact O-N 2.83Å; L240-V273 HydrophobicContact CD2-CG1 3.79Å; L240-V273 HydrophobicContact CD2-CG2 3.94Å
241	K	80.6	Confident	83.6	Confident	74 Å²	74	30.5 Å²	30.5	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-53.7	-177.3	-177.1	175.9	178.3	-177.7	0	113.1	F85 G239 Y243 L245 L271	F85-K241 VanDerWaalsContact CE2-NZ 3.33Å; F85-K241 VanDerWaalsContact CZ-NZ 3.28Å; G239-K241 PolarHBondContact O-N 3.5Å; K241-Y243 VanDerWaalsContact C-N 3.26Å; K241-Y243 PolarHBondContact O-N 3.26Å; K241-L245 HydrophobicContact CG-CD1 4.22Å; K241-L245 VanDerWaalsContact O-CG 3.31Å; K241-L245 WeakPolarHBondContact O-CG 3.42Å; K241-L245 PolarHBondContact O-N 3.37Å; K241-L245 VanDerWaalsContact O-N 3.16Å; K241-L271 HydrophobicContact CG-CD1 4.27Å
242	P	82.4	Confident	83.6	Confident	68 Å²	68	29.4 Å²	29.4	44%	0.442	18%	0.183	S	C	.	.	H	α-helix	trans	-64.4	-30.3	175.7	23.4	-32.1	0	0	0	112.8	G239 T246	G239-P242 VanDerWaalsContact O-CD 3.22Å; G239-P242 WeakPolarHBondContact O-CD 3.39Å; G239-P242 VanDerWaalsContact O-CG 3.3Å; G239-P242 WeakPolarHBondContact O-CG 3.29Å; P242-T246 WeakPolarHBondContact O-CB 3.42Å; P242-T246 PolarHBondContact O-N 3.25Å; P242-T246 PolarHBondContact O-OG1 3.33Å
243	Y	85.9	Confident	83.4	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-54.8	175.5	177.6	-104.9	0	0	0	112.6	M232 H236 G239 L240 K241 L245 T246 I247 D352 G354 L355 Y444 L452	M232-Y243 HydrophobicContact CE-CE1 4.24Å; H236-Y243 AromaticContact CE1-CD1 3.38Å; H236-Y243 WeakPolarHBondContact CE1-CD1 3.37Å; H236-Y243 AromaticContact CE1-CD2 4Å; H236-Y243 AromaticContact CE1-CE1 3.21Å; H236-Y243 WeakPolarHBondContact CE1-CE1 3.4Å; H236-Y243 AromaticContact CE1-CE2 3.85Å; H236-Y243 AromaticContact CE1-CG 3.77Å; H236-Y243 AromaticContact CE1-CZ 3.44Å; H236-Y243 VanDerWaalsContact CE1-CZ 3.44Å; H236-Y243 AromaticContact ND1-CD1 3.75Å; H236-Y243 AromaticContact ND1-CG 3.84Å; H236-Y243 AromaticContact NE2-CD1 3.66Å; H236-Y243 AromaticContact NE2-CE1 3.35Å; H236-Y243 VanDerWaalsContact NE2-CE1 3.35Å; H236-Y243 WeakPolarHBondContact NE2-CE1 3.36Å; H236-Y243 AromaticContact NE2-CZ 3.93Å; G239-Y243 WeakPolarHBondContact O-CB 3.39Å; G239-Y243 PolarHBondContact O-N 2.98Å; G239-Y243 VanDerWaalsContact O-N 3.07Å; L240-Y243 WeakPolarHBondContact O-CB 3.35Å; L240-Y243 PolarHBondContact O-N 3.03Å; K241-Y243 VanDerWaalsContact C-N 3.26Å; K241-Y243 PolarHBondContact O-N 3.26Å; Y243-L245 VanDerWaalsContact C-N 3.31Å; Y243-L245 PolarHBondContact O-N 2.83Å; Y243-T246 WeakPolarHBondContact O-CA 3.22Å; Y243-T246 WeakPolarHBondContact O-CB 3.34Å; Y243-T246 PolarHBondContact O-N 2.99Å; Y243-I247 HydrophobicContact CD1-CD1 4.01Å; Y243-I247 HydrophobicContact CE1-CD1 3.4Å; Y243-I247 VanDerWaalsContact CE1-CD1 3.4Å; Y243-I247 HydrophobicContact CE1-CG1 4.46Å; Y243-I247 HydrophobicContact CE2-CD1 4.34Å; Y243-I247 PolarHBondContact O-N 3Å; Y243-D352 VanDerWaalsContact CE1-OD1 3.31Å; Y243-D352 WeakPolarHBondContact CE1-OD1 3.38Å; Y243-D352 PolarHBondContact OH-OD1 2.85Å; Y243-D352 PolarHBondContact OH-OD2 3.25Å; Y243-G354 WeakPolarHBondContact OH-CA 3.3Å; Y243-G354 PolarHBondContact OH-N 3.31Å; Y243-G354 PolarHBondContact OH-O 3.02Å; Y243-G354 VanDerWaalsContact OH-O 3.11Å; Y243-L355 HydrophobicContact CD2-CD2 4.09Å; Y243-L355 HydrophobicContact CE2-CD2 3.73Å; Y243-Y444 WeakPolarHBondContact CA-OH 3.05Å; Y243-Y444 HydrophobicContact CD2-CE1 4.46Å; Y243-L452 HydrophobicContact CD2-CD1 4.49Å; Y243-L452 HydrophobicContact CD2-CD2 4.28Å; Y243-L452 HydrophobicContact CE2-CD1 4.04Å; Y243-L452 HydrophobicContact CE2-CD2 3.9Å
244	L	88.9	Confident	83.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-39.1	177.1	-68.6	172.2	0	0	0	112.4	L226 A228 M232 L240 T246 I247 M248 F318	L226-L244 HydrophobicContact CD1-CB 4.29Å; A228-L244 HydrophobicContact CB-CD1 3.97Å; M232-L244 HydrophobicContact CE-CD2 4.07Å; L240-L244 HydrophobicContact CD1-CD1 3.77Å; L240-L244 HydrophobicContact CD1-CD2 4.43Å; L240-L244 HydrophobicContact CD1-CG 3.9Å; L240-L244 HydrophobicContact CG-CD1 3.89Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 WeakPolarHBondContact O-CG 3.34Å; L240-L244 PolarHBondContact O-N 2.83Å; L244-T246 VanDerWaalsContact C-N 3.3Å; L244-T246 PolarHBondContact O-N 2.89Å; L244-I247 WeakPolarHBondContact O-CB 3.44Å; L244-I247 PolarHBondContact O-N 2.88Å; L244-M248 WeakPolarHBondContact O-CG 3.47Å; L244-M248 PolarHBondContact O-N 3.06Å; L244-F318 HydrophobicContact CD2-CB 4.25Å; L244-F318 HydrophobicContact CD2-CD1 3.96Å; L244-F318 HydrophobicContact CD2-CD2 3.69Å; L244-F318 HydrophobicContact CD2-CE1 4.21Å; L244-F318 HydrophobicContact CD2-CE2 3.96Å; L244-F318 HydrophobicContact CD2-CG 3.68Å; L244-F318 HydrophobicContact CD2-CZ 4.21Å
245	L	86.4	Confident	84.2	Confident	12 Å²	12	29.6 Å²	29.6	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-29.1	176.1	-65.3	175.7	0	0	0	112.4	K241 Y243 A249 V268 Q433 L435 P436	K241-L245 HydrophobicContact CG-CD1 4.22Å; K241-L245 VanDerWaalsContact O-CG 3.31Å; K241-L245 WeakPolarHBondContact O-CG 3.42Å; K241-L245 PolarHBondContact O-N 3.37Å; K241-L245 VanDerWaalsContact O-N 3.16Å; Y243-L245 VanDerWaalsContact C-N 3.31Å; Y243-L245 PolarHBondContact O-N 2.83Å; L245-A249 WeakPolarHBondContact O-CB 3.27Å; L245-A249 PolarHBondContact O-N 2.84Å; L245-V268 HydrophobicContact CD2-CG1 4.33Å; L245-V268 HydrophobicContact CD2-CG2 4.47Å; L245-Q433 HydrophobicContact CD1-CG 4.07Å; L245-Q433 HydrophobicContact CD2-CG 3.75Å; L245-L435 HydrophobicContact CD2-CD2 4.19Å; L245-P436 VanDerWaalsContact O-CD 3.31Å; L245-P436 WeakPolarHBondContact O-CD 3.49Å
246	T	84.7	Confident	84.6	Confident	9 Å²	9	29.8 Å²	29.8	6%	0.055	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-43.6	171.7	-58.5	0	0	0	0	111.4	P242 Y243 L244 M248 A249 V250 L355 P440 Y444	P242-T246 WeakPolarHBondContact O-CB 3.42Å; P242-T246 PolarHBondContact O-N 3.25Å; P242-T246 PolarHBondContact O-OG1 3.33Å; Y243-T246 WeakPolarHBondContact O-CA 3.22Å; Y243-T246 WeakPolarHBondContact O-CB 3.34Å; Y243-T246 PolarHBondContact O-N 2.99Å; L244-T246 VanDerWaalsContact C-N 3.3Å; L244-T246 PolarHBondContact O-N 2.89Å; T246-M248 VanDerWaalsContact C-N 3.34Å; T246-M248 PolarHBondContact O-N 3.48Å; T246-A249 WeakPolarHBondContact O-CB 2.97Å; T246-A249 PolarHBondContact O-N 3.27Å; T246-V250 PolarHBondContact O-N 3.38Å; T246-L355 HydrophobicContact CG2-CD2 4.28Å; T246-P440 HydrophobicContact CG2-CB 3.57Å; T246-P440 HydrophobicContact CG2-CG 3.74Å; T246-Y444 HydrophobicContact CG2-CD2 4.47Å; T246-Y444 HydrophobicContact CG2-CE2 4Å
247	I	89.4	Confident	85.1	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-53.9	-51.3	171.6	-77.7	174.3	0	0	0	110.3	Y243 L244 A249 V250 A251 F318 A357 A358 V361	Y243-I247 HydrophobicContact CD1-CD1 4.01Å; Y243-I247 HydrophobicContact CE1-CD1 3.4Å; Y243-I247 VanDerWaalsContact CE1-CD1 3.4Å; Y243-I247 HydrophobicContact CE1-CG1 4.46Å; Y243-I247 HydrophobicContact CE2-CD1 4.34Å; Y243-I247 PolarHBondContact O-N 3Å; L244-I247 WeakPolarHBondContact O-CB 3.44Å; L244-I247 PolarHBondContact O-N 2.88Å; I247-A249 VanDerWaalsContact C-N 3.32Å; I247-A249 PolarHBondContact O-N 2.66Å; I247-V250 PolarHBondContact O-N 2.8Å; I247-A251 PolarHBondContact O-N 3.25Å; I247-F318 HydrophobicContact CD1-CE1 4.27Å; I247-F318 HydrophobicContact CG2-CE1 3.95Å; I247-F318 HydrophobicContact CG2-CZ 4.02Å; I247-A357 HydrophobicContact CD1-CB 4.02Å; I247-A358 HydrophobicContact CB-CB 4.41Å; I247-A358 HydrophobicContact CG2-CB 4.13Å; I247-A358 WeakPolarHBondContact O-CB 3.22Å; I247-V361 HydrophobicContact CG2-CG2 3.96Å
248	M	91.2	Very high	85.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.1	-27.4	179.8	-64	-48.9	-63.1	0	0	113.6	I224 L226 L244 T246 S252 L266 V268 I316 V361 L435	I224-M248 HydrophobicContact CD1-CE 3.49Å; I224-M248 VanDerWaalsContact CD1-CE 3.49Å; I224-M248 HydrophobicContact CG2-CE 4.47Å; L226-M248 HydrophobicContact CD1-CG 3.77Å; L226-M248 HydrophobicContact CD2-CE 4.23Å; L226-M248 HydrophobicContact CD2-CG 3.78Å; L226-M248 HydrophobicContact CD2-SD 3.72Å; L226-M248 HydrophobicContact CG-CG 4.4Å; L244-M248 WeakPolarHBondContact O-CG 3.47Å; L244-M248 PolarHBondContact O-N 3.06Å; T246-M248 VanDerWaalsContact C-N 3.34Å; T246-M248 PolarHBondContact O-N 3.48Å; M248-S252 WeakPolarHBondContact O-CB 3.01Å; M248-S252 PolarHBondContact O-N 2.91Å; M248-L266 HydrophobicContact CE-CD1 4.23Å; M248-V268 HydrophobicContact CB-CG2 4Å; M248-V268 HydrophobicContact CG-CG2 3.83Å; M248-I316 HydrophobicContact CE-CD1 4.05Å; M248-I316 HydrophobicContact SD-CD1 4.25Å; M248-V361 HydrophobicContact CE-CG1 4.1Å; M248-V361 HydrophobicContact SD-CG1 3.81Å; M248-L435 HydrophobicContact CB-CD2 3.81Å
249	A	84.8	Confident	86.4	Confident	12 Å²	12	26 Å²	26	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-66.9	-40.5	172	0	0	0	0	0	112.2	L245 T246 I247 R253 L435 P436	L245-A249 WeakPolarHBondContact O-CB 3.27Å; L245-A249 PolarHBondContact O-N 2.84Å; T246-A249 WeakPolarHBondContact O-CB 2.97Å; T246-A249 PolarHBondContact O-N 3.27Å; I247-A249 VanDerWaalsContact C-N 3.32Å; I247-A249 PolarHBondContact O-N 2.66Å; A249-R253 WeakPolarHBondContact O-CG 3.44Å; A249-R253 PolarHBondContact O-N 2.83Å; A249-L435 HydrophobicContact CB-CB 4.25Å; A249-P436 HydrophobicContact CB-CG 3.89Å
250	V	85.8	Confident	87	Confident	30 Å²	30	24.5 Å²	24.5	18%	0.182	12%	0.124	C	C	.	.	H	α-helix	trans	-68.6	-47.9	175.2	173.7	0	0	0	0	110.9	T246 I247 S252 R253 L254 A358 P440	T246-V250 PolarHBondContact O-N 3.38Å; I247-V250 PolarHBondContact O-N 2.8Å; V250-S252 VanDerWaalsContact C-N 3.28Å; V250-S252 PolarHBondContact O-N 3.46Å; V250-R253 WeakPolarHBondContact O-CB 3.33Å; V250-R253 PolarHBondContact O-N 3.02Å; V250-R253 VanDerWaalsContact O-N 3.11Å; V250-L254 PolarHBondContact O-N 2.81Å; V250-L254 VanDerWaalsContact O-N 3.09Å; V250-A358 HydrophobicContact CB-CB 3.62Å; V250-A358 HydrophobicContact CG1-CB 3.58Å; V250-P440 HydrophobicContact CG2-CG 3.5Å; V250-P440 VanDerWaalsContact CG2-CG 3.5Å
251	A	89.9	Confident	87.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-41.1	174.7	0	0	0	0	0	111.9	I247 R253 L254 Y255 L266 V361	I247-A251 PolarHBondContact O-N 3.25Å; A251-R253 PolarHBondContact O-N 2.83Å; A251-L254 WeakPolarHBondContact O-CB 3.16Å; A251-L254 PolarHBondContact O-N 3.11Å; A251-Y255 PolarHBondContact O-N 2.95Å; A251-L266 HydrophobicContact CB-CD1 4.07Å; A251-V361 HydrophobicContact CB-CB 4.37Å; A251-V361 HydrophobicContact CB-CG1 3.68Å
252	S	88.7	Confident	88	Confident	12 Å²	12	25.3 Å²	25.3	8%	0.084	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-39.1	176.1	-167.9	0	0	0	0	112.1	M248 V250 L254 Y255 H256	M248-S252 WeakPolarHBondContact O-CB 3.01Å; M248-S252 PolarHBondContact O-N 2.91Å; V250-S252 VanDerWaalsContact C-N 3.28Å; V250-S252 PolarHBondContact O-N 3.46Å; S252-L254 VanDerWaalsContact C-N 3.3Å; S252-L254 PolarHBondContact O-N 2.81Å; S252-Y255 PolarHBondContact O-N 2.73Å; S252-H256 PolarHBondContact O-N 3.46Å; S252-H256 PolarHBondContact O-ND1 3.37Å; S252-H256 PolarHBondContact OG-CE1 2.66Å; S252-H256 PolarHBondContact OG-ND1 3.14Å
253	R	85.1	Confident	88.4	Confident	122 Å²	122	22.9 Å²	22.9	46%	0.46	11%	0.113	S	C	.	.	H	α-helix	trans	-60.2	-38.2	172.9	-74	162.2	69.2	93.6	-7.8	112.1	A249 V250 A251 H256 H257 D493	A249-R253 WeakPolarHBondContact O-CG 3.44Å; A249-R253 PolarHBondContact O-N 2.83Å; V250-R253 WeakPolarHBondContact O-CB 3.33Å; V250-R253 PolarHBondContact O-N 3.02Å; V250-R253 VanDerWaalsContact O-N 3.11Å; A251-R253 PolarHBondContact O-N 2.83Å; R253-H256 PolarHBondContact O-N 2.9Å; R253-H257 PolarHBondContact O-N 3.19Å; R253-D493 IonicContact CZ-OD2 3.21Å; R253-D493 IonicContact NE-OD2 3.28Å; R253-D493 IonicContact NH2-OD2 2.79Å; R253-D493 PolarHBondContact NH2-OD2 2.93Å
254	L	87.3	Confident	88.7	Confident	18 Å²	18	22.8 Å²	22.8	9%	0.094	11%	0.113	C	C	.	.	H	α-helix	trans	-66.2	-43.4	175.8	-65.1	166.2	0	0	0	111.8	V250 A251 S252 H256 H257 F359 A362 M391 P404 W405	V250-L254 PolarHBondContact O-N 2.81Å; V250-L254 VanDerWaalsContact O-N 3.09Å; A251-L254 WeakPolarHBondContact O-CB 3.16Å; A251-L254 PolarHBondContact O-N 3.11Å; S252-L254 VanDerWaalsContact C-N 3.3Å; S252-L254 PolarHBondContact O-N 2.81Å; L254-H256 VanDerWaalsContact C-N 3.3Å; L254-H256 PolarHBondContact O-N 3.33Å; L254-H257 WeakPolarHBondContact O-CB 3.28Å; L254-H257 PolarHBondContact O-N 2.57Å; L254-H257 VanDerWaalsContact O-N 3.08Å; L254-F359 HydrophobicContact CD1-CD1 3.59Å; L254-F359 HydrophobicContact CD1-CE1 3.87Å; L254-F359 HydrophobicContact CD2-CE1 4.27Å; L254-A362 HydrophobicContact CB-CB 4.45Å; L254-A362 HydrophobicContact CD1-CB 3.8Å; L254-M391 HydrophobicContact CD1-SD 4.03Å; L254-P404 HydrophobicContact CD2-CB 4.09Å; L254-P404 HydrophobicContact CD2-CG 4.29Å; L254-W405 PolarHBondContact O-NE1 3.06Å
255	Y	90.9	Very high	88.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-70	-21.7	176.6	-89.5	-88.4	0	0	0	114.6	A251 S252 H257 I260 I264 L266 A362 L365 G366 F369 M371 W405	A251-Y255 PolarHBondContact O-N 2.95Å; S252-Y255 PolarHBondContact O-N 2.73Å; Y255-H257 VanDerWaalsContact C-N 3.33Å; Y255-I260 HydrophobicContact CD1-CD1 3.49Å; Y255-I260 VanDerWaalsContact CD1-CD1 3.49Å; Y255-I260 HydrophobicContact CE1-CD1 3.61Å; Y255-I260 HydrophobicContact CG-CD1 4.37Å; Y255-I264 HydrophobicContact CD1-CB 4.2Å; Y255-I264 HydrophobicContact CD1-CD1 4.21Å; Y255-I264 HydrophobicContact CD1-CG2 3.74Å; Y255-I264 HydrophobicContact CG-CG2 4.4Å; Y255-L266 HydrophobicContact CD1-CD2 4.37Å; Y255-L266 HydrophobicContact CD2-CD1 3.92Å; Y255-L266 HydrophobicContact CD2-CD2 4.19Å; Y255-L266 HydrophobicContact CD2-CG 4.35Å; Y255-L266 HydrophobicContact CG-CD1 4.37Å; Y255-L266 HydrophobicContact CG-CD2 3.98Å; Y255-L266 HydrophobicContact CG-CG 4.3Å; Y255-A362 HydrophobicContact CE2-CB 4.12Å; Y255-A362 PolarHBondContact OH-O 3.21Å; Y255-L365 HydrophobicContact CE2-CB 4.08Å; Y255-L365 HydrophobicContact CE2-CD1 4.42Å; Y255-L365 WeakPolarHBondContact OH-CB 3.29Å; Y255-G366 WeakPolarHBondContact OH-CA 3.23Å; Y255-G366 PolarHBondContact OH-N 2.79Å; Y255-F369 HydrophobicContact CD1-CE2 4.21Å; Y255-F369 AromaticContact CE1-CD2 3.59Å; Y255-F369 HydrophobicContact CE1-CD2 3.59Å; Y255-F369 AromaticContact CE1-CE2 3.52Å; Y255-F369 HydrophobicContact CE1-CE2 3.52Å; Y255-F369 AromaticContact CZ-CD2 3.98Å; Y255-M371 HydrophobicContact CE1-CE 4.4Å; Y255-W405 HydrophobicContact CD1-CZ2 4.35Å; Y255-W405 HydrophobicContact CD2-CH2 4.46Å; Y255-W405 AromaticContact CD2-CZ2 3.94Å; Y255-W405 HydrophobicContact CD2-CZ2 3.94Å; Y255-W405 HydrophobicContact CE1-CH2 4.12Å; Y255-W405 HydrophobicContact CE1-CZ2 4.1Å; Y255-W405 AromaticContact CE2-CH2 3.71Å; Y255-W405 HydrophobicContact CE2-CH2 3.71Å; Y255-W405 AromaticContact CE2-CZ2 3.64Å; Y255-W405 HydrophobicContact CE2-CZ2 3.64Å; Y255-W405 HydrophobicContact CG-CZ2 4.28Å; Y255-W405 AromaticContact CZ-CH2 3.5Å; Y255-W405 VanDerWaalsContact CZ-CH2 3.5Å; Y255-W405 AromaticContact CZ-CZ2 3.72Å; Y255-W405 WeakPolarHBondContact OH-CH2 3.47Å
256	H	86.8	Confident	89.1	Confident	71 Å²	71	24.2 Å²	24.2	33%	0.329	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.7	170	-71.3	90.4	0	0	0	113.5	S252 R253 L254 S265	S252-H256 PolarHBondContact O-N 3.46Å; S252-H256 PolarHBondContact O-ND1 3.37Å; S252-H256 PolarHBondContact OG-CE1 2.66Å; S252-H256 PolarHBondContact OG-ND1 3.14Å; R253-H256 PolarHBondContact O-N 2.9Å; L254-H256 VanDerWaalsContact C-N 3.3Å; L254-H256 PolarHBondContact O-N 3.33Å; H256-S265 PolarHBondContact NE2-OG 2.73Å
257	H	87.8	Confident	89.4	Confident	46 Å²	46	24.2 Å²	24.2	21%	0.213	12%	0.124	C	C	.	.	S	Bend	trans	-71.8	132.8	-178	-167.5	-88.8	0	0	0	111.7	R253 L254 Y255 S259 I260 R402 P404	R253-H257 PolarHBondContact O-N 3.19Å; L254-H257 WeakPolarHBondContact O-CB 3.28Å; L254-H257 PolarHBondContact O-N 2.57Å; L254-H257 VanDerWaalsContact O-N 3.08Å; Y255-H257 VanDerWaalsContact C-N 3.33Å; H257-S259 PolarHBondContact ND1-N 2.76Å; H257-S259 PolarHBondContact ND1-OG 3.27Å; H257-S259 PolarHBondContact O-N 3.11Å; H257-I260 WeakPolarHBondContact O-CG2 3.28Å; H257-I260 PolarHBondContact O-N 3.46Å; H257-I260 VanDerWaalsContact O-N 3.16Å; H257-R402 PolarHBondContact CE1-O 3.21Å; H257-P404 HydrophobicContact CB-CG 4.02Å; H257-P404 WeakPolarHBondContact ND1-CD 3.49Å
258	P	87.9	Confident	89.6	Confident	17 Å²	17	24.3 Å²	24.3	11%	0.11	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-53.3	-29.6	-174.1	22.5	-39.2	0	0	0	115.3	I260 H261 L553 P554	P258-I260 PolarHBondContact O-N 2.78Å; P258-I260 VanDerWaalsContact O-N 3.16Å; P258-H261 PolarHBondContact O-CD2 3.34Å; P258-H261 PolarHBondContact O-N 3.15Å; P258-L553 HydrophobicContact CB-CD1 4.38Å; P258-P554 HydrophobicContact CB-CB 4.13Å; P258-P554 HydrophobicContact CB-CG 3.98Å; P258-P554 WeakPolarHBondContact CG-O 3.36Å
259	S	90.7	Very high	89.6	Confident	16 Å²	16	25.2 Å²	25.2	11%	0.112	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-63.1	-18.1	-177.8	63	0	0	0	0	114.1	H257 H261 W405 A410	H257-S259 PolarHBondContact ND1-N 2.76Å; H257-S259 PolarHBondContact ND1-OG 3.27Å; H257-S259 PolarHBondContact O-N 3.11Å; S259-H261 PolarHBondContact O-CD2 2.81Å; S259-H261 PolarHBondContact O-N 2.76Å; S259-W405 WeakPolarHBondContact CB-O 3.23Å; S259-W405 WeakPolarHBondContact OG-CB 3.48Å; S259-W405 PolarHBondContact OG-N 2.9Å; S259-A410 VanDerWaalsContact O-CB 3.24Å; S259-A410 WeakPolarHBondContact O-CB 3.47Å
260	I	91.7	Very high	89.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-74.4	-9.8	173.7	-153.6	171.1	0	0	0	113.1	Y255 H257 P258 N262 I264 M371 W405 I413	Y255-I260 HydrophobicContact CD1-CD1 3.49Å; Y255-I260 VanDerWaalsContact CD1-CD1 3.49Å; Y255-I260 HydrophobicContact CE1-CD1 3.61Å; Y255-I260 HydrophobicContact CG-CD1 4.37Å; H257-I260 WeakPolarHBondContact O-CG2 3.28Å; H257-I260 PolarHBondContact O-N 3.46Å; H257-I260 VanDerWaalsContact O-N 3.16Å; P258-I260 PolarHBondContact O-N 2.78Å; P258-I260 VanDerWaalsContact O-N 3.16Å; I260-N262 HydrophobicContact CG2-CB 4.44Å; I260-N262 WeakPolarHBondContact CG2-O 3.22Å; I260-N262 PolarHBondContact O-N 3.44Å; I260-N262 PolarHBondContact O-ND2 2.91Å; I260-I264 HydrophobicContact CD1-CD1 3.99Å; I260-M371 HydrophobicContact CD1-CE 3.97Å; I260-M371 HydrophobicContact CG1-CE 4.3Å; I260-W405 HydrophobicContact CB-CB 4.36Å; I260-W405 HydrophobicContact CB-CD2 4.36Å; I260-W405 HydrophobicContact CB-CG 3.86Å; I260-W405 HydrophobicContact CD1-CD2 4.04Å; I260-W405 HydrophobicContact CD1-CG 4.43Å; I260-W405 HydrophobicContact CD1-CH2 4.45Å; I260-W405 HydrophobicContact CD1-CZ2 3.96Å; I260-W405 HydrophobicContact CG1-CD2 4.05Å; I260-W405 HydrophobicContact CG1-CG 4.03Å; I260-I413 HydrophobicContact CD1-CD1 4.34Å; I260-I413 HydrophobicContact CG1-CG2 4.18Å
261	H	91.1	Very high	90	Very high	88 Å²	88	26.1 Å²	26.1	41%	0.407	13%	0.131	S	C	.	.			trans	57.4	16	178.7	-75	-145.7	0	0	0	115.9	P258 S259 A410 Y560 R565	P258-H261 PolarHBondContact O-CD2 3.34Å; P258-H261 PolarHBondContact O-N 3.15Å; S259-H261 PolarHBondContact O-CD2 2.81Å; S259-H261 PolarHBondContact O-N 2.76Å; H261-A410 HydrophobicContact CB-CB 4.23Å; H261-Y560 WeakPolarHBondContact CA-OH 3.41Å; H261-Y560 VanDerWaalsContact O-CE1 3.29Å; H261-Y560 WeakPolarHBondContact O-CE1 3.08Å; H261-Y560 PolarHBondContact O-OH 2.86Å; H261-R565 PolarHBondContact O-NH1 2.8Å
262	N	90.8	Very high	90	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.043	13%	0.131	C	C	.	.	S	Bend	trans	-137.6	155.5	-176.9	-69.8	-88.8	0	0	0	110.7	I260 I264 T414 L417 R565	I260-N262 HydrophobicContact CG2-CB 4.44Å; I260-N262 WeakPolarHBondContact CG2-O 3.22Å; I260-N262 PolarHBondContact O-N 3.44Å; I260-N262 PolarHBondContact O-ND2 2.91Å; N262-I264 HydrophobicContact CB-CD1 3.89Å; N262-I264 HydrophobicContact CB-CG1 4.15Å; N262-T414 PolarHBondContact ND2-OG1 2.86Å; N262-L417 HydrophobicContact CB-CD1 4.38Å; N262-R565 PolarHBondContact OD1-NH1 3.11Å; N262-R565 PolarHBondContact OD1-NH2 2.82Å; N262-R565 VanDerWaalsContact OD1-NH2 3.09Å
263	S	91.1	Very high	89.9	Confident	16 Å²	16	26 Å²	26	11%	0.112	13%	0.129	C	C	.	.			trans	-95	101.3	172.3	-177.5	0	0	0	0	108.7	R220	R220-S263 PolarHBondContact N-O 2.92Å
264	I	92.3	Very high	89.8	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.8	-178.3	-62.5	162.1	0	0	0	108.8	R220 Y255 I260 N262 L266 F369 I413 L417	R220-I264 HydrophobicContact CB-CG1 4.23Å; R220-I264 CarbonylContact O-C 3.58Å; R220-I264 WeakPolarHBondContact O-CA 3.4Å; Y255-I264 HydrophobicContact CD1-CB 4.2Å; Y255-I264 HydrophobicContact CD1-CD1 4.21Å; Y255-I264 HydrophobicContact CD1-CG2 3.74Å; Y255-I264 HydrophobicContact CG-CG2 4.4Å; I260-I264 HydrophobicContact CD1-CD1 3.99Å; N262-I264 HydrophobicContact CB-CD1 3.89Å; N262-I264 HydrophobicContact CB-CG1 4.15Å; I264-L266 HydrophobicContact CG2-CD2 4.22Å; I264-F369 HydrophobicContact CD1-CZ 4.39Å; I264-F369 HydrophobicContact CG2-CE2 4.33Å; I264-F369 HydrophobicContact CG2-CZ 3.99Å; I264-I413 HydrophobicContact CD1-CD1 3.32Å; I264-I413 HydrophobicContact CD1-CG1 4.42Å; I264-L417 HydrophobicContact CD1-CD1 4.34Å
265	S	90.8	Very high	89.2	Confident	30 Å²	30	24.6 Å²	24.6	21%	0.21	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113.9	178.4	-65.1	0	0	0	0	110.4	R220 Y221 L222 H256	R220-S265 PolarHBondContact O-N 3.01Å; Y221-S265 WeakPolarHBondContact CA-O 3.05Å; L222-S265 PolarHBondContact N-O 2.78Å; H256-S265 PolarHBondContact NE2-OG 2.73Å
266	L	92	Very high	88.2	Confident	11 Å²	11	27.2 Å²	27.2	6%	0.058	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.7	174.9	-48.4	-171.4	0	0	0	110.2	L222 I224 M248 A251 Y255 I264 L365	L222-L266 HydrophobicContact CB-CD2 4.1Å; L222-L266 HydrophobicContact CD2-CD2 3.86Å; I224-L266 HydrophobicContact CD1-CB 3.95Å; I224-L266 HydrophobicContact CD1-CD1 4.44Å; I224-L266 HydrophobicContact CD1-CD2 4.39Å; I224-L266 HydrophobicContact CD1-CG 4.49Å; M248-L266 HydrophobicContact CE-CD1 4.23Å; A251-L266 HydrophobicContact CB-CD1 4.07Å; Y255-L266 HydrophobicContact CD1-CD2 4.37Å; Y255-L266 HydrophobicContact CD2-CD1 3.92Å; Y255-L266 HydrophobicContact CD2-CD2 4.19Å; Y255-L266 HydrophobicContact CD2-CG 4.35Å; Y255-L266 HydrophobicContact CG-CD1 4.37Å; Y255-L266 HydrophobicContact CG-CD2 3.98Å; Y255-L266 HydrophobicContact CG-CG 4.3Å; I264-L266 HydrophobicContact CG2-CD2 4.22Å; L266-L365 HydrophobicContact CD1-CD1 4Å; L266-L365 HydrophobicContact CD2-CD1 4.34Å
267	A	92.3	Very high	87.5	Confident	10 Å²	10	29.3 Å²	29.3	8%	0.083	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	110.6	-179.6	0	0	0	0	0	110.9	L222 E223 I224 V269 P429 A432	L222-A267 PolarHBondContact O-N 3.23Å; E223-A267 WeakPolarHBondContact CA-O 3.45Å; I224-A267 PolarHBondContact N-O 2.85Å; A267-V269 PolarHBondContact O-N 3.43Å; A267-P429 HydrophobicContact CB-CB 4.38Å; A267-P429 HydrophobicContact CB-CG 3.69Å; A267-A432 HydrophobicContact CB-CB 4.05Å
268	V	92.8	Very high	86.7	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119.2	170.6	177.2	0	0	0	0	108	L226 L245 M248 Q433 L435	L226-V268 HydrophobicContact CD1-CG1 3.84Å; L226-V268 HydrophobicContact CD1-CG2 3.83Å; L226-V268 HydrophobicContact CD2-CG2 4.32Å; L226-V268 HydrophobicContact CG-CG1 3.94Å; L226-V268 HydrophobicContact CG-CG2 4.09Å; L245-V268 HydrophobicContact CD2-CG1 4.33Å; L245-V268 HydrophobicContact CD2-CG2 4.47Å; M248-V268 HydrophobicContact CB-CG2 4Å; M248-V268 HydrophobicContact CG-CG2 3.83Å; V268-Q433 HydrophobicContact CB-CB 4.3Å; V268-Q433 HydrophobicContact CG1-CB 4.26Å; V268-Q433 WeakPolarHBondContact O-CB 3.48Å; V268-Q433 PolarHBondContact O-N 2.83Å; V268-L435 HydrophobicContact CG2-CD2 4.11Å
269	V	91.7	Very high	86.1	Confident	19 Å²	19	39.6 Å²	39.6	12%	0.115	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-26.2	-180	-68.4	0	0	0	0	112	E223 I224 A267 H311 P429	E223-V269 HydrophobicContact CB-CG1 4.15Å; E223-V269 HydrophobicContact CB-CG2 4.03Å; E223-V269 HydrophobicContact CG-CG1 4.1Å; I224-V269 WeakPolarHBondContact O-CG2 3.41Å; I224-V269 PolarHBondContact O-N 2.98Å; A267-V269 PolarHBondContact O-N 3.43Å; V269-H311 VanDerWaalsContact CG2-O 3.23Å; V269-H311 WeakPolarHBondContact CG2-O 3.48Å; V269-P429 HydrophobicContact CG1-CB 3.92Å
270	K	89.4	Confident	85.6	Confident	26 Å²	26	39.2 Å²	39.2	11%	0.113	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.1	-179.7	-165.9	163.9	-174.2	156.1	0	110.3	I224 M225 L226 L272 H301 E310 Y312	I224-K270 PolarHBondContact O-N 2.03Å; M225-K270 WeakPolarHBondContact CA-O 3.28Å; M225-K270 HydrophobicContact CB-CB 4.1Å; M225-K270 HydrophobicContact CG-CB 3.94Å; M225-K270 HydrophobicContact CG-CD 4.38Å; M225-K270 HydrophobicContact CG-CG 4.08Å; M225-K270 HydrophobicContact SD-CD 3.93Å; M225-K270 HydrophobicContact SD-CG 4.17Å; L226-K270 PolarHBondContact N-O 2.95Å; K270-L272 HydrophobicContact CG-CD2 4.37Å; K270-L272 HydrophobicContact CG-CG 4.45Å; K270-H301 PolarHBondContact NZ-O 3.41Å; K270-E310 HydrophobicContact CD-CB 4.3Å; K270-E310 WeakPolarHBondContact CE-OE2 3.27Å; K270-E310 IonicContact NZ-OE2 3.53Å; K270-E310 PolarHBondContact NZ-OE2 2.93Å; K270-Y312 HydrophobicContact CD-CD1 4.43Å; K270-Y312 HydrophobicContact CD-CE1 4.01Å
271	L	89.8	Confident	85.4	Confident	34 Å²	34	39.6 Å²	39.6	18%	0.178	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	119.3	175.7	-171	163.7	0	0	0	108.1	L226 K241 V273	L226-L271 HydrophobicContact CB-CG 4.28Å; L226-L271 HydrophobicContact CD1-CD1 4.3Å; L226-L271 CarbonylContact O-C 3.3Å; L226-L271 WeakPolarHBondContact O-CA 3.38Å; K241-L271 HydrophobicContact CG-CD1 4.27Å; L271-V273 HydrophobicContact CD2-CG2 3.75Å
272	L	89.3	Confident	85.3	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142	176.8	-57.1	-178.3	0	0	0	109.9	H88 M225 L226 V227 A228 K270 W297	H88-L272 HydrophobicContact CB-CD2 3.57Å; M225-L272 HydrophobicContact SD-CD1 3.56Å; M225-L272 VanDerWaalsContact SD-CD1 3.56Å; M225-L272 HydrophobicContact SD-CG 4.06Å; L226-L272 PolarHBondContact O-N 2.93Å; V227-L272 WeakPolarHBondContact CA-O 3.48Å; V227-L272 HydrophobicContact CG1-CB 4.49Å; V227-L272 HydrophobicContact CG2-CB 4.38Å; A228-L272 PolarHBondContact N-O 2.96Å; K270-L272 HydrophobicContact CG-CD2 4.37Å; K270-L272 HydrophobicContact CG-CG 4.45Å; L272-W297 HydrophobicContact CD1-CH2 3.7Å; L272-W297 HydrophobicContact CD1-CZ3 4.06Å
273	V	86.6	Confident	85.3	Confident	6 Å²	6	41.4 Å²	41.4	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.7	171.2	-174.4	0	0	0	0	107.5	A233 L240 L271 Y275	A233-V273 HydrophobicContact CB-CG1 3.76Å; L240-V273 HydrophobicContact CD2-CG1 3.79Å; L240-V273 HydrophobicContact CD2-CG2 3.94Å; L271-V273 HydrophobicContact CD2-CG2 3.75Å; V273-Y275 HydrophobicContact CB-CD2 4.48Å; V273-Y275 HydrophobicContact CB-CE2 3.91Å; V273-Y275 HydrophobicContact CG1-CD2 4.07Å; V273-Y275 HydrophobicContact CG1-CE1 4.47Å; V273-Y275 HydrophobicContact CG1-CE2 3.53Å
274	V	83.1	Confident	85.1	Confident	3 Å²	3	42 Å²	42	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.7	177.3	-179.6	0	0	0	0	108.3	V227 A228 D229 Q230 E276	V227-V274 HydrophobicContact CG1-CG2 4.35Å; A228-V274 PolarHBondContact O-N 2.88Å; D229-V274 CarbonylContact C-O 3.56Å; Q230-V274 VanDerWaalsContact CA-O 3.27Å; Q230-V274 WeakPolarHBondContact CA-O 3.17Å; Q230-V274 PolarHBondContact N-O 3.21Å; V274-E276 VanDerWaalsContact CG1-O 3.24Å; V274-E276 WeakPolarHBondContact CG1-O 3.16Å
275	Y	74.6	Confident	84.7	Confident	109 Å²	109	45.5 Å²	45.5	43%	0.427	23%	0.226	S	C	.	.	S	Bend	trans	-108.6	-20.7	174.1	-71.7	-86.5	0	0	0	113	V89 Q230 A233 V273	V89-Y275 HydrophobicContact CG1-CD2 4.15Å; Q230-Y275 PolarHBondContact OE1-O 2.99Å; A233-Y275 HydrophobicContact CB-CD1 4.08Å; A233-Y275 HydrophobicContact CB-CE1 3.77Å; V273-Y275 HydrophobicContact CB-CD2 4.48Å; V273-Y275 HydrophobicContact CB-CE2 3.91Å; V273-Y275 HydrophobicContact CG1-CD2 4.07Å; V273-Y275 HydrophobicContact CG1-CE1 4.47Å; V273-Y275 HydrophobicContact CG1-CE2 3.53Å
276	E	70.6	Confident	84.2	Confident	55 Å²	55	47.9 Å²	47.9	26%	0.257	24%	0.236	S	C	.	.	S	Bend	trans	-112.3	109.2	170.9	-66.5	175.7	-162.3	0	0	109.2	G91 S92 V274 E278 R279	G91-E276 VanDerWaalsContact C-CD 3.49Å; G91-E276 WeakPolarHBondContact CA-OE1 3.36Å; G91-E276 WeakPolarHBondContact CA-OE2 3.39Å; S92-E276 WeakPolarHBondContact CA-OE1 3.3Å; S92-E276 PolarHBondContact N-OE1 3.1Å; V274-E276 VanDerWaalsContact CG1-O 3.24Å; V274-E276 WeakPolarHBondContact CG1-O 3.16Å; E276-E278 PolarHBondContact O-N 3.31Å; E276-E278 VanDerWaalsContact O-N 3.12Å; E276-R279 VanDerWaalsContact CD-NH2 3.32Å; E276-R279 PolarHBondContact O-N 3.08Å; E276-R279 IonicContact OE1-NH2 2.99Å; E276-R279 PolarHBondContact OE1-NH2 2.64Å; E276-R279 VanDerWaalsContact OE1-NH2 3.1Å; E276-R279 IonicContact OE2-CZ 3.12Å; E276-R279 IonicContact OE2-NE 2.92Å; E276-R279 PolarHBondContact OE2-NE 3.4Å; E276-R279 IonicContact OE2-NH2 2.67Å; E276-R279 PolarHBondContact OE2-NH2 3.2Å
277	E	71.4	Confident	83.7	Confident	114 Å²	114	47.4 Å²	47.4	53%	0.533	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-48	-39	178	-173.4	-178.9	-169.6	0	0	113.2	R279 G280	E277-R279 PolarHBondContact O-N 2.79Å; E277-R279 VanDerWaalsContact O-N 3.1Å; E277-G280 PolarHBondContact O-N 3.31Å
278	E	72	Confident	83	Confident	181 Å²	181	49.5 Å²	49.5	85%	0.846	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-58.9	-22.6	-180	-64.3	-169.8	-176.3	0	0	114.6	E276	E276-E278 PolarHBondContact O-N 3.31Å; E276-E278 VanDerWaalsContact O-N 3.12Å
279	R	74.5	Confident	82.4	Confident	98 Å²	98	52.2 Å²	52.2	37%	0.37	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-104.9	-5.3	178.1	-48.5	-162.2	-150.2	-179.3	17.7	113.5	V90 S92 E276 E277 W297	V90-R279 HydrophobicContact CG1-CB 3.68Å; S92-R279 PolarHBondContact O-NH2 2.91Å; E276-R279 VanDerWaalsContact CD-NH2 3.32Å; E276-R279 PolarHBondContact O-N 3.08Å; E276-R279 IonicContact OE1-NH2 2.99Å; E276-R279 PolarHBondContact OE1-NH2 2.64Å; E276-R279 VanDerWaalsContact OE1-NH2 3.1Å; E276-R279 IonicContact OE2-CZ 3.12Å; E276-R279 IonicContact OE2-NE 2.92Å; E276-R279 PolarHBondContact OE2-NE 3.4Å; E276-R279 IonicContact OE2-NH2 2.67Å; E276-R279 PolarHBondContact OE2-NH2 3.2Å; E277-R279 PolarHBondContact O-N 2.79Å; E277-R279 VanDerWaalsContact O-N 3.1Å; R279-W297 PolarHBondContact O-NE1 2.95Å; R279-W297 VanDerWaalsContact O-NE1 3.07Å
280	G	80.3	Confident	82.2	Confident	9 Å²	9	51.4 Å²	51.4	9%	0.093	26%	0.26	C	S	.	.	S	Bend	trans	-83.6	-179.1	177.3	0	0	0	0	0	114.3	E277 W297	E277-G280 PolarHBondContact O-N 3.31Å; G280-W297 VanDerWaalsContact C-NE1 3.28Å; G280-W297 PolarHBondContact O-NE1 2.93Å
281	P	88.2	Confident	82	Confident	7 Å²	7	50.7 Å²	50.7	5%	0.045	26%	0.257	C	S	.	.			trans	-65.5	142.8	161.2	30.9	-33.9	0	0	0	109.7	V283 F294 W297 L317	P281-V283 PolarHBondContact O-N 2.91Å; P281-V283 VanDerWaalsContact O-N 3.11Å; P281-F294 HydrophobicContact CB-CB 4.24Å; P281-F294 HydrophobicContact CB-CD2 3.98Å; P281-F294 HydrophobicContact CG-CD2 4.02Å; P281-W297 HydrophobicContact CB-CB 4.02Å; P281-W297 HydrophobicContact CB-CD2 4.3Å; P281-W297 HydrophobicContact CB-CG 3.99Å; P281-L317 HydrophobicContact CB-CD2 4.47Å; P281-L317 HydrophobicContact CG-CD1 3.97Å; P281-L317 HydrophobicContact CG-CD2 3.92Å
282	Q	87.2	Confident	81.7	Confident	112 Å²	112	55.8 Å²	55.8	52%	0.523	27%	0.274	S	S	.	.			trans	-74.7	101.6	178.4	-74.9	-78.8	-74.1	0	0	110.8	N293	Q282-N293 HydrophobicContact CB-CB 4.3Å; Q282-N293 PolarHBondContact O-ND2 2.99Å
283	V	91.1	Very high	81.6	Confident	22 Å²	22	57.2 Å²	57.2	13%	0.133	28%	0.282	C	S	.	.			trans	-86.3	144.7	179.1	-178.5	0	0	0	0	110.9	P281 T290 L317 T319 M321	P281-V283 PolarHBondContact O-N 2.91Å; P281-V283 VanDerWaalsContact O-N 3.11Å; V283-T290 HydrophobicContact CB-CG2 4.41Å; V283-T290 HydrophobicContact CG1-CG2 4.11Å; V283-T290 HydrophobicContact CG2-CG2 4.37Å; V283-L317 HydrophobicContact CG2-CD2 4.03Å; V283-T319 HydrophobicContact CG1-CG2 4.45Å; V283-M321 HydrophobicContact CG1-CB 3.86Å; V283-M321 HydrophobicContact CG1-CG 4.09Å
284	S	87.4	Confident	82	Confident	30 Å²	30	56.9 Å²	56.9	21%	0.21	28%	0.28	C	S	.	.			trans	-155.2	164.4	176.3	70.5	0	0	0	0	110.4	N286 T290	S284-N286 PolarHBondContact O-N 2.99Å; S284-N286 VanDerWaalsContact O-N 3.1Å; S284-N286 PolarHBondContact OG-N 3.29Å; S284-N286 PolarHBondContact OG-O 2.89Å; S284-T290 PolarHBondContact N-OG1 3.26Å; S284-T290 PolarHBondContact O-OG1 2.54Å; S284-T290 PolarHBondContact OG-OG1 3.36Å; S284-T290 VanDerWaalsContact OG-OG1 3.1Å
285	T	83.5	Confident	82.4	Confident	74 Å²	74	57.2 Å²	57.2	45%	0.454	28%	0.282	S	S	.	.	S	Bend	trans	-66	-7	172.7	59	0	0	0	0	113.9	A287 M321 D322 C324	T285-A287 PolarHBondContact O-N 2.03Å; T285-M321 HydrophobicContact CG2-CG 4.1Å; T285-M321 HydrophobicContact CG2-SD 3.67Å; T285-D322 VanDerWaalsContact CA-O 3.28Å; T285-D322 WeakPolarHBondContact CA-O 3.45Å; T285-D322 WeakPolarHBondContact CB-O 3.26Å; T285-D322 WeakPolarHBondContact CG2-O 3.47Å; T285-C324 WeakPolarHBondContact O-CA 3.46Å; T285-C324 WeakPolarHBondContact O-CB 3.06Å; T285-C324 PolarHBondContact O-N 3.39Å
286	N	80.5	Confident	83	Confident	80 Å²	80	57.5 Å²	57.5	43%	0.428	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-89.6	104.1	171.7	-175.6	-64	0	0	0	109.6	S284 A288 L289 T290	S284-N286 PolarHBondContact O-N 2.99Å; S284-N286 VanDerWaalsContact O-N 3.1Å; S284-N286 PolarHBondContact OG-N 3.29Å; S284-N286 PolarHBondContact OG-O 2.89Å; N286-A288 PolarHBondContact O-N 3.44Å; N286-A288 PolarHBondContact OD1-N 2.88Å; N286-L289 HydrophobicContact CB-CB 3.92Å; N286-L289 PolarHBondContact O-N 3.17Å; N286-L289 WeakPolarHBondContact OD1-CB 3.2Å; N286-L289 PolarHBondContact OD1-N 3.19Å; N286-T290 PolarHBondContact O-N 3.44Å; N286-T290 PolarHBondContact O-OG1 2.97Å; N286-T290 VanDerWaalsContact O-OG1 3.1Å
287	A	82.4	Confident	84.1	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-44.5	-175	0	0	0	0	0	112.9	T285 L289 T290 L291 L323 C324 M334 I349	T285-A287 PolarHBondContact O-N 2.03Å; A287-L289 PolarHBondContact O-N 3.15Å; A287-T290 PolarHBondContact O-N 3.03Å; A287-L291 WeakPolarHBondContact O-CB 3.39Å; A287-L291 PolarHBondContact O-N 3.25Å; A287-L323 HydrophobicContact CB-CB 4.35Å; A287-C324 WeakPolarHBondContact CB-O 3.4Å; A287-C324 PolarHBondContact N-O 3.19Å; A287-M334 HydrophobicContact CB-CB 4.47Å; A287-M334 HydrophobicContact CB-CE 3.67Å; A287-M334 HydrophobicContact CB-SD 4.06Å; A287-I349 HydrophobicContact CB-CD1 4.16Å; A287-I349 WeakPolarHBondContact O-CD1 3.46Å
288	A	76.8	Confident	85.1	Confident	54 Å²	54	50.7 Å²	50.7	45%	0.446	26%	0.255	S	S	.	.	H	α-helix	trans	-66.8	-34.8	-179.3	0	0	0	0	0	113.2	N286 R292 M334	N286-A288 PolarHBondContact O-N 3.44Å; N286-A288 PolarHBondContact OD1-N 2.88Å; A288-R292 WeakPolarHBondContact O-CB 3.47Å; A288-R292 PolarHBondContact O-N 2.95Å; A288-R292 VanDerWaalsContact O-N 3.16Å; A288-M334 HydrophobicContact CB-SD 3.96Å
289	L	80.3	Confident	86	Confident	61 Å²	61	47.9 Å²	47.9	32%	0.319	24%	0.236	S	C	.	.	H	α-helix	trans	-67.3	-48.2	172.4	177.1	57.8	0	0	0	110.8	N286 A287 R292 N293	N286-L289 HydrophobicContact CB-CB 3.92Å; N286-L289 PolarHBondContact O-N 3.17Å; N286-L289 WeakPolarHBondContact OD1-CB 3.2Å; N286-L289 PolarHBondContact OD1-N 3.19Å; A287-L289 PolarHBondContact O-N 3.15Å; L289-R292 PolarHBondContact O-N 3.13Å; L289-N293 WeakPolarHBondContact O-CB 3.3Å; L289-N293 PolarHBondContact O-N 2.67Å; L289-N293 PolarHBondContact O-ND2 2.92Å; L289-N293 PolarHBondContact O-OD1 2.95Å
290	T	86.3	Confident	86.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-45.5	179.3	-62.9	0	0	0	0	111.5	V283 S284 N286 A287 N293 F294 L317 L323 I349	V283-T290 HydrophobicContact CB-CG2 4.41Å; V283-T290 HydrophobicContact CG1-CG2 4.11Å; V283-T290 HydrophobicContact CG2-CG2 4.37Å; S284-T290 PolarHBondContact N-OG1 3.26Å; S284-T290 PolarHBondContact O-OG1 2.54Å; S284-T290 PolarHBondContact OG-OG1 3.36Å; S284-T290 VanDerWaalsContact OG-OG1 3.1Å; N286-T290 PolarHBondContact O-N 3.44Å; N286-T290 PolarHBondContact O-OG1 2.97Å; N286-T290 VanDerWaalsContact O-OG1 3.1Å; A287-T290 PolarHBondContact O-N 3.03Å; T290-N293 PolarHBondContact O-N 3.13Å; T290-F294 WeakPolarHBondContact O-CB 3.46Å; T290-F294 PolarHBondContact O-N 3.33Å; T290-L317 HydrophobicContact CG2-CD2 4.33Å; T290-L323 HydrophobicContact CG2-CD2 4.48Å; T290-I349 HydrophobicContact CG2-CD1 3.83Å; T290-I349 HydrophobicContact CG2-CG2 4.33Å
291	L	86.1	Confident	87	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-54.2	174.7	176.4	62.7	0	0	0	110.6	A287 N293 F294 C295 M334 C347 I349	A287-L291 WeakPolarHBondContact O-CB 3.39Å; A287-L291 PolarHBondContact O-N 3.25Å; L291-N293 VanDerWaalsContact C-N 3.28Å; L291-N293 PolarHBondContact O-N 3.1Å; L291-F294 PolarHBondContact O-N 2.92Å; L291-C295 VanDerWaalsContact CD1-SG 3.55Å; L291-C295 PolarHBondContact O-N 2.77Å; L291-C295 PolarHBondContact O-SG 3.08Å; L291-M334 HydrophobicContact CD2-CB 4.44Å; L291-M334 HydrophobicContact CD2-CG 3.83Å; L291-M334 HydrophobicContact CD2-SD 4.31Å; L291-C347 HydrophobicContact CD1-CB 4.24Å; L291-I349 HydrophobicContact CB-CD1 4.1Å; L291-I349 HydrophobicContact CB-CG1 4.32Å; L291-I349 HydrophobicContact CB-CG2 4.17Å; L291-I349 HydrophobicContact CD1-CG2 3.99Å
292	R	84.4	Confident	87.2	Confident	140 Å²	140	53.5 Å²	53.5	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-57.4	-41.3	-179.6	-170.6	-167	70.6	-164.2	-0.5	112.4	A288 L289 Q296	A288-R292 WeakPolarHBondContact O-CB 3.47Å; A288-R292 PolarHBondContact O-N 2.95Å; A288-R292 VanDerWaalsContact O-N 3.16Å; L289-R292 PolarHBondContact O-N 3.13Å; R292-Q296 WeakPolarHBondContact O-CG 3.21Å; R292-Q296 PolarHBondContact O-N 3.42Å
293	N	87	Confident	87.3	Confident	33 Å²	33	49.7 Å²	49.7	18%	0.176	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-43.6	177.1	-64.8	-13.1	0	0	0	110.9	Q282 L289 T290 L291 Q296 W297	Q282-N293 HydrophobicContact CB-CB 4.3Å; Q282-N293 PolarHBondContact O-ND2 2.99Å; L289-N293 WeakPolarHBondContact O-CB 3.3Å; L289-N293 PolarHBondContact O-N 2.67Å; L289-N293 PolarHBondContact O-ND2 2.92Å; L289-N293 PolarHBondContact O-OD1 2.95Å; T290-N293 PolarHBondContact O-N 3.13Å; L291-N293 VanDerWaalsContact C-N 3.28Å; L291-N293 PolarHBondContact O-N 3.1Å; N293-Q296 PolarHBondContact O-N 2.92Å; N293-W297 WeakPolarHBondContact O-CB 3.29Å; N293-W297 PolarHBondContact O-N 3.01Å
294	F	95.1	Very high	86.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-44.3	177.3	177.8	-123.4	0	0	0	112.8	V227 P281 T290 L291 Q296 W297 Q298 A315 L317 C347 S348 I349	V227-F294 HydrophobicContact CB-CE2 4.02Å; V227-F294 HydrophobicContact CB-CZ 4.33Å; V227-F294 HydrophobicContact CG1-CE2 4.45Å; V227-F294 HydrophobicContact CG2-CE2 3.8Å; V227-F294 HydrophobicContact CG2-CZ 4.05Å; P281-F294 HydrophobicContact CB-CB 4.24Å; P281-F294 HydrophobicContact CB-CD2 3.98Å; P281-F294 HydrophobicContact CG-CD2 4.02Å; T290-F294 WeakPolarHBondContact O-CB 3.46Å; T290-F294 PolarHBondContact O-N 3.33Å; L291-F294 PolarHBondContact O-N 2.92Å; F294-Q296 VanDerWaalsContact C-N 3.27Å; F294-Q296 PolarHBondContact O-N 2.86Å; F294-W297 HydrophobicContact CD2-CE3 4.37Å; F294-W297 HydrophobicContact CE2-CE3 4.23Å; F294-W297 PolarHBondContact O-N 2.65Å; F294-Q298 HydrophobicContact CE2-CB 4.16Å; F294-Q298 HydrophobicContact CZ-CB 4.29Å; F294-Q298 WeakPolarHBondContact O-CG 3.37Å; F294-Q298 PolarHBondContact O-N 2.68Å; F294-A315 HydrophobicContact CE1-CB 4.03Å; F294-A315 WeakPolarHBondContact CE1-O 3.27Å; F294-A315 HydrophobicContact CZ-CB 3.7Å; F294-L317 HydrophobicContact CB-CD2 4.04Å; F294-L317 HydrophobicContact CD1-CB 3.72Å; F294-L317 HydrophobicContact CD2-CB 3.89Å; F294-L317 HydrophobicContact CD2-CD2 4.05Å; F294-L317 HydrophobicContact CD2-CG 4.39Å; F294-L317 HydrophobicContact CE1-CB 3.66Å; F294-L317 HydrophobicContact CE2-CB 3.85Å; F294-L317 HydrophobicContact CG-CB 3.83Å; F294-L317 HydrophobicContact CG-CD2 3.96Å; F294-L317 HydrophobicContact CG-CG 4.49Å; F294-L317 HydrophobicContact CZ-CB 3.72Å; F294-C347 HydrophobicContact CD1-CB 4.17Å; F294-C347 HydrophobicContact CE1-CB 4.3Å; F294-S348 VanDerWaalsContact CE1-O 3.31Å; F294-S348 WeakPolarHBondContact CE1-O 3.34Å; F294-I349 HydrophobicContact CB-CG2 4.22Å; F294-I349 HydrophobicContact CD1-CG2 4Å; F294-I349 HydrophobicContact CG-CG2 4.42Å
295	C	89.7	Confident	86.9	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-38.4	175.6	-59.3	0	0	0	0	112.3	L291 Q298 C347	L291-C295 VanDerWaalsContact CD1-SG 3.55Å; L291-C295 PolarHBondContact O-N 2.77Å; L291-C295 PolarHBondContact O-SG 3.08Å; C295-Q298 PolarHBondContact O-NE2 3.37Å; C295-Q298 VanDerWaalsContact O-NE2 3.16Å; C295-C347 HydrophobicContact CB-CB 4.03Å; C295-C347 WeakPolarHBondContact CB-SG 3.35Å; C295-C347 WeakPolarHBondContact SG-CB 3.36Å; C295-C347 CovalentContact SG-SG 2.02Å; C295-C347 PolarHBondContact SG-SG 3.12Å
296	Q	89.2	Confident	86.9	Confident	116 Å²	116	59.1 Å²	59.1	54%	0.542	30%	0.297	S	S	.	.	H	α-helix	trans	-73.3	-30.6	175.1	-70	176.9	11.4	0	0	113.1	R292 N293 F294 Q300	R292-Q296 WeakPolarHBondContact O-CG 3.21Å; R292-Q296 PolarHBondContact O-N 3.42Å; N293-Q296 PolarHBondContact O-N 2.92Å; F294-Q296 VanDerWaalsContact C-N 3.27Å; F294-Q296 PolarHBondContact O-N 2.86Å; Q296-Q300 PolarHBondContact O-NE2 3.44Å
297	W	93.1	Very high	87	Confident	24 Å²	24	65.6 Å²	65.6	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-75.3	-53.2	176.6	-173.2	96.6	0	0	0	111.6	M225 V227 L272 R279 G280 P281 N293 F294 R299 Q300 H301	M225-W297 HydrophobicContact CE-CZ3 4.28Å; V227-W297 HydrophobicContact CG1-CH2 4.3Å; V227-W297 HydrophobicContact CG1-CZ3 4.15Å; V227-W297 HydrophobicContact CG2-CZ3 3.97Å; L272-W297 HydrophobicContact CD1-CH2 3.7Å; L272-W297 HydrophobicContact CD1-CZ3 4.06Å; R279-W297 PolarHBondContact O-NE1 2.95Å; R279-W297 VanDerWaalsContact O-NE1 3.07Å; G280-W297 VanDerWaalsContact C-NE1 3.28Å; G280-W297 PolarHBondContact O-NE1 2.93Å; P281-W297 HydrophobicContact CB-CB 4.02Å; P281-W297 HydrophobicContact CB-CD2 4.3Å; P281-W297 HydrophobicContact CB-CG 3.99Å; N293-W297 WeakPolarHBondContact O-CB 3.29Å; N293-W297 PolarHBondContact O-N 3.01Å; F294-W297 HydrophobicContact CD2-CE3 4.37Å; F294-W297 HydrophobicContact CE2-CE3 4.23Å; F294-W297 PolarHBondContact O-N 2.65Å; W297-R299 PolarHBondContact O-N 2.99Å; W297-R299 VanDerWaalsContact O-N 3.13Å; W297-Q300 WeakPolarHBondContact O-CB 3.45Å; W297-Q300 PolarHBondContact O-N 3.14Å; W297-H301 AromaticContact CD2-CD2 3.87Å; W297-H301 AromaticContact CE2-CD2 3.85Å; W297-H301 AromaticContact CE2-NE2 3.55Å; W297-H301 AromaticContact CE3-CD2 3.83Å; W297-H301 AromaticContact CH2-CD2 3.78Å; W297-H301 AromaticContact CH2-NE2 3.88Å; W297-H301 AromaticContact CZ2-CD2 3.83Å; W297-H301 AromaticContact CZ2-NE2 3.49Å; W297-H301 WeakPolarHBondContact CZ2-NE2 3.32Å; W297-H301 AromaticContact CZ3-CD2 3.77Å; W297-H301 PolarHBondContact O-CD2 2.59Å
298	Q	92.9	Very high	87.3	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-55.1	-38.7	-176.1	67	75.7	21.4	0	0	112.3	M225 F294 C295 Q300 H301 N302 Y312 A315 P343	M225-Q298 HydrophobicContact CE-CB 3.73Å; F294-Q298 HydrophobicContact CE2-CB 4.16Å; F294-Q298 HydrophobicContact CZ-CB 4.29Å; F294-Q298 WeakPolarHBondContact O-CG 3.37Å; F294-Q298 PolarHBondContact O-N 2.68Å; C295-Q298 PolarHBondContact O-NE2 3.37Å; C295-Q298 VanDerWaalsContact O-NE2 3.16Å; Q298-Q300 PolarHBondContact O-N 2.82Å; Q298-H301 WeakPolarHBondContact O-CA 3.25Å; Q298-H301 PolarHBondContact O-N 2.83Å; Q298-N302 PolarHBondContact O-N 3.31Å; Q298-Y312 PolarHBondContact O-OH 3Å; Q298-A315 HydrophobicContact CB-CB 3.78Å; Q298-A315 HydrophobicContact CG-CB 3.95Å; Q298-P343 PolarHBondContact NE2-O 3.06Å; Q298-P343 VanDerWaalsContact NE2-O 3.14Å
299	R	90.2	Very high	87.7	Confident	121 Å²	121	69.5 Å²	69.5	46%	0.457	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.2	179.2	-176.5	-172.5	178.4	161.4	15.3	112.9	W297 H301 E344	W297-R299 PolarHBondContact O-N 2.99Å; W297-R299 VanDerWaalsContact O-N 3.13Å; R299-H301 VanDerWaalsContact C-N 3.25Å; R299-H301 PolarHBondContact O-N 3.17Å; R299-E344 VanDerWaalsContact CZ-CD 3.41Å; R299-E344 IonicContact CZ-OE1 3.64Å; R299-E344 IonicContact CZ-OE2 2.73Å; R299-E344 IonicContact NH1-OE1 2.76Å; R299-E344 PolarHBondContact NH1-OE1 3.07Å; R299-E344 IonicContact NH1-OE2 3.11Å; R299-E344 PolarHBondContact NH1-OE2 3.41Å; R299-E344 IonicContact NH2-OE1 3.17Å; R299-E344 PolarHBondContact NH2-OE1 2.04Å
300	Q	88.1	Confident	88	Confident	149 Å²	149	69.3 Å²	69.3	70%	0.696	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-75.2	-17.4	-179.3	-60.5	171.6	66.7	0	0	112.3	Q296 W297 Q298	Q296-Q300 PolarHBondContact O-NE2 3.44Å; W297-Q300 WeakPolarHBondContact O-CB 3.45Å; W297-Q300 PolarHBondContact O-N 3.14Å; Q298-Q300 PolarHBondContact O-N 2.82Å
301	H	87.6	Confident	88.2	Confident	61 Å²	61	70.1 Å²	70.1	28%	0.282	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-106.2	2.3	179.6	-63.4	-79.5	0	0	0	113.5	K270 W297 Q298 R299 Y312	K270-H301 PolarHBondContact NZ-O 3.41Å; W297-H301 AromaticContact CD2-CD2 3.87Å; W297-H301 AromaticContact CE2-CD2 3.85Å; W297-H301 AromaticContact CE2-NE2 3.55Å; W297-H301 AromaticContact CE3-CD2 3.83Å; W297-H301 AromaticContact CH2-CD2 3.78Å; W297-H301 AromaticContact CH2-NE2 3.88Å; W297-H301 AromaticContact CZ2-CD2 3.83Å; W297-H301 AromaticContact CZ2-NE2 3.49Å; W297-H301 WeakPolarHBondContact CZ2-NE2 3.32Å; W297-H301 AromaticContact CZ3-CD2 3.77Å; W297-H301 PolarHBondContact O-CD2 2.59Å; Q298-H301 WeakPolarHBondContact O-CA 3.25Å; Q298-H301 PolarHBondContact O-N 2.83Å; R299-H301 VanDerWaalsContact C-N 3.25Å; R299-H301 PolarHBondContact O-N 3.17Å; H301-Y312 PolarHBondContact O-OH 3.34Å
302	N	92.3	Very high	88.6	Confident	23 Å²	23	69.6 Å²	69.6	12%	0.123	33%	0.328	C	S	.	.	S	Bend	trans	-99.1	114.7	-178.9	-161.8	-16.2	0	0	0	111.4	Q298 H311 Y312	Q298-N302 PolarHBondContact O-N 3.31Å; N302-H311 PolarHBondContact OD1-CE1 3.01Å; N302-H311 PolarHBondContact OD1-ND1 2.93Å; N302-Y312 WeakPolarHBondContact CA-OH 3.17Å; N302-Y312 HydrophobicContact CB-CE1 3.99Å; N302-Y312 HydrophobicContact CB-CE2 3.79Å; N302-Y312 VanDerWaalsContact CB-CZ 3.48Å; N302-Y312 WeakPolarHBondContact CB-OH 3.46Å; N302-Y312 PolarHBondContact N-OH 2.69Å; N302-Y312 VanDerWaalsContact N-OH 3.16Å; N302-Y312 WeakPolarHBondContact ND2-CD2 3.17Å; N302-Y312 WeakPolarHBondContact ND2-CE2 3.37Å; N302-Y312 PolarHBondContact ND2-O 3Å; N302-Y312 PolarHBondContact OD1-N 2.74Å
303	P	89.8	Confident	89.2	Confident	32 Å²	32	63.5 Å²	63.5	21%	0.208	31%	0.306	C	S	.	.			trans	-56.9	136.5	173.5	-24.9	34.1	0	0	0	113.1	S305 H308 E310 H311	P303-S305 PolarHBondContact O-N 3.28Å; P303-H308 HydrophobicContact CB-CB 3.75Å; P303-H308 HydrophobicContact CG-CB 4.23Å; P303-H308 WeakPolarHBondContact CG-ND1 3.31Å; P303-E310 WeakPolarHBondContact CD-O 3.38Å; P303-E310 HydrophobicContact CG-CB 4.33Å; P303-E310 WeakPolarHBondContact CG-O 3.23Å; P303-H311 PolarHBondContact O-ND1 3.18Å
304	L	83.3	Confident	89.6	Confident	186 Å²	186	62 Å²	62	97%	0.974	30%	0.298	S	S	*	.	S	Bend	trans	-69.3	14.7	-176.8	-63.1	176.3	0	0	0	115.9
305	S	85.8	Confident	89.7	Confident	63 Å²	63	62 Å²	62	44%	0.441	30%	0.298	S	S	.	.	S	Bend	trans	-146.7	123.4	-177.8	-170.3	0	0	0	0	112.1	P303 R307 H308	P303-S305 PolarHBondContact O-N 3.28Å; S305-R307 PolarHBondContact O-N 3.47Å; S305-H308 WeakPolarHBondContact O-CB 3.4Å; S305-H308 PolarHBondContact O-N 3.29Å
306	D	83.6	Confident	90.1	Very high	74 Å²	74	61.6 Å²	61.6	40%	0.396	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41	-34.1	172.4	-55.6	-44.9	0	0	0	113.6	H308 H311	D306-H308 PolarHBondContact O-N 2.88Å; D306-H311 IonicContact OD1-CD2 3.58Å; D306-H311 IonicContact OD1-NE2 3.88Å
307	R	84	Confident	90.5	Very high	216 Å²	216	56 Å²	56	82%	0.815	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-4.3	-174.2	-57.9	-174.7	-174.9	179.3	3.9	114.1	S305	S305-R307 PolarHBondContact O-N 3.47Å
308	H	87	Confident	90.8	Very high	83 Å²	83	54.9 Å²	54.9	38%	0.384	27%	0.265	S	S	.	.	S	Bend	trans	-79.8	132.3	178.5	-164.6	-94	0	0	0	109.7	P303 S305 D306 E310 H311	P303-H308 HydrophobicContact CB-CB 3.75Å; P303-H308 HydrophobicContact CG-CB 4.23Å; P303-H308 WeakPolarHBondContact CG-ND1 3.31Å; S305-H308 WeakPolarHBondContact O-CB 3.4Å; S305-H308 PolarHBondContact O-N 3.29Å; D306-H308 PolarHBondContact O-N 2.88Å; H308-E310 PolarHBondContact ND1-N 3.27Å; H308-E310 PolarHBondContact O-N 3.1Å; H308-H311 HydrophobicContact CB-CB 4.36Å; H308-H311 WeakPolarHBondContact O-CB 3.46Å; H308-H311 PolarHBondContact O-N 2.88Å
309	P	86.8	Confident	90.9	Very high	53 Å²	53	54.8 Å²	54.8	34%	0.344	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-3.2	-178.9	-22.8	33.8	0	0	0	116.2	V430 K431	P309-V430 HydrophobicContact CB-CB 4.23Å; P309-V430 HydrophobicContact CB-CG1 4.39Å; P309-V430 HydrophobicContact CG-CB 4.29Å; P309-V430 HydrophobicContact CG-CG1 4.07Å; P309-K431 HydrophobicContact CB-CB 4.37Å
310	E	85.3	Confident	90.9	Very high	57 Å²	57	52.6 Å²	52.6	27%	0.266	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	16	174.2	-61.9	-177.1	-152.7	0	0	112.5	H88 K270 P303 H308 Y312	H88-E310 IonicContact NE2-OE1 2.82Å; K270-E310 HydrophobicContact CD-CB 4.3Å; K270-E310 WeakPolarHBondContact CE-OE2 3.27Å; K270-E310 IonicContact NZ-OE2 3.53Å; K270-E310 PolarHBondContact NZ-OE2 2.93Å; P303-E310 WeakPolarHBondContact CD-O 3.38Å; P303-E310 HydrophobicContact CG-CB 4.33Å; P303-E310 WeakPolarHBondContact CG-O 3.23Å; H308-E310 PolarHBondContact ND1-N 3.27Å; H308-E310 PolarHBondContact O-N 3.1Å; E310-Y312 WeakPolarHBondContact O-CD1 3.25Å
311	H	92.1	Very high	90.9	Very high	18 Å²	18	48.9 Å²	48.9	8%	0.083	24%	0.24	C	C	.	.			trans	-63.3	160.2	161.1	-171.5	63.7	0	0	0	109.3	E223 V269 N302 P303 D306 H308	E223-H311 IonicContact OE2-CD2 2.78Å; V269-H311 VanDerWaalsContact CG2-O 3.23Å; V269-H311 WeakPolarHBondContact CG2-O 3.48Å; N302-H311 PolarHBondContact OD1-CE1 3.01Å; N302-H311 PolarHBondContact OD1-ND1 2.93Å; P303-H311 PolarHBondContact O-ND1 3.18Å; D306-H311 IonicContact OD1-CD2 3.58Å; D306-H311 IonicContact OD1-NE2 3.88Å; H308-H311 HydrophobicContact CB-CB 4.36Å; H308-H311 WeakPolarHBondContact O-CB 3.46Å; H308-H311 PolarHBondContact O-N 2.88Å
312	Y	94.2	Very high	90.8	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.246	C	C	.	.			trans	-155	138.1	170.5	42.9	-86.5	0	0	0	110.6	E223 M225 K270 Q298 H301 N302 E310 T314 A315	E223-Y312 WeakPolarHBondContact O-CB 3.28Å; M225-Y312 HydrophobicContact CB-CD1 3.77Å; M225-Y312 HydrophobicContact CB-CD2 3.76Å; M225-Y312 HydrophobicContact CB-CE1 3.86Å; M225-Y312 HydrophobicContact CB-CE2 3.84Å; M225-Y312 HydrophobicContact CB-CG 3.71Å; M225-Y312 HydrophobicContact CE-CE1 4.29Å; M225-Y312 HydrophobicContact CE-CE2 3.75Å; M225-Y312 VanDerWaalsContact CE-CZ 3.47Å; M225-Y312 WeakPolarHBondContact CE-OH 3.39Å; M225-Y312 HydrophobicContact CG-CE1 4.36Å; M225-Y312 HydrophobicContact SD-CE1 3.78Å; M225-Y312 HydrophobicContact SD-CE2 4.28Å; M225-Y312 VanDerWaalsContact SD-CZ 3.57Å; M225-Y312 PolarHBondContact SD-OH 3.3Å; M225-Y312 VanDerWaalsContact SD-OH 3.39Å; K270-Y312 HydrophobicContact CD-CD1 4.43Å; K270-Y312 HydrophobicContact CD-CE1 4.01Å; Q298-Y312 PolarHBondContact O-OH 3Å; H301-Y312 PolarHBondContact O-OH 3.34Å; N302-Y312 WeakPolarHBondContact CA-OH 3.17Å; N302-Y312 HydrophobicContact CB-CE1 3.99Å; N302-Y312 HydrophobicContact CB-CE2 3.79Å; N302-Y312 VanDerWaalsContact CB-CZ 3.48Å; N302-Y312 WeakPolarHBondContact CB-OH 3.46Å; N302-Y312 PolarHBondContact N-OH 2.69Å; N302-Y312 VanDerWaalsContact N-OH 3.16Å; N302-Y312 WeakPolarHBondContact ND2-CD2 3.17Å; N302-Y312 WeakPolarHBondContact ND2-CE2 3.37Å; N302-Y312 PolarHBondContact ND2-O 3Å; N302-Y312 PolarHBondContact OD1-N 2.74Å; E310-Y312 WeakPolarHBondContact O-CD1 3.25Å; Y312-T314 VanDerWaalsContact C-N 3.27Å; Y312-T314 WeakPolarHBondContact CD2-O 3.43Å; Y312-T314 PolarHBondContact O-N 2.84Å; Y312-A315 HydrophobicContact CD2-CB 4.3Å; Y312-A315 HydrophobicContact CE2-CB 4.02Å
313	D	95.6	Very high	90.4	Very high	13 Å²	13	48.6 Å²	48.6	7%	0.07	24%	0.24	C	C	.	.	S	Bend	trans	-62	-37.8	172.7	-60.5	-71	0	0	0	111	L222 E223 S346 C424 L425	L222-D313 WeakPolarHBondContact CA-OD2 3.4Å; L222-D313 HydrophobicContact CD1-CB 3.67Å; E223-D313 PolarHBondContact N-OD2 2.94Å; E223-D313 PolarHBondContact O-N 3.39Å; D313-S346 WeakPolarHBondContact O-CB 3.36Å; D313-S346 PolarHBondContact O-OG 2.91Å; D313-C424 WeakPolarHBondContact OD1-CB 3.38Å; D313-C424 PolarHBondContact OD1-SG 3.47Å; D313-L425 HydrophobicContact CB-CD2 4Å; D313-L425 VanDerWaalsContact CG-CD2 3.46Å; D313-L425 WeakPolarHBondContact OD2-CD2 3.5Å
314	T	97.1	Very high	89.7	Confident	1 Å²	1	48 Å²	48	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.9	-171.9	-155.4	0	0	0	0	113.4	L222 E223 I224 M225 Y312 S346 L365	L222-T314 HydrophobicContact CD1-CG2 4.04Å; L222-T314 HydrophobicContact CD2-CG2 3.97Å; L222-T314 HydrophobicContact CG-CG2 4.02Å; E223-T314 PolarHBondContact O-N 3.02Å; I224-T314 WeakPolarHBondContact CA-O 3.4Å; I224-T314 HydrophobicContact CG1-CG2 3.98Å; M225-T314 PolarHBondContact N-O 3.45Å; Y312-T314 VanDerWaalsContact C-N 3.27Å; Y312-T314 WeakPolarHBondContact CD2-O 3.43Å; Y312-T314 PolarHBondContact O-N 2.84Å; T314-S346 WeakPolarHBondContact CA-OG 3.47Å; T314-S346 WeakPolarHBondContact CB-OG 3.44Å; T314-S346 PolarHBondContact OG1-O 2.81Å; T314-S346 PolarHBondContact OG1-OG 2.92Å; T314-L365 HydrophobicContact CG2-CD2 4Å
315	A	97.1	Very high	89	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.1	179.3	0	0	0	0	0	112	M225 F294 Q298 Y312 S346 C347 S348	M225-A315 HydrophobicContact CB-CB 4.28Å; M225-A315 HydrophobicContact CE-CB 3.87Å; M225-A315 CarbonylContact O-C 3.56Å; M225-A315 WeakPolarHBondContact O-CA 3.35Å; F294-A315 HydrophobicContact CE1-CB 4.03Å; F294-A315 WeakPolarHBondContact CE1-O 3.27Å; F294-A315 HydrophobicContact CZ-CB 3.7Å; Q298-A315 HydrophobicContact CB-CB 3.78Å; Q298-A315 HydrophobicContact CG-CB 3.95Å; Y312-A315 HydrophobicContact CD2-CB 4.3Å; Y312-A315 HydrophobicContact CE2-CB 4.02Å; A315-S346 PolarHBondContact N-O 2.9Å; A315-C347 WeakPolarHBondContact O-CA 3.3Å; A315-S348 PolarHBondContact O-N 3Å
316	I	98.2	Very high	88	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125	-179.7	-50.3	179.9	0	0	0	109.2	I224 M225 L226 V227 M248 F318 I350 V361 L365	I224-I316 HydrophobicContact CG2-CD1 3.77Å; I224-I316 HydrophobicContact CG2-CG1 3.88Å; M225-I316 PolarHBondContact O-N 3.36Å; L226-I316 HydrophobicContact CD2-CB 4.43Å; L226-I316 HydrophobicContact CD2-CD1 4.35Å; V227-I316 PolarHBondContact N-O 2.92Å; M248-I316 HydrophobicContact CE-CD1 4.05Å; M248-I316 HydrophobicContact SD-CD1 4.25Å; I316-F318 HydrophobicContact CB-CE2 4.15Å; I316-F318 HydrophobicContact CG2-CD2 4.18Å; I316-F318 HydrophobicContact CG2-CE2 3.57Å; I316-F318 HydrophobicContact CG2-CZ 3.86Å; I316-I350 HydrophobicContact CG2-CG1 3.68Å; I316-V361 HydrophobicContact CD1-CG1 4.06Å; I316-L365 HydrophobicContact CD1-CD1 4.25Å; I316-L365 HydrophobicContact CD1-CD2 4.19Å; I316-L365 HydrophobicContact CD1-CG 4.34Å
317	L	97.7	Very high	86.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.3	171.4	178.6	62.6	0	0	0	110.6	V227 D229 P281 V283 T290 F294 S348 I349 I350	V227-L317 HydrophobicContact CB-CD1 4.02Å; V227-L317 HydrophobicContact CG1-CD1 3.8Å; V227-L317 CarbonylContact O-C 3.6Å; V227-L317 WeakPolarHBondContact O-CA 3.25Å; D229-L317 HydrophobicContact CB-CD1 4.49Å; P281-L317 HydrophobicContact CB-CD2 4.47Å; P281-L317 HydrophobicContact CG-CD1 3.97Å; P281-L317 HydrophobicContact CG-CD2 3.92Å; V283-L317 HydrophobicContact CG2-CD2 4.03Å; T290-L317 HydrophobicContact CG2-CD2 4.33Å; F294-L317 HydrophobicContact CB-CD2 4.04Å; F294-L317 HydrophobicContact CD1-CB 3.72Å; F294-L317 HydrophobicContact CD2-CB 3.89Å; F294-L317 HydrophobicContact CD2-CD2 4.05Å; F294-L317 HydrophobicContact CD2-CG 4.39Å; F294-L317 HydrophobicContact CE1-CB 3.66Å; F294-L317 HydrophobicContact CE2-CB 3.85Å; F294-L317 HydrophobicContact CG-CB 3.83Å; F294-L317 HydrophobicContact CG-CD2 3.96Å; F294-L317 HydrophobicContact CG-CG 4.49Å; F294-L317 HydrophobicContact CZ-CB 3.72Å; L317-S348 PolarHBondContact N-O 2.9Å; L317-I349 HydrophobicContact CB-CG2 4.14Å; L317-I349 HydrophobicContact CD2-CG2 4.22Å; L317-I350 PolarHBondContact O-N 3.42Å
318	F	97.5	Very high	86.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.4	169	-64.2	-96	0	0	0	110.3	L226 V227 D229 M232 L244 I247 I316 I350 V361	L226-F318 HydrophobicContact CD2-CE2 4.12Å; V227-F318 PolarHBondContact O-N 2.83Å; D229-F318 PolarHBondContact N-O 3.32Å; M232-F318 HydrophobicContact CE-CB 3.81Å; M232-F318 HydrophobicContact CG-CB 3.96Å; M232-F318 VanDerWaalsContact CG-O 3.26Å; M232-F318 WeakPolarHBondContact CG-O 3.22Å; M232-F318 HydrophobicContact SD-CB 3.99Å; L244-F318 HydrophobicContact CD2-CB 4.25Å; L244-F318 HydrophobicContact CD2-CD1 3.96Å; L244-F318 HydrophobicContact CD2-CD2 3.69Å; L244-F318 HydrophobicContact CD2-CE1 4.21Å; L244-F318 HydrophobicContact CD2-CE2 3.96Å; L244-F318 HydrophobicContact CD2-CG 3.68Å; L244-F318 HydrophobicContact CD2-CZ 4.21Å; I247-F318 HydrophobicContact CD1-CE1 4.27Å; I247-F318 HydrophobicContact CG2-CE1 3.95Å; I247-F318 HydrophobicContact CG2-CZ 4.02Å; I316-F318 HydrophobicContact CB-CE2 4.15Å; I316-F318 HydrophobicContact CG2-CD2 4.18Å; I316-F318 HydrophobicContact CG2-CE2 3.57Å; I316-F318 HydrophobicContact CG2-CZ 3.86Å; F318-I350 WeakPolarHBondContact CA-O 3.47Å; F318-I350 HydrophobicContact CD1-CB 4.04Å; F318-I350 HydrophobicContact CD1-CG2 3.92Å; F318-I350 HydrophobicContact CE1-CB 4.18Å; F318-I350 HydrophobicContact CE1-CG1 4.45Å; F318-I350 HydrophobicContact CE1-CG2 3.94Å; F318-V361 HydrophobicContact CE1-CG2 3.67Å; F318-V361 HydrophobicContact CZ-CG2 3.56Å
319	T	95.3	Very high	85.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154	176.8	-174.3	0	0	0	0	111.2	D229 V283 M321 L323 I350 D352	D229-T319 WeakPolarHBondContact OD2-CB 3.45Å; D229-T319 PolarHBondContact OD2-OG1 3.44Å; V283-T319 HydrophobicContact CG1-CG2 4.45Å; T319-M321 HydrophobicContact CG2-CB 4.08Å; T319-M321 VanDerWaalsContact OG1-CB 3.25Å; T319-M321 WeakPolarHBondContact OG1-CB 3.17Å; T319-M321 PolarHBondContact OG1-N 3.11Å; T319-L323 HydrophobicContact CG2-CD1 4.27Å; T319-L323 HydrophobicContact CG2-CD2 4.3Å; T319-L323 HydrophobicContact CG2-CG 4.3Å; T319-I350 PolarHBondContact N-O 3.48Å; T319-I350 VanDerWaalsContact N-O 3.08Å; T319-D352 PolarHBondContact O-N 2.6Å
320	R	90.2	Very high	84.6	Confident	74 Å²	74	37 Å²	37	28%	0.279	21%	0.21	S	C	.	.			trans	-99	12.1	165.2	-67.2	-74.6	-83.3	159.6	-7.2	112.1	S231 M232 F235 D352	S231-R320 PolarHBondContact OG-N 2.86Å; M232-R320 HydrophobicContact SD-CG 3.85Å; F235-R320 HydrophobicContact CB-CG 4.36Å; F235-R320 VanDerWaalsContact CE2-NH2 3.32Å; R320-D352 WeakPolarHBondContact CD-O 3.38Å; R320-D352 HydrophobicContact CG-CB 4.43Å; R320-D352 PolarHBondContact NH1-O 2.94Å
321	M	89.5	Confident	84.2	Confident	72 Å²	72	34.6 Å²	34.6	36%	0.355	20%	0.199	S	C	.	.	S	Bend	trans	-73.2	129.8	167	-173.6	69.9	66	0	0	109.9	V283 T285 T319 L323	V283-M321 HydrophobicContact CG1-CB 3.86Å; V283-M321 HydrophobicContact CG1-CG 4.09Å; T285-M321 HydrophobicContact CG2-CG 4.1Å; T285-M321 HydrophobicContact CG2-SD 3.67Å; T319-M321 HydrophobicContact CG2-CB 4.08Å; T319-M321 VanDerWaalsContact OG1-CB 3.25Å; T319-M321 WeakPolarHBondContact OG1-CB 3.17Å; T319-M321 PolarHBondContact OG1-N 3.11Å; M321-L323 PolarHBondContact O-N 3.16Å
322	D	84.9	Confident	83.8	Confident	78 Å²	78	34 Å²	34	42%	0.417	20%	0.196	S	C	.	.			trans	-56.5	118	169.2	173.5	-1.9	0	0	0	110.2	T285 C329 E351	T285-D322 VanDerWaalsContact CA-O 3.28Å; T285-D322 WeakPolarHBondContact CA-O 3.45Å; T285-D322 WeakPolarHBondContact CB-O 3.26Å; T285-D322 WeakPolarHBondContact CG2-O 3.47Å; D322-C329 WeakPolarHBondContact OD1-CB 3.44Å; D322-E351 WeakPolarHBondContact CA-OE2 3.26Å
323	L	83.3	Confident	83.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.			trans	-97.6	113.5	-177.4	-69.5	-176	0	0	0	111.4	A287 T290 T319 M321 T331 I349 E351	A287-L323 HydrophobicContact CB-CB 4.35Å; T290-L323 HydrophobicContact CG2-CD2 4.48Å; T319-L323 HydrophobicContact CG2-CD1 4.27Å; T319-L323 HydrophobicContact CG2-CD2 4.3Å; T319-L323 HydrophobicContact CG2-CG 4.3Å; M321-L323 PolarHBondContact O-N 3.16Å; L323-T331 WeakPolarHBondContact CB-O 3.46Å; L323-T331 VanDerWaalsContact O-CB 3.24Å; L323-T331 WeakPolarHBondContact O-CB 2.98Å; L323-T331 PolarHBondContact O-N 3.22Å; L323-I349 HydrophobicContact CD1-CD1 3.82Å; L323-I349 HydrophobicContact CD1-CG1 4.06Å; L323-I349 HydrophobicContact CD2-CD1 4.21Å; L323-E351 HydrophobicContact CD1-CB 4.12Å; L323-E351 HydrophobicContact CG-CB 4.29Å; L323-E351 PolarHBondContact N-OE2 3.1Å
324	C	76.2	Confident	83	Confident	20 Å²	20	34.1 Å²	34.1	14%	0.135	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-101.5	133	176.9	-47.2	0	0	0	0	112.8	T285 A287 C329	T285-C324 WeakPolarHBondContact O-CA 3.46Å; T285-C324 WeakPolarHBondContact O-CB 3.06Å; T285-C324 PolarHBondContact O-N 3.39Å; A287-C324 WeakPolarHBondContact CB-O 3.4Å; A287-C324 PolarHBondContact N-O 3.19Å; C324-C329 HydrophobicContact CB-CB 3.97Å; C324-C329 WeakPolarHBondContact CB-SG 3.43Å; C324-C329 WeakPolarHBondContact SG-CB 3.37Å; C324-C329 CovalentContact SG-SG 2.05Å; C324-C329 PolarHBondContact SG-SG 2.93Å
325	G	68.8	Low	82.6	Confident	23 Å²	23	34.4 Å²	34.4	24%	0.237	20%	0.199	C	C	.	.			trans	-78.7	-174.4	161.6	0	0	0	0	0	111.9	H327 S328 T331	G325-H327 PolarHBondContact O-N 3.35Å; G325-S328 PolarHBondContact N-O 3.29Å; G325-T331 PolarHBondContact N-OG1 3.44Å
326	A	63.8	Low	81.8	Confident	96 Å²	96	36.2 Å²	36.2	79%	0.793	21%	0.209	S	C	*	.	S	Bend	trans	-66.1	-17.5	-177.9	0	0	0	0	0	114.6
327	H	58.1	Low	81	Confident	179 Å²	179	39.2 Å²	39.2	83%	0.829	23%	0.227	S	C	*	.	S	Bend	trans	-131.7	-13.1	-170.1	-59	-32.1	0	0	0	115	G325	G325-H327 PolarHBondContact O-N 3.35Å
328	S	70.2	Confident	80.4	Confident	37 Å²	37	40 Å²	40	26%	0.259	24%	0.236	S	C	.	.			trans	-162.3	147.3	178.6	49.7	0	0	0	0	112.6	G325 D330 T331	G325-S328 PolarHBondContact N-O 3.29Å; S328-D330 VanDerWaalsContact CB-OD2 3.25Å; S328-D330 WeakPolarHBondContact CB-OD2 3.21Å; S328-D330 PolarHBondContact O-N 2.86Å; S328-D330 PolarHBondContact OG-OD2 2.03Å; S328-T331 PolarHBondContact O-OG1 3.46Å
329	C	70.9	Confident	80.1	Confident	68 Å²	68	40.6 Å²	40.6	46%	0.459	24%	0.239	S	C	.	.	S	Bend	trans	-86.9	43.1	169.6	-57.6	0	0	0	0	111.5	D322 C324	D322-C329 WeakPolarHBondContact OD1-CB 3.44Å; C324-C329 HydrophobicContact CB-CB 3.97Å; C324-C329 WeakPolarHBondContact CB-SG 3.43Å; C324-C329 WeakPolarHBondContact SG-CB 3.37Å; C324-C329 CovalentContact SG-SG 2.05Å; C324-C329 PolarHBondContact SG-SG 2.93Å
330	D	71.4	Confident	80	Confident	41 Å²	41	40.6 Å²	40.6	22%	0.219	24%	0.239	C	C	.	.			trans	-95.4	1.5	177.1	-61.4	-25.1	0	0	0	111.3	S178 K179 S328 L332	S178-D330 CarbonylContact C-O 3.53Å; S178-D330 VanDerWaalsContact CA-O 3.26Å; S178-D330 WeakPolarHBondContact CA-O 3.39Å; S178-D330 WeakPolarHBondContact CB-O 3.41Å; K179-D330 HydrophobicContact CB-CB 4.03Å; K179-D330 HydrophobicContact CD-CB 4.25Å; K179-D330 HydrophobicContact CG-CB 4Å; K179-D330 PolarHBondContact N-O 3.4Å; K179-D330 IonicContact NZ-OD2 2.65Å; K179-D330 PolarHBondContact NZ-OD2 2.78Å; S328-D330 VanDerWaalsContact CB-OD2 3.25Å; S328-D330 WeakPolarHBondContact CB-OD2 3.21Å; S328-D330 PolarHBondContact O-N 2.86Å; S328-D330 PolarHBondContact OG-OD2 2.03Å; D330-L332 PolarHBondContact O-N 2.89Å
331	T	75.4	Confident	80.1	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.037	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-98.3	86.7	-149.7	-50.5	0	0	0	0	113	K179 L323 G325 S328 G333	K179-T331 WeakPolarHBondContact O-CA 3.47Å; L323-T331 WeakPolarHBondContact CB-O 3.46Å; L323-T331 VanDerWaalsContact O-CB 3.24Å; L323-T331 WeakPolarHBondContact O-CB 2.98Å; L323-T331 PolarHBondContact O-N 3.22Å; G325-T331 PolarHBondContact N-OG1 3.44Å; S328-T331 PolarHBondContact O-OG1 3.46Å; T331-G333 VanDerWaalsContact CG2-O 3.3Å; T331-G333 WeakPolarHBondContact CG2-O 3.32Å; T331-G333 PolarHBondContact O-N 2.03Å; T331-G333 VanDerWaalsContact O-N 3.09Å
332	L	83.8	Confident	80.1	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	24%	0.239	C	C	.	.			trans	-63.3	-18.4	-176.2	-69.9	175.7	0	0	0	115.2	S178 K179 D330 E351 D353 T360	S178-L332 VanDerWaalsContact OG-CD1 3.31Å; S178-L332 WeakPolarHBondContact OG-CD1 3.04Å; K179-L332 PolarHBondContact O-N 3.26Å; D330-L332 PolarHBondContact O-N 2.89Å; L332-E351 HydrophobicContact CD2-CB 4.3Å; L332-E351 HydrophobicContact CD2-CG 4.48Å; L332-E351 WeakPolarHBondContact O-CB 3.32Å; L332-E351 PolarHBondContact O-N 2.83Å; L332-D353 HydrophobicContact CD2-CB 4.17Å; L332-T360 HydrophobicContact CB-CG2 3.81Å; L332-T360 WeakPolarHBondContact O-CG2 3.19Å
333	G	87.1	Confident	80.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	161.6	-175.9	0	0	0	0	0	113.6	T331 I349 E364	T331-G333 VanDerWaalsContact CG2-O 3.3Å; T331-G333 WeakPolarHBondContact CG2-O 3.32Å; T331-G333 PolarHBondContact O-N 2.03Å; T331-G333 VanDerWaalsContact O-N 3.09Å; G333-I349 VanDerWaalsContact CA-O 3.31Å; G333-I349 WeakPolarHBondContact CA-O 3.4Å; G333-E364 VanDerWaalsContact C-CD 3.49Å; G333-E364 VanDerWaalsContact C-OE1 3.29Å
334	M	87.7	Confident	80.3	Confident	18 Å²	18	43.5 Å²	43.5	9%	0.089	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	139.2	172.3	-169	175.2	-75.8	0	0	111.9	G181 A287 A288 L291 S348 I349 E364	G181-M334 WeakPolarHBondContact O-CE 3.38Å; G181-M334 WeakPolarHBondContact O-CG 3.08Å; A287-M334 HydrophobicContact CB-CB 4.47Å; A287-M334 HydrophobicContact CB-CE 3.67Å; A287-M334 HydrophobicContact CB-SD 4.06Å; A288-M334 HydrophobicContact CB-SD 3.96Å; L291-M334 HydrophobicContact CD2-CB 4.44Å; L291-M334 HydrophobicContact CD2-CG 3.83Å; L291-M334 HydrophobicContact CD2-SD 4.31Å; M334-S348 WeakPolarHBondContact O-CA 3.28Å; M334-I349 HydrophobicContact CB-CD1 4.35Å; M334-I349 HydrophobicContact CB-CG1 4.01Å; M334-I349 PolarHBondContact N-O 2.87Å; M334-I349 VanDerWaalsContact N-O 3.12Å; M334-I349 PolarHBondContact O-N 3.1Å; M334-E364 VanDerWaalsContact CA-OE2 3.26Å; M334-E364 WeakPolarHBondContact CA-OE2 3.28Å; M334-E364 PolarHBondContact N-OE2 3.21Å
335	A	87.6	Confident	80.7	Confident	6 Å²	6	47.1 Å²	47.1	5%	0.05	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.1	174	0	0	0	0	0	112.2	E364 H367 V368	A335-E364 HydrophobicContact CB-CB 4.11Å; A335-E364 WeakPolarHBondContact CB-OE2 3.48Å; A335-E364 PolarHBondContact N-OE2 2.84Å; A335-H367 HydrophobicContact CB-CB 4.2Å; A335-V368 HydrophobicContact CB-CG2 3.86Å
336	D	80	Confident	81.9	Confident	39 Å²	39	46.1 Å²	46.1	21%	0.209	27%	0.266	C	S	.	.			trans	-81.2	144.7	169.6	-91.2	-38.1	0	0	0	111.7	T339 R345 H367	D336-T339 HydrophobicContact CB-CG2 3.69Å; D336-T339 PolarHBondContact O-OG1 3.19Å; D336-R345 HydrophobicContact CB-CB 4.46Å; D336-R345 IonicContact OD1-CZ 2.7Å; D336-R345 IonicContact OD1-NE 3.97Å; D336-R345 IonicContact OD1-NH2 3.65Å; D336-R345 PolarHBondContact OD1-NH2 2.76Å; D336-R345 IonicContact OD2-CZ 2.76Å; D336-R345 IonicContact OD2-NE 2.68Å; D336-R345 PolarHBondContact OD2-NE 2.99Å; D336-R345 IonicContact OD2-NH2 2.62Å; D336-R345 PolarHBondContact OD2-NH2 2.74Å; D336-H367 CarbonylContact O-C 3.51Å
337	V	82.4	Confident	83.3	Confident	62 Å²	62	41.5 Å²	41.5	38%	0.376	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	122.7	-176.2	-175.3	0	0	0	0	112	V182 H367	V182-V337 HydrophobicContact CG1-CG2 4.41Å; V337-H367 CarbonylContact C-O 3.22Å; V337-H367 VanDerWaalsContact CA-O 3.3Å; V337-H367 WeakPolarHBondContact CA-O 3.48Å; V337-H367 HydrophobicContact CG2-CB 4.32Å
338	G	85.5	Confident	85.2	Confident	18 Å²	18	33 Å²	33	19%	0.186	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	18.5	170.7	0	0	0	0	0	115.9	H367 V368 F416	G338-H367 PolarHBondContact N-O 3.1Å; G338-V368 CarbonylContact C-O 3.56Å; G338-V368 VanDerWaalsContact C-O 3.32Å; G338-V368 VanDerWaalsContact CA-O 3.3Å; G338-V368 WeakPolarHBondContact CA-O 3.37Å; G338-F416 WeakPolarHBondContact O-CE2 3.37Å; G338-F416 VanDerWaalsContact O-CZ 3.29Å; G338-F416 WeakPolarHBondContact O-CZ 3.49Å
339	T	90.6	Very high	86.4	Confident	11 Å²	11	31.2 Å²	31.2	7%	0.067	18%	0.176	C	C	.	.			trans	-94.5	10.6	-170.3	53.3	0	0	0	0	115.3	D336 C341 D342 R345 S346 V368	D336-T339 HydrophobicContact CB-CG2 3.69Å; D336-T339 PolarHBondContact O-OG1 3.19Å; T339-C341 PolarHBondContact O-N 3.5Å; T339-D342 WeakPolarHBondContact O-CB 3.42Å; T339-D342 PolarHBondContact O-N 2.7Å; T339-R345 VanDerWaalsContact CB-O 3.27Å; T339-R345 WeakPolarHBondContact CB-O 3.43Å; T339-R345 HydrophobicContact CG2-CB 3.59Å; T339-R345 PolarHBondContact OG1-O 3.14Å; T339-S346 VanDerWaalsContact O-CB 3.3Å; T339-S346 WeakPolarHBondContact O-CB 3.22Å; T339-V368 PolarHBondContact N-O 2.04Å
340	V	93.4	Very high	87.6	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-26.9	-171.9	81.7	0	0	0	0	116.8	L222 S346 V368 F369 F416 L425	L222-V340 HydrophobicContact CD1-CG2 3.44Å; L222-V340 VanDerWaalsContact CD1-CG2 3.44Å; V340-S346 PolarHBondContact O-OG 2.84Å; V340-V368 HydrophobicContact CB-CG1 3.67Å; V340-V368 HydrophobicContact CG2-CG1 3.81Å; V340-V368 PolarHBondContact N-O 3.34Å; V340-F369 HydrophobicContact CG2-CE1 4.31Å; V340-F416 HydrophobicContact CG1-CE1 3.7Å; V340-F416 HydrophobicContact CG1-CZ 4.07Å; V340-L425 HydrophobicContact CG1-CD1 4.08Å; V340-L425 HydrophobicContact CG2-CD1 4.29Å; V340-L425 HydrophobicContact CG2-CD2 4.01Å
341	C	91.6	Very high	88.7	Confident	48 Å²	48	27.4 Å²	27.4	32%	0.324	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	28.9	173.8	-56.7	0	0	0	0	112.8	T339 H421 Q423 C424	T339-C341 PolarHBondContact O-N 3.5Å; C341-H421 PolarHBondContact SG-O 3.45Å; C341-H421 VanDerWaalsContact SG-O 3.34Å; C341-Q423 PolarHBondContact SG-N 3.1Å; C341-Q423 VanDerWaalsContact SG-N 3.35Å; C341-C424 VanDerWaalsContact CA-SG 3.53Å; C341-C424 HydrophobicContact CB-CB 3.99Å; C341-C424 WeakPolarHBondContact CB-SG 3.29Å; C341-C424 WeakPolarHBondContact SG-CB 3.13Å; C341-C424 PolarHBondContact SG-N 3.1Å; C341-C424 CovalentContact SG-SG 2.04Å; C341-C424 PolarHBondContact SG-SG 2.92Å
342	D	89.6	Confident	89.5	Confident	59 Å²	59	27.1 Å²	27.1	32%	0.316	15%	0.148	S	C	.	.			trans	-108.2	102	170	-175.8	-19	0	0	0	109.1	T339 E344 R345 S346	T339-D342 WeakPolarHBondContact O-CB 3.42Å; T339-D342 PolarHBondContact O-N 2.7Å; D342-E344 PolarHBondContact O-N 2.97Å; D342-E344 WeakPolarHBondContact OD1-CB 3.21Å; D342-E344 PolarHBondContact OD1-N 3.13Å; D342-R345 HydrophobicContact CB-CB 4.38Å; D342-R345 PolarHBondContact O-N 2.87Å; D342-S346 VanDerWaalsContact O-CB 3.26Å; D342-S346 WeakPolarHBondContact O-CB 3.47Å; D342-S346 PolarHBondContact O-N 2.68Å
343	P	87.1	Confident	89.5	Confident	76 Å²	76	27.1 Å²	27.1	49%	0.494	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.7	-178.5	-25.2	35.6	0	0	0	115.3	Q298	Q298-P343 PolarHBondContact NE2-O 3.06Å; Q298-P343 VanDerWaalsContact NE2-O 3.14Å
344	E	84.8	Confident	89.6	Confident	103 Å²	103	27.1 Å²	27.1	48%	0.481	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-21.6	175.2	-48.7	-157	177.9	0	0	113	R299 D342	R299-E344 VanDerWaalsContact CZ-CD 3.41Å; R299-E344 IonicContact CZ-OE1 3.64Å; R299-E344 IonicContact CZ-OE2 2.73Å; R299-E344 IonicContact NH1-OE1 2.76Å; R299-E344 PolarHBondContact NH1-OE1 3.07Å; R299-E344 IonicContact NH1-OE2 3.11Å; R299-E344 PolarHBondContact NH1-OE2 3.41Å; R299-E344 IonicContact NH2-OE1 3.17Å; R299-E344 PolarHBondContact NH2-OE1 2.04Å; D342-E344 PolarHBondContact O-N 2.97Å; D342-E344 WeakPolarHBondContact OD1-CB 3.21Å; D342-E344 PolarHBondContact OD1-N 3.13Å
345	R	84.7	Confident	89.5	Confident	96 Å²	96	27.4 Å²	27.4	36%	0.362	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	3.2	-171.4	-59.5	-177.6	71.9	174.2	4.3	115.6	D336 T339 D342 C347	D336-R345 HydrophobicContact CB-CB 4.46Å; D336-R345 IonicContact OD1-CZ 2.7Å; D336-R345 IonicContact OD1-NE 3.97Å; D336-R345 IonicContact OD1-NH2 3.65Å; D336-R345 PolarHBondContact OD1-NH2 2.76Å; D336-R345 IonicContact OD2-CZ 2.76Å; D336-R345 IonicContact OD2-NE 2.68Å; D336-R345 PolarHBondContact OD2-NE 2.99Å; D336-R345 IonicContact OD2-NH2 2.62Å; D336-R345 PolarHBondContact OD2-NH2 2.74Å; T339-R345 VanDerWaalsContact CB-O 3.27Å; T339-R345 WeakPolarHBondContact CB-O 3.43Å; T339-R345 HydrophobicContact CG2-CB 3.59Å; T339-R345 PolarHBondContact OG1-O 3.14Å; D342-R345 HydrophobicContact CB-CB 4.38Å; D342-R345 PolarHBondContact O-N 2.87Å; R345-C347 VanDerWaalsContact C-N 3.32Å; R345-C347 PolarHBondContact O-N 2.84Å; R345-C347 PolarHBondContact O-SG 2.94Å
346	S	94.6	Very high	89.3	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.151	C	C	.	.			trans	-81	79	175.6	-166	0	0	0	0	110.7	D313 T314 A315 T339 V340 D342	D313-S346 WeakPolarHBondContact O-CB 3.36Å; D313-S346 PolarHBondContact O-OG 2.91Å; T314-S346 WeakPolarHBondContact CA-OG 3.47Å; T314-S346 WeakPolarHBondContact CB-OG 3.44Å; T314-S346 PolarHBondContact OG1-O 2.81Å; T314-S346 PolarHBondContact OG1-OG 2.92Å; A315-S346 PolarHBondContact N-O 2.9Å; T339-S346 VanDerWaalsContact O-CB 3.3Å; T339-S346 WeakPolarHBondContact O-CB 3.22Å; V340-S346 PolarHBondContact O-OG 2.84Å; D342-S346 VanDerWaalsContact O-CB 3.26Å; D342-S346 WeakPolarHBondContact O-CB 3.47Å; D342-S346 PolarHBondContact O-N 2.68Å
347	C	93.7	Very high	89.8	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	145.2	-170.1	37.4	0	0	0	0	110.9	L291 F294 C295 A315 R345	L291-C347 HydrophobicContact CD1-CB 4.24Å; F294-C347 HydrophobicContact CD1-CB 4.17Å; F294-C347 HydrophobicContact CE1-CB 4.3Å; C295-C347 HydrophobicContact CB-CB 4.03Å; C295-C347 WeakPolarHBondContact CB-SG 3.35Å; C295-C347 WeakPolarHBondContact SG-CB 3.36Å; C295-C347 CovalentContact SG-SG 2.02Å; C295-C347 PolarHBondContact SG-SG 3.12Å; A315-C347 WeakPolarHBondContact O-CA 3.3Å; R345-C347 VanDerWaalsContact C-N 3.32Å; R345-C347 PolarHBondContact O-N 2.84Å; R345-C347 PolarHBondContact O-SG 2.94Å
348	S	96.6	Very high	90.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.5	167.5	63.3	0	0	0	0	112	F294 A315 L317 M334	F294-S348 VanDerWaalsContact CE1-O 3.31Å; F294-S348 WeakPolarHBondContact CE1-O 3.34Å; A315-S348 PolarHBondContact O-N 3Å; L317-S348 PolarHBondContact N-O 2.9Å; M334-S348 WeakPolarHBondContact O-CA 3.28Å
349	I	96.3	Very high	90.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.8	171.6	67.9	170.8	0	0	0	109.7	A287 T290 L291 F294 L317 L323 G333 M334	A287-I349 HydrophobicContact CB-CD1 4.16Å; A287-I349 WeakPolarHBondContact O-CD1 3.46Å; T290-I349 HydrophobicContact CG2-CD1 3.83Å; T290-I349 HydrophobicContact CG2-CG2 4.33Å; L291-I349 HydrophobicContact CB-CD1 4.1Å; L291-I349 HydrophobicContact CB-CG1 4.32Å; L291-I349 HydrophobicContact CB-CG2 4.17Å; L291-I349 HydrophobicContact CD1-CG2 3.99Å; F294-I349 HydrophobicContact CB-CG2 4.22Å; F294-I349 HydrophobicContact CD1-CG2 4Å; F294-I349 HydrophobicContact CG-CG2 4.42Å; L317-I349 HydrophobicContact CB-CG2 4.14Å; L317-I349 HydrophobicContact CD2-CG2 4.22Å; L323-I349 HydrophobicContact CD1-CD1 3.82Å; L323-I349 HydrophobicContact CD1-CG1 4.06Å; L323-I349 HydrophobicContact CD2-CD1 4.21Å; G333-I349 VanDerWaalsContact CA-O 3.31Å; G333-I349 WeakPolarHBondContact CA-O 3.4Å; M334-I349 HydrophobicContact CB-CD1 4.35Å; M334-I349 HydrophobicContact CB-CG1 4.01Å; M334-I349 PolarHBondContact N-O 2.87Å; M334-I349 VanDerWaalsContact N-O 3.12Å; M334-I349 PolarHBondContact O-N 3.1Å
350	I	95.9	Very high	90.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.2	-174.1	-56.5	-67.7	0	0	0	108.9	I316 L317 F318 T319 A357 T360 V361 E364	I316-I350 HydrophobicContact CG2-CG1 3.68Å; L317-I350 PolarHBondContact O-N 3.42Å; F318-I350 WeakPolarHBondContact CA-O 3.47Å; F318-I350 HydrophobicContact CD1-CB 4.04Å; F318-I350 HydrophobicContact CD1-CG2 3.92Å; F318-I350 HydrophobicContact CE1-CB 4.18Å; F318-I350 HydrophobicContact CE1-CG1 4.45Å; F318-I350 HydrophobicContact CE1-CG2 3.94Å; T319-I350 PolarHBondContact N-O 3.48Å; T319-I350 VanDerWaalsContact N-O 3.08Å; I350-A357 HydrophobicContact CG2-CB 4.22Å; I350-T360 HydrophobicContact CD1-CG2 3.83Å; I350-T360 HydrophobicContact CG2-CG2 4.38Å; I350-V361 HydrophobicContact CD1-CG2 4.07Å; I350-V361 HydrophobicContact CG1-CG2 3.89Å; I350-V361 HydrophobicContact CG2-CG2 4.35Å; I350-E364 HydrophobicContact CD1-CB 4.01Å; I350-E364 HydrophobicContact CD1-CG 3.51Å
351	E	93.9	Very high	90.4	Very high	29 Å²	29	22.7 Å²	22.7	14%	0.136	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124	160.6	-171.7	-178.2	121.6	0	0	108.6	D322 L323 L332 D353	D322-E351 WeakPolarHBondContact CA-OE2 3.26Å; L323-E351 HydrophobicContact CD1-CB 4.12Å; L323-E351 HydrophobicContact CG-CB 4.29Å; L323-E351 PolarHBondContact N-OE2 3.1Å; L332-E351 HydrophobicContact CD2-CB 4.3Å; L332-E351 HydrophobicContact CD2-CG 4.48Å; L332-E351 WeakPolarHBondContact O-CB 3.32Å; L332-E351 PolarHBondContact O-N 2.83Å; E351-D353 PolarHBondContact O-N 3.44Å
352	D	92.3	Very high	90.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.			trans	-80.7	110.8	176.2	178.3	44	0	0	0	110.6	M232 H236 Y243 T319 R320	M232-D352 HydrophobicContact CE-CB 3.8Å; M232-D352 WeakPolarHBondContact CE-OD2 3.37Å; M232-D352 HydrophobicContact SD-CB 3.37Å; M232-D352 WeakPolarHBondContact SD-CB 3.4Å; H236-D352 IonicContact CD2-OD2 3.69Å; H236-D352 IonicContact CE1-OD2 3.19Å; H236-D352 IonicContact NE2-OD2 3.9Å; H236-D352 PolarHBondContact NE2-OD2 2.87Å; Y243-D352 VanDerWaalsContact CE1-OD1 3.31Å; Y243-D352 WeakPolarHBondContact CE1-OD1 3.38Å; Y243-D352 PolarHBondContact OH-OD1 2.85Å; Y243-D352 PolarHBondContact OH-OD2 3.25Å; T319-D352 PolarHBondContact O-N 2.6Å; R320-D352 WeakPolarHBondContact CD-O 3.38Å; R320-D352 HydrophobicContact CG-CB 4.43Å; R320-D352 PolarHBondContact NH1-O 2.94Å
353	D	84.4	Confident	90.7	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	9%	0.085	C	C	.	.			trans	-109.7	10.1	-178.1	-167.1	23.6	0	0	0	113	L332 E351 Q356 T453 K487	L332-D353 HydrophobicContact CD2-CB 4.17Å; E351-D353 PolarHBondContact O-N 3.44Å; D353-Q356 HydrophobicContact CB-CG 4.22Å; D353-Q356 PolarHBondContact O-NE2 3.47Å; D353-Q356 PolarHBondContact O-OE1 3.4Å; D353-Q356 PolarHBondContact OD2-NE2 3.39Å; D353-T453 VanDerWaalsContact O-CA 3.25Å; D353-T453 WeakPolarHBondContact O-CA 3.34Å; D353-T453 WeakPolarHBondContact O-CB 3.21Å; D353-T453 WeakPolarHBondContact O-CG2 3.21Å; D353-T453 PolarHBondContact O-OG1 3.39Å; D353-K487 IonicContact OD1-NZ 2.61Å; D353-K487 PolarHBondContact OD1-NZ 3.02Å; D353-K487 WeakPolarHBondContact OD2-CD 3.2Å; D353-K487 IonicContact OD2-NZ 2.64Å; D353-K487 PolarHBondContact OD2-NZ 3.05Å
354	G	88	Confident	91.1	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	104.5	-167.5	-165	0	0	0	0	0	111.9	Y243 Q356 A357	Y243-G354 WeakPolarHBondContact OH-CA 3.3Å; Y243-G354 PolarHBondContact OH-N 3.31Å; Y243-G354 PolarHBondContact OH-O 3.02Å; Y243-G354 VanDerWaalsContact OH-O 3.11Å; G354-Q356 VanDerWaalsContact C-OE1 3.32Å; G354-Q356 PolarHBondContact O-N 2.89Å; G354-A357 VanDerWaalsContact O-CB 3.25Å; G354-A357 WeakPolarHBondContact O-CB 3.47Å; G354-A357 PolarHBondContact O-N 2.04Å
355	L	86.5	Confident	91.7	Very high	25 Å²	25	9.1 Å²	9.1	13%	0.131	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.4	-172.8	-65.3	-177.2	0	0	0	114.1	Y243 T246 A357 A358 P440 Y444 Q449 L452 A492	Y243-L355 HydrophobicContact CD2-CD2 4.09Å; Y243-L355 HydrophobicContact CE2-CD2 3.73Å; T246-L355 HydrophobicContact CG2-CD2 4.28Å; L355-A357 PolarHBondContact O-N 3.25Å; L355-A358 WeakPolarHBondContact O-CB 3.31Å; L355-A358 PolarHBondContact O-N 2.03Å; L355-P440 HydrophobicContact CD1-CB 4.19Å; L355-Y444 HydrophobicContact CD1-CD2 4.05Å; L355-Y444 HydrophobicContact CD1-CG 4.15Å; L355-Y444 HydrophobicContact CD2-CD2 4.19Å; L355-Y444 HydrophobicContact CD2-CE2 4.28Å; L355-Q449 HydrophobicContact CD1-CG 3.97Å; L355-L452 HydrophobicContact CG-CD1 4.28Å; L355-A492 HydrophobicContact CD1-CB 4.03Å
356	Q	84	Confident	92.1	Very high	14 Å²	14	4.5 Å²	4.5	7%	0.065	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.7	173.1	70.5	-88.4	33.1	0	0	114	D353 G354 A358 F359 T360 T453 F489	D353-Q356 HydrophobicContact CB-CG 4.22Å; D353-Q356 PolarHBondContact O-NE2 3.47Å; D353-Q356 PolarHBondContact O-OE1 3.4Å; D353-Q356 PolarHBondContact OD2-NE2 3.39Å; G354-Q356 VanDerWaalsContact C-OE1 3.32Å; G354-Q356 PolarHBondContact O-N 2.89Å; Q356-A358 PolarHBondContact O-N 2.96Å; Q356-F359 HydrophobicContact CB-CD2 4.09Å; Q356-F359 WeakPolarHBondContact O-CB 3.48Å; Q356-F359 PolarHBondContact O-N 2.96Å; Q356-T360 PolarHBondContact O-N 2.95Å; Q356-T453 PolarHBondContact NE2-OG1 2.86Å; Q356-T453 PolarHBondContact OE1-OG1 3.28Å; Q356-F489 HydrophobicContact CB-CD1 4.01Å; Q356-F489 HydrophobicContact CB-CD2 3.78Å; Q356-F489 HydrophobicContact CB-CE1 4.16Å; Q356-F489 HydrophobicContact CB-CE2 3.94Å; Q356-F489 HydrophobicContact CB-CG 3.83Å; Q356-F489 HydrophobicContact CB-CZ 4.14Å; Q356-F489 HydrophobicContact CG-CD2 3.74Å; Q356-F489 HydrophobicContact CG-CE2 3.65Å; Q356-F489 HydrophobicContact CG-CG 4.33Å; Q356-F489 HydrophobicContact CG-CZ 4.15Å
357	A	89.8	Confident	91.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-57.2	-20.1	171.5	0	0	0	0	0	112.5	I247 I350 G354 L355 F359 T360 V361	I247-A357 HydrophobicContact CD1-CB 4.02Å; I350-A357 HydrophobicContact CG2-CB 4.22Å; G354-A357 VanDerWaalsContact O-CB 3.25Å; G354-A357 WeakPolarHBondContact O-CB 3.47Å; G354-A357 PolarHBondContact O-N 2.04Å; L355-A357 PolarHBondContact O-N 3.25Å; A357-F359 VanDerWaalsContact C-N 3.31Å; A357-F359 PolarHBondContact O-N 2.74Å; A357-T360 PolarHBondContact O-N 3.17Å; A357-V361 WeakPolarHBondContact O-CB 3.48Å; A357-V361 VanDerWaalsContact O-CG2 3.27Å; A357-V361 WeakPolarHBondContact O-CG2 3.39Å; A357-V361 PolarHBondContact O-N 3.46Å
358	A	89.8	Confident	91.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-64.9	-29.6	169.9	0	0	0	0	0	114.5	I247 V250 L355 Q356 A362	I247-A358 HydrophobicContact CB-CB 4.41Å; I247-A358 HydrophobicContact CG2-CB 4.13Å; I247-A358 WeakPolarHBondContact O-CB 3.22Å; V250-A358 HydrophobicContact CB-CB 3.62Å; V250-A358 HydrophobicContact CG1-CB 3.58Å; L355-A358 WeakPolarHBondContact O-CB 3.31Å; L355-A358 PolarHBondContact O-N 2.03Å; Q356-A358 PolarHBondContact O-N 2.96Å; A358-A362 WeakPolarHBondContact O-CB 3.07Å; A358-A362 PolarHBondContact O-N 2.91Å
359	F	89.1	Confident	91.9	Very high	22 Å²	22	4.6 Å²	4.6	10%	0.096	2%	0.022	C	C	.	.	H	α-helix	trans	-75.1	-42.4	172.4	-62	-67.3	0	0	0	110.1	L254 Q356 A357 V361 A362 H363 M391 L396 L399 F489	L254-F359 HydrophobicContact CD1-CD1 3.59Å; L254-F359 HydrophobicContact CD1-CE1 3.87Å; L254-F359 HydrophobicContact CD2-CE1 4.27Å; Q356-F359 HydrophobicContact CB-CD2 4.09Å; Q356-F359 WeakPolarHBondContact O-CB 3.48Å; Q356-F359 PolarHBondContact O-N 2.96Å; A357-F359 VanDerWaalsContact C-N 3.31Å; A357-F359 PolarHBondContact O-N 2.74Å; F359-V361 PolarHBondContact O-N 2.71Å; F359-A362 WeakPolarHBondContact O-CB 3.07Å; F359-A362 PolarHBondContact O-N 3.43Å; F359-A362 VanDerWaalsContact O-N 3.09Å; F359-H363 PolarHBondContact O-N 2.76Å; F359-M391 HydrophobicContact CB-CE 3.8Å; F359-M391 HydrophobicContact CD1-CE 4.27Å; F359-M391 HydrophobicContact CD1-SD 4.46Å; F359-M391 WeakPolarHBondContact O-CE 3.25Å; F359-L396 HydrophobicContact CB-CD2 3.83Å; F359-L399 HydrophobicContact CD1-CD2 3.47Å; F359-L399 VanDerWaalsContact CD1-CD2 3.47Å; F359-L399 HydrophobicContact CE1-CD2 3.58Å; F359-L399 HydrophobicContact CG-CD2 4.4Å; F359-F489 HydrophobicContact CD2-CD1 4.38Å
360	T	91.1	Very high	91.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.6	-47.3	172.6	-39	0	0	0	0	111.6	L332 I350 Q356 A357 A362 H363 E364	L332-T360 HydrophobicContact CB-CG2 3.81Å; L332-T360 WeakPolarHBondContact O-CG2 3.19Å; I350-T360 HydrophobicContact CD1-CG2 3.83Å; I350-T360 HydrophobicContact CG2-CG2 4.38Å; Q356-T360 PolarHBondContact O-N 2.95Å; A357-T360 PolarHBondContact O-N 3.17Å; T360-A362 VanDerWaalsContact C-N 3.25Å; T360-A362 PolarHBondContact O-N 2.87Å; T360-H363 WeakPolarHBondContact O-CB 3.38Å; T360-H363 PolarHBondContact O-N 3.49Å; T360-H363 VanDerWaalsContact O-N 3.14Å; T360-E364 HydrophobicContact CG2-CG 4.47Å; T360-E364 WeakPolarHBondContact O-CG 3.33Å; T360-E364 PolarHBondContact O-N 3.05Å
361	V	95.1	Very high	91.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-54.1	-42.7	172.5	163.8	0	0	0	0	111.5	I247 M248 A251 I316 F318 I350 A357 F359 L365	I247-V361 HydrophobicContact CG2-CG2 3.96Å; M248-V361 HydrophobicContact CE-CG1 4.1Å; M248-V361 HydrophobicContact SD-CG1 3.81Å; A251-V361 HydrophobicContact CB-CB 4.37Å; A251-V361 HydrophobicContact CB-CG1 3.68Å; I316-V361 HydrophobicContact CD1-CG1 4.06Å; F318-V361 HydrophobicContact CE1-CG2 3.67Å; F318-V361 HydrophobicContact CZ-CG2 3.56Å; I350-V361 HydrophobicContact CD1-CG2 4.07Å; I350-V361 HydrophobicContact CG1-CG2 3.89Å; I350-V361 HydrophobicContact CG2-CG2 4.35Å; A357-V361 WeakPolarHBondContact O-CB 3.48Å; A357-V361 VanDerWaalsContact O-CG2 3.27Å; A357-V361 WeakPolarHBondContact O-CG2 3.39Å; A357-V361 PolarHBondContact O-N 3.46Å; F359-V361 PolarHBondContact O-N 2.71Å; V361-L365 HydrophobicContact CG1-CD1 4.05Å; V361-L365 WeakPolarHBondContact O-CB 3.42Å; V361-L365 VanDerWaalsContact O-CG 3.24Å; V361-L365 WeakPolarHBondContact O-CG 3.47Å; V361-L365 PolarHBondContact O-N 3.29Å; V361-L365 VanDerWaalsContact O-N 3.09Å
362	A	94.2	Very high	91.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.7	-38.1	-179.7	0	0	0	0	0	112.6	L254 Y255 A358 F359 T360 G366 M391	L254-A362 HydrophobicContact CB-CB 4.45Å; L254-A362 HydrophobicContact CD1-CB 3.8Å; Y255-A362 HydrophobicContact CE2-CB 4.12Å; Y255-A362 PolarHBondContact OH-O 3.21Å; A358-A362 WeakPolarHBondContact O-CB 3.07Å; A358-A362 PolarHBondContact O-N 2.91Å; F359-A362 WeakPolarHBondContact O-CB 3.07Å; F359-A362 PolarHBondContact O-N 3.43Å; F359-A362 VanDerWaalsContact O-N 3.09Å; T360-A362 VanDerWaalsContact C-N 3.25Å; T360-A362 PolarHBondContact O-N 2.87Å; A362-G366 PolarHBondContact O-N 2.89Å; A362-G366 VanDerWaalsContact O-N 3.16Å; A362-M391 HydrophobicContact CB-CG 4.25Å; A362-M391 HydrophobicContact CB-SD 3.63Å
363	H	93	Very high	91	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64	-52.6	174.4	-175.4	107.6	0	0	0	112.1	C180 F359 T360 L365 G366 H367 H373 M391 M392 A393	C180-H363 WeakPolarHBondContact CB-NE2 3.14Å; F359-H363 PolarHBondContact O-N 2.76Å; T360-H363 WeakPolarHBondContact O-CB 3.38Å; T360-H363 PolarHBondContact O-N 3.49Å; T360-H363 VanDerWaalsContact O-N 3.14Å; H363-L365 PolarHBondContact O-N 3.35Å; H363-G366 WeakPolarHBondContact O-CA 3.31Å; H363-G366 PolarHBondContact O-N 2.88Å; H363-H367 AromaticContact CD2-CD2 3.65Å; H363-H367 AromaticContact CD2-NE2 3.45Å; H363-H367 PolarHBondContact CD2-NE2 3.02Å; H363-H367 AromaticContact NE2-CD2 3.75Å; H363-H367 AromaticContact NE2-NE2 3.03Å; H363-H367 PolarHBondContact NE2-NE2 3.17Å; H363-H367 PolarHBondContact O-N 3.47Å; H363-H373 AromaticContact CE1-CD2 3.57Å; H363-H373 AromaticContact CE1-NE2 3.67Å; H363-H373 AromaticContact NE2-CD2 3.48Å; H363-H373 PolarHBondContact NE2-CD2 2.75Å; H363-H373 AromaticContact NE2-NE2 3.21Å; H363-H373 PolarHBondContact NE2-NE2 3.07Å; H363-M391 HydrophobicContact CB-CE 4.48Å; H363-M391 PolarHBondContact ND1-O 2.8Å; H363-M392 WeakPolarHBondContact O-CE 3.46Å; H363-A393 PolarHBondContact CE1-O 3.01Å
364	E	95.1	Very high	91.2	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-65.4	-37	-178.9	-63.4	-45.4	137	0	0	112.6	G333 M334 A335 I350 T360 G366 H367 V368	G333-E364 VanDerWaalsContact C-CD 3.49Å; G333-E364 VanDerWaalsContact C-OE1 3.29Å; M334-E364 VanDerWaalsContact CA-OE2 3.26Å; M334-E364 WeakPolarHBondContact CA-OE2 3.28Å; M334-E364 PolarHBondContact N-OE2 3.21Å; A335-E364 HydrophobicContact CB-CB 4.11Å; A335-E364 WeakPolarHBondContact CB-OE2 3.48Å; A335-E364 PolarHBondContact N-OE2 2.84Å; I350-E364 HydrophobicContact CD1-CB 4.01Å; I350-E364 HydrophobicContact CD1-CG 3.51Å; T360-E364 HydrophobicContact CG2-CG 4.47Å; T360-E364 WeakPolarHBondContact O-CG 3.33Å; T360-E364 PolarHBondContact O-N 3.05Å; E364-G366 PolarHBondContact O-N 3.03Å; E364-H367 PolarHBondContact O-N 3.27Å; E364-H367 IonicContact OE2-CD2 3.87Å; E364-V368 WeakPolarHBondContact O-CG2 3.36Å; E364-V368 PolarHBondContact O-N 2.91Å; E364-V368 VanDerWaalsContact O-N 3.11Å
365	L	96.6	Very high	91	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.4	-28.2	169.1	-71.7	178.4	0	0	0	111.9	L222 I224 Y255 L266 T314 I316 V361 H363 V368 F369	L222-L365 HydrophobicContact CD2-CD1 4.27Å; L222-L365 HydrophobicContact CD2-CD2 3.93Å; I224-L365 HydrophobicContact CD1-CD1 4.33Å; Y255-L365 HydrophobicContact CE2-CB 4.08Å; Y255-L365 HydrophobicContact CE2-CD1 4.42Å; Y255-L365 WeakPolarHBondContact OH-CB 3.29Å; L266-L365 HydrophobicContact CD1-CD1 4Å; L266-L365 HydrophobicContact CD2-CD1 4.34Å; T314-L365 HydrophobicContact CG2-CD2 4Å; I316-L365 HydrophobicContact CD1-CD1 4.25Å; I316-L365 HydrophobicContact CD1-CD2 4.19Å; I316-L365 HydrophobicContact CD1-CG 4.34Å; V361-L365 HydrophobicContact CG1-CD1 4.05Å; V361-L365 WeakPolarHBondContact O-CB 3.42Å; V361-L365 VanDerWaalsContact O-CG 3.24Å; V361-L365 WeakPolarHBondContact O-CG 3.47Å; V361-L365 PolarHBondContact O-N 3.29Å; V361-L365 VanDerWaalsContact O-N 3.09Å; H363-L365 PolarHBondContact O-N 3.35Å; L365-V368 PolarHBondContact O-N 2.75Å; L365-F369 WeakPolarHBondContact O-CB 3.42Å; L365-F369 WeakPolarHBondContact O-CD2 3.4Å; L365-F369 PolarHBondContact O-N 3.46Å
366	G	94.9	Very high	90.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.9	-44.8	174.4	0	0	0	0	0	112.1	Y255 A362 H363 E364 F369 N370 M371	Y255-G366 WeakPolarHBondContact OH-CA 3.23Å; Y255-G366 PolarHBondContact OH-N 2.79Å; A362-G366 PolarHBondContact O-N 2.89Å; A362-G366 VanDerWaalsContact O-N 3.16Å; H363-G366 WeakPolarHBondContact O-CA 3.31Å; H363-G366 PolarHBondContact O-N 2.88Å; E364-G366 PolarHBondContact O-N 3.03Å; G366-F369 CarbonylContact O-C 3.52Å; G366-F369 WeakPolarHBondContact O-CA 3.14Å; G366-F369 WeakPolarHBondContact O-CB 3.47Å; G366-F369 PolarHBondContact O-N 3.43Å; G366-F369 VanDerWaalsContact O-N 3.13Å; G366-N370 PolarHBondContact O-N 3.19Å; G366-M371 WeakPolarHBondContact O-CB 3.27Å; G366-M371 WeakPolarHBondContact O-CG 3.32Å; G366-M371 PolarHBondContact O-N 3.03Å
367	H	89.3	Confident	90.7	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.014	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-50.2	170.6	-72.2	-55.5	0	0	0	111	A335 D336 V337 G338 H363 E364 F369 N370 M371 H373	A335-H367 HydrophobicContact CB-CB 4.2Å; D336-H367 CarbonylContact O-C 3.51Å; V337-H367 CarbonylContact C-O 3.22Å; V337-H367 VanDerWaalsContact CA-O 3.3Å; V337-H367 WeakPolarHBondContact CA-O 3.48Å; V337-H367 HydrophobicContact CG2-CB 4.32Å; G338-H367 PolarHBondContact N-O 3.1Å; H363-H367 AromaticContact CD2-CD2 3.65Å; H363-H367 AromaticContact CD2-NE2 3.45Å; H363-H367 PolarHBondContact CD2-NE2 3.02Å; H363-H367 AromaticContact NE2-CD2 3.75Å; H363-H367 AromaticContact NE2-NE2 3.03Å; H363-H367 PolarHBondContact NE2-NE2 3.17Å; H363-H367 PolarHBondContact O-N 3.47Å; E364-H367 PolarHBondContact O-N 3.27Å; E364-H367 IonicContact OE2-CD2 3.87Å; H367-F369 PolarHBondContact O-N 3.08Å; H367-F369 VanDerWaalsContact O-N 3.12Å; H367-N370 WeakPolarHBondContact O-CA 3.42Å; H367-N370 PolarHBondContact O-N 2.71Å; H367-M371 PolarHBondContact ND1-O 3.16Å; H367-H373 AromaticContact CE1-CD2 3.36Å; H367-H373 PolarHBondContact CE1-CD2 2.63Å; H367-H373 AromaticContact CE1-NE2 3.38Å; H367-H373 PolarHBondContact CE1-NE2 2.85Å; H367-H373 AromaticContact NE2-CD2 3.52Å; H367-H373 AromaticContact NE2-NE2 3.2Å; H367-H373 PolarHBondContact NE2-NE2 2.95Å; H367-H373 VanDerWaalsContact NE2-NE2 3.2Å
368	V	94.8	Very high	90.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.6	-32.4	176.1	175.7	0	0	0	0	112	A335 G338 T339 V340 E364 L365 N370	A335-V368 HydrophobicContact CB-CG2 3.86Å; G338-V368 CarbonylContact C-O 3.56Å; G338-V368 VanDerWaalsContact C-O 3.32Å; G338-V368 VanDerWaalsContact CA-O 3.3Å; G338-V368 WeakPolarHBondContact CA-O 3.37Å; T339-V368 PolarHBondContact N-O 2.04Å; V340-V368 HydrophobicContact CB-CG1 3.67Å; V340-V368 HydrophobicContact CG2-CG1 3.81Å; V340-V368 PolarHBondContact N-O 3.34Å; E364-V368 WeakPolarHBondContact O-CG2 3.36Å; E364-V368 PolarHBondContact O-N 2.91Å; E364-V368 VanDerWaalsContact O-N 3.11Å; L365-V368 PolarHBondContact O-N 2.75Å; V368-N370 VanDerWaalsContact C-N 3.33Å; V368-N370 PolarHBondContact O-N 2.93Å
369	F	95.1	Very high	90	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	6.6	173.4	-86.2	-60.7	0	0	0	116.2	L222 Y255 I264 V340 L365 G366 H367 M371 I413 F416 L425	L222-F369 HydrophobicContact CD1-CZ 4.38Å; L222-F369 HydrophobicContact CD2-CE2 3.97Å; L222-F369 HydrophobicContact CD2-CZ 4.13Å; Y255-F369 HydrophobicContact CD1-CE2 4.21Å; Y255-F369 AromaticContact CE1-CD2 3.59Å; Y255-F369 HydrophobicContact CE1-CD2 3.59Å; Y255-F369 AromaticContact CE1-CE2 3.52Å; Y255-F369 HydrophobicContact CE1-CE2 3.52Å; Y255-F369 AromaticContact CZ-CD2 3.98Å; I264-F369 HydrophobicContact CD1-CZ 4.39Å; I264-F369 HydrophobicContact CG2-CE2 4.33Å; I264-F369 HydrophobicContact CG2-CZ 3.99Å; V340-F369 HydrophobicContact CG2-CE1 4.31Å; L365-F369 WeakPolarHBondContact O-CB 3.42Å; L365-F369 WeakPolarHBondContact O-CD2 3.4Å; L365-F369 PolarHBondContact O-N 3.46Å; G366-F369 CarbonylContact O-C 3.52Å; G366-F369 WeakPolarHBondContact O-CA 3.14Å; G366-F369 WeakPolarHBondContact O-CB 3.47Å; G366-F369 PolarHBondContact O-N 3.43Å; G366-F369 VanDerWaalsContact O-N 3.13Å; H367-F369 PolarHBondContact O-N 3.08Å; H367-F369 VanDerWaalsContact O-N 3.12Å; F369-M371 HydrophobicContact CB-CE 4.25Å; F369-I413 HydrophobicContact CB-CD1 3.68Å; F369-I413 HydrophobicContact CB-CG1 4.05Å; F369-I413 HydrophobicContact CD1-CD1 3.52Å; F369-I413 HydrophobicContact CD1-CG1 4Å; F369-I413 HydrophobicContact CD2-CD1 3.97Å; F369-I413 HydrophobicContact CE1-CD1 4.08Å; F369-I413 HydrophobicContact CE2-CD1 4.5Å; F369-I413 HydrophobicContact CG-CD1 3.47Å; F369-I413 VanDerWaalsContact CG-CD1 3.47Å; F369-I413 HydrophobicContact CG-CG1 4.18Å; F369-F416 WeakPolarHBondContact O-CD1 3.38Å; F369-L425 HydrophobicContact CE1-CD1 3.56Å; F369-L425 HydrophobicContact CZ-CD1 4.24Å
370	N	89.8	Confident	89.6	Confident	54 Å²	54	24.6 Å²	24.6	29%	0.289	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	30.6	-176.5	-151.1	117.8	0	0	0	114	G366 H367 V368 F416	G366-N370 PolarHBondContact O-N 3.19Å; H367-N370 WeakPolarHBondContact O-CA 3.42Å; H367-N370 PolarHBondContact O-N 2.71Å; V368-N370 VanDerWaalsContact C-N 3.33Å; V368-N370 PolarHBondContact O-N 2.93Å; N370-F416 HydrophobicContact CB-CB 4.22Å; N370-F416 HydrophobicContact CB-CD1 4.46Å; N370-F416 HydrophobicContact CB-CD2 3.34Å; N370-F416 HydrophobicContact CB-CE2 3.65Å; N370-F416 HydrophobicContact CB-CG 3.79Å; N370-F416 HydrophobicContact CB-CZ 4.33Å
371	M	92.1	Very high	88.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.175	C	C	.	.			trans	-87.5	121.9	164.4	-51.5	-171.2	-142.9	0	0	109.1	Y255 I260 G366 H367 F369 M392 W405 S409 I413	Y255-M371 HydrophobicContact CE1-CE 4.4Å; I260-M371 HydrophobicContact CD1-CE 3.97Å; I260-M371 HydrophobicContact CG1-CE 4.3Å; G366-M371 WeakPolarHBondContact O-CB 3.27Å; G366-M371 WeakPolarHBondContact O-CG 3.32Å; G366-M371 PolarHBondContact O-N 3.03Å; H367-M371 PolarHBondContact ND1-O 3.16Å; F369-M371 HydrophobicContact CB-CE 4.25Å; M371-M392 HydrophobicContact CB-CE 4.26Å; M371-M392 HydrophobicContact CB-CG 4Å; M371-M392 HydrophobicContact CB-SD 4.33Å; M371-M392 HydrophobicContact SD-CG 4.07Å; M371-M392 HydrophobicContact SD-SD 4.45Å; M371-W405 HydrophobicContact CE-CE3 3.95Å; M371-W405 HydrophobicContact CE-CH2 4.07Å; M371-W405 HydrophobicContact CE-CZ3 3.56Å; M371-W405 HydrophobicContact SD-CE3 3.71Å; M371-W405 HydrophobicContact SD-CZ3 3.54Å; M371-W405 VanDerWaalsContact SD-CZ3 3.54Å; M371-S409 VanDerWaalsContact SD-CB 3.6Å; M371-I413 HydrophobicContact CE-CB 3.99Å; M371-I413 HydrophobicContact CE-CD1 3.66Å; M371-I413 HydrophobicContact CE-CG1 4.36Å; M371-I413 HydrophobicContact CE-CG2 4.1Å; M371-I413 HydrophobicContact CG-CB 4.26Å
372	P	88.1	Confident	88.2	Confident	27 Å²	27	31 Å²	31	18%	0.175	19%	0.192	C	C	.	.			trans	-77.3	174.4	167.8	35.8	-35.4	0	0	0	110.3	A376 M412	P372-A376 HydrophobicContact CB-CB 4.15Å; P372-M412 HydrophobicContact CG-CE 4.31Å; P372-M412 HydrophobicContact CG-CG 4.46Å
373	H	90.1	Very high	87.7	Confident	27 Å²	27	31.9 Å²	31.9	13%	0.125	20%	0.197	C	C	.	.			trans	-62	150.3	169.1	-63.3	154.8	0	0	0	112.4	H363 H367 D375 A376 M392	H363-H373 AromaticContact CE1-CD2 3.57Å; H363-H373 AromaticContact CE1-NE2 3.67Å; H363-H373 AromaticContact NE2-CD2 3.48Å; H363-H373 PolarHBondContact NE2-CD2 2.75Å; H363-H373 AromaticContact NE2-NE2 3.21Å; H363-H373 PolarHBondContact NE2-NE2 3.07Å; H367-H373 AromaticContact CE1-CD2 3.36Å; H367-H373 PolarHBondContact CE1-CD2 2.63Å; H367-H373 AromaticContact CE1-NE2 3.38Å; H367-H373 PolarHBondContact CE1-NE2 2.85Å; H367-H373 AromaticContact NE2-CD2 3.52Å; H367-H373 AromaticContact NE2-NE2 3.2Å; H367-H373 PolarHBondContact NE2-NE2 2.95Å; H367-H373 VanDerWaalsContact NE2-NE2 3.2Å; H373-D375 VanDerWaalsContact C-N 3.27Å; H373-D375 WeakPolarHBondContact CB-OD1 3.28Å; H373-D375 PolarHBondContact O-N 3.27Å; H373-A376 WeakPolarHBondContact O-CB 3.46Å; H373-A376 PolarHBondContact O-N 2.85Å; H373-M392 CarbonylContact C-O 3.54Å; H373-M392 WeakPolarHBondContact CA-O 3.45Å; H373-M392 WeakPolarHBondContact CB-O 3.42Å
374	D	89	Confident	86.6	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.011	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.9	-173.9	-89.1	-45.9	0	0	0	115.2	N383 W387 H390 M392 S406	D374-N383 PolarHBondContact O-ND2 2.81Å; D374-N383 PolarHBondContact OD1-ND2 3.16Å; D374-W387 HydrophobicContact CB-CB 4.38Å; D374-H390 WeakPolarHBondContact OD2-CB 3.44Å; D374-M392 PolarHBondContact N-O 2.95Å; D374-M392 WeakPolarHBondContact OD2-CB 3.47Å; D374-S406 WeakPolarHBondContact OD1-CB 3.43Å; D374-S406 PolarHBondContact OD1-OG 2.75Å; D374-S406 WeakPolarHBondContact OD2-CB 3.48Å; D374-S406 PolarHBondContact OD2-OG 2.98Å
375	D	84.3	Confident	85.2	Confident	67 Å²	67	39 Å²	39	36%	0.358	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.8	169.7	51.6	-0.4	0	0	0	113.8	H373 W387 S394	H373-D375 VanDerWaalsContact C-N 3.27Å; H373-D375 WeakPolarHBondContact CB-OD1 3.28Å; H373-D375 PolarHBondContact O-N 3.27Å; D375-W387 HydrophobicContact CB-CD2 4.17Å; D375-W387 HydrophobicContact CB-CE3 3.81Å; D375-W387 HydrophobicContact CB-CH2 3.79Å; D375-W387 HydrophobicContact CB-CZ2 4.13Å; D375-W387 HydrophobicContact CB-CZ3 3.63Å; D375-S394 VanDerWaalsContact OD2-CB 3.29Å; D375-S394 WeakPolarHBondContact OD2-CB 2.98Å; D375-S394 PolarHBondContact OD2-OG 3.05Å
376	A	84	Confident	83.6	Confident	31 Å²	31	46 Å²	46	26%	0.256	29%	0.294	S	S	.	.	S	Bend	trans	-60.2	146	178.5	0	0	0	0	0	111.6	P372 H373 L378 C379 S380	P372-A376 HydrophobicContact CB-CB 4.15Å; H373-A376 WeakPolarHBondContact O-CB 3.46Å; H373-A376 PolarHBondContact O-N 2.85Å; A376-L378 PolarHBondContact O-N 3.28Å; A376-C379 WeakPolarHBondContact O-CB 3.35Å; A376-C379 PolarHBondContact O-N 2.79Å; A376-S380 PolarHBondContact O-N 3.22Å
377	Q	80.4	Confident	82.4	Confident	118 Å²	118	50.4 Å²	50.4	55%	0.551	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.7	-176.4	-178.4	65.7	94	0	0	113.9	C379 S380	Q377-C379 VanDerWaalsContact C-N 3.35Å; Q377-S380 PolarHBondContact NE2-OG 3.46Å; Q377-S380 PolarHBondContact O-OG 3.34Å
378	L	79.2	Confident	81.6	Confident	107 Å²	107	52.9 Å²	52.9	56%	0.56	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.5	174.7	-174.4	60.7	0	0	0	113	A376 M412	A376-L378 PolarHBondContact O-N 3.28Å; L378-M412 HydrophobicContact CD2-CE 3.56Å; L378-M412 HydrophobicContact CD2-SD 3.92Å
379	C	85.1	Confident	80.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-16.4	179.4	-68.9	0	0	0	0	113.9	A376 Q377 G381 V382 N383 C408	A376-C379 WeakPolarHBondContact O-CB 3.35Å; A376-C379 PolarHBondContact O-N 2.79Å; Q377-C379 VanDerWaalsContact C-N 3.35Å; C379-G381 PolarHBondContact O-N 2.87Å; C379-G381 VanDerWaalsContact O-N 3.09Å; C379-V382 PolarHBondContact O-N 2.84Å; C379-N383 PolarHBondContact O-N 2.8Å; C379-C408 WeakPolarHBondContact CA-SG 3.35Å; C379-C408 HydrophobicContact CB-CB 3.56Å; C379-C408 WeakPolarHBondContact CB-SG 3.47Å; C379-C408 WeakPolarHBondContact SG-CB 3.49Å; C379-C408 CovalentContact SG-SG 2.03Å; C379-C408 PolarHBondContact SG-SG 2.84Å
380	S	80.6	Confident	80.7	Confident	79 Å²	79	55.3 Å²	55.3	55%	0.552	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.8	-173.6	74.3	0	0	0	0	115	A376 Q377	A376-S380 PolarHBondContact O-N 3.22Å; Q377-S380 PolarHBondContact NE2-OG 3.46Å; Q377-S380 PolarHBondContact O-OG 3.34Å
381	G	75.6	Confident	80.7	Confident	75 Å²	75	52.7 Å²	52.7	77%	0.773	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	1.6	173.8	0	0	0	0	0	114.6	C379	C379-G381 PolarHBondContact O-N 2.87Å; C379-G381 VanDerWaalsContact O-N 3.09Å
382	V	81.1	Confident	80.7	Confident	59 Å²	59	52.7 Å²	52.7	36%	0.358	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-38.4	-173.5	-173.3	0	0	0	0	111.7	C379 P407 C408 L411	C379-V382 PolarHBondContact O-N 2.84Å; V382-P407 HydrophobicContact CG1-CB 4.12Å; V382-C408 HydrophobicContact CB-CB 4.34Å; V382-C408 HydrophobicContact CG1-CB 4.34Å; V382-L411 HydrophobicContact CG1-CD2 3.94Å; V382-L411 HydrophobicContact CG2-CD2 4.05Å
383	N	83.9	Confident	80.7	Confident	20 Å²	20	51.4 Å²	51.4	11%	0.107	32%	0.32	C	S	.	.	S	Bend	trans	-82	146.4	174.7	-75.2	-14	0	0	0	111.4	D374 C379 W387 C408	D374-N383 PolarHBondContact O-ND2 2.81Å; D374-N383 PolarHBondContact OD1-ND2 3.16Å; C379-N383 PolarHBondContact O-N 2.8Å; N383-W387 HydrophobicContact CB-CB 4.19Å; N383-C408 VanDerWaalsContact OD1-CB 3.22Å; N383-C408 WeakPolarHBondContact OD1-CB 3.37Å; N383-C408 PolarHBondContact OD1-N 3.45Å
384	G	69.8	Low	80.3	Confident	55 Å²	55	51.3 Å²	51.3	57%	0.567	32%	0.322	S	S	*	.			trans	-83.3	-172.7	172.3	0	0	0	0	0	113.2	H386	G384-H386 PolarHBondContact O-N 2.81Å
385	A	65.3	Low	79.8	Confident	95 Å²	95	53.6 Å²	53.6	79%	0.785	34%	0.336	S	S	*	.	S	Bend	trans	-63	-8.6	-178.8	0	0	0	0	0	115.5
386	H	63.9	Low	79.1	Confident	148 Å²	148	50.9 Å²	50.9	69%	0.685	32%	0.322	S	S	*	.			trans	-116.5	56.9	-179.5	-59.5	-59.3	0	0	0	111	G384 H390	G384-H386 PolarHBondContact O-N 2.81Å; H386-H390 PolarHBondContact O-CE1 2.92Å; H386-H390 PolarHBondContact O-ND1 3.3Å
387	W	68.3	Low	78.2	Confident	91 Å²	91	52.2 Å²	52.2	35%	0.345	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-74.6	-32.3	178.7	54.9	-98.5	0	0	0	112.9	D374 D375 N383 S389 H390	D374-W387 HydrophobicContact CB-CB 4.38Å; D375-W387 HydrophobicContact CB-CD2 4.17Å; D375-W387 HydrophobicContact CB-CE3 3.81Å; D375-W387 HydrophobicContact CB-CH2 3.79Å; D375-W387 HydrophobicContact CB-CZ2 4.13Å; D375-W387 HydrophobicContact CB-CZ3 3.63Å; N383-W387 HydrophobicContact CB-CB 4.19Å; W387-S389 PolarHBondContact O-N 3Å; W387-H390 PolarHBondContact O-N 2.86Å; W387-H390 PolarHBondContact O-ND1 2.6Å
388	S	73.1	Confident	77.7	Confident	55 Å²	55	51.8 Å²	51.8	39%	0.385	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-71.1	-0.1	-170.1	55.5	0	0	0	0	116.4
389	S	81.1	Confident	77.7	Confident	28 Å²	28	48.3 Å²	48.3	20%	0.196	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-103.9	20.6	178.4	60.3	0	0	0	0	114.2	W387 N398 D400	W387-S389 PolarHBondContact O-N 3Å; S389-N398 WeakPolarHBondContact CA-O 3Å; S389-N398 WeakPolarHBondContact CB-O 3.03Å; S389-D400 PolarHBondContact O-N 2.79Å
390	H	89.7	Confident	77.5	Confident	23 Å²	23	51.3 Å²	51.3	11%	0.106	33%	0.329	C	S	.	.	S	Bend	trans	-118.1	166.1	-176.2	-60.3	93.4	0	0	0	112.2	D374 H386 W387 M392 A393 L399 Q403 P404 S406	D374-H390 WeakPolarHBondContact OD2-CB 3.44Å; H386-H390 PolarHBondContact O-CE1 2.92Å; H386-H390 PolarHBondContact O-ND1 3.3Å; W387-H390 PolarHBondContact O-N 2.86Å; W387-H390 PolarHBondContact O-ND1 2.6Å; H390-M392 VanDerWaalsContact C-N 3.29Å; H390-M392 PolarHBondContact O-N 2.04Å; H390-A393 VanDerWaalsContact O-CB 3.25Å; H390-A393 WeakPolarHBondContact O-CB 3.09Å; H390-A393 PolarHBondContact O-N 3.12Å; H390-L399 VanDerWaalsContact C-CD1 3.46Å; H390-Q403 PolarHBondContact CD2-O 2.83Å; H390-P404 CarbonylContact C-O 3.32Å; H390-S406 WeakPolarHBondContact CD2-CA 3.4Å; H390-S406 PolarHBondContact CD2-N 3.06Å
391	M	90.5	Very high	77.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.6	-172.6	-167.3	76.8	-85.6	0	0	112.4	L254 F359 A362 H363 A393 L396 L399 P404 W405	L254-M391 HydrophobicContact CD1-SD 4.03Å; F359-M391 HydrophobicContact CB-CE 3.8Å; F359-M391 HydrophobicContact CD1-CE 4.27Å; F359-M391 HydrophobicContact CD1-SD 4.46Å; F359-M391 WeakPolarHBondContact O-CE 3.25Å; A362-M391 HydrophobicContact CB-CG 4.25Å; A362-M391 HydrophobicContact CB-SD 3.63Å; H363-M391 HydrophobicContact CB-CE 4.48Å; H363-M391 PolarHBondContact ND1-O 2.8Å; M391-A393 VanDerWaalsContact C-N 3.34Å; M391-L396 HydrophobicContact CE-CD1 3.61Å; M391-L399 HydrophobicContact CB-CD1 4.37Å; M391-L399 HydrophobicContact CE-CD2 4.12Å; M391-L399 HydrophobicContact SD-CD2 4.26Å; M391-P404 WeakPolarHBondContact CB-O 3.45Å; M391-P404 PolarHBondContact N-O 3.07Å; M391-W405 HydrophobicContact CB-CD2 4.24Å; M391-W405 HydrophobicContact CB-CE3 3.82Å; M391-W405 HydrophobicContact CB-CH2 4.27Å; M391-W405 HydrophobicContact CB-CZ3 3.84Å; M391-W405 HydrophobicContact CG-CE3 4.13Å; M391-W405 HydrophobicContact CG-CH2 3.64Å; M391-W405 HydrophobicContact CG-CZ2 4.09Å; M391-W405 HydrophobicContact CG-CZ3 3.65Å
392	M	92.2	Very high	77.4	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	16.5	178.9	-55.5	-53.2	-57.1	0	0	112.8	H363 M371 H373 D374 H390 W405 S409	H363-M392 WeakPolarHBondContact O-CE 3.46Å; M371-M392 HydrophobicContact CB-CE 4.26Å; M371-M392 HydrophobicContact CB-CG 4Å; M371-M392 HydrophobicContact CB-SD 4.33Å; M371-M392 HydrophobicContact SD-CG 4.07Å; M371-M392 HydrophobicContact SD-SD 4.45Å; H373-M392 CarbonylContact C-O 3.54Å; H373-M392 WeakPolarHBondContact CA-O 3.45Å; H373-M392 WeakPolarHBondContact CB-O 3.42Å; D374-M392 PolarHBondContact N-O 2.95Å; D374-M392 WeakPolarHBondContact OD2-CB 3.47Å; H390-M392 VanDerWaalsContact C-N 3.29Å; H390-M392 PolarHBondContact O-N 2.04Å; M392-W405 HydrophobicContact CG-CZ3 4.21Å; M392-W405 HydrophobicContact SD-CZ3 4.05Å; M392-S409 VanDerWaalsContact CG-OG 3.22Å; M392-S409 WeakPolarHBondContact CG-OG 3.23Å
393	A	88.4	Confident	77.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.314	C	S	.	.			trans	-63.2	138	167.8	0	0	0	0	0	110.4	H363 H390 M391 T395	H363-A393 PolarHBondContact CE1-O 3.01Å; H390-A393 VanDerWaalsContact O-CB 3.25Å; H390-A393 WeakPolarHBondContact O-CB 3.09Å; H390-A393 PolarHBondContact O-N 3.12Å; M391-A393 VanDerWaalsContact C-N 3.34Å; A393-T395 PolarHBondContact O-N 3.43Å; A393-T395 VanDerWaalsContact O-N 3.1Å
394	S	81.9	Confident	77.8	Confident	25 Å²	25	55.9 Å²	55.9	18%	0.175	31%	0.31	C	S	.	.	S	Bend	trans	-62.9	-14.1	-179.7	55.4	0	0	0	0	114.6	K179 C180 D375	K179-S394 WeakPolarHBondContact CA-O 3.38Å; C180-S394 PolarHBondContact N-O 2.87Å; D375-S394 VanDerWaalsContact OD2-CB 3.29Å; D375-S394 WeakPolarHBondContact OD2-CB 2.98Å; D375-S394 PolarHBondContact OD2-OG 3.05Å
395	T	78.1	Confident	78.9	Confident	49 Å²	49	53.4 Å²	53.4	30%	0.301	28%	0.283	S	S	.	.	S	Bend	trans	-131.8	126.3	172	47.6	0	0	0	0	109.8	K179 A393 S397	K179-T395 HydrophobicContact CG-CG2 3.93Å; A393-T395 PolarHBondContact O-N 3.43Å; A393-T395 VanDerWaalsContact O-N 3.1Å; T395-S397 PolarHBondContact O-N 3.07Å
396	L	68.6	Low	80.2	Confident	10 Å²	10	49 Å²	49	5%	0.052	25%	0.246	C	C	.	.			trans	-83.6	36.7	-166.7	-154.7	69.2	0	0	0	113.6	F359 M391 F489	F359-L396 HydrophobicContact CB-CD2 3.83Å; M391-L396 HydrophobicContact CE-CD1 3.61Å; L396-F489 HydrophobicContact CB-CZ 4.32Å; L396-F489 HydrophobicContact CD2-CE1 4.03Å; L396-F489 HydrophobicContact CD2-CZ 3.99Å; L396-F489 HydrophobicContact CG-CE1 4.07Å; L396-F489 HydrophobicContact CG-CZ 4.25Å; L396-F489 VanDerWaalsContact O-CE1 3.23Å; L396-F489 WeakPolarHBondContact O-CE1 3.48Å
397	S	66.1	Low	81.5	Confident	59 Å²	59	45.2 Å²	45.2	41%	0.413	24%	0.235	S	C	.	.	S	Bend	trans	-89.2	-25.1	-157.7	61.7	0	0	0	0	116.5	T395 N488	T395-S397 PolarHBondContact O-N 3.07Å; S397-N488 PolarHBondContact O-ND2 3.32Å
398	N	69.3	Low	82.6	Confident	109 Å²	109	40.9 Å²	40.9	58%	0.583	22%	0.219	S	C	*	.			trans	-154.6	61.1	-171.5	-169.8	20.3	0	0	0	113.5	S389 D400	S389-N398 WeakPolarHBondContact CA-O 3Å; S389-N398 WeakPolarHBondContact CB-O 3.03Å; N398-D400 PolarHBondContact O-N 3.1Å
399	L	78.4	Confident	83.6	Confident	34 Å²	34	38.3 Å²	38.3	18%	0.178	20%	0.201	C	C	.	.			trans	-70.2	120.4	-176	-177.8	68.4	0	0	0	113.2	F359 H390 M391 Q401 P404	F359-L399 HydrophobicContact CD1-CD2 3.47Å; F359-L399 VanDerWaalsContact CD1-CD2 3.47Å; F359-L399 HydrophobicContact CE1-CD2 3.58Å; F359-L399 HydrophobicContact CG-CD2 4.4Å; H390-L399 VanDerWaalsContact C-CD1 3.46Å; M391-L399 HydrophobicContact CB-CD1 4.37Å; M391-L399 HydrophobicContact CE-CD2 4.12Å; M391-L399 HydrophobicContact SD-CD2 4.26Å; L399-Q401 PolarHBondContact O-N 2.99Å; L399-Q401 VanDerWaalsContact O-N 3.13Å; L399-P404 HydrophobicContact CD1-CB 4.16Å
400	D	80.9	Confident	84.1	Confident	64 Å²	64	37.2 Å²	37.2	34%	0.342	19%	0.194	S	C	.	.			trans	-75.5	100.4	167.4	-178.3	10.1	0	0	0	110.4	S389 N398 R402 Q403 P404	S389-D400 PolarHBondContact O-N 2.79Å; N398-D400 PolarHBondContact O-N 3.1Å; D400-R402 PolarHBondContact O-N 3.31Å; D400-R402 VanDerWaalsContact OD1-CB 3.24Å; D400-R402 WeakPolarHBondContact OD1-CB 3.28Å; D400-R402 WeakPolarHBondContact OD1-CG 3Å; D400-R402 PolarHBondContact OD1-N 3.38Å; D400-Q403 CarbonylContact O-C 3.54Å; D400-Q403 PolarHBondContact O-N 3.05Å; D400-P404 WeakPolarHBondContact O-CA 3.47Å
401	Q	76.8	Confident	84.1	Confident	49 Å²	49	40.3 Å²	40.3	23%	0.229	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.2	177	-62.4	-175.3	-6.7	0	0	114.4	L399 P490	L399-Q401 PolarHBondContact O-N 2.99Å; L399-Q401 VanDerWaalsContact O-N 3.13Å; Q401-P490 VanDerWaalsContact NE2-CG 3.28Å
402	R	78.9	Confident	84	Confident	162 Å²	162	42 Å²	42	61%	0.611	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-22.9	171.6	-52.9	178	-175.6	-166	7	113.4	H257 D400	H257-R402 PolarHBondContact CE1-O 3.21Å; D400-R402 PolarHBondContact O-N 3.31Å; D400-R402 VanDerWaalsContact OD1-CB 3.24Å; D400-R402 WeakPolarHBondContact OD1-CB 3.28Å; D400-R402 WeakPolarHBondContact OD1-CG 3Å; D400-R402 PolarHBondContact OD1-N 3.38Å
403	Q	84.6	Confident	84	Confident	116 Å²	116	42 Å²	42	54%	0.542	22%	0.219	S	C	.	.	S	Bend	trans	-141	61.1	173.9	-63.3	-166.6	7.1	0	0	109.6	H390 D400 W405	H390-Q403 PolarHBondContact CD2-O 2.83Å; D400-Q403 CarbonylContact O-C 3.54Å; D400-Q403 PolarHBondContact O-N 3.05Å; Q403-W405 PolarHBondContact O-N 2.02Å
404	P	88.3	Confident	84	Confident	1 Å²	1	43 Å²	43	1%	0.006	23%	0.225	C	C	.	.			trans	-62.9	-27	-174.9	24.5	-35.2	0	0	0	112.6	L254 H257 H390 M391 L399 D400	L254-P404 HydrophobicContact CD2-CB 4.09Å; L254-P404 HydrophobicContact CD2-CG 4.29Å; H257-P404 HydrophobicContact CB-CG 4.02Å; H257-P404 WeakPolarHBondContact ND1-CD 3.49Å; H390-P404 CarbonylContact C-O 3.32Å; M391-P404 WeakPolarHBondContact CB-O 3.45Å; M391-P404 PolarHBondContact N-O 3.07Å; L399-P404 HydrophobicContact CD1-CB 4.16Å; D400-P404 WeakPolarHBondContact O-CA 3.47Å
405	W	92.6	Very high	84.1	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.015	23%	0.234	C	C	.	.	S	Bend	trans	-104.8	129	177.9	-56.6	99.5	0	0	0	110.8	L254 Y255 S259 I260 M371 M391 M392 Q403	L254-W405 PolarHBondContact O-NE1 3.06Å; Y255-W405 HydrophobicContact CD1-CZ2 4.35Å; Y255-W405 HydrophobicContact CD2-CH2 4.46Å; Y255-W405 AromaticContact CD2-CZ2 3.94Å; Y255-W405 HydrophobicContact CD2-CZ2 3.94Å; Y255-W405 HydrophobicContact CE1-CH2 4.12Å; Y255-W405 HydrophobicContact CE1-CZ2 4.1Å; Y255-W405 AromaticContact CE2-CH2 3.71Å; Y255-W405 HydrophobicContact CE2-CH2 3.71Å; Y255-W405 AromaticContact CE2-CZ2 3.64Å; Y255-W405 HydrophobicContact CE2-CZ2 3.64Å; Y255-W405 HydrophobicContact CG-CZ2 4.28Å; Y255-W405 AromaticContact CZ-CH2 3.5Å; Y255-W405 VanDerWaalsContact CZ-CH2 3.5Å; Y255-W405 AromaticContact CZ-CZ2 3.72Å; Y255-W405 WeakPolarHBondContact OH-CH2 3.47Å; S259-W405 WeakPolarHBondContact CB-O 3.23Å; S259-W405 WeakPolarHBondContact OG-CB 3.48Å; S259-W405 PolarHBondContact OG-N 2.9Å; I260-W405 HydrophobicContact CB-CB 4.36Å; I260-W405 HydrophobicContact CB-CD2 4.36Å; I260-W405 HydrophobicContact CB-CG 3.86Å; I260-W405 HydrophobicContact CD1-CD2 4.04Å; I260-W405 HydrophobicContact CD1-CG 4.43Å; I260-W405 HydrophobicContact CD1-CH2 4.45Å; I260-W405 HydrophobicContact CD1-CZ2 3.96Å; I260-W405 HydrophobicContact CG1-CD2 4.05Å; I260-W405 HydrophobicContact CG1-CG 4.03Å; M371-W405 HydrophobicContact CE-CE3 3.95Å; M371-W405 HydrophobicContact CE-CH2 4.07Å; M371-W405 HydrophobicContact CE-CZ3 3.56Å; M371-W405 HydrophobicContact SD-CE3 3.71Å; M371-W405 HydrophobicContact SD-CZ3 3.54Å; M371-W405 VanDerWaalsContact SD-CZ3 3.54Å; M391-W405 HydrophobicContact CB-CD2 4.24Å; M391-W405 HydrophobicContact CB-CE3 3.82Å; M391-W405 HydrophobicContact CB-CH2 4.27Å; M391-W405 HydrophobicContact CB-CZ3 3.84Å; M391-W405 HydrophobicContact CG-CE3 4.13Å; M391-W405 HydrophobicContact CG-CH2 3.64Å; M391-W405 HydrophobicContact CG-CZ2 4.09Å; M391-W405 HydrophobicContact CG-CZ3 3.65Å; M392-W405 HydrophobicContact CG-CZ3 4.21Å; M392-W405 HydrophobicContact SD-CZ3 4.05Å; Q403-W405 PolarHBondContact O-N 2.02Å
406	S	92.8	Very high	84.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.223	C	C	.	.			trans	-73.1	164.7	179.8	73.5	0	0	0	0	113	D374 H390 C408 S409 A410	D374-S406 WeakPolarHBondContact OD1-CB 3.43Å; D374-S406 PolarHBondContact OD1-OG 2.75Å; D374-S406 WeakPolarHBondContact OD2-CB 3.48Å; D374-S406 PolarHBondContact OD2-OG 2.98Å; H390-S406 WeakPolarHBondContact CD2-CA 3.4Å; H390-S406 PolarHBondContact CD2-N 3.06Å; S406-C408 VanDerWaalsContact C-N 3.28Å; S406-C408 PolarHBondContact O-N 3.27Å; S406-C408 PolarHBondContact OG-N 3.03Å; S406-S409 PolarHBondContact O-N 2.95Å; S406-S409 VanDerWaalsContact OG-CB 3.26Å; S406-S409 WeakPolarHBondContact OG-CB 3.41Å; S406-S409 PolarHBondContact OG-N 3.28Å; S406-S409 PolarHBondContact OG-OG 3.3Å; S406-A410 VanDerWaalsContact O-CB 3.3Å; S406-A410 WeakPolarHBondContact O-CB 3.4Å; S406-A410 PolarHBondContact O-N 3.36Å
407	P	91.3	Very high	85.4	Confident	69 Å²	69	42.3 Å²	42.3	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-55.4	-39	168.8	-26.7	36.6	0	0	0	113.5	V382 L411	V382-P407 HydrophobicContact CG1-CB 4.12Å; P407-L411 VanDerWaalsContact O-CB 3.25Å; P407-L411 WeakPolarHBondContact O-CB 3.43Å; P407-L411 PolarHBondContact O-N 3.48Å
408	C	91.1	Very high	86	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-50.8	176.4	-169.9	0	0	0	0	112	C379 V382 N383 S406 A410 L411 M412	C379-C408 WeakPolarHBondContact CA-SG 3.35Å; C379-C408 HydrophobicContact CB-CB 3.56Å; C379-C408 WeakPolarHBondContact CB-SG 3.47Å; C379-C408 WeakPolarHBondContact SG-CB 3.49Å; C379-C408 CovalentContact SG-SG 2.03Å; C379-C408 PolarHBondContact SG-SG 2.84Å; V382-C408 HydrophobicContact CB-CB 4.34Å; V382-C408 HydrophobicContact CG1-CB 4.34Å; N383-C408 VanDerWaalsContact OD1-CB 3.22Å; N383-C408 WeakPolarHBondContact OD1-CB 3.37Å; N383-C408 PolarHBondContact OD1-N 3.45Å; S406-C408 VanDerWaalsContact C-N 3.28Å; S406-C408 PolarHBondContact O-N 3.27Å; S406-C408 PolarHBondContact OG-N 3.03Å; C408-A410 VanDerWaalsContact C-N 3.32Å; C408-A410 PolarHBondContact O-N 3.01Å; C408-L411 PolarHBondContact O-N 2.93Å; C408-L411 VanDerWaalsContact O-N 3.13Å; C408-M412 WeakPolarHBondContact O-CB 3.49Å; C408-M412 VanDerWaalsContact O-CG 3.29Å; C408-M412 WeakPolarHBondContact O-CG 3.15Å; C408-M412 PolarHBondContact O-N 3.01Å
409	S	93.8	Very high	86.3	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-51.6	-51.8	176.7	-72.1	0	0	0	0	111.2	M371 M392 S406 L411 M412 I413	M371-S409 VanDerWaalsContact SD-CB 3.6Å; M392-S409 VanDerWaalsContact CG-OG 3.22Å; M392-S409 WeakPolarHBondContact CG-OG 3.23Å; S406-S409 PolarHBondContact O-N 2.95Å; S406-S409 VanDerWaalsContact OG-CB 3.26Å; S406-S409 WeakPolarHBondContact OG-CB 3.41Å; S406-S409 PolarHBondContact OG-N 3.28Å; S406-S409 PolarHBondContact OG-OG 3.3Å; S409-L411 PolarHBondContact O-N 2.91Å; S409-M412 PolarHBondContact O-N 3.09Å; S409-I413 WeakPolarHBondContact O-CG2 3.32Å; S409-I413 PolarHBondContact O-N 3.16Å; S409-I413 VanDerWaalsContact O-N 3.13Å
410	A	92.3	Very high	86.2	Confident	5 Å²	5	36.2 Å²	36.2	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-37.4	179.6	0	0	0	0	0	113.2	S259 H261 S406 C408 T414	S259-A410 VanDerWaalsContact O-CB 3.24Å; S259-A410 WeakPolarHBondContact O-CB 3.47Å; H261-A410 HydrophobicContact CB-CB 4.23Å; S406-A410 VanDerWaalsContact O-CB 3.3Å; S406-A410 WeakPolarHBondContact O-CB 3.4Å; S406-A410 PolarHBondContact O-N 3.36Å; C408-A410 VanDerWaalsContact C-N 3.32Å; C408-A410 PolarHBondContact O-N 3.01Å; A410-T414 WeakPolarHBondContact O-CB 3.25Å; A410-T414 PolarHBondContact O-N 3.27Å; A410-T414 PolarHBondContact O-OG1 3.32Å
411	L	88.4	Confident	86.2	Confident	88 Å²	88	38.2 Å²	38.2	46%	0.461	19%	0.193	S	C	.	.	H	α-helix	trans	-70.6	-43	175.9	177.8	62.9	0	0	0	112	V382 P407 C408 S409 T414 S415	V382-L411 HydrophobicContact CG1-CD2 3.94Å; V382-L411 HydrophobicContact CG2-CD2 4.05Å; P407-L411 VanDerWaalsContact O-CB 3.25Å; P407-L411 WeakPolarHBondContact O-CB 3.43Å; P407-L411 PolarHBondContact O-N 3.48Å; C408-L411 PolarHBondContact O-N 2.93Å; C408-L411 VanDerWaalsContact O-N 3.13Å; S409-L411 PolarHBondContact O-N 2.91Å; L411-T414 WeakPolarHBondContact O-CB 3.09Å; L411-T414 PolarHBondContact O-N 3.08Å; L411-S415 WeakPolarHBondContact O-CB 3.12Å; L411-S415 PolarHBondContact O-N 3.11Å
412	M	88.6	Confident	86.7	Confident	35 Å²	35	35.9 Å²	35.9	17%	0.172	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-51.3	-176.2	-73.3	-62.9	-72.2	0	0	111.5	P372 L378 C408 S409 T414 S415 F416	P372-M412 HydrophobicContact CG-CE 4.31Å; P372-M412 HydrophobicContact CG-CG 4.46Å; L378-M412 HydrophobicContact CD2-CE 3.56Å; L378-M412 HydrophobicContact CD2-SD 3.92Å; C408-M412 WeakPolarHBondContact O-CB 3.49Å; C408-M412 VanDerWaalsContact O-CG 3.29Å; C408-M412 WeakPolarHBondContact O-CG 3.15Å; C408-M412 PolarHBondContact O-N 3.01Å; S409-M412 PolarHBondContact O-N 3.09Å; M412-T414 VanDerWaalsContact C-N 3.33Å; M412-T414 PolarHBondContact O-N 2.98Å; M412-S415 WeakPolarHBondContact O-CB 3.49Å; M412-S415 PolarHBondContact O-N 3.44Å; M412-F416 WeakPolarHBondContact O-CB 3.31Å; M412-F416 PolarHBondContact O-N 2.87Å
413	I	92.8	Very high	87.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-36.4	175.3	-167.5	174.6	0	0	0	112.1	I260 I264 F369 M371 S409 S415 F416 L417	I260-I413 HydrophobicContact CD1-CD1 4.34Å; I260-I413 HydrophobicContact CG1-CG2 4.18Å; I264-I413 HydrophobicContact CD1-CD1 3.32Å; I264-I413 HydrophobicContact CD1-CG1 4.42Å; F369-I413 HydrophobicContact CB-CD1 3.68Å; F369-I413 HydrophobicContact CB-CG1 4.05Å; F369-I413 HydrophobicContact CD1-CD1 3.52Å; F369-I413 HydrophobicContact CD1-CG1 4Å; F369-I413 HydrophobicContact CD2-CD1 3.97Å; F369-I413 HydrophobicContact CE1-CD1 4.08Å; F369-I413 HydrophobicContact CE2-CD1 4.5Å; F369-I413 HydrophobicContact CG-CD1 3.47Å; F369-I413 VanDerWaalsContact CG-CD1 3.47Å; F369-I413 HydrophobicContact CG-CG1 4.18Å; M371-I413 HydrophobicContact CE-CB 3.99Å; M371-I413 HydrophobicContact CE-CD1 3.66Å; M371-I413 HydrophobicContact CE-CG1 4.36Å; M371-I413 HydrophobicContact CE-CG2 4.1Å; M371-I413 HydrophobicContact CG-CB 4.26Å; S409-I413 WeakPolarHBondContact O-CG2 3.32Å; S409-I413 PolarHBondContact O-N 3.16Å; S409-I413 VanDerWaalsContact O-N 3.13Å; I413-S415 VanDerWaalsContact C-N 3.35Å; I413-S415 PolarHBondContact O-N 2.97Å; I413-F416 PolarHBondContact O-N 3.28Å; I413-L417 HydrophobicContact CD1-CD1 4.35Å; I413-L417 HydrophobicContact CG1-CD1 3.91Å; I413-L417 HydrophobicContact CG1-CG 4.09Å; I413-L417 WeakPolarHBondContact O-CB 3.35Å; I413-L417 VanDerWaalsContact O-CG 3.3Å; I413-L417 WeakPolarHBondContact O-CG 2.99Å; I413-L417 PolarHBondContact O-N 3.17Å
414	T	88.3	Confident	87.4	Confident	22 Å²	22	29 Å²	29	14%	0.135	16%	0.16	C	C	.	.	H	α-helix	trans	-56	-49.3	172	-76.1	0	0	0	0	111.5	N262 A410 L411 M412 D418 R565	N262-T414 PolarHBondContact ND2-OG1 2.86Å; A410-T414 WeakPolarHBondContact O-CB 3.25Å; A410-T414 PolarHBondContact O-N 3.27Å; A410-T414 PolarHBondContact O-OG1 3.32Å; L411-T414 WeakPolarHBondContact O-CB 3.09Å; L411-T414 PolarHBondContact O-N 3.08Å; M412-T414 VanDerWaalsContact C-N 3.33Å; M412-T414 PolarHBondContact O-N 2.98Å; T414-D418 WeakPolarHBondContact O-CB 3.04Å; T414-D418 PolarHBondContact O-N 3.46Å; T414-R565 PolarHBondContact O-NH2 2.83Å; T414-R565 PolarHBondContact OG1-NH1 3.08Å
415	S	83.6	Confident	87.7	Confident	53 Å²	53	29.1 Å²	29.1	37%	0.371	16%	0.16	S	C	.	.	H	α-helix	trans	-63.4	-46.8	178.1	-175	0	0	0	0	111.4	L411 M412 I413 L417 D418 N419	L411-S415 WeakPolarHBondContact O-CB 3.12Å; L411-S415 PolarHBondContact O-N 3.11Å; M412-S415 WeakPolarHBondContact O-CB 3.49Å; M412-S415 PolarHBondContact O-N 3.44Å; I413-S415 VanDerWaalsContact C-N 3.35Å; I413-S415 PolarHBondContact O-N 2.97Å; S415-L417 PolarHBondContact O-N 3.13Å; S415-D418 PolarHBondContact O-N 2.65Å; S415-N419 WeakPolarHBondContact O-CB 3.21Å; S415-N419 VanDerWaalsContact O-CG 3.27Å; S415-N419 PolarHBondContact O-N 3.36Å; S415-N419 PolarHBondContact O-ND2 2.87Å; S415-N419 PolarHBondContact OG-ND2 2.78Å; S415-N419 VanDerWaalsContact OG-ND2 3.12Å
416	F	86.1	Confident	87.6	Confident	13 Å²	13	32.5 Å²	32.5	6%	0.057	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-45.2	179.5	-178.6	-100.4	0	0	0	112.6	G338 V340 F369 N370 M412 I413 G420 H421	G338-F416 WeakPolarHBondContact O-CE2 3.37Å; G338-F416 VanDerWaalsContact O-CZ 3.29Å; G338-F416 WeakPolarHBondContact O-CZ 3.49Å; V340-F416 HydrophobicContact CG1-CE1 3.7Å; V340-F416 HydrophobicContact CG1-CZ 4.07Å; F369-F416 WeakPolarHBondContact O-CD1 3.38Å; N370-F416 HydrophobicContact CB-CB 4.22Å; N370-F416 HydrophobicContact CB-CD1 4.46Å; N370-F416 HydrophobicContact CB-CD2 3.34Å; N370-F416 HydrophobicContact CB-CE2 3.65Å; N370-F416 HydrophobicContact CB-CG 3.79Å; N370-F416 HydrophobicContact CB-CZ 4.33Å; M412-F416 WeakPolarHBondContact O-CB 3.31Å; M412-F416 PolarHBondContact O-N 2.87Å; I413-F416 PolarHBondContact O-N 3.28Å; F416-G420 PolarHBondContact O-N 2.74Å; F416-H421 HydrophobicContact CD1-CB 4.05Å; F416-H421 HydrophobicContact CD2-CB 3.58Å; F416-H421 AromaticContact CD2-CG 3.85Å; F416-H421 HydrophobicContact CE1-CB 3.78Å; F416-H421 HydrophobicContact CE2-CB 3.3Å; F416-H421 AromaticContact CE2-CG 3.8Å; F416-H421 HydrophobicContact CG-CB 3.95Å; F416-H421 HydrophobicContact CZ-CB 3.41Å; F416-H421 VanDerWaalsContact CZ-CB 3.41Å; F416-H421 PolarHBondContact O-CD2 3.15Å; F416-H421 PolarHBondContact O-N 3.27Å; F416-H421 VanDerWaalsContact O-N 3.08Å
417	L	87.7	Confident	87.4	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-71.9	-36.9	178.8	-65.4	178.3	0	0	0	113.2	R220 N262 I264 I413 S415 G420 L425	R220-L417 HydrophobicContact CG-CD1 4.24Å; N262-L417 HydrophobicContact CB-CD1 4.38Å; I264-L417 HydrophobicContact CD1-CD1 4.34Å; I413-L417 HydrophobicContact CD1-CD1 4.35Å; I413-L417 HydrophobicContact CG1-CD1 3.91Å; I413-L417 HydrophobicContact CG1-CG 4.09Å; I413-L417 WeakPolarHBondContact O-CB 3.35Å; I413-L417 VanDerWaalsContact O-CG 3.3Å; I413-L417 WeakPolarHBondContact O-CG 2.99Å; I413-L417 PolarHBondContact O-N 3.17Å; S415-L417 PolarHBondContact O-N 3.13Å; L417-G420 WeakPolarHBondContact O-CA 3.39Å; L417-G420 PolarHBondContact O-N 3.19Å; L417-L425 HydrophobicContact CD2-CD1 4.02Å
418	D	80.1	Confident	87.2	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-77.7	-28	175.3	-85.8	-40.6	0	0	0	113.1	R214 F215 T414 S415 G420 R565	R214-D418 WeakPolarHBondContact CD-O 3.37Å; R214-D418 WeakPolarHBondContact CG-O 3.39Å; R214-D418 PolarHBondContact NE-O 3.18Å; R214-D418 PolarHBondContact NH1-O 3.23Å; F215-D418 WeakPolarHBondContact CA-OD1 3.49Å; F215-D418 HydrophobicContact CE1-CB 4.41Å; F215-D418 PolarHBondContact N-OD1 2.7Å; T414-D418 WeakPolarHBondContact O-CB 3.04Å; T414-D418 PolarHBondContact O-N 3.46Å; S415-D418 PolarHBondContact O-N 2.65Å; D418-G420 PolarHBondContact O-N 3.21Å; D418-R565 IonicContact OD1-NH2 3.81Å; D418-R565 IonicContact OD2-CZ 2.72Å; D418-R565 VanDerWaalsContact OD2-CZ 3.23Å; D418-R565 IonicContact OD2-NE 3.73Å; D418-R565 PolarHBondContact OD2-NE 2.59Å; D418-R565 IonicContact OD2-NH2 2.87Å; D418-R565 PolarHBondContact OD2-NH2 2.94Å
419	N	74.4	Confident	87.1	Confident	57 Å²	57	40.3 Å²	40.3	31%	0.305	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.9	165.8	-72.8	-45.8	0	0	0	112.5	R214 S415	R214-N419 VanDerWaalsContact CZ-C 3.44Å; R214-N419 PolarHBondContact NH1-O 3.2Å; R214-N419 PolarHBondContact NH2-O 2.72Å; S415-N419 WeakPolarHBondContact O-CB 3.21Å; S415-N419 VanDerWaalsContact O-CG 3.27Å; S415-N419 PolarHBondContact O-N 3.36Å; S415-N419 PolarHBondContact O-ND2 2.87Å; S415-N419 PolarHBondContact OG-ND2 2.78Å; S415-N419 VanDerWaalsContact OG-ND2 3.12Å
420	G	76.4	Confident	86.4	Confident	10 Å²	10	45 Å²	45	10%	0.103	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	27	167.1	0	0	0	0	0	114.4	F416 L417 D418 Q423	F416-G420 PolarHBondContact O-N 2.74Å; L417-G420 WeakPolarHBondContact O-CA 3.39Å; L417-G420 PolarHBondContact O-N 3.19Å; D418-G420 PolarHBondContact O-N 3.21Å; G420-Q423 WeakPolarHBondContact O-CG 3.12Å; G420-Q423 PolarHBondContact O-NE2 2.85Å
421	H	82.4	Confident	85.7	Confident	106 Å²	106	50.6 Å²	50.6	49%	0.491	26%	0.262	S	S	.	.			trans	-75.4	-43.7	177.6	-65.7	-95.7	0	0	0	111.3	C341 F416 Q423	C341-H421 PolarHBondContact SG-O 3.45Å; C341-H421 VanDerWaalsContact SG-O 3.34Å; F416-H421 HydrophobicContact CD1-CB 4.05Å; F416-H421 HydrophobicContact CD2-CB 3.58Å; F416-H421 AromaticContact CD2-CG 3.85Å; F416-H421 HydrophobicContact CE1-CB 3.78Å; F416-H421 HydrophobicContact CE2-CB 3.3Å; F416-H421 AromaticContact CE2-CG 3.8Å; F416-H421 HydrophobicContact CG-CB 3.95Å; F416-H421 HydrophobicContact CZ-CB 3.41Å; F416-H421 VanDerWaalsContact CZ-CB 3.41Å; F416-H421 PolarHBondContact O-CD2 3.15Å; F416-H421 PolarHBondContact O-N 3.27Å; F416-H421 VanDerWaalsContact O-N 3.08Å; H421-Q423 PolarHBondContact O-N 3.28Å
422	G	87.1	Confident	85.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.			trans	-71.8	62.9	169.1	0	0	0	0	0	113.6	R220	R220-G422 PolarHBondContact NH1-O 3.06Å
423	Q	87	Confident	84.7	Confident	109 Å²	109	50.3 Å²	50.3	51%	0.509	27%	0.266	S	S	.	.			trans	-85.6	-28.7	-178.5	-110.4	172	110.4	0	0	114	C341 G420 H421 L426	C341-Q423 PolarHBondContact SG-N 3.1Å; C341-Q423 VanDerWaalsContact SG-N 3.35Å; G420-Q423 WeakPolarHBondContact O-CG 3.12Å; G420-Q423 PolarHBondContact O-NE2 2.85Å; H421-Q423 PolarHBondContact O-N 3.28Å; Q423-L426 HydrophobicContact CG-CD1 4.44Å
424	C	91.2	Very high	84	Confident	25 Å²	25	54.9 Å²	54.9	17%	0.169	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-61.6	-47.3	174.1	52.7	0	0	0	0	111.3	D313 C341 L426	D313-C424 WeakPolarHBondContact OD1-CB 3.38Å; D313-C424 PolarHBondContact OD1-SG 3.47Å; C341-C424 VanDerWaalsContact CA-SG 3.53Å; C341-C424 HydrophobicContact CB-CB 3.99Å; C341-C424 WeakPolarHBondContact CB-SG 3.29Å; C341-C424 WeakPolarHBondContact SG-CB 3.13Å; C341-C424 PolarHBondContact SG-N 3.1Å; C341-C424 CovalentContact SG-SG 2.04Å; C341-C424 PolarHBondContact SG-SG 2.92Å; C424-L426 PolarHBondContact O-N 2.91Å
425	L	93.6	Very high	83.5	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-56.7	16.1	178	-43.2	177.8	0	0	0	118.3	R220 Y221 L222 D313 V340 F369 L417	R220-L425 VanDerWaalsContact CA-O 3.27Å; R220-L425 WeakPolarHBondContact CA-O 3.42Å; R220-L425 HydrophobicContact CB-CB 4.08Å; R220-L425 VanDerWaalsContact CD-O 3.29Å; R220-L425 WeakPolarHBondContact CD-O 3.34Å; R220-L425 HydrophobicContact CG-CB 4.49Å; Y221-L425 PolarHBondContact N-O 2.99Å; Y221-L425 WeakPolarHBondContact O-CA 3.27Å; Y221-L425 WeakPolarHBondContact O-CB 3.48Å; Y221-L425 VanDerWaalsContact O-CD2 3.29Å; Y221-L425 WeakPolarHBondContact O-CD2 3.41Å; L222-L425 HydrophobicContact CB-CD2 4.44Å; L222-L425 HydrophobicContact CD1-CD2 3.43Å; L222-L425 VanDerWaalsContact CD1-CD2 3.43Å; D313-L425 HydrophobicContact CB-CD2 4Å; D313-L425 VanDerWaalsContact CG-CD2 3.46Å; D313-L425 WeakPolarHBondContact OD2-CD2 3.5Å; V340-L425 HydrophobicContact CG1-CD1 4.08Å; V340-L425 HydrophobicContact CG2-CD1 4.29Å; V340-L425 HydrophobicContact CG2-CD2 4.01Å; F369-L425 HydrophobicContact CE1-CD1 3.56Å; F369-L425 HydrophobicContact CZ-CD1 4.24Å; L417-L425 HydrophobicContact CD2-CD1 4.02Å
426	L	90.6	Very high	83.1	Confident	76 Å²	76	55.7 Å²	55.7	40%	0.398	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-106.5	-16.8	-170	-80.1	175.9	0	0	0	115.3	Q423 C424	Q423-L426 HydrophobicContact CG-CD1 4.44Å; C424-L426 PolarHBondContact O-N 2.91Å
427	D	88.1	Confident	82.4	Confident	76 Å²	76	63.9 Å²	63.9	41%	0.406	34%	0.336	S	S	.	.	S	Bend	trans	-104.2	-178.4	163.3	56.5	-82.9	0	0	0	111.3	Y221	Y221-D427 WeakPolarHBondContact CD2-O 3.45Å
428	K	88.4	Confident	81.8	Confident	140 Å²	140	67.6 Å²	67.6	61%	0.609	36%	0.36	S	S	*	.			trans	-125.2	134.4	-160	-176.8	-169.6	174.6	-164.2	0	109.6	Y221 V430	Y221-K428 HydrophobicContact CD1-CG 4.1Å; Y221-K428 HydrophobicContact CD2-CB 3.89Å; Y221-K428 HydrophobicContact CD2-CG 4.13Å; Y221-K428 HydrophobicContact CE1-CD 4.39Å; Y221-K428 HydrophobicContact CE1-CG 3.98Å; Y221-K428 HydrophobicContact CE2-CB 3.84Å; Y221-K428 HydrophobicContact CE2-CG 3.97Å; Y221-K428 HydrophobicContact CG-CB 4.33Å; Y221-K428 HydrophobicContact CG-CG 4.18Å; K428-V430 PolarHBondContact O-N 2.86Å
429	P	87.4	Confident	81.8	Confident	19 Å²	19	68.3 Å²	68.3	12%	0.123	36%	0.364	C	S	.	.			trans	-52.1	133.6	-176.5	15.6	-32	0	0	0	114.2	E223 A267 V269 A432	E223-P429 HydrophobicContact CG-CB 4.13Å; E223-P429 WeakPolarHBondContact OE1-CA 3.23Å; E223-P429 WeakPolarHBondContact OE1-CB 3.48Å; A267-P429 HydrophobicContact CB-CB 4.38Å; A267-P429 HydrophobicContact CB-CG 3.69Å; V269-P429 HydrophobicContact CG1-CB 3.92Å; P429-A432 HydrophobicContact CB-CB 4.13Å; P429-A432 HydrophobicContact CG-CB 4.19Å
430	V	79.9	Confident	82.3	Confident	98 Å²	98	66.1 Å²	66.1	59%	0.594	35%	0.353	S	S	*	.	S	Bend	trans	-72.1	-38.6	-178.8	-173.4	0	0	0	0	111.2	P309 K428	P309-V430 HydrophobicContact CB-CB 4.23Å; P309-V430 HydrophobicContact CB-CG1 4.39Å; P309-V430 HydrophobicContact CG-CB 4.29Å; P309-V430 HydrophobicContact CG-CG1 4.07Å; K428-V430 PolarHBondContact O-N 2.86Å
431	K	77.6	Confident	82.7	Confident	124 Å²	124	66 Å²	66	54%	0.539	35%	0.352	S	S	.	.	S	Bend	trans	-146	74.9	-179.4	-169.4	-172.3	176.6	-175.2	0	111.5	G84 P309	G84-K431 PolarHBondContact O-NZ 2.79Å; P309-K431 HydrophobicContact CB-CB 4.37Å
432	A	79.6	Confident	82.8	Confident	48 Å²	48	65.2 Å²	65.2	40%	0.397	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-74.7	140.4	172.3	0	0	0	0	0	112.2	A267 P429	A267-A432 HydrophobicContact CB-CB 4.05Å; P429-A432 HydrophobicContact CB-CB 4.13Å; P429-A432 HydrophobicContact CG-CB 4.19Å
433	Q	76.9	Confident	82.7	Confident	68 Å²	68	68.7 Å²	68.7	32%	0.318	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-68	130.4	169	173.4	62.7	30.7	0	0	109.8	L245 V268 L435	L245-Q433 HydrophobicContact CD1-CG 4.07Å; L245-Q433 HydrophobicContact CD2-CG 3.75Å; V268-Q433 HydrophobicContact CB-CB 4.3Å; V268-Q433 HydrophobicContact CG1-CB 4.26Å; V268-Q433 WeakPolarHBondContact O-CB 3.48Å; V268-Q433 PolarHBondContact O-N 2.83Å; Q433-L435 PolarHBondContact O-N 3.03Å
434	P	78.9	Confident	82.7	Confident	97 Å²	97	64.6 Å²	64.6	63%	0.63	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-65	128.1	174.3	25.8	-34.3	0	0	0	110.9
435	L	76.2	Confident	82.6	Confident	42 Å²	42	65.4 Å²	65.4	22%	0.22	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-78.9	146.6	169.7	-61.9	176.5	0	0	0	109.9	L245 M248 A249 V268 Q433 Q437	L245-L435 HydrophobicContact CD2-CD2 4.19Å; M248-L435 HydrophobicContact CB-CD2 3.81Å; A249-L435 HydrophobicContact CB-CB 4.25Å; V268-L435 HydrophobicContact CG2-CD2 4.11Å; Q433-L435 PolarHBondContact O-N 3.03Å; L435-Q437 PolarHBondContact O-N 2.84Å
436	P	75.6	Confident	82.4	Confident	49 Å²	49	65.8 Å²	65.8	32%	0.318	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-60.6	135.6	178.3	23.7	-33.7	0	0	0	111.8	L245 A249	L245-P436 VanDerWaalsContact O-CD 3.31Å; L245-P436 WeakPolarHBondContact O-CD 3.49Å; A249-P436 HydrophobicContact CB-CG 3.89Å
437	Q	71.1	Confident	82.4	Confident	186 Å²	186	65.2 Å²	65.2	87%	0.869	36%	0.362	S	S	*	.			trans	-85.3	-31.2	173.1	-62.4	-173	7.6	0	0	114.7	L435	L435-Q437 PolarHBondContact O-N 2.84Å
438	P	74.9	Confident	82.5	Confident	80 Å²	80	65.1 Å²	65.1	52%	0.519	36%	0.36	S	S	.	.	S	Bend	trans	-59	145.8	173.2	-25.3	35.6	0	0	0	112.2
439	L	81.5	Confident	82.6	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.12	33%	0.333	C	S	.	.			trans	-70.4	139.9	175.3	-56.6	177	0	0	0	109.7	G441 T442 D493 Y502 L504	L439-G441 VanDerWaalsContact C-N 3.29Å; L439-G441 PolarHBondContact O-N 2.84Å; L439-G441 VanDerWaalsContact O-N 3.13Å; L439-T442 HydrophobicContact CB-CG2 4.4Å; L439-T442 WeakPolarHBondContact O-CB 3.16Å; L439-T442 PolarHBondContact O-N 3.21Å; L439-T442 PolarHBondContact O-OG1 3.19Å; L439-D493 CarbonylContact C-O 3.52Å; L439-D493 HydrophobicContact CB-CB 4.21Å; L439-D493 VanDerWaalsContact CB-O 3.25Å; L439-D493 WeakPolarHBondContact CB-O 3.47Å; L439-D493 HydrophobicContact CD1-CB 4.42Å; L439-D493 HydrophobicContact CD2-CB 4.32Å; L439-Y502 HydrophobicContact CD1-CE2 4.3Å; L439-L504 HydrophobicContact CD1-CD1 3.83Å
440	P	84	Confident	82.7	Confident	10 Å²	10	58 Å²	58	7%	0.065	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-56.5	-38.3	-168.5	-24.1	31.3	0	0	0	114.3	T246 V250 L355 T442 V443 Y444 A492	T246-P440 HydrophobicContact CG2-CB 3.57Å; T246-P440 HydrophobicContact CG2-CG 3.74Å; V250-P440 HydrophobicContact CG2-CG 3.5Å; V250-P440 VanDerWaalsContact CG2-CG 3.5Å; L355-P440 HydrophobicContact CD1-CB 4.19Å; P440-T442 PolarHBondContact O-N 2.97Å; P440-T442 VanDerWaalsContact O-N 3.14Å; P440-V443 PolarHBondContact O-N 2.86Å; P440-Y444 WeakPolarHBondContact O-CD2 3.13Å; P440-Y444 PolarHBondContact O-N 3.24Å; P440-A492 HydrophobicContact CB-CB 4.14Å
441	G	85.1	Confident	83.1	Confident	8 Å²	8	58.1 Å²	58.1	8%	0.082	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-67.3	-8.3	178	0	0	0	0	0	115.4	L439 Y444 D493 G494 T495	L439-G441 VanDerWaalsContact C-N 3.29Å; L439-G441 PolarHBondContact O-N 2.84Å; L439-G441 VanDerWaalsContact O-N 3.13Å; G441-Y444 WeakPolarHBondContact CA-O 3.19Å; G441-D493 WeakPolarHBondContact CA-O 3.36Å; G441-D493 PolarHBondContact N-O 3.44Å; G441-G494 CarbonylContact C-O 3.47Å; G441-T495 WeakPolarHBondContact CA-OG1 3.32Å
442	T	85.1	Confident	83.6	Confident	89 Å²	89	53.2 Å²	53.2	55%	0.546	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-82.7	-16.2	168.1	66	0	0	0	0	113	L439 P440	L439-T442 HydrophobicContact CB-CG2 4.4Å; L439-T442 WeakPolarHBondContact O-CB 3.16Å; L439-T442 PolarHBondContact O-N 3.21Å; L439-T442 PolarHBondContact O-OG1 3.19Å; P440-T442 PolarHBondContact O-N 2.97Å; P440-T442 VanDerWaalsContact O-N 3.14Å
443	V	84.9	Confident	83.8	Confident	73 Å²	73	51.7 Å²	51.7	44%	0.442	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-33.3	177.4	-178.1	0	0	0	0	111.1	P440 Q448	P440-V443 PolarHBondContact O-N 2.86Å; V443-Q448 PolarHBondContact O-NE2 3.06Å; V443-Q448 PolarHBondContact O-OE1 3.38Å
444	Y	86.6	Confident	84.1	Confident	24 Å²	24	51 Å²	51	9%	0.094	28%	0.278	C	S	.	.	S	Bend	trans	-120.2	102.7	-177.3	-57.3	-81	0	0	0	110.3	Y243 T246 L355 P440 G441 Q448 Q449 L452	Y243-Y444 WeakPolarHBondContact CA-OH 3.05Å; Y243-Y444 HydrophobicContact CD2-CE1 4.46Å; T246-Y444 HydrophobicContact CG2-CD2 4.47Å; T246-Y444 HydrophobicContact CG2-CE2 4Å; L355-Y444 HydrophobicContact CD1-CD2 4.05Å; L355-Y444 HydrophobicContact CD1-CG 4.15Å; L355-Y444 HydrophobicContact CD2-CD2 4.19Å; L355-Y444 HydrophobicContact CD2-CE2 4.28Å; P440-Y444 WeakPolarHBondContact O-CD2 3.13Å; P440-Y444 PolarHBondContact O-N 3.24Å; G441-Y444 WeakPolarHBondContact CA-O 3.19Å; Y444-Q448 HydrophobicContact CD1-CB 4.45Å; Y444-Q449 PolarHBondContact O-NE2 2.86Å; Y444-L452 HydrophobicContact CD1-CD1 3.77Å; Y444-L452 HydrophobicContact CE1-CD1 4.14Å; Y444-L452 HydrophobicContact CG-CD1 4.43Å
445	S	89.8	Confident	84.2	Confident	42 Å²	42	47 Å²	47	29%	0.294	26%	0.255	S	S	.	.			trans	-60.8	168.4	172.5	78.8	0	0	0	0	112.5	D447 Q448 Q449	S445-D447 PolarHBondContact O-N 2.7Å; S445-D447 PolarHBondContact OG-N 2.85Å; S445-Q448 CarbonylContact O-C 3.53Å; S445-Q448 WeakPolarHBondContact O-CA 3.43Å; S445-Q448 WeakPolarHBondContact O-CB 3.4Å; S445-Q448 PolarHBondContact O-N 3.27Å; S445-Q448 PolarHBondContact OG-N 3.04Å; S445-Q448 PolarHBondContact OG-OE1 2.99Å; S445-Q449 WeakPolarHBondContact O-CG 3.24Å; S445-Q449 PolarHBondContact O-N 3.32Å; S445-Q449 PolarHBondContact O-NE2 3.14Å
446	A	89.4	Confident	84.4	Confident	10 Å²	10	48.8 Å²	48.8	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-54.9	-40.2	174.5	0	0	0	0	0	112.2	Q448 Q449 C450 H460 L471 W491 T495	A446-Q448 PolarHBondContact O-N 2.89Å; A446-Q449 PolarHBondContact O-N 2.86Å; A446-C450 PolarHBondContact O-N 2Å; A446-C450 PolarHBondContact O-SG 2.8Å; A446-H460 HydrophobicContact CB-CB 3.85Å; A446-L471 HydrophobicContact CB-CD1 4.18Å; A446-W491 HydrophobicContact CB-CE3 4.34Å; A446-W491 HydrophobicContact CB-CZ3 4.22Å; A446-T495 HydrophobicContact CB-CG2 4.27Å
447	D	90.2	Very high	84.8	Confident	63 Å²	63	51.4 Å²	51.4	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-28.2	173.9	-54.7	-68.1	0	0	0	113.6	S445 R451 H460	S445-D447 PolarHBondContact O-N 2.7Å; S445-D447 PolarHBondContact OG-N 2.85Å; D447-R451 WeakPolarHBondContact O-CB 3.11Å; D447-R451 WeakPolarHBondContact O-CG 3.33Å; D447-R451 PolarHBondContact O-N 3.29Å; D447-R451 PolarHBondContact O-NE 3.45Å; D447-H460 WeakPolarHBondContact OD1-CB 3.45Å; D447-H460 PolarHBondContact OD1-N 2.87Å
448	Q	90.1	Very high	85.5	Confident	75 Å²	75	42.7 Å²	42.7	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-74.5	-37.8	172.2	-69.8	168.9	-79.7	0	0	110.8	V443 Y444 S445 A446 R451 L452	V443-Q448 PolarHBondContact O-NE2 3.06Å; V443-Q448 PolarHBondContact O-OE1 3.38Å; Y444-Q448 HydrophobicContact CD1-CB 4.45Å; S445-Q448 CarbonylContact O-C 3.53Å; S445-Q448 WeakPolarHBondContact O-CA 3.43Å; S445-Q448 WeakPolarHBondContact O-CB 3.4Å; S445-Q448 PolarHBondContact O-N 3.27Å; S445-Q448 PolarHBondContact OG-N 3.04Å; S445-Q448 PolarHBondContact OG-OE1 2.99Å; A446-Q448 PolarHBondContact O-N 2.89Å; Q448-R451 VanDerWaalsContact CG-NH2 3.32Å; Q448-R451 PolarHBondContact O-N 3.48Å; Q448-L452 WeakPolarHBondContact O-CD1 3.42Å; Q448-L452 VanDerWaalsContact O-CG 3.26Å; Q448-L452 WeakPolarHBondContact O-CG 3.41Å; Q448-L452 PolarHBondContact O-N 3.45Å
449	Q	89.3	Confident	86.3	Confident	9 Å²	9	44.8 Å²	44.8	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-48.6	174.2	-67.1	167.3	57.4	0	0	110.7	L355 Y444 S445 A446 R451 L452 T453 L471 T495	L355-Q449 HydrophobicContact CD1-CG 3.97Å; Y444-Q449 PolarHBondContact O-NE2 2.86Å; S445-Q449 WeakPolarHBondContact O-CG 3.24Å; S445-Q449 PolarHBondContact O-N 3.32Å; S445-Q449 PolarHBondContact O-NE2 3.14Å; A446-Q449 PolarHBondContact O-N 2.86Å; Q449-R451 VanDerWaalsContact C-N 3.31Å; Q449-R451 PolarHBondContact O-N 3.01Å; Q449-L452 PolarHBondContact O-N 2.6Å; Q449-T453 PolarHBondContact O-N 2.97Å; Q449-T453 VanDerWaalsContact O-N 3.16Å; Q449-L471 HydrophobicContact CB-CD2 3.55Å; Q449-T495 PolarHBondContact NE2-OG1 3.06Å
450	C	89.6	Confident	86.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-40.3	174	-71.5	0	0	0	0	113	A446 T453 F454 C473	A446-C450 PolarHBondContact O-N 2Å; A446-C450 PolarHBondContact O-SG 2.8Å; C450-T453 PolarHBondContact O-N 3.05Å; C450-F454 PolarHBondContact O-N 3.18Å; C450-C473 WeakPolarHBondContact CA-SG 2.95Å; C450-C473 HydrophobicContact CB-CB 3.64Å; C450-C473 WeakPolarHBondContact CB-SG 3.34Å; C450-C473 VanDerWaalsContact SG-CA 3.56Å; C450-C473 WeakPolarHBondContact SG-CB 3.38Å; C450-C473 CovalentContact SG-SG 2.04Å; C450-C473 PolarHBondContact SG-SG 2.76Å
451	R	89.6	Confident	86.9	Confident	100 Å²	100	45.7 Å²	45.7	38%	0.377	24%	0.239	S	C	.	.	H	α-helix	trans	-70.9	-29.5	179	-73.4	-178.8	-72.5	159.6	-8.4	114.6	D447 Q448 Q449 G455 E456 S458	D447-R451 WeakPolarHBondContact O-CB 3.11Å; D447-R451 WeakPolarHBondContact O-CG 3.33Å; D447-R451 PolarHBondContact O-N 3.29Å; D447-R451 PolarHBondContact O-NE 3.45Å; Q448-R451 VanDerWaalsContact CG-NH2 3.32Å; Q448-R451 PolarHBondContact O-N 3.48Å; Q449-R451 VanDerWaalsContact C-N 3.31Å; Q449-R451 PolarHBondContact O-N 3.01Å; R451-G455 WeakPolarHBondContact CA-O 3.14Å; R451-G455 CarbonylContact O-C 3.56Å; R451-G455 VanDerWaalsContact O-C 3.26Å; R451-G455 WeakPolarHBondContact O-CA 3.1Å; R451-G455 PolarHBondContact O-N 3.44Å; R451-G455 VanDerWaalsContact O-N 3.1Å; R451-E456 WeakPolarHBondContact CD-O 3.19Å; R451-E456 WeakPolarHBondContact CG-O 3.45Å; R451-S458 WeakPolarHBondContact CG-O 3.39Å
452	L	86.7	Confident	86.4	Confident	21 Å²	21	51.1 Å²	51.1	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-44.1	173.7	-71.3	162.1	0	0	0	110.8	Y243 L355 Y444 Q448 Q449	Y243-L452 HydrophobicContact CD2-CD1 4.49Å; Y243-L452 HydrophobicContact CD2-CD2 4.28Å; Y243-L452 HydrophobicContact CE2-CD1 4.04Å; Y243-L452 HydrophobicContact CE2-CD2 3.9Å; L355-L452 HydrophobicContact CG-CD1 4.28Å; Y444-L452 HydrophobicContact CD1-CD1 3.77Å; Y444-L452 HydrophobicContact CE1-CD1 4.14Å; Y444-L452 HydrophobicContact CG-CD1 4.43Å; Q448-L452 WeakPolarHBondContact O-CD1 3.42Å; Q448-L452 VanDerWaalsContact O-CG 3.26Å; Q448-L452 WeakPolarHBondContact O-CG 3.41Å; Q448-L452 PolarHBondContact O-N 3.45Å; Q449-L452 PolarHBondContact O-N 2.6Å
453	T	83.9	Confident	85.6	Confident	16 Å²	16	49.4 Å²	49.4	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-80.3	-45.5	-177.2	-58.6	0	0	0	0	114.1	D353 Q356 Q449 C450 K487	D353-T453 VanDerWaalsContact O-CA 3.25Å; D353-T453 WeakPolarHBondContact O-CA 3.34Å; D353-T453 WeakPolarHBondContact O-CB 3.21Å; D353-T453 WeakPolarHBondContact O-CG2 3.21Å; D353-T453 PolarHBondContact O-OG1 3.39Å; Q356-T453 PolarHBondContact NE2-OG1 2.86Å; Q356-T453 PolarHBondContact OE1-OG1 3.28Å; Q449-T453 PolarHBondContact O-N 2.97Å; Q449-T453 VanDerWaalsContact O-N 3.16Å; C450-T453 PolarHBondContact O-N 3.05Å; T453-K487 HydrophobicContact CG2-CD 3.97Å
454	F	83.4	Confident	84.5	Confident	54 Å²	54	53.5 Å²	53.5	24%	0.237	28%	0.279	C	S	.	.	H	α-helix	trans	-111.5	3.3	-172.7	-59.6	-82.8	0	0	0	114.1	C450 C473 V475 Q485 K487	C450-F454 PolarHBondContact O-N 3.18Å; F454-C473 HydrophobicContact CD2-CB 3.45Å; F454-C473 VanDerWaalsContact CD2-CB 3.45Å; F454-C473 HydrophobicContact CE2-CB 3.61Å; F454-C473 HydrophobicContact CG-CB 4.33Å; F454-V475 HydrophobicContact CB-CG2 4.09Å; F454-V475 HydrophobicContact CD1-CG2 3.58Å; F454-V475 HydrophobicContact CE1-CG2 4.14Å; F454-V475 HydrophobicContact CG-CG2 3.9Å; F454-Q485 HydrophobicContact CE1-CB 4.33Å; F454-Q485 HydrophobicContact CE1-CG 4.28Å; F454-K487 HydrophobicContact CE1-CG 4.46Å; F454-K487 HydrophobicContact CZ-CG 4.07Å
455	G	81.9	Confident	83.9	Confident	14 Å²	14	57.3 Å²	57.3	14%	0.144	31%	0.309	C	S	.	.			trans	92.9	160	178.8	0	0	0	0	0	114.5	R451 D457 S458	R451-G455 WeakPolarHBondContact CA-O 3.14Å; R451-G455 CarbonylContact O-C 3.56Å; R451-G455 VanDerWaalsContact O-C 3.26Å; R451-G455 WeakPolarHBondContact O-CA 3.1Å; R451-G455 PolarHBondContact O-N 3.44Å; R451-G455 VanDerWaalsContact O-N 3.1Å; G455-D457 PolarHBondContact O-N 2.98Å; G455-S458 VanDerWaalsContact O-CB 3.26Å; G455-S458 WeakPolarHBondContact O-CB 3.25Å; G455-S458 PolarHBondContact O-N 3.05Å
456	E	80.2	Confident	83.4	Confident	78 Å²	78	57.1 Å²	57.1	36%	0.364	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-24.4	-168.5	-71.4	168	-128.2	0	0	116.5	R169 R451 S458	R169-E456 IonicContact CZ-OE1 3.15Å; R169-E456 VanDerWaalsContact CZ-OE1 3.28Å; R169-E456 IonicContact CZ-OE2 3.28Å; R169-E456 IonicContact NE-OE1 2.96Å; R169-E456 PolarHBondContact NE-OE1 2.77Å; R169-E456 VanDerWaalsContact NE-OE1 3.15Å; R169-E456 IonicContact NE-OE2 2.68Å; R169-E456 PolarHBondContact NE-OE2 2.8Å; R169-E456 IonicContact NH2-OE1 3.94Å; R169-E456 PolarHBondContact NH2-OE1 2.86Å; R169-E456 IonicContact NH2-OE2 2.68Å; R451-E456 WeakPolarHBondContact CD-O 3.19Å; R451-E456 WeakPolarHBondContact CG-O 3.45Å; E456-S458 VanDerWaalsContact C-N 3.29Å
457	D	82.5	Confident	83.3	Confident	105 Å²	105	58.3 Å²	58.3	56%	0.561	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.3	-179.5	-55.9	-79	0	0	0	112.8	R169 G455	R169-D457 IonicContact CZ-OD2 2.81Å; R169-D457 IonicContact NH1-OD2 2.79Å; R169-D457 PolarHBondContact NH1-OD2 2.83Å; G455-D457 PolarHBondContact O-N 2.98Å
458	S	87.4	Confident	83.1	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.021	30%	0.296	C	S	.	.			trans	-83	144.3	179	-165.5	0	0	0	0	113.2	R451 G455 E456 T474	R451-S458 WeakPolarHBondContact CG-O 3.39Å; G455-S458 VanDerWaalsContact O-CB 3.26Å; G455-S458 WeakPolarHBondContact O-CB 3.25Å; G455-S458 PolarHBondContact O-N 3.05Å; E456-S458 VanDerWaalsContact C-N 3.29Å; S458-T474 WeakPolarHBondContact CA-O 3.24Å; S458-T474 WeakPolarHBondContact CB-O 3.44Å; S458-T474 PolarHBondContact OG-O 3.24Å
459	Q	90.6	Very high	82.8	Confident	123 Å²	123	54.5 Å²	54.5	58%	0.575	30%	0.302	S	S	*	.			trans	-135.7	160.9	-179	-61.2	-179.1	12.6	0	0	110.1	C461 C473 T474	Q459-C461 PolarHBondContact O-N 2.93Å; Q459-C473 CarbonylContact O-C 3.54Å; Q459-C473 VanDerWaalsContact O-CA 3.32Å; Q459-C473 WeakPolarHBondContact O-CA 3.26Å; Q459-T474 PolarHBondContact N-OG1 2.89Å; Q459-T474 PolarHBondContact O-N 3.23Å; Q459-T474 PolarHBondContact O-OG1 3.25Å
460	H	90.5	Very high	82.6	Confident	47 Å²	47	54.4 Å²	54.4	22%	0.218	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-69.5	127.4	178.9	156.4	-86.1	0	0	0	111.9	A446 D447 W491	A446-H460 HydrophobicContact CB-CB 3.85Å; D447-H460 WeakPolarHBondContact OD1-CB 3.45Å; D447-H460 PolarHBondContact OD1-N 2.87Å; H460-W491 AromaticContact CD2-CH2 3.82Å; H460-W491 AromaticContact CD2-CZ2 3.61Å; H460-W491 AromaticContact NE2-CH2 3.26Å; H460-W491 VanDerWaalsContact NE2-CH2 3.26Å; H460-W491 WeakPolarHBondContact NE2-CH2 3.39Å; H460-W491 AromaticContact NE2-CZ2 3.14Å; H460-W491 WeakPolarHBondContact NE2-CZ2 3.4Å
461	C	88.3	Confident	82.5	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.034	31%	0.307	C	S	.	.			trans	-79	124.8	173.8	-80.7	0	0	0	0	111.3	Q459 D463 W472 T474 C484	Q459-C461 PolarHBondContact O-N 2.93Å; C461-D463 VanDerWaalsContact C-N 3.32Å; C461-D463 PolarHBondContact O-N 3.12Å; C461-W472 HydrophobicContact CB-CB 3.82Å; C461-W472 PolarHBondContact N-O 3.48Å; C461-T474 VanDerWaalsContact SG-CG2 3.56Å; C461-C484 HydrophobicContact CB-CB 3.83Å; C461-C484 WeakPolarHBondContact CB-SG 3.3Å; C461-C484 VanDerWaalsContact SG-CA 3.54Å; C461-C484 WeakPolarHBondContact SG-CB 3.43Å; C461-C484 CovalentContact SG-SG 2.04Å; C461-C484 PolarHBondContact SG-SG 2.95Å
462	P	73.9	Confident	82.5	Confident	123 Å²	123	54.2 Å²	54.2	80%	0.799	30%	0.304	S	S	*	.			trans	-76.1	75.6	-177.5	32.2	-36.4	0	0	0	113.2
463	D	68.6	Low	82.7	Confident	53 Å²	53	53.2 Å²	53.2	28%	0.283	30%	0.298	S	S	.	.			trans	-99.3	119.7	161.7	171.8	40.6	0	0	0	110.8	C461 S465 T466	C461-D463 VanDerWaalsContact C-N 3.32Å; C461-D463 PolarHBondContact O-N 3.12Å; D463-S465 VanDerWaalsContact CG-OG 3.22Å; D463-S465 WeakPolarHBondContact OD1-CB 3.28Å; D463-S465 PolarHBondContact OD1-N 2.73Å; D463-S465 PolarHBondContact OD1-OG 2.78Å; D463-S465 PolarHBondContact OD2-OG 2.69Å; D463-T466 WeakPolarHBondContact OD2-CB 3.29Å; D463-T466 WeakPolarHBondContact OD2-CG2 3.02Å; D463-T466 PolarHBondContact OD2-N 3.49Å; D463-T466 PolarHBondContact OD2-OG1 2.79Å
464	L	62.5	Low	83	Confident	158 Å²	158	54.1 Å²	54.1	83%	0.827	30%	0.304	S	S	*	.	S	Bend	trans	-78.1	-24.7	175.2	-71	168.5	0	0	0	112.6	T466 T467	L464-T466 PolarHBondContact O-N 3.36Å; L464-T467 WeakPolarHBondContact CA-OG1 3.31Å; L464-T467 PolarHBondContact O-OG1 3.38Å
465	S	73.7	Confident	83.2	Confident	104 Å²	104	52.5 Å²	52.5	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-29	-170.4	74	0	0	0	0	113.6	D463	D463-S465 VanDerWaalsContact CG-OG 3.22Å; D463-S465 WeakPolarHBondContact OD1-CB 3.28Å; D463-S465 PolarHBondContact OD1-N 2.73Å; D463-S465 PolarHBondContact OD1-OG 2.78Å; D463-S465 PolarHBondContact OD2-OG 2.69Å
466	T	79.5	Confident	83.3	Confident	38 Å²	38	55.8 Å²	55.8	23%	0.233	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	14.9	178.4	61.4	0	0	0	0	114.5	D463 L464 C468 A469 A470 W472	D463-T466 WeakPolarHBondContact OD2-CB 3.29Å; D463-T466 WeakPolarHBondContact OD2-CG2 3.02Å; D463-T466 PolarHBondContact OD2-N 3.49Å; D463-T466 PolarHBondContact OD2-OG1 2.79Å; L464-T466 PolarHBondContact O-N 3.36Å; T466-C468 PolarHBondContact O-N 3.25Å; T466-A469 WeakPolarHBondContact O-CA 3.24Å; T466-A469 WeakPolarHBondContact O-CB 3.36Å; T466-A469 PolarHBondContact O-N 3.22Å; T466-A470 PolarHBondContact O-N 3.47Å; T466-W472 PolarHBondContact OG1-NE1 2.98Å
467	T	85.9	Confident	83.1	Confident	35 Å²	35	53.5 Å²	53.5	22%	0.215	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44	126.2	178.5	-51.8	0	0	0	0	112.5	L464 A469 W491 C497	L464-T467 WeakPolarHBondContact CA-OG1 3.31Å; L464-T467 PolarHBondContact O-OG1 3.38Å; T467-A469 PolarHBondContact O-N 2.84Å; T467-W491 HydrophobicContact CG2-CH2 4.26Å; T467-W491 HydrophobicContact CG2-CZ2 4.4Å; T467-C497 HydrophobicContact CG2-CB 3.8Å
468	C	86.8	Confident	82.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	-23.2	-171.5	-53.9	0	0	0	0	117	T466 P490 W491 C497 C503 C508	T466-C468 PolarHBondContact O-N 3.25Å; C468-P490 WeakPolarHBondContact O-CA 3.45Å; C468-P490 WeakPolarHBondContact O-CB 3.44Å; C468-W491 PolarHBondContact O-N 2.95Å; C468-C497 VanDerWaalsContact SG-CB 3.54Å; C468-C503 VanDerWaalsContact CA-SG 3.55Å; C468-C503 HydrophobicContact CB-CB 3.7Å; C468-C503 WeakPolarHBondContact CB-SG 3.2Å; C468-C503 WeakPolarHBondContact SG-CA 3.43Å; C468-C503 WeakPolarHBondContact SG-CB 3.18Å; C468-C503 CovalentContact SG-SG 2.04Å; C468-C503 PolarHBondContact SG-SG 2.64Å; C468-C508 PolarHBondContact SG-N 2.91Å
469	A	83.9	Confident	82.4	Confident	58 Å²	58	57.5 Å²	57.5	48%	0.479	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-35.9	-177	0	0	0	0	0	113.2	T466 T467 P490	T466-A469 WeakPolarHBondContact O-CA 3.24Å; T466-A469 WeakPolarHBondContact O-CB 3.36Å; T466-A469 PolarHBondContact O-N 3.22Å; T467-A469 PolarHBondContact O-N 2.84Å; A469-P490 VanDerWaalsContact O-CA 3.3Å; A469-P490 WeakPolarHBondContact O-CA 3.38Å
470	A	85.8	Confident	81.8	Confident	7 Å²	7	54.2 Å²	54.2	6%	0.058	33%	0.333	C	S	.	.			trans	-140.4	134.7	172.2	0	0	0	0	0	110.8	T466 F489 W491	T466-A470 PolarHBondContact O-N 3.47Å; A470-F489 CarbonylContact C-O 3.53Å; A470-F489 WeakPolarHBondContact CA-O 3.31Å; A470-W491 PolarHBondContact O-NE1 3.33Å
471	L	86.5	Confident	81.3	Confident	17 Å²	17	61 Å²	61	9%	0.089	36%	0.356	C	S	.	.			trans	-88	114.1	173.2	-174.4	71.1	0	0	0	109.6	A446 Q449 T486 F489 W491	A446-L471 HydrophobicContact CB-CD1 4.18Å; Q449-L471 HydrophobicContact CB-CD2 3.55Å; L471-T486 VanDerWaalsContact O-CB 3.23Å; L471-T486 WeakPolarHBondContact O-CB 3.05Å; L471-T486 PolarHBondContact O-OG1 3Å; L471-F489 PolarHBondContact N-O 3.27Å; L471-W491 HydrophobicContact CD1-CD2 4.34Å; L471-W491 HydrophobicContact CD1-CG 4.17Å
472	W	89.4	Confident	81.1	Confident	80 Å²	80	65.3 Å²	65.3	30%	0.303	38%	0.382	S	S	.	.			trans	-102.5	134.1	173.5	-67.4	88.9	0	0	0	110.2	C461 T466 C484 Q485 T486	C461-W472 HydrophobicContact CB-CB 3.82Å; C461-W472 PolarHBondContact N-O 3.48Å; T466-W472 PolarHBondContact OG1-NE1 2.98Å; W472-C484 HydrophobicContact CE3-CB 4.23Å; W472-Q485 WeakPolarHBondContact CA-O 3.36Å; W472-T486 HydrophobicContact CD2-CG2 3.93Å; W472-T486 HydrophobicContact CE3-CG2 3.84Å; W472-T486 HydrophobicContact CH2-CG2 3.61Å; W472-T486 HydrophobicContact CZ2-CG2 3.68Å; W472-T486 HydrophobicContact CZ3-CG2 3.69Å
473	C	90.4	Very high	81.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.4	-171.6	-60.6	0	0	0	0	111.2	C450 F454 Q459 V475 C484 Q485	C450-C473 WeakPolarHBondContact CA-SG 2.95Å; C450-C473 HydrophobicContact CB-CB 3.64Å; C450-C473 WeakPolarHBondContact CB-SG 3.34Å; C450-C473 VanDerWaalsContact SG-CA 3.56Å; C450-C473 WeakPolarHBondContact SG-CB 3.38Å; C450-C473 CovalentContact SG-SG 2.04Å; C450-C473 PolarHBondContact SG-SG 2.76Å; F454-C473 HydrophobicContact CD2-CB 3.45Å; F454-C473 VanDerWaalsContact CD2-CB 3.45Å; F454-C473 HydrophobicContact CE2-CB 3.61Å; F454-C473 HydrophobicContact CG-CB 4.33Å; Q459-C473 CarbonylContact O-C 3.54Å; Q459-C473 VanDerWaalsContact O-CA 3.32Å; Q459-C473 WeakPolarHBondContact O-CA 3.26Å; C473-V475 PolarHBondContact O-N 3.34Å; C473-C484 WeakPolarHBondContact O-CA 3.17Å; C473-Q485 PolarHBondContact N-O 2.71Å; C473-Q485 PolarHBondContact O-N 3.03Å
474	T	90.9	Very high	82.6	Confident	34 Å²	34	63.2 Å²	63.2	21%	0.209	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	125.3	177.5	60.9	0	0	0	0	110.6	S458 Q459 C461 V482 V483	S458-T474 WeakPolarHBondContact CA-O 3.24Å; S458-T474 WeakPolarHBondContact CB-O 3.44Å; S458-T474 PolarHBondContact OG-O 3.24Å; Q459-T474 PolarHBondContact N-OG1 2.89Å; Q459-T474 PolarHBondContact O-N 3.23Å; Q459-T474 PolarHBondContact O-OG1 3.25Å; C461-T474 VanDerWaalsContact SG-CG2 3.56Å; T474-V482 HydrophobicContact CG2-CG1 4.09Å; T474-V483 CarbonylContact C-O 3.49Å; T474-V483 WeakPolarHBondContact CA-O 3.34Å
475	V	87.3	Confident	83.8	Confident	20 Å²	20	57.3 Å²	57.3	12%	0.121	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.7	174.4	-179.6	0	0	0	0	108.6	F454 C473 V482 V483 Q485	F454-V475 HydrophobicContact CB-CG2 4.09Å; F454-V475 HydrophobicContact CD1-CG2 3.58Å; F454-V475 HydrophobicContact CE1-CG2 4.14Å; F454-V475 HydrophobicContact CG-CG2 3.9Å; C473-V475 PolarHBondContact O-N 3.34Å; V475-V482 WeakPolarHBondContact O-CA 3.26Å; V475-V483 PolarHBondContact N-O 3.28Å; V475-V483 PolarHBondContact O-N 3.23Å; V475-Q485 HydrophobicContact CB-CB 4.36Å; V475-Q485 HydrophobicContact CG2-CB 3.88Å
476	T	84.1	Confident	84.2	Confident	84 Å²	84	53.9 Å²	53.9	52%	0.515	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.5	176.6	-54.1	0	0	0	0	108.8
477	T	76.6	Confident	84.1	Confident	29 Å²	29	55.3 Å²	55.3	18%	0.178	32%	0.317	C	S	.	.			trans	-59.9	160.4	175.7	55.2	0	0	0	0	112.3	E174 N479 G480 W481 V483	E174-T477 WeakPolarHBondContact OE1-CA 3.37Å; E174-T477 WeakPolarHBondContact OE1-CB 3.39Å; T477-N479 PolarHBondContact O-N 2.81Å; T477-G480 PolarHBondContact O-N 3.11Å; T477-W481 PolarHBondContact N-O 3.26Å; T477-W481 WeakPolarHBondContact OG1-CA 3.49Å; T477-W481 WeakPolarHBondContact OG1-CB 3.37Å; T477-W481 PolarHBondContact OG1-N 3.2Å; T477-W481 PolarHBondContact OG1-O 3.38Å; T477-V483 HydrophobicContact CG2-CG1 3.93Å; T477-V483 HydrophobicContact CG2-CG2 3.81Å
478	S	75.7	Confident	83.6	Confident	65 Å²	65	57.4 Å²	57.4	46%	0.455	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-26.4	171.5	55.8	0	0	0	0	113.5	E174	E174-S478 VanDerWaalsContact CD-OG 3.26Å; E174-S478 PolarHBondContact OE1-N 3.46Å; E174-S478 PolarHBondContact OE1-OG 2.87Å; E174-S478 WeakPolarHBondContact OE2-CB 3.3Å; E174-S478 PolarHBondContact OE2-OG 2.73Å
479	N	78.6	Confident	83.2	Confident	128 Å²	128	58.6 Å²	58.6	68%	0.684	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	3.7	177.7	-66.3	-77.1	0	0	0	114	T477 W481	T477-N479 PolarHBondContact O-N 2.81Å; N479-W481 VanDerWaalsContact C-N 3.35Å; N479-W481 PolarHBondContact O-N 2.79Å
480	G	79.3	Confident	83.3	Confident	54 Å²	54	57.4 Å²	57.4	56%	0.557	32%	0.319	S	S	*	.	S	Bend	trans	81.6	3.1	178.1	0	0	0	0	0	115.6	T477	T477-G480 PolarHBondContact O-N 3.11Å
481	W	79.9	Confident	83.4	Confident	188 Å²	188	58 Å²	58	71%	0.712	32%	0.32	S	S	*	.			trans	-81.6	130.3	174.2	-59.3	93.7	0	0	0	110.4	T477 N479 V483	T477-W481 PolarHBondContact N-O 3.26Å; T477-W481 WeakPolarHBondContact OG1-CA 3.49Å; T477-W481 WeakPolarHBondContact OG1-CB 3.37Å; T477-W481 PolarHBondContact OG1-N 3.2Å; T477-W481 PolarHBondContact OG1-O 3.38Å; N479-W481 VanDerWaalsContact C-N 3.35Å; N479-W481 PolarHBondContact O-N 2.79Å; W481-V483 HydrophobicContact CB-CG1 4.49Å
482	V	82.8	Confident	83.5	Confident	96 Å²	96	58 Å²	58	58%	0.582	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.7	168.2	-177	0	0	0	0	108.6	T474 V475	T474-V482 HydrophobicContact CG2-CG1 4.09Å; V475-V482 WeakPolarHBondContact O-CA 3.26Å
483	V	87.6	Confident	83.5	Confident	63 Å²	63	55.7 Å²	55.7	38%	0.382	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	159.4	177.4	-59.2	0	0	0	0	110.2	T474 V475 T477 W481	T474-V483 CarbonylContact C-O 3.49Å; T474-V483 WeakPolarHBondContact CA-O 3.34Å; V475-V483 PolarHBondContact N-O 3.28Å; V475-V483 PolarHBondContact O-N 3.23Å; T477-V483 HydrophobicContact CG2-CG1 3.93Å; T477-V483 HydrophobicContact CG2-CG2 3.81Å; W481-V483 HydrophobicContact CB-CG1 4.49Å
484	C	88	Confident	83.4	Confident	70 Å²	70	56 Å²	56	47%	0.473	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118	171.3	-66.7	0	0	0	0	109.6	C461 W472 C473	C461-C484 HydrophobicContact CB-CB 3.83Å; C461-C484 WeakPolarHBondContact CB-SG 3.3Å; C461-C484 VanDerWaalsContact SG-CA 3.54Å; C461-C484 WeakPolarHBondContact SG-CB 3.43Å; C461-C484 CovalentContact SG-SG 2.04Å; C461-C484 PolarHBondContact SG-SG 2.95Å; W472-C484 HydrophobicContact CE3-CB 4.23Å; C473-C484 WeakPolarHBondContact O-CA 3.17Å
485	Q	86.6	Confident	83.4	Confident	34 Å²	34	54.6 Å²	54.6	16%	0.159	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.8	177.4	-160	-179	13.2	0	0	109.9	E175 F454 W472 C473 V475	E175-Q485 PolarHBondContact OE1-NE2 3.08Å; F454-Q485 HydrophobicContact CE1-CB 4.33Å; F454-Q485 HydrophobicContact CE1-CG 4.28Å; W472-Q485 WeakPolarHBondContact CA-O 3.36Å; C473-Q485 PolarHBondContact N-O 2.71Å; C473-Q485 PolarHBondContact O-N 3.03Å; V475-Q485 HydrophobicContact CB-CB 4.36Å; V475-Q485 HydrophobicContact CG2-CB 3.88Å
486	T	83.4	Confident	83.6	Confident	31 Å²	31	57.8 Å²	57.8	19%	0.19	33%	0.334	C	S	.	.			trans	-140.3	150.7	170.8	-172.3	0	0	0	0	110.1	L471 W472 N488	L471-T486 VanDerWaalsContact O-CB 3.23Å; L471-T486 WeakPolarHBondContact O-CB 3.05Å; L471-T486 PolarHBondContact O-OG1 3Å; W472-T486 HydrophobicContact CD2-CG2 3.93Å; W472-T486 HydrophobicContact CE3-CG2 3.84Å; W472-T486 HydrophobicContact CH2-CG2 3.61Å; W472-T486 HydrophobicContact CZ2-CG2 3.68Å; W472-T486 HydrophobicContact CZ3-CG2 3.69Å; T486-N488 VanDerWaalsContact C-N 3.3Å; T486-N488 PolarHBondContact OG1-N 2.91Å
487	K	76	Confident	83.9	Confident	69 Å²	69	55.1 Å²	55.1	30%	0.3	32%	0.319	S	S	.	.			trans	-94.7	15.8	163.7	-70.8	-172.6	169.8	-173.1	0	112.3	D353 T453 F454 F489	D353-K487 IonicContact OD1-NZ 2.61Å; D353-K487 PolarHBondContact OD1-NZ 3.02Å; D353-K487 WeakPolarHBondContact OD2-CD 3.2Å; D353-K487 IonicContact OD2-NZ 2.64Å; D353-K487 PolarHBondContact OD2-NZ 3.05Å; T453-K487 HydrophobicContact CG2-CD 3.97Å; F454-K487 HydrophobicContact CE1-CG 4.46Å; F454-K487 HydrophobicContact CZ-CG 4.07Å; K487-F489 HydrophobicContact CB-CD2 3.7Å; K487-F489 HydrophobicContact CB-CE2 3.84Å; K487-F489 WeakPolarHBondContact O-CD2 3.39Å; K487-F489 WeakPolarHBondContact O-CE2 3.37Å; K487-F489 PolarHBondContact O-N 2.84Å
488	N	76.7	Confident	84.3	Confident	78 Å²	78	55.5 Å²	55.5	42%	0.417	33%	0.328	S	S	.	.	S	Bend	trans	61.4	20.8	179.7	-151.4	61.4	0	0	0	115.6	S397 T486	S397-N488 PolarHBondContact O-ND2 3.32Å; T486-N488 VanDerWaalsContact C-N 3.3Å; T486-N488 PolarHBondContact OG1-N 2.91Å
489	F	78.2	Confident	84.8	Confident	25 Å²	25	60.4 Å²	60.4	11%	0.11	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-87.9	142.4	174.3	-67.1	-68.8	0	0	0	112.3	Q356 F359 L396 A470 L471 K487	Q356-F489 HydrophobicContact CB-CD1 4.01Å; Q356-F489 HydrophobicContact CB-CD2 3.78Å; Q356-F489 HydrophobicContact CB-CE1 4.16Å; Q356-F489 HydrophobicContact CB-CE2 3.94Å; Q356-F489 HydrophobicContact CB-CG 3.83Å; Q356-F489 HydrophobicContact CB-CZ 4.14Å; Q356-F489 HydrophobicContact CG-CD2 3.74Å; Q356-F489 HydrophobicContact CG-CE2 3.65Å; Q356-F489 HydrophobicContact CG-CG 4.33Å; Q356-F489 HydrophobicContact CG-CZ 4.15Å; F359-F489 HydrophobicContact CD2-CD1 4.38Å; L396-F489 HydrophobicContact CB-CZ 4.32Å; L396-F489 HydrophobicContact CD2-CE1 4.03Å; L396-F489 HydrophobicContact CD2-CZ 3.99Å; L396-F489 HydrophobicContact CG-CE1 4.07Å; L396-F489 HydrophobicContact CG-CZ 4.25Å; L396-F489 VanDerWaalsContact O-CE1 3.23Å; L396-F489 WeakPolarHBondContact O-CE1 3.48Å; A470-F489 CarbonylContact C-O 3.53Å; A470-F489 WeakPolarHBondContact CA-O 3.31Å; L471-F489 PolarHBondContact N-O 3.27Å; K487-F489 HydrophobicContact CB-CD2 3.7Å; K487-F489 HydrophobicContact CB-CE2 3.84Å; K487-F489 WeakPolarHBondContact O-CD2 3.39Å; K487-F489 WeakPolarHBondContact O-CE2 3.37Å; K487-F489 PolarHBondContact O-N 2.84Å
490	P	85.4	Confident	85.1	Confident	33 Å²	33	59.5 Å²	59.5	21%	0.214	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-69	160.8	173.9	29.2	-34.6	0	0	0	112	Q401 C468 A469	Q401-P490 VanDerWaalsContact NE2-CG 3.28Å; C468-P490 WeakPolarHBondContact O-CA 3.45Å; C468-P490 WeakPolarHBondContact O-CB 3.44Å; A469-P490 VanDerWaalsContact O-CA 3.3Å; A469-P490 WeakPolarHBondContact O-CA 3.38Å
491	W	88.5	Confident	85.7	Confident	21 Å²	21	58.2 Å²	58.2	8%	0.08	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-69	147.9	176.8	-56.7	19.5	0	0	0	109.5	A446 H460 T467 C468 A470 L471 T495 C503	A446-W491 HydrophobicContact CB-CE3 4.34Å; A446-W491 HydrophobicContact CB-CZ3 4.22Å; H460-W491 AromaticContact CD2-CH2 3.82Å; H460-W491 AromaticContact CD2-CZ2 3.61Å; H460-W491 AromaticContact NE2-CH2 3.26Å; H460-W491 VanDerWaalsContact NE2-CH2 3.26Å; H460-W491 WeakPolarHBondContact NE2-CH2 3.39Å; H460-W491 AromaticContact NE2-CZ2 3.14Å; H460-W491 WeakPolarHBondContact NE2-CZ2 3.4Å; T467-W491 HydrophobicContact CG2-CH2 4.26Å; T467-W491 HydrophobicContact CG2-CZ2 4.4Å; C468-W491 PolarHBondContact O-N 2.95Å; A470-W491 PolarHBondContact O-NE1 3.33Å; L471-W491 HydrophobicContact CD1-CD2 4.34Å; L471-W491 HydrophobicContact CD1-CG 4.17Å; W491-T495 HydrophobicContact CE3-CG2 3.67Å; W491-T495 HydrophobicContact CZ3-CG2 4.23Å; W491-C503 HydrophobicContact CB-CB 4.42Å
492	A	89.1	Confident	86.2	Confident	16 Å²	16	51.8 Å²	51.8	13%	0.132	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-59.2	141.3	-179.5	0	0	0	0	0	112.9	L355 P440 G494 T495	L355-A492 HydrophobicContact CD1-CB 4.03Å; P440-A492 HydrophobicContact CB-CB 4.14Å; A492-G494 PolarHBondContact O-N 3.16Å; A492-T495 WeakPolarHBondContact O-CB 3.17Å; A492-T495 PolarHBondContact O-N 3.43Å; A492-T495 PolarHBondContact O-OG1 3.2Å
493	D	87.9	Confident	86.6	Confident	31 Å²	31	47.2 Å²	47.2	17%	0.166	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	130.9	169.8	-88.5	-7.3	0	0	0	110	R253 L439 G441 C503 L504 A505	R253-D493 IonicContact CZ-OD2 3.21Å; R253-D493 IonicContact NE-OD2 3.28Å; R253-D493 IonicContact NH2-OD2 2.79Å; R253-D493 PolarHBondContact NH2-OD2 2.93Å; L439-D493 CarbonylContact C-O 3.52Å; L439-D493 HydrophobicContact CB-CB 4.21Å; L439-D493 VanDerWaalsContact CB-O 3.25Å; L439-D493 WeakPolarHBondContact CB-O 3.47Å; L439-D493 HydrophobicContact CD1-CB 4.42Å; L439-D493 HydrophobicContact CD2-CB 4.32Å; G441-D493 WeakPolarHBondContact CA-O 3.36Å; G441-D493 PolarHBondContact N-O 3.44Å; D493-C503 CarbonylContact C-O 3.48Å; D493-L504 HydrophobicContact CB-CD1 4.23Å; D493-L504 WeakPolarHBondContact OD1-CA 3.46Å; D493-A505 PolarHBondContact OD1-N 2.89Å
494	G	89.1	Confident	86.5	Confident	8 Å²	8	44.6 Å²	44.6	8%	0.082	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-8.6	-177.9	0	0	0	0	0	115.9	G441 A492 S496 C503	G441-G494 CarbonylContact C-O 3.47Å; A492-G494 PolarHBondContact O-N 3.16Å; G494-S496 PolarHBondContact O-N 3.14Å; G494-C503 PolarHBondContact N-O 2.8Å
495	T	91.8	Very high	86.1	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.018	24%	0.243	C	C	.	.			trans	-66.8	130.9	-179.4	-48.4	0	0	0	0	110.6	G441 A446 Q449 W491 A492 C497 Y502 C503	G441-T495 WeakPolarHBondContact CA-OG1 3.32Å; A446-T495 HydrophobicContact CB-CG2 4.27Å; Q449-T495 PolarHBondContact NE2-OG1 3.06Å; W491-T495 HydrophobicContact CE3-CG2 3.67Å; W491-T495 HydrophobicContact CZ3-CG2 4.23Å; A492-T495 WeakPolarHBondContact O-CB 3.17Å; A492-T495 PolarHBondContact O-N 3.43Å; A492-T495 PolarHBondContact O-OG1 3.2Å; T495-C497 PolarHBondContact O-N 3.46Å; T495-Y502 CarbonylContact O-C 3.49Å; T495-Y502 VanDerWaalsContact O-CA 3.22Å; T495-Y502 WeakPolarHBondContact O-CA 3.45Å; T495-Y502 WeakPolarHBondContact O-CB 3.44Å; T495-C503 PolarHBondContact O-N 2.79Å
496	S	91	Very high	86	Confident	87 Å²	87	42.4 Å²	42.4	61%	0.608	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	129.1	176.9	-173.1	0	0	0	0	111.6	G494	G494-S496 PolarHBondContact O-N 3.14Å
497	C	90.1	Very high	86.1	Confident	29 Å²	29	46.5 Å²	46.5	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-2.1	-177.9	61.4	0	0	0	0	113.7	T467 C468 T495 S501 Y502 C508	T467-C497 HydrophobicContact CG2-CB 3.8Å; C468-C497 VanDerWaalsContact SG-CB 3.54Å; T495-C497 PolarHBondContact O-N 3.46Å; C497-S501 PolarHBondContact N-O 3.3Å; C497-S501 PolarHBondContact SG-O 2.82Å; C497-Y502 WeakPolarHBondContact SG-CA 3.43Å; C497-Y502 PolarHBondContact SG-N 2.95Å; C497-C508 HydrophobicContact CB-CB 3.84Å; C497-C508 WeakPolarHBondContact CB-SG 3.4Å; C497-C508 WeakPolarHBondContact SG-CA 3.34Å; C497-C508 WeakPolarHBondContact SG-CB 2.82Å; C497-C508 CovalentContact SG-SG 2.03Å; C497-C508 PolarHBondContact SG-SG 3.49Å
498	G	85.6	Confident	86.8	Confident	36 Å²	36	45.8 Å²	45.8	37%	0.371	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-179.2	179.1	0	0	0	0	0	112	E500 S501	G498-E500 PolarHBondContact O-N 3.31Å; G498-E500 VanDerWaalsContact O-N 3.15Å; G498-S501 PolarHBondContact N-O 2.88Å; G498-S501 PolarHBondContact O-N 3.31Å; G498-S501 VanDerWaalsContact O-N 3.13Å
499	H	85.1	Confident	87.5	Confident	169 Å²	169	42.3 Å²	42.3	78%	0.782	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	120.2	176.5	-168.2	-84.9	0	0	0	110.2	S501	H499-S501 PolarHBondContact O-N 3.1Å; H499-S501 PolarHBondContact O-OG 3.38Å
500	E	85.6	Confident	88.2	Confident	109 Å²	109	43.9 Å²	43.9	51%	0.509	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	29.7	-173.5	-60.4	-166.6	104.8	0	0	115.3	G498 K511	G498-E500 PolarHBondContact O-N 3.31Å; G498-E500 VanDerWaalsContact O-N 3.15Å; E500-K511 HydrophobicContact CB-CD 4.23Å; E500-K511 HydrophobicContact CB-CG 4.47Å; E500-K511 PolarHBondContact O-N 2.66Å; E500-K511 WeakPolarHBondContact OE1-CE 3.42Å; E500-K511 IonicContact OE1-NZ 3.23Å; E500-K511 PolarHBondContact OE1-NZ 3.2Å
501	S	91.1	Very high	88.2	Confident	26 Å²	26	48 Å²	48	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139	-175.6	-54.5	0	0	0	0	111.5	C497 G498 H499 L509	C497-S501 PolarHBondContact N-O 3.3Å; C497-S501 PolarHBondContact SG-O 2.82Å; G498-S501 PolarHBondContact N-O 2.88Å; G498-S501 PolarHBondContact O-N 3.31Å; G498-S501 VanDerWaalsContact O-N 3.13Å; H499-S501 PolarHBondContact O-N 3.1Å; H499-S501 PolarHBondContact O-OG 3.38Å; S501-L509 CarbonylContact C-O 3.58Å; S501-L509 WeakPolarHBondContact CA-O 3.35Å; S501-L509 WeakPolarHBondContact CB-O 3.41Å
502	Y	92	Very high	88.1	Confident	53 Å²	53	51.6 Å²	51.6	21%	0.208	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.7	-178	57.5	-93	0	0	0	112.7	L439 T495 C497 L509 A514 Q518	L439-Y502 HydrophobicContact CD1-CE2 4.3Å; T495-Y502 CarbonylContact O-C 3.49Å; T495-Y502 VanDerWaalsContact O-CA 3.22Å; T495-Y502 WeakPolarHBondContact O-CA 3.45Å; T495-Y502 WeakPolarHBondContact O-CB 3.44Å; C497-Y502 WeakPolarHBondContact SG-CA 3.43Å; C497-Y502 PolarHBondContact SG-N 2.95Å; Y502-L509 PolarHBondContact N-O 2.91Å; Y502-L509 PolarHBondContact O-N 3Å; Y502-A514 HydrophobicContact CE1-CB 4.01Å; Y502-A514 HydrophobicContact CE2-CB 3.68Å; Y502-A514 VanDerWaalsContact OH-CB 3.22Å; Y502-A514 WeakPolarHBondContact OH-CB 3.25Å; Y502-Q518 PolarHBondContact OH-NE2 3.37Å
503	C	89.3	Confident	88	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.9	178.5	-59.7	0	0	0	0	111	C468 W491 D493 G494 T495 R507	C468-C503 VanDerWaalsContact CA-SG 3.55Å; C468-C503 HydrophobicContact CB-CB 3.7Å; C468-C503 WeakPolarHBondContact CB-SG 3.2Å; C468-C503 WeakPolarHBondContact SG-CA 3.43Å; C468-C503 WeakPolarHBondContact SG-CB 3.18Å; C468-C503 CovalentContact SG-SG 2.04Å; C468-C503 PolarHBondContact SG-SG 2.64Å; W491-C503 HydrophobicContact CB-CB 4.42Å; D493-C503 CarbonylContact C-O 3.48Å; G494-C503 PolarHBondContact N-O 2.8Å; T495-C503 PolarHBondContact O-N 2.79Å; C503-R507 CarbonylContact C-O 3.53Å; C503-R507 WeakPolarHBondContact CA-O 3.34Å
504	L	86.7	Confident	87.7	Confident	9 Å²	9	53.4 Å²	53.4	5%	0.047	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	126.1	171.2	-164.9	70.4	0	0	0	108.9	L439 D493 G506 R507 L509 A514 H517 Q518	L439-L504 HydrophobicContact CD1-CD1 3.83Å; D493-L504 HydrophobicContact CB-CD1 4.23Å; D493-L504 WeakPolarHBondContact OD1-CA 3.46Å; L504-G506 VanDerWaalsContact C-N 3.32Å; L504-G506 PolarHBondContact O-N 2.82Å; L504-R507 PolarHBondContact N-O 2.81Å; L504-R507 PolarHBondContact O-N 2.89Å; L504-R507 VanDerWaalsContact O-N 3.11Å; L504-L509 HydrophobicContact CB-CD1 4.03Å; L504-L509 HydrophobicContact CD2-CD1 4.12Å; L504-A514 HydrophobicContact CD2-CB 4.27Å; L504-H517 HydrophobicContact CD2-CB 3.57Å; L504-Q518 HydrophobicContact CD2-CG 4.15Å
505	A	79.4	Confident	87.4	Confident	39 Å²	39	55.4 Å²	55.4	32%	0.322	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	48.8	-175.8	0	0	0	0	0	113.3	D493 R507	D493-A505 PolarHBondContact OD1-N 2.89Å; A505-R507 VanDerWaalsContact C-N 3.28Å; A505-R507 PolarHBondContact O-N 2.92Å
506	G	83.4	Confident	86.9	Confident	19 Å²	19	62 Å²	62	20%	0.196	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	9.6	-179.6	0	0	0	0	0	116.1	L504	L504-G506 VanDerWaalsContact C-N 3.32Å; L504-G506 PolarHBondContact O-N 2.82Å
507	R	87.3	Confident	86.3	Confident	116 Å²	116	61.6 Å²	61.6	44%	0.438	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.5	-176.6	-62.7	175.2	67.8	-145.3	-1.1	112	C503 L504 A505 L509	C503-R507 CarbonylContact C-O 3.53Å; C503-R507 WeakPolarHBondContact CA-O 3.34Å; L504-R507 PolarHBondContact N-O 2.81Å; L504-R507 PolarHBondContact O-N 2.89Å; L504-R507 VanDerWaalsContact O-N 3.11Å; A505-R507 VanDerWaalsContact C-N 3.28Å; A505-R507 PolarHBondContact O-N 2.92Å; R507-L509 HydrophobicContact CB-CD2 4.28Å; R507-L509 HydrophobicContact CB-CG 4.46Å; R507-L509 PolarHBondContact O-N 3.35Å
508	C	90.7	Very high	85.8	Confident	55 Å²	55	63.9 Å²	63.9	37%	0.372	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118.2	167.6	-169.8	0	0	0	0	109.7	C468 C497	C468-C508 PolarHBondContact SG-N 2.91Å; C497-C508 HydrophobicContact CB-CB 3.84Å; C497-C508 WeakPolarHBondContact CB-SG 3.4Å; C497-C508 WeakPolarHBondContact SG-CA 3.34Å; C497-C508 WeakPolarHBondContact SG-CB 2.82Å; C497-C508 CovalentContact SG-SG 2.03Å; C497-C508 PolarHBondContact SG-SG 3.49Å
509	L	91.3	Very high	85.7	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.5	179.7	-61.4	-174.9	0	0	0	110.8	S501 Y502 L504 R507 Q513 A514 H517	S501-L509 CarbonylContact C-O 3.58Å; S501-L509 WeakPolarHBondContact CA-O 3.35Å; S501-L509 WeakPolarHBondContact CB-O 3.41Å; Y502-L509 PolarHBondContact N-O 2.91Å; Y502-L509 PolarHBondContact O-N 3Å; L504-L509 HydrophobicContact CB-CD1 4.03Å; L504-L509 HydrophobicContact CD2-CD1 4.12Å; R507-L509 HydrophobicContact CB-CD2 4.28Å; R507-L509 HydrophobicContact CB-CG 4.46Å; R507-L509 PolarHBondContact O-N 3.35Å; L509-Q513 HydrophobicContact CB-CB 4.18Å; L509-Q513 HydrophobicContact CD2-CB 4.35Å; L509-A514 HydrophobicContact CB-CB 4.18Å; L509-H517 HydrophobicContact CD1-CB 4.2Å
510	N	91.9	Very high	85.8	Confident	59 Å²	59	62.3 Å²	62.3	32%	0.316	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	167.2	170.7	71.1	18.6	0	0	0	111.7	T512 Q513 A514	N510-T512 VanDerWaalsContact C-N 3.28Å; N510-T512 PolarHBondContact O-N 2.78Å; N510-T512 VanDerWaalsContact O-N 3.15Å; N510-T512 PolarHBondContact OD1-N 2.82Å; N510-T512 PolarHBondContact OD1-OG1 2.94Å; N510-Q513 PolarHBondContact O-N 3.47Å; N510-Q513 WeakPolarHBondContact OD1-CB 3.29Å; N510-Q513 VanDerWaalsContact OD1-CG 3.22Å; N510-Q513 WeakPolarHBondContact OD1-CG 3.46Å; N510-Q513 PolarHBondContact OD1-N 3.47Å; N510-Q513 PolarHBondContact OD1-OE1 3.4Å; N510-A514 VanDerWaalsContact O-CB 3.3Å; N510-A514 WeakPolarHBondContact O-CB 3.4Å; N510-A514 PolarHBondContact O-N 2.81Å
511	K	85.2	Confident	86	Confident	119 Å²	119	59.7 Å²	59.7	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-49.2	-39.7	-179.3	-75.9	176.5	178	178	0	115	E500 A515	E500-K511 HydrophobicContact CB-CD 4.23Å; E500-K511 HydrophobicContact CB-CG 4.47Å; E500-K511 PolarHBondContact O-N 2.66Å; E500-K511 WeakPolarHBondContact OE1-CE 3.42Å; E500-K511 IonicContact OE1-NZ 3.23Å; E500-K511 PolarHBondContact OE1-NZ 3.2Å; K511-A515 WeakPolarHBondContact O-CB 3.41Å; K511-A515 PolarHBondContact O-N 2.81Å; K511-A515 VanDerWaalsContact O-N 3.14Å
512	T	86.6	Confident	86	Confident	96 Å²	96	61.5 Å²	61.5	59%	0.589	34%	0.337	S	S	*	.	H	α-helix	trans	-75.9	-47.1	-177.5	49.5	0	0	0	0	112	N510 A514 A515 E516	N510-T512 VanDerWaalsContact C-N 3.28Å; N510-T512 PolarHBondContact O-N 2.78Å; N510-T512 VanDerWaalsContact O-N 3.15Å; N510-T512 PolarHBondContact OD1-N 2.82Å; N510-T512 PolarHBondContact OD1-OG1 2.94Å; T512-A514 VanDerWaalsContact C-N 3.28Å; T512-A514 PolarHBondContact O-N 2.88Å; T512-A515 PolarHBondContact O-N 2.86Å; T512-E516 PolarHBondContact O-N 2.83Å
513	Q	87	Confident	86	Confident	85 Å²	85	59.9 Å²	59.9	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-59.6	-39.8	174.5	-69.4	167.1	-15.1	0	0	111.8	L509 N510 E516 H517	L509-Q513 HydrophobicContact CB-CB 4.18Å; L509-Q513 HydrophobicContact CD2-CB 4.35Å; N510-Q513 PolarHBondContact O-N 3.47Å; N510-Q513 WeakPolarHBondContact OD1-CB 3.29Å; N510-Q513 VanDerWaalsContact OD1-CG 3.22Å; N510-Q513 WeakPolarHBondContact OD1-CG 3.46Å; N510-Q513 PolarHBondContact OD1-N 3.47Å; N510-Q513 PolarHBondContact OD1-OE1 3.4Å; Q513-E516 PolarHBondContact O-N 3.09Å; Q513-H517 WeakPolarHBondContact O-CB 3.3Å; Q513-H517 PolarHBondContact O-CD2 3.47Å; Q513-H517 PolarHBondContact O-N 3.06Å
514	A	82.2	Confident	86.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-69.6	-34	179	0	0	0	0	0	112.6	Y502 L504 L509 N510 T512 H517 Q518	Y502-A514 HydrophobicContact CE1-CB 4.01Å; Y502-A514 HydrophobicContact CE2-CB 3.68Å; Y502-A514 VanDerWaalsContact OH-CB 3.22Å; Y502-A514 WeakPolarHBondContact OH-CB 3.25Å; L504-A514 HydrophobicContact CD2-CB 4.27Å; L509-A514 HydrophobicContact CB-CB 4.18Å; N510-A514 VanDerWaalsContact O-CB 3.3Å; N510-A514 WeakPolarHBondContact O-CB 3.4Å; N510-A514 PolarHBondContact O-N 2.81Å; T512-A514 VanDerWaalsContact C-N 3.28Å; T512-A514 PolarHBondContact O-N 2.88Å; A514-H517 CarbonylContact O-C 3.58Å; A514-H517 PolarHBondContact O-N 3.17Å; A514-Q518 WeakPolarHBondContact O-CB 3.34Å; A514-Q518 VanDerWaalsContact O-CG 3.22Å; A514-Q518 WeakPolarHBondContact O-CG 3.37Å; A514-Q518 PolarHBondContact O-N 2.92Å
515	A	82.4	Confident	86.5	Confident	50 Å²	50	62.5 Å²	62.5	41%	0.413	35%	0.352	S	S	.	.	H	α-helix	trans	-65.8	-41.7	173.7	0	0	0	0	0	112.1	K511 T512 Q518 T519	K511-A515 WeakPolarHBondContact O-CB 3.41Å; K511-A515 PolarHBondContact O-N 2.81Å; K511-A515 VanDerWaalsContact O-N 3.14Å; T512-A515 PolarHBondContact O-N 2.86Å; A515-Q518 PolarHBondContact O-N 2.89Å; A515-Q518 VanDerWaalsContact O-N 3.15Å; A515-T519 PolarHBondContact O-N 2.82Å; A515-T519 VanDerWaalsContact O-N 3.09Å; A515-T519 PolarHBondContact O-OG1 3.19Å
516	E	80.8	Confident	87.2	Confident	141 Å²	141	61 Å²	61	66%	0.659	34%	0.34	S	S	*	.	H	α-helix	trans	-60.1	-45.7	171.7	-67.6	177.1	176.1	0	0	111.1	T512 Q513 Q518 T519 N556	T512-E516 PolarHBondContact O-N 2.83Å; Q513-E516 PolarHBondContact O-N 3.09Å; E516-Q518 PolarHBondContact O-N 3.46Å; E516-T519 PolarHBondContact O-N 3.17Å; E516-N556 PolarHBondContact O-ND2 3.13Å
517	H	78.4	Confident	87.7	Confident	80 Å²	80	68.4 Å²	68.4	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-68.3	-10.9	175.4	-91.5	-84.2	0	0	0	114.9	L504 L509 Q513 A514 N556	L504-H517 HydrophobicContact CD2-CB 3.57Å; L509-H517 HydrophobicContact CD1-CB 4.2Å; Q513-H517 WeakPolarHBondContact O-CB 3.3Å; Q513-H517 PolarHBondContact O-CD2 3.47Å; Q513-H517 PolarHBondContact O-N 3.06Å; A514-H517 CarbonylContact O-C 3.58Å; A514-H517 PolarHBondContact O-N 3.17Å; H517-N556 WeakPolarHBondContact O-CB 2.92Å; H517-N556 PolarHBondContact O-ND2 2.89Å; H517-N556 PolarHBondContact O-OD1 2.86Å
518	Q	79.1	Confident	88	Confident	77 Å²	77	65.5 Å²	65.5	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-104.2	-11.2	175.7	-74.7	167.1	22.8	0	0	113.4	Y502 L504 A514 A515 E516 P520	Y502-Q518 PolarHBondContact OH-NE2 3.37Å; L504-Q518 HydrophobicContact CD2-CG 4.15Å; A514-Q518 WeakPolarHBondContact O-CB 3.34Å; A514-Q518 VanDerWaalsContact O-CG 3.22Å; A514-Q518 WeakPolarHBondContact O-CG 3.37Å; A514-Q518 PolarHBondContact O-N 2.92Å; A515-Q518 PolarHBondContact O-N 2.89Å; A515-Q518 VanDerWaalsContact O-N 3.15Å; E516-Q518 PolarHBondContact O-N 3.46Å; Q518-P520 WeakPolarHBondContact O-CD 3.43Å
519	T	84.4	Confident	88	Confident	84 Å²	84	63.6 Å²	63.6	52%	0.515	35%	0.35	S	S	.	.	S	Bend	trans	-70.3	113.3	-178	-61.2	0	0	0	0	110.7	A515 E516 V521 N556	A515-T519 PolarHBondContact O-N 2.82Å; A515-T519 VanDerWaalsContact O-N 3.09Å; A515-T519 PolarHBondContact O-OG1 3.19Å; E516-T519 PolarHBondContact O-N 3.17Å; T519-V521 PolarHBondContact O-N 3.4Å; T519-N556 WeakPolarHBondContact O-CB 3.2Å; T519-N556 PolarHBondContact O-ND2 3.22Å
520	P	86.3	Confident	88.2	Confident	88 Å²	88	68.2 Å²	68.2	57%	0.571	38%	0.381	S	S	*	.			trans	-72.8	126.9	-171.2	-19.4	33.9	0	0	0	112.8	Q518	Q518-P520 WeakPolarHBondContact O-CD 3.43Å
521	V	90.2	Very high	88.3	Confident	53 Å²	53	68.9 Å²	68.9	32%	0.321	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-109.9	108.9	173.6	-178.2	0	0	0	0	108	T519 P552 P554 K555 G558	T519-V521 PolarHBondContact O-N 3.4Å; V521-P552 HydrophobicContact CG1-CB 4.16Å; V521-P552 HydrophobicContact CG1-CG 3.9Å; V521-P554 CarbonylContact O-C 3.18Å; V521-P554 VanDerWaalsContact O-CA 3.26Å; V521-P554 WeakPolarHBondContact O-CA 3.48Å; V521-K555 HydrophobicContact CB-CB 4.18Å; V521-K555 HydrophobicContact CG2-CB 4.5Å; V521-K555 PolarHBondContact N-O 3.43Å; V521-K555 PolarHBondContact O-N 3.16Å; V521-G558 WeakPolarHBondContact O-CA 2.89Å
522	S	91.7	Very high	88.5	Confident	65 Å²	65	63.6 Å²	63.6	46%	0.455	36%	0.358	S	S	.	.			trans	-77	139.1	174.4	-63	0	0	0	0	110.4	K559	S522-K559 PolarHBondContact OG-N 2.93Å; S522-K559 VanDerWaalsContact OG-N 3.11Å
523	G	91.4	Very high	88.9	Confident	19 Å²	19	64.8 Å²	64.8	20%	0.196	36%	0.361	C	S	.	.			trans	-74.8	151.6	-174.1	0	0	0	0	0	114.1	P552 K559	G523-P552 CarbonylContact C-O 3.47Å; G523-P552 WeakPolarHBondContact CA-O 3.49Å; G523-K559 PolarHBondContact N-O 3.33Å
524	G	93.4	Very high	89.2	Confident	19 Å²	19	62.2 Å²	62.2	20%	0.196	35%	0.352	C	S	.	.			trans	-121.2	150	170.5	0	0	0	0	0	111.5	G526 C549 D550 N551 P552 C561	G524-G526 PolarHBondContact O-N 2.95Å; G524-C549 CarbonylContact O-C 3.59Å; G524-D550 PolarHBondContact O-N 3.34Å; G524-N551 CarbonylContact C-O 3.45Å; G524-N551 WeakPolarHBondContact CA-O 3.3Å; G524-N551 CarbonylContact O-C 3.1Å; G524-N551 PolarHBondContact O-N 3.36Å; G524-P552 PolarHBondContact N-O 3.38Å; G524-C561 PolarHBondContact O-SG 2.98Å
525	W	94.2	Very high	89.8	Confident	45 Å²	45	64.4 Å²	64.4	17%	0.17	37%	0.367	C	S	.	.			trans	-68.9	130	179.2	-74.2	110.8	0	0	0	111.5	R547 C549 C561 E562 G563 R565	W525-R547 VanDerWaalsContact CD1-NH2 3.3Å; W525-R547 HydrophobicContact CD2-CG 4.47Å; W525-R547 HydrophobicContact CE3-CG 3.75Å; W525-R547 HydrophobicContact CZ3-CG 4.27Å; W525-C549 HydrophobicContact CZ3-CB 4.38Å; W525-C561 HydrophobicContact CD2-CB 3.73Å; W525-C561 HydrophobicContact CE3-CB 4.15Å; W525-C561 HydrophobicContact CG-CB 4.2Å; W525-C561 HydrophobicContact CH2-CB 3.9Å; W525-C561 HydrophobicContact CZ2-CB 3.5Å; W525-C561 VanDerWaalsContact CZ2-CB 3.5Å; W525-C561 WeakPolarHBondContact CZ2-O 3.32Å; W525-C561 HydrophobicContact CZ3-CB 4.23Å; W525-E562 PolarHBondContact NE1-O 3.11Å; W525-G563 WeakPolarHBondContact CZ2-O 3.4Å; W525-R565 HydrophobicContact CH2-CB 3.6Å; W525-R565 HydrophobicContact CZ2-CB 4.49Å; W525-R565 HydrophobicContact CZ3-CB 3.86Å
526	G	93.1	Very high	90.2	Very high	7 Å²	7	63.2 Å²	63.2	7%	0.072	35%	0.352	C	S	.	.			trans	-65.2	177.8	166.6	0	0	0	0	0	113.6	G524 R547 S548 D550	G524-G526 PolarHBondContact O-N 2.95Å; G526-R547 WeakPolarHBondContact O-CD 3.33Å; G526-S548 PolarHBondContact N-O 2.83Å; G526-D550 WeakPolarHBondContact CA-OD1 3.27Å; G526-D550 PolarHBondContact N-OD1 3.35Å
527	M	94.3	Very high	90.7	Very high	175 Å²	175	62.6 Å²	62.6	86%	0.862	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-65.1	151.9	168.5	-62.8	-167.8	-66	0	0	110.6	R547	M527-R547 WeakPolarHBondContact O-CB 3.12Å
528	W	93.1	Very high	91.2	Very high	54 Å²	54	59.9 Å²	59.9	21%	0.205	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-76.5	140.8	163.6	-55.2	98.4	0	0	0	109.4	G200 A201 R547 K564 R565 Q567	G200-W528 VanDerWaalsContact O-CB 3.28Å; G200-W528 WeakPolarHBondContact O-CB 3.43Å; A201-W528 HydrophobicContact CB-CB 4Å; A201-W528 HydrophobicContact CB-CG 4.26Å; W528-R547 HydrophobicContact CD2-CB 3.99Å; W528-R547 HydrophobicContact CD2-CG 3.82Å; W528-R547 VanDerWaalsContact CE2-CD 3.49Å; W528-R547 HydrophobicContact CE3-CB 3.76Å; W528-R547 HydrophobicContact CE3-CG 3.59Å; W528-R547 HydrophobicContact CG-CB 4.38Å; W528-R547 HydrophobicContact CH2-CG 4.06Å; W528-R547 HydrophobicContact CZ2-CG 4.25Å; W528-R547 VanDerWaalsContact CZ2-NE 3.33Å; W528-R547 HydrophobicContact CZ3-CB 4.34Å; W528-R547 HydrophobicContact CZ3-CG 3.72Å; W528-K564 HydrophobicContact CH2-CB 3.94Å; W528-K564 HydrophobicContact CZ2-CB 4.17Å; W528-R565 VanDerWaalsContact CZ3-O 3.28Å; W528-R565 WeakPolarHBondContact CZ3-O 3.1Å; W528-Q567 HydrophobicContact CD2-CG 4.31Å; W528-Q567 HydrophobicContact CE3-CG 3.97Å; W528-Q567 VanDerWaalsContact CG-NE2 3.31Å; W528-Q567 HydrophobicContact CH2-CB 3.95Å; W528-Q567 HydrophobicContact CH2-CG 3.8Å; W528-Q567 HydrophobicContact CZ2-CB 4.45Å; W528-Q567 HydrophobicContact CZ2-CG 4.15Å; W528-Q567 HydrophobicContact CZ3-CB 4.2Å; W528-Q567 HydrophobicContact CZ3-CG 3.7Å
529	G	92.1	Very high	91.6	Very high	15 Å²	15	56.6 Å²	56.6	16%	0.155	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-70	160.5	173.3	0	0	0	0	0	113.5	H199 G200	H199-G529 VanDerWaalsContact CG-C 3.48Å; G200-G529 CarbonylContact C-O 3.54Å; G200-G529 WeakPolarHBondContact CA-O 3.48Å; G200-G529 PolarHBondContact N-O 3.09Å
530	P	94.6	Very high	91.9	Very high	102 Å²	102	52.7 Å²	52.7	66%	0.662	31%	0.311	S	S	*	.	S	Bend	trans	-33.3	-98.3	-174	-37.3	35.1	0	0	0	121	H199 G200	H199-P530 VanDerWaalsContact CD2-CD 3.42Å; H199-P530 WeakPolarHBondContact CD2-CD 3.34Å; G200-P530 CarbonylContact C-O 3.53Å; G200-P530 WeakPolarHBondContact CA-O 3.45Å; G200-P530 PolarHBondContact N-O 2.76Å
531	W	93.2	Very high	92.2	Very high	73 Å²	73	48.5 Å²	48.5	28%	0.277	28%	0.284	S	S	.	.			trans	-156	147.5	169	-97.7	108.9	0	0	0	110.9	H199 A201 Q543 R569	H199-W531 VanDerWaalsContact C-CA 3.47Å; H199-W531 CarbonylContact O-C 3.48Å; H199-W531 WeakPolarHBondContact O-CA 3.29Å; A201-W531 PolarHBondContact O-NE1 3.33Å; W531-Q543 HydrophobicContact CE3-CB 3.99Å; W531-Q543 HydrophobicContact CZ3-CB 3.87Å; W531-R569 VanDerWaalsContact CE2-CZ 3.44Å; W531-R569 HydrophobicContact CE3-CG 4.19Å; W531-R569 VanDerWaalsContact CE3-CZ 3.5Å; W531-R569 HydrophobicContact CH2-CB 3.87Å; W531-R569 VanDerWaalsContact CH2-CD 3.42Å; W531-R569 HydrophobicContact CH2-CG 3.45Å; W531-R569 VanDerWaalsContact CH2-CG 3.45Å; W531-R569 HydrophobicContact CZ2-CG 4.14Å; W531-R569 HydrophobicContact CZ3-CB 4.3Å; W531-R569 HydrophobicContact CZ3-CG 3.47Å; W531-R569 VanDerWaalsContact CZ3-CG 3.47Å
532	G	90.9	Very high	92.4	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	27%	0.269	C	S	.	.			trans	-108	-170.4	-160.9	0	0	0	0	0	119.7	S198 H199 Q543	S198-G532 WeakPolarHBondContact O-CA 3.49Å; H199-G532 PolarHBondContact O-N 2.82Å; G532-Q543 VanDerWaalsContact O-CD 3.24Å; G532-Q543 VanDerWaalsContact O-CG 3.3Å; G532-Q543 WeakPolarHBondContact O-CG 3.4Å; G532-Q543 PolarHBondContact O-NE2 2.85Å
533	D	94.1	Very high	92.5	Very high	120 Å²	120	44.2 Å²	44.2	64%	0.642	25%	0.254	S	S	*	.			trans	-75.8	145.7	175.5	-96.1	-11.1	0	0	0	113.1	Q543	D533-Q543 VanDerWaalsContact O-CG 3.23Å; D533-Q543 WeakPolarHBondContact O-CG 3.41Å
534	C	94.1	Very high	92.5	Very high	31 Å²	31	44.6 Å²	44.6	21%	0.209	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-99.1	125.6	-175.1	-172.1	0	0	0	0	111.6	R536 Q543 C571 N572	C534-R536 PolarHBondContact O-N 3.37Å; C534-R536 PolarHBondContact SG-O 2.91Å; C534-Q543 HydrophobicContact CB-CG 4.09Å; C534-C571 VanDerWaalsContact CA-SG 3.58Å; C534-C571 HydrophobicContact CB-CB 3.86Å; C534-C571 WeakPolarHBondContact CB-SG 3.22Å; C534-C571 WeakPolarHBondContact SG-CB 3.49Å; C534-C571 CovalentContact SG-SG 2.02Å; C534-C571 PolarHBondContact SG-SG 3.13Å; C534-N572 PolarHBondContact SG-ND2 2.81Å; C534-N572 VanDerWaalsContact SG-ND2 3.39Å
535	S	93.1	Very high	92.3	Very high	46 Å²	46	43.7 Å²	43.7	32%	0.322	24%	0.24	S	C	.	.	S	Bend	trans	-60.6	-10.5	-176.9	69	0	0	0	0	116	V542 D643	S535-V542 PolarHBondContact N-O 2.82Å; S535-V542 PolarHBondContact OG-N 3.14Å; S535-D643 PolarHBondContact OG-O 3.33Å
536	R	91.2	Very high	92.1	Very high	26 Å²	26	45.8 Å²	45.8	10%	0.098	25%	0.25	C	S	.	.			trans	-148	142.9	179.2	-58.3	178	63.4	-143.6	-7.2	110.3	C534 C538 G539 G540 N572 F584 D643 G644	C534-R536 PolarHBondContact O-N 3.37Å; C534-R536 PolarHBondContact SG-O 2.91Å; R536-C538 VanDerWaalsContact C-N 3.3Å; R536-C538 PolarHBondContact NH2-O 2.93Å; R536-C538 PolarHBondContact O-N 2.67Å; R536-G539 PolarHBondContact NH1-O 3.43Å; R536-G540 WeakPolarHBondContact CD-O 3.27Å; R536-G540 PolarHBondContact NH1-O 3.39Å; R536-N572 WeakPolarHBondContact O-CB 3.5Å; R536-N572 PolarHBondContact O-ND2 2.57Å; R536-F584 VanDerWaalsContact CD-CE1 3.42Å; R536-F584 HydrophobicContact CG-CE1 3.86Å; R536-F584 HydrophobicContact CG-CZ 3.81Å; R536-F584 VanDerWaalsContact NE-CD1 3.27Å; R536-F584 VanDerWaalsContact NE-CE1 3.27Å; R536-D643 WeakPolarHBondContact CD-O 3.48Å; R536-G644 PolarHBondContact NH1-O 3.05Å
537	T	91.4	Very high	92	Very high	128 Å²	128	48.3 Å²	48.3	79%	0.785	26%	0.258	S	S	*	.	S	Bend	trans	-76.5	-14.3	177.4	47.4	0	0	0	0	114.2
538	C	90.4	Very high	91.8	Very high	23 Å²	23	42.6 Å²	42.6	16%	0.155	24%	0.235	C	C	.	.	S	Bend	trans	-162.8	174	178.6	59.8	0	0	0	0	111	R536 G540 N572 E574 C576	R536-C538 VanDerWaalsContact C-N 3.3Å; R536-C538 PolarHBondContact NH2-O 2.93Å; R536-C538 PolarHBondContact O-N 2.67Å; C538-G540 VanDerWaalsContact C-N 3.31Å; C538-G540 PolarHBondContact O-N 2.74Å; C538-N572 CarbonylContact C-O 3.55Å; C538-N572 WeakPolarHBondContact CA-O 3.45Å; C538-E574 WeakPolarHBondContact CA-OE1 3.49Å; C538-C576 HydrophobicContact CB-CB 3.99Å; C538-C576 WeakPolarHBondContact CB-SG 3.17Å; C538-C576 VanDerWaalsContact SG-CA 3.51Å; C538-C576 WeakPolarHBondContact SG-CB 3.37Å; C538-C576 CovalentContact SG-SG 2.04Å; C538-C576 PolarHBondContact SG-SG 3.41Å
539	G	86.8	Confident	91.8	Very high	8 Å²	8	40.3 Å²	40.3	8%	0.082	23%	0.227	C	C	.	.	S	Bend	trans	77.2	10.3	166.4	0	0	0	0	0	115.7	R536 N572 E574 C576 R667	R536-G539 PolarHBondContact NH1-O 3.43Å; G539-N572 PolarHBondContact N-O 3.22Å; G539-E574 WeakPolarHBondContact CA-O 3.4Å; G539-E574 PolarHBondContact N-O 3.12Å; G539-C576 PolarHBondContact N-SG 2.02Å; G539-R667 WeakPolarHBondContact O-CD 3.42Å
540	G	89.9	Confident	91.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	24%	0.242	C	C	.	.	S	Bend	trans	91.4	88.4	-175.7	0	0	0	0	0	112.5	R536 C538 N572 G644	R536-G540 WeakPolarHBondContact CD-O 3.27Å; R536-G540 PolarHBondContact NH1-O 3.39Å; C538-G540 VanDerWaalsContact C-N 3.31Å; C538-G540 PolarHBondContact O-N 2.74Å; G540-N572 WeakPolarHBondContact CA-O 3.08Å; G540-N572 PolarHBondContact N-O 2.87Å; G540-G644 CarbonylContact O-C 3.57Å; G540-G644 VanDerWaalsContact O-CA 3.25Å; G540-G644 WeakPolarHBondContact O-CA 3.12Å
541	G	93.1	Very high	91.6	Very high	1 Å²	1	44 Å²	44	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-176.3	167.5	0	0	0	0	0	112.9	S570 C571	G541-S570 WeakPolarHBondContact O-CA 3.32Å; G541-C571 PolarHBondContact N-O 3.12Å; G541-C571 PolarHBondContact O-N 3.3Å
542	V	94.4	Very high	91.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.1	179.7	-174.6	0	0	0	0	110.5	S535 Y544 R569 C571 D643 V656 I669	S535-V542 PolarHBondContact N-O 2.82Å; S535-V542 PolarHBondContact OG-N 3.14Å; V542-Y544 HydrophobicContact CG1-CE1 4.08Å; V542-Y544 HydrophobicContact CG1-CE2 4.06Å; V542-R569 WeakPolarHBondContact CA-O 3.31Å; V542-C571 PolarHBondContact N-SG 2.85Å; V542-C571 VanDerWaalsContact N-SG 3.39Å; V542-D643 HydrophobicContact CB-CB 4.1Å; V542-D643 HydrophobicContact CG2-CB 4.03Å; V542-V656 HydrophobicContact CG1-CG1 4.4Å; V542-V656 HydrophobicContact CG2-CG2 4.25Å; V542-I669 HydrophobicContact CG2-CD1 3.99Å
543	Q	93.4	Very high	91.5	Very high	26 Å²	26	47.4 Å²	47.4	12%	0.121	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.4	170.3	-89.7	164.6	-15.8	0	0	110.1	W531 G532 D533 C534 Y568 R569 C571	W531-Q543 HydrophobicContact CE3-CB 3.99Å; W531-Q543 HydrophobicContact CZ3-CB 3.87Å; G532-Q543 VanDerWaalsContact O-CD 3.24Å; G532-Q543 VanDerWaalsContact O-CG 3.3Å; G532-Q543 WeakPolarHBondContact O-CG 3.4Å; G532-Q543 PolarHBondContact O-NE2 2.85Å; D533-Q543 VanDerWaalsContact O-CG 3.23Å; D533-Q543 WeakPolarHBondContact O-CG 3.41Å; C534-Q543 HydrophobicContact CB-CG 4.09Å; Q543-Y568 WeakPolarHBondContact O-CA 3.39Å; Q543-Y568 WeakPolarHBondContact O-CB 3.42Å; Q543-R569 HydrophobicContact CB-CG 4.17Å; Q543-R569 PolarHBondContact N-O 2.87Å; Q543-R569 PolarHBondContact O-N 3.4Å; Q543-R569 VanDerWaalsContact O-N 3.14Å; Q543-R569 VanDerWaalsContact OE1-CZ 3.22Å; Q543-C571 HydrophobicContact CG-CB 4.07Å
544	Y	91.1	Very high	91.3	Very high	27 Å²	27	41.8 Å²	41.8	11%	0.106	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	141	-177.4	-70.6	-72.8	0	0	0	113.5	S198 H199 V542 I566 Y568 D643 V656 Q657	S198-Y544 CarbonylContact C-O 3.55Å; S198-Y544 VanDerWaalsContact C-O 3.3Å; H199-Y544 CarbonylContact C-O 3.5Å; H199-Y544 VanDerWaalsContact C-O 3.3Å; H199-Y544 WeakPolarHBondContact CA-O 3.39Å; H199-Y544 PolarHBondContact N-O 3.03Å; H199-Y544 CarbonylContact O-C 3.59Å; V542-Y544 HydrophobicContact CG1-CE1 4.08Å; V542-Y544 HydrophobicContact CG1-CE2 4.06Å; Y544-I566 HydrophobicContact CD1-CG2 4.2Å; Y544-Y568 HydrophobicContact CE1-CD1 4.41Å; Y544-Y568 HydrophobicContact CE1-CG 4.38Å; Y544-D643 WeakPolarHBondContact CE2-OD2 3.31Å; Y544-D643 PolarHBondContact OH-OD2 3.46Å; Y544-V656 HydrophobicContact CE1-CG1 3.97Å; Y544-V656 WeakPolarHBondContact OH-CG1 3.36Å; Y544-Q657 HydrophobicContact CE1-CG 4.03Å; Y544-Q657 WeakPolarHBondContact OH-CG 3.5Å; Y544-Q657 PolarHBondContact OH-N 3.07Å; Y544-Q657 PolarHBondContact OH-NE2 3.16Å
545	S	90.9	Very high	90.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.1	177.8	171.5	0	0	0	0	111.5	G200 I566 Q567	G200-S545 VanDerWaalsContact CA-CB 3.47Å; G200-S545 PolarHBondContact N-OG 3Å; G200-S545 WeakPolarHBondContact O-CB 3.49Å; G200-S545 PolarHBondContact O-OG 2.8Å; S545-I566 WeakPolarHBondContact O-CA 3.48Å; S545-Q567 VanDerWaalsContact CB-CG 3.47Å; S545-Q567 WeakPolarHBondContact CB-O 3.1Å; S545-Q567 PolarHBondContact N-O 3.25Å; S545-Q567 PolarHBondContact O-N 3.11Å; S545-Q567 VanDerWaalsContact O-N 3.09Å
546	F	88.8	Confident	90	Very high	89 Å²	89	46.5 Å²	46.5	39%	0.39	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.8	-176.2	-54	-97.1	0	0	0	109.5	I566	F546-I566 HydrophobicContact CD1-CD1 3.86Å; F546-I566 HydrophobicContact CD1-CG1 3.52Å; F546-I566 HydrophobicContact CE1-CD1 3.66Å; F546-I566 HydrophobicContact CE1-CG1 3.74Å; F546-I566 HydrophobicContact CG-CG1 4.36Å
547	R	91.3	Very high	89.3	Confident	59 Å²	59	48.3 Å²	48.3	22%	0.223	27%	0.274	C	S	.	.			trans	-144.2	151.7	165.5	63.6	174.8	177.6	165	7.2	110.8	W525 G526 M527 W528 K564 R565	W525-R547 VanDerWaalsContact CD1-NH2 3.3Å; W525-R547 HydrophobicContact CD2-CG 4.47Å; W525-R547 HydrophobicContact CE3-CG 3.75Å; W525-R547 HydrophobicContact CZ3-CG 4.27Å; G526-R547 WeakPolarHBondContact O-CD 3.33Å; M527-R547 WeakPolarHBondContact O-CB 3.12Å; W528-R547 HydrophobicContact CD2-CB 3.99Å; W528-R547 HydrophobicContact CD2-CG 3.82Å; W528-R547 VanDerWaalsContact CE2-CD 3.49Å; W528-R547 HydrophobicContact CE3-CB 3.76Å; W528-R547 HydrophobicContact CE3-CG 3.59Å; W528-R547 HydrophobicContact CG-CB 4.38Å; W528-R547 HydrophobicContact CH2-CG 4.06Å; W528-R547 HydrophobicContact CZ2-CG 4.25Å; W528-R547 VanDerWaalsContact CZ2-NE 3.33Å; W528-R547 HydrophobicContact CZ3-CB 4.34Å; W528-R547 HydrophobicContact CZ3-CG 3.72Å; R547-K564 VanDerWaalsContact CZ-O 3.28Å; R547-K564 PolarHBondContact NE-O 3.35Å; R547-K564 PolarHBondContact NH2-O 2.92Å; R547-R565 PolarHBondContact N-O 3.4Å
548	S	89.9	Confident	88.9	Confident	56 Å²	56	42.5 Å²	42.5	39%	0.392	24%	0.239	S	C	.	.			trans	-97.7	165.4	-178.7	-66.4	0	0	0	0	112.2	G526 D550	G526-S548 PolarHBondContact N-O 2.83Å; S548-D550 WeakPolarHBondContact CB-OD2 3.3Å; S548-D550 PolarHBondContact O-N 3.3Å
549	C	92.2	Very high	88.6	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.041	26%	0.262	C	S	.	.	S	Bend	trans	-96.6	72.2	172.8	-176.1	0	0	0	0	109.3	G524 W525 L553 P554 Y560 C561	G524-C549 CarbonylContact O-C 3.59Å; W525-C549 HydrophobicContact CZ3-CB 4.38Å; C549-L553 WeakPolarHBondContact O-CD1 3.47Å; C549-P554 WeakPolarHBondContact O-CD 3.44Å; C549-P554 VanDerWaalsContact SG-CG 3.54Å; C549-Y560 HydrophobicContact CB-CD2 4.28Å; C549-Y560 HydrophobicContact CB-CE1 4.08Å; C549-Y560 HydrophobicContact CB-CE2 3.56Å; C549-Y560 VanDerWaalsContact CB-CZ 3.43Å; C549-Y560 WeakPolarHBondContact CB-OH 3.46Å; C549-C561 WeakPolarHBondContact CA-SG 3.33Å; C549-C561 HydrophobicContact CB-CB 3.72Å; C549-C561 WeakPolarHBondContact CB-SG 3.19Å; C549-C561 WeakPolarHBondContact SG-CB 3.34Å; C549-C561 PolarHBondContact SG-N 2.88Å; C549-C561 CovalentContact SG-SG 2.03Å; C549-C561 PolarHBondContact SG-SG 2.87Å
550	D	91.8	Very high	88.8	Confident	85 Å²	85	49 Å²	49	46%	0.455	26%	0.262	S	S	.	.			trans	-131.3	-2.1	-164.6	56.6	0.6	0	0	0	114.2	G524 G526 S548 P552 L553	G524-D550 PolarHBondContact O-N 3.34Å; G526-D550 WeakPolarHBondContact CA-OD1 3.27Å; G526-D550 PolarHBondContact N-OD1 3.35Å; S548-D550 WeakPolarHBondContact CB-OD2 3.3Å; S548-D550 PolarHBondContact O-N 3.3Å; D550-P552 CarbonylContact C-O 3.42Å; D550-P552 CarbonylContact O-C 3.6Å; D550-P552 VanDerWaalsContact O-C 3.27Å; D550-P552 WeakPolarHBondContact O-CA 3.46Å; D550-L553 PolarHBondContact O-N 2.93Å
551	N	92.1	Very high	88.9	Confident	110 Å²	110	49.2 Å²	49.2	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	74.6	-174.6	-175.8	39.8	0	0	0	113.2	G524	G524-N551 CarbonylContact C-O 3.45Å; G524-N551 WeakPolarHBondContact CA-O 3.3Å; G524-N551 CarbonylContact O-C 3.1Å; G524-N551 PolarHBondContact O-N 3.36Å
552	P	93.3	Very high	88.8	Confident	68 Å²	68	54.3 Å²	54.3	44%	0.442	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	cis	-79.5	164	-5.3	34.3	-36.8	0	0	0	112.2	V521 G523 G524 D550	V521-P552 HydrophobicContact CG1-CB 4.16Å; V521-P552 HydrophobicContact CG1-CG 3.9Å; G523-P552 CarbonylContact C-O 3.47Å; G523-P552 WeakPolarHBondContact CA-O 3.49Å; G524-P552 PolarHBondContact N-O 3.38Å; D550-P552 CarbonylContact C-O 3.42Å; D550-P552 CarbonylContact O-C 3.6Å; D550-P552 VanDerWaalsContact O-C 3.27Å; D550-P552 WeakPolarHBondContact O-CA 3.46Å
553	L	88.8	Confident	88.5	Confident	84 Å²	84	55.3 Å²	55.3	44%	0.44	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-65.7	133.3	167.3	-174.6	75.4	0	0	0	109.5	P258 C549 D550	P258-L553 HydrophobicContact CB-CD1 4.38Å; C549-L553 WeakPolarHBondContact O-CD1 3.47Å; D550-L553 PolarHBondContact O-N 2.93Å
554	P	89.4	Confident	88.2	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.013	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-58.6	140.6	173.1	-11.5	18.1	0	0	0	111.3	P258 V521 C549 Y560	P258-P554 HydrophobicContact CB-CB 4.13Å; P258-P554 HydrophobicContact CB-CG 3.98Å; P258-P554 WeakPolarHBondContact CG-O 3.36Å; V521-P554 CarbonylContact O-C 3.18Å; V521-P554 VanDerWaalsContact O-CA 3.26Å; V521-P554 WeakPolarHBondContact O-CA 3.48Å; C549-P554 WeakPolarHBondContact O-CD 3.44Å; C549-P554 VanDerWaalsContact SG-CG 3.54Å; P554-Y560 HydrophobicContact CG-CD2 3.91Å; P554-Y560 HydrophobicContact CG-CE2 4.48Å
555	K	84.3	Confident	88	Confident	114 Å²	114	58.8 Å²	58.8	50%	0.496	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-145.4	157.9	175.3	-60.7	-175	-177.9	179.7	0	111.4	V521 G557 G558	V521-K555 HydrophobicContact CB-CB 4.18Å; V521-K555 HydrophobicContact CG2-CB 4.5Å; V521-K555 PolarHBondContact N-O 3.43Å; V521-K555 PolarHBondContact O-N 3.16Å; K555-G557 VanDerWaalsContact C-N 3.32Å; K555-G557 PolarHBondContact O-N 3.4Å; K555-G558 PolarHBondContact O-N 3.36Å
556	N	76.6	Confident	87.8	Confident	62 Å²	62	59.9 Å²	59.9	33%	0.332	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	42.4	166.6	-46.5	-15.7	0	0	0	113.4	E516 H517 T519 G558	E516-N556 PolarHBondContact O-ND2 3.13Å; H517-N556 WeakPolarHBondContact O-CB 2.92Å; H517-N556 PolarHBondContact O-ND2 2.89Å; H517-N556 PolarHBondContact O-OD1 2.86Å; T519-N556 WeakPolarHBondContact O-CB 3.2Å; T519-N556 PolarHBondContact O-ND2 3.22Å; N556-G558 VanDerWaalsContact C-N 3.31Å; N556-G558 PolarHBondContact O-N 3.45Å
557	G	75.2	Confident	87.9	Confident	64 Å²	64	56.9 Å²	56.9	66%	0.66	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	6.7	-177.9	0	0	0	0	0	115.6	K555	K555-G557 VanDerWaalsContact C-N 3.32Å; K555-G557 PolarHBondContact O-N 3.4Å
558	G	82.3	Confident	87.9	Confident	6 Å²	6	57.7 Å²	57.7	6%	0.062	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-66.6	152.4	169.8	0	0	0	0	0	112.6	V521 K555 N556	V521-G558 WeakPolarHBondContact O-CA 2.89Å; K555-G558 PolarHBondContact O-N 3.36Å; N556-G558 VanDerWaalsContact C-N 3.31Å; N556-G558 PolarHBondContact O-N 3.45Å
559	K	86	Confident	88	Confident	146 Å²	146	59.6 Å²	59.6	64%	0.635	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-66.3	140.7	-170.7	-63.7	-176.5	177.7	-175.8	0	112.6	S522 G523	S522-K559 PolarHBondContact OG-N 2.93Å; S522-K559 VanDerWaalsContact OG-N 3.11Å; G523-K559 PolarHBondContact N-O 3.33Å
560	Y	90.8	Very high	88.1	Confident	21 Å²	21	60.3 Å²	60.3	8%	0.082	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-69.4	155	166.2	-164.7	-95.9	0	0	0	111.4	H261 C549 P554 E562	H261-Y560 WeakPolarHBondContact CA-OH 3.41Å; H261-Y560 VanDerWaalsContact O-CE1 3.29Å; H261-Y560 WeakPolarHBondContact O-CE1 3.08Å; H261-Y560 PolarHBondContact O-OH 2.86Å; C549-Y560 HydrophobicContact CB-CD2 4.28Å; C549-Y560 HydrophobicContact CB-CE1 4.08Å; C549-Y560 HydrophobicContact CB-CE2 3.56Å; C549-Y560 VanDerWaalsContact CB-CZ 3.43Å; C549-Y560 WeakPolarHBondContact CB-OH 3.46Å; P554-Y560 HydrophobicContact CG-CD2 3.91Å; P554-Y560 HydrophobicContact CG-CE2 4.48Å; Y560-E562 PolarHBondContact O-N 3.18Å
561	C	91.8	Very high	88.2	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.034	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-68.2	129.4	-175.6	-56.7	0	0	0	0	112.6	S217 G524 W525 C549	S217-C561 WeakPolarHBondContact CB-O 3.37Å; S217-C561 PolarHBondContact OG-O 2.72Å; G524-C561 PolarHBondContact O-SG 2.98Å; W525-C561 HydrophobicContact CD2-CB 3.73Å; W525-C561 HydrophobicContact CE3-CB 4.15Å; W525-C561 HydrophobicContact CG-CB 4.2Å; W525-C561 HydrophobicContact CH2-CB 3.9Å; W525-C561 HydrophobicContact CZ2-CB 3.5Å; W525-C561 VanDerWaalsContact CZ2-CB 3.5Å; W525-C561 WeakPolarHBondContact CZ2-O 3.32Å; W525-C561 HydrophobicContact CZ3-CB 4.23Å; C549-C561 WeakPolarHBondContact CA-SG 3.33Å; C549-C561 HydrophobicContact CB-CB 3.72Å; C549-C561 WeakPolarHBondContact CB-SG 3.19Å; C549-C561 WeakPolarHBondContact SG-CB 3.34Å; C549-C561 PolarHBondContact SG-N 2.88Å; C549-C561 CovalentContact SG-SG 2.03Å; C549-C561 PolarHBondContact SG-SG 2.87Å
562	E	90.5	Very high	88.3	Confident	108 Å²	108	54.5 Å²	54.5	51%	0.505	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-97.9	144.2	170.9	-65	-179	-135.4	0	0	111.1	S217 W525 Y560	S217-E562 WeakPolarHBondContact O-CA 3.5Å; W525-E562 PolarHBondContact NE1-O 3.11Å; Y560-E562 PolarHBondContact O-N 3.18Å
563	G	87.8	Confident	88.3	Confident	24 Å²	24	53.5 Å²	53.5	25%	0.247	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119.6	-176	179.9	0	0	0	0	0	113.9	V216 S217 W525 R565	V216-G563 CarbonylContact C-O 3.01Å; V216-G563 VanDerWaalsContact CA-O 3.31Å; V216-G563 WeakPolarHBondContact CA-O 3.46Å; V216-G563 VanDerWaalsContact CG1-C 3.47Å; S217-G563 PolarHBondContact N-O 3.48Å; S217-G563 PolarHBondContact O-N 2.96Å; W525-G563 WeakPolarHBondContact CZ2-O 3.4Å; G563-R565 PolarHBondContact O-N 2.94Å
564	K	86.8	Confident	88.3	Confident	108 Å²	108	54.1 Å²	54.1	47%	0.47	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	121.8	-177.3	-67.5	179	-178.7	174.9	0	110.8	F215 V216 W528 R547	F215-K564 CarbonylContact O-C 3.27Å; F215-K564 VanDerWaalsContact O-CA 3.32Å; F215-K564 WeakPolarHBondContact O-CA 3.43Å; V216-K564 HydrophobicContact CG2-CG 4.04Å; W528-K564 HydrophobicContact CH2-CB 3.94Å; W528-K564 HydrophobicContact CZ2-CB 4.17Å; R547-K564 VanDerWaalsContact CZ-O 3.28Å; R547-K564 PolarHBondContact NE-O 3.35Å; R547-K564 PolarHBondContact NH2-O 2.92Å
565	R	87.6	Confident	88.1	Confident	18 Å²	18	59.5 Å²	59.5	7%	0.068	31%	0.308	C	S	.	.	S	Bend	trans	-98.6	-25.5	168.3	64.1	169.9	163.8	-145.3	-4.2	113	F215 H261 N262 T414 D418 W525 W528 R547 G563	F215-R565 PolarHBondContact O-N 3.45Å; H261-R565 PolarHBondContact O-NH1 2.8Å; N262-R565 PolarHBondContact OD1-NH1 3.11Å; N262-R565 PolarHBondContact OD1-NH2 2.82Å; N262-R565 VanDerWaalsContact OD1-NH2 3.09Å; T414-R565 PolarHBondContact O-NH2 2.83Å; T414-R565 PolarHBondContact OG1-NH1 3.08Å; D418-R565 IonicContact OD1-NH2 3.81Å; D418-R565 IonicContact OD2-CZ 2.72Å; D418-R565 VanDerWaalsContact OD2-CZ 3.23Å; D418-R565 IonicContact OD2-NE 3.73Å; D418-R565 PolarHBondContact OD2-NE 2.59Å; D418-R565 IonicContact OD2-NH2 2.87Å; D418-R565 PolarHBondContact OD2-NH2 2.94Å; W525-R565 HydrophobicContact CH2-CB 3.6Å; W525-R565 HydrophobicContact CZ2-CB 4.49Å; W525-R565 HydrophobicContact CZ3-CB 3.86Å; W528-R565 VanDerWaalsContact CZ3-O 3.28Å; W528-R565 WeakPolarHBondContact CZ3-O 3.1Å; R547-R565 PolarHBondContact N-O 3.4Å; G563-R565 PolarHBondContact O-N 2.94Å
566	I	87.8	Confident	88.2	Confident	23 Å²	23	55.7 Å²	55.7	12%	0.118	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.1	175.7	-70.5	160.6	0	0	0	109.4	F215 Y544 S545 F546	F215-I566 HydrophobicContact CB-CB 3.81Å; F215-I566 HydrophobicContact CB-CG2 4.15Å; F215-I566 HydrophobicContact CD1-CB 3.9Å; F215-I566 HydrophobicContact CD1-CD1 4.08Å; F215-I566 HydrophobicContact CD1-CG2 3.78Å; F215-I566 HydrophobicContact CG-CB 4.16Å; F215-I566 HydrophobicContact CG-CG2 4.05Å; F215-I566 PolarHBondContact O-N 3.31Å; Y544-I566 HydrophobicContact CD1-CG2 4.2Å; S545-I566 WeakPolarHBondContact O-CA 3.48Å; F546-I566 HydrophobicContact CD1-CD1 3.86Å; F546-I566 HydrophobicContact CD1-CG1 3.52Å; F546-I566 HydrophobicContact CE1-CD1 3.66Å; F546-I566 HydrophobicContact CE1-CG1 3.74Å; F546-I566 HydrophobicContact CG-CG1 4.36Å
567	Q	89	Confident	88.6	Confident	25 Å²	25	57.9 Å²	57.9	12%	0.117	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	163.6	168.9	65.3	-174.9	-16.4	0	0	109.9	G200 W528 S545	G200-Q567 PolarHBondContact O-NE2 3.17Å; W528-Q567 HydrophobicContact CD2-CG 4.31Å; W528-Q567 HydrophobicContact CE3-CG 3.97Å; W528-Q567 VanDerWaalsContact CG-NE2 3.31Å; W528-Q567 HydrophobicContact CH2-CB 3.95Å; W528-Q567 HydrophobicContact CH2-CG 3.8Å; W528-Q567 HydrophobicContact CZ2-CB 4.45Å; W528-Q567 HydrophobicContact CZ2-CG 4.15Å; W528-Q567 HydrophobicContact CZ3-CB 4.2Å; W528-Q567 HydrophobicContact CZ3-CG 3.7Å; S545-Q567 VanDerWaalsContact CB-CG 3.47Å; S545-Q567 WeakPolarHBondContact CB-O 3.1Å; S545-Q567 PolarHBondContact N-O 3.25Å; S545-Q567 PolarHBondContact O-N 3.11Å; S545-Q567 VanDerWaalsContact O-N 3.09Å
568	Y	91.8	Very high	88.2	Confident	76 Å²	76	62.4 Å²	62.4	30%	0.298	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	155.8	-172.6	51.5	-94.5	0	0	0	112.3	F215 Q543 Y544 V656 V661 I669	F215-Y568 AromaticContact CD2-CE1 3.94Å; F215-Y568 HydrophobicContact CD2-CE1 3.94Å; F215-Y568 HydrophobicContact CE2-CE1 4.4Å; Q543-Y568 WeakPolarHBondContact O-CA 3.39Å; Q543-Y568 WeakPolarHBondContact O-CB 3.42Å; Y544-Y568 HydrophobicContact CE1-CD1 4.41Å; Y544-Y568 HydrophobicContact CE1-CG 4.38Å; Y568-V656 HydrophobicContact CD1-CG1 4.09Å; Y568-V656 HydrophobicContact CD2-CG1 3.99Å; Y568-V656 HydrophobicContact CE1-CG1 4.18Å; Y568-V656 HydrophobicContact CE2-CG1 4.07Å; Y568-V656 HydrophobicContact CE2-CG2 4.4Å; Y568-V656 HydrophobicContact CG-CG1 4Å; Y568-V661 HydrophobicContact CE2-CG1 4.31Å; Y568-I669 HydrophobicContact CD2-CD1 4.1Å; Y568-I669 HydrophobicContact CD2-CG2 4.17Å; Y568-I669 HydrophobicContact CE2-CD1 4.43Å; Y568-I669 HydrophobicContact CE2-CG2 3.85Å
569	R	92.1	Very high	87.1	Confident	97 Å²	97	65.3 Å²	65.3	37%	0.366	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	164.6	173.1	74.3	174.2	179.4	-164.2	-2.6	111.6	W531 V542 Q543	W531-R569 VanDerWaalsContact CE2-CZ 3.44Å; W531-R569 HydrophobicContact CE3-CG 4.19Å; W531-R569 VanDerWaalsContact CE3-CZ 3.5Å; W531-R569 HydrophobicContact CH2-CB 3.87Å; W531-R569 VanDerWaalsContact CH2-CD 3.42Å; W531-R569 HydrophobicContact CH2-CG 3.45Å; W531-R569 VanDerWaalsContact CH2-CG 3.45Å; W531-R569 HydrophobicContact CZ2-CG 4.14Å; W531-R569 HydrophobicContact CZ3-CB 4.3Å; W531-R569 HydrophobicContact CZ3-CG 3.47Å; W531-R569 VanDerWaalsContact CZ3-CG 3.47Å; V542-R569 WeakPolarHBondContact CA-O 3.31Å; Q543-R569 HydrophobicContact CB-CG 4.17Å; Q543-R569 PolarHBondContact N-O 2.87Å; Q543-R569 PolarHBondContact O-N 3.4Å; Q543-R569 VanDerWaalsContact O-N 3.14Å; Q543-R569 VanDerWaalsContact OE1-CZ 3.22Å
570	S	94.6	Very high	86	Confident	20 Å²	20	66.1 Å²	66.1	14%	0.14	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	148.3	165.1	-62.8	0	0	0	0	112	G541 R667 I668 I669	G541-S570 WeakPolarHBondContact O-CA 3.32Å; S570-R667 WeakPolarHBondContact CB-O 3.28Å; S570-R667 PolarHBondContact OG-O 2.82Å; S570-I668 WeakPolarHBondContact OG-CA 3.29Å; S570-I669 WeakPolarHBondContact OG-CG1 3.39Å; S570-I669 PolarHBondContact OG-N 3.24Å
571	C	95	Very high	84.8	Confident	12 Å²	12	66.3 Å²	66.3	8%	0.081	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	164.5	171.9	47.5	0	0	0	0	109.2	C534 G541 V542 Q543 T573	C534-C571 VanDerWaalsContact CA-SG 3.58Å; C534-C571 HydrophobicContact CB-CB 3.86Å; C534-C571 WeakPolarHBondContact CB-SG 3.22Å; C534-C571 WeakPolarHBondContact SG-CB 3.49Å; C534-C571 CovalentContact SG-SG 2.02Å; C534-C571 PolarHBondContact SG-SG 3.13Å; G541-C571 PolarHBondContact N-O 3.12Å; G541-C571 PolarHBondContact O-N 3.3Å; V542-C571 PolarHBondContact N-SG 2.85Å; V542-C571 VanDerWaalsContact N-SG 3.39Å; Q543-C571 HydrophobicContact CG-CB 4.07Å; C571-T573 PolarHBondContact O-N 3.02Å
572	N	94.3	Very high	84	Confident	62 Å²	62	69.5 Å²	69.5	33%	0.332	38%	0.375	S	S	.	.			trans	45.9	57.4	174	-56.8	-7.5	0	0	0	112.5	C534 R536 C538 G539 G540 E574	C534-N572 PolarHBondContact SG-ND2 2.81Å; C534-N572 VanDerWaalsContact SG-ND2 3.39Å; R536-N572 WeakPolarHBondContact O-CB 3.5Å; R536-N572 PolarHBondContact O-ND2 2.57Å; C538-N572 CarbonylContact C-O 3.55Å; C538-N572 WeakPolarHBondContact CA-O 3.45Å; G539-N572 PolarHBondContact N-O 3.22Å; G540-N572 WeakPolarHBondContact CA-O 3.08Å; G540-N572 PolarHBondContact N-O 2.87Å; N572-E574 VanDerWaalsContact C-OE2 3.24Å; N572-E574 WeakPolarHBondContact CA-OE1 3.31Å; N572-E574 WeakPolarHBondContact CA-OE2 3.19Å; N572-E574 VanDerWaalsContact CB-OE1 3.3Å; N572-E574 WeakPolarHBondContact CB-OE1 3.45Å
573	T	91.4	Very high	83.6	Confident	46 Å²	46	65.9 Å²	65.9	28%	0.282	36%	0.362	S	S	.	.			trans	-86.7	-13.4	-167.8	51.4	0	0	0	0	114.2	C571 R667 I668	C571-T573 PolarHBondContact O-N 3.02Å; T573-R667 HydrophobicContact CG2-CB 4.35Å; T573-R667 VanDerWaalsContact O-CD 3.24Å; T573-R667 WeakPolarHBondContact O-CD 3.36Å; T573-R667 PolarHBondContact O-NH1 3.03Å; T573-I668 HydrophobicContact CG2-CG1 4.33Å
574	E	89.9	Confident	83.6	Confident	98 Å²	98	67.3 Å²	67.3	46%	0.458	36%	0.361	S	S	.	.	S	Bend	trans	-53.8	159.6	173.8	62.1	-64.6	140.1	0	0	113.5	C538 G539 N572 C576 R667	C538-E574 WeakPolarHBondContact CA-OE1 3.49Å; G539-E574 WeakPolarHBondContact CA-O 3.4Å; G539-E574 PolarHBondContact N-O 3.12Å; N572-E574 VanDerWaalsContact C-OE2 3.24Å; N572-E574 WeakPolarHBondContact CA-OE1 3.31Å; N572-E574 WeakPolarHBondContact CA-OE2 3.19Å; N572-E574 VanDerWaalsContact CB-OE1 3.3Å; N572-E574 WeakPolarHBondContact CB-OE1 3.45Å; E574-C576 PolarHBondContact O-N 3.01Å; E574-R667 PolarHBondContact O-NH1 3.48Å
575	V	85.7	Confident	83.7	Confident	115 Å²	115	62.5 Å²	62.5	70%	0.697	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-73.3	127.4	179.8	-170.2	0	0	0	0	108.9
576	C	84.6	Confident	83.7	Confident	33 Å²	33	62.5 Å²	62.5	22%	0.223	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-58.9	149.7	171.1	-65.5	0	0	0	0	110.4	C538 G539 E574	C538-C576 HydrophobicContact CB-CB 3.99Å; C538-C576 WeakPolarHBondContact CB-SG 3.17Å; C538-C576 VanDerWaalsContact SG-CA 3.51Å; C538-C576 WeakPolarHBondContact SG-CB 3.37Å; C538-C576 CovalentContact SG-SG 2.04Å; C538-C576 PolarHBondContact SG-SG 3.41Å; G539-C576 PolarHBondContact N-SG 2.02Å; E574-C576 PolarHBondContact O-N 3.01Å
577	P	84.9	Confident	83.6	Confident	109 Å²	109	64.3 Å²	64.3	71%	0.708	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-53.8	153.7	164	-22.3	33.8	0	0	0	111.3	T579	P577-T579 PolarHBondContact O-N 2.75Å
578	D	67.6	Low	83.7	Confident	158 Å²	158	64.3 Å²	64.3	85%	0.845	35%	0.349	S	S	*	.			trans	-63.4	100.7	-178.1	-81	-55.6	0	0	0	112.3	N580	D578-N580 PolarHBondContact O-N 2.9Å
579	T	59.9	Low	83.5	Confident	68 Å²	68	60.7 Å²	60.7	42%	0.417	34%	0.335	S	S	.	.			trans	-80.5	61.1	175.9	51	0	0	0	0	111.5	P577 G581 L582 E587	P577-T579 PolarHBondContact O-N 2.75Å; T579-G581 PolarHBondContact O-N 3.1Å; T579-L582 WeakPolarHBondContact O-CB 3.49Å; T579-L582 PolarHBondContact O-N 3.1Å; T579-L582 PolarHBondContact OG1-O 3.1Å; T579-E587 WeakPolarHBondContact CB-OE1 3.43Å; T579-E587 PolarHBondContact OG1-OE1 3.21Å
580	N	61.8	Low	83.1	Confident	162 Å²	162	58.4 Å²	58.4	87%	0.866	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	22.9	-177.2	-63.2	-29	0	0	0	114.5	D578	D578-N580 PolarHBondContact O-N 2.9Å
581	G	66.4	Low	82.6	Confident	25 Å²	25	60.9 Å²	60.9	26%	0.258	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	20.7	-176.6	0	0	0	0	0	114.8	T579 Q759 G760	T579-G581 PolarHBondContact O-N 3.1Å; G581-Q759 CarbonylContact O-C 3.3Å; G581-G760 WeakPolarHBondContact O-CA 3.36Å; G581-G760 PolarHBondContact O-N 2.93Å
582	L	74.6	Confident	81.9	Confident	73 Å²	73	61.2 Å²	61.2	38%	0.382	35%	0.351	S	S	.	.			trans	-87.1	150.9	171.7	-64.6	175.8	0	0	0	111.6	T579 E586 E587 L590	T579-L582 WeakPolarHBondContact O-CB 3.49Å; T579-L582 PolarHBondContact O-N 3.1Å; T579-L582 PolarHBondContact OG1-O 3.1Å; L582-E586 HydrophobicContact CD2-CB 4.36Å; L582-E587 HydrophobicContact CB-CG 4.27Å; L582-L590 HydrophobicContact CD1-CD1 3.88Å; L582-L590 HydrophobicContact CD2-CD1 4.41Å
583	S	82.4	Confident	80.9	Confident	32 Å²	32	60.3 Å²	60.3	22%	0.224	35%	0.347	C	S	.	.			trans	-89.4	151.6	167.1	69.6	0	0	0	0	111.7	R585 E586 E587	S583-R585 PolarHBondContact O-N 3.48Å; S583-E586 VanDerWaalsContact CB-OE2 3.23Å; S583-E586 WeakPolarHBondContact CB-OE2 3.34Å; S583-E586 PolarHBondContact N-OE2 3.47Å; S583-E586 WeakPolarHBondContact O-CA 3.41Å; S583-E586 WeakPolarHBondContact O-CB 3.41Å; S583-E586 PolarHBondContact O-N 3.38Å; S583-E586 PolarHBondContact OG-N 3.14Å; S583-E586 PolarHBondContact OG-OE2 2.99Å; S583-E587 PolarHBondContact O-N 3.32Å
584	F	87.5	Confident	79.5	Confident	53 Å²	53	65.1 Å²	65.1	23%	0.232	37%	0.371	C	S	.	.	H	α-helix	trans	-56.8	-17.2	177.4	-173.1	-116.2	0	0	0	114.3	R536 E587 Q588 A642 T645	R536-F584 VanDerWaalsContact CD-CE1 3.42Å; R536-F584 HydrophobicContact CG-CE1 3.86Å; R536-F584 HydrophobicContact CG-CZ 3.81Å; R536-F584 VanDerWaalsContact NE-CD1 3.27Å; R536-F584 VanDerWaalsContact NE-CE1 3.27Å; F584-E587 WeakPolarHBondContact CD2-OE2 3.47Å; F584-Q588 VanDerWaalsContact CD1-NE2 3.33Å; F584-Q588 WeakPolarHBondContact O-CG 3.23Å; F584-Q588 PolarHBondContact O-N 3.23Å; F584-Q588 PolarHBondContact O-NE2 2.94Å; F584-A642 HydrophobicContact CE1-CB 3.85Å; F584-A642 HydrophobicContact CZ-CB 3.99Å; F584-T645 HydrophobicContact CD1-CG2 4.36Å; F584-T645 VanDerWaalsContact CD1-OG1 3.29Å; F584-T645 WeakPolarHBondContact CD1-OG1 3.42Å; F584-T645 VanDerWaalsContact CE1-OG1 3.31Å; F584-T645 WeakPolarHBondContact CE1-OG1 3.16Å
585	R	89.4	Confident	77.7	Confident	8 Å²	8	65.2 Å²	65.2	3%	0.03	37%	0.372	C	S	.	.	H	α-helix	trans	-88.1	-29.6	171.4	-167.6	176.3	-71.2	-159.6	-4.9	112.9	S583 Q588 C589 P611 R621 L624 T645 P646 C655	S583-R585 PolarHBondContact O-N 3.48Å; R585-Q588 PolarHBondContact O-N 3.38Å; R585-C589 PolarHBondContact O-N 3.33Å; R585-C589 VanDerWaalsContact O-N 3.1Å; R585-P611 HydrophobicContact CB-CG 4.24Å; R585-P611 HydrophobicContact CG-CB 4.17Å; R585-P611 HydrophobicContact CG-CG 3.91Å; R585-R621 VanDerWaalsContact CZ-O 3.3Å; R585-R621 PolarHBondContact NH1-O 2.76Å; R585-R621 PolarHBondContact NH2-O 3.02Å; R585-L624 HydrophobicContact CG-CD1 4.25Å; R585-T645 HydrophobicContact CB-CG2 3.94Å; R585-T645 HydrophobicContact CG-CG2 4.39Å; R585-P646 PolarHBondContact NH2-O 2.75Å; R585-C655 PolarHBondContact NH2-SG 3.28Å
586	E	86.2	Confident	76.1	Confident	18 Å²	18	60.4 Å²	60.4	8%	0.084	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-46.8	169.3	-77	154.3	147.6	0	0	110.1	L582 S583 Q588 C589 L590 P611 T757	L582-E586 HydrophobicContact CD2-CB 4.36Å; S583-E586 VanDerWaalsContact CB-OE2 3.23Å; S583-E586 WeakPolarHBondContact CB-OE2 3.34Å; S583-E586 PolarHBondContact N-OE2 3.47Å; S583-E586 WeakPolarHBondContact O-CA 3.41Å; S583-E586 WeakPolarHBondContact O-CB 3.41Å; S583-E586 PolarHBondContact O-N 3.38Å; S583-E586 PolarHBondContact OG-N 3.14Å; S583-E586 PolarHBondContact OG-OE2 2.99Å; E586-Q588 VanDerWaalsContact C-N 3.27Å; E586-Q588 PolarHBondContact O-N 2.97Å; E586-C589 PolarHBondContact O-N 2.96Å; E586-L590 VanDerWaalsContact O-CG 3.3Å; E586-L590 WeakPolarHBondContact O-CG 3.03Å; E586-L590 PolarHBondContact O-N 3.02Å; E586-P611 HydrophobicContact CB-CG 4.4Å; E586-P611 HydrophobicContact CG-CG 3.66Å; E586-T757 VanDerWaalsContact OE1-CG2 3.28Å; E586-T757 WeakPolarHBondContact OE1-CG2 3.42Å
587	E	87.4	Confident	74.2	Confident	60 Å²	60	63.4 Å²	63.4	28%	0.28	37%	0.371	S	S	.	.	H	α-helix	trans	-51.6	-44.8	171.9	-66	167.5	-171.8	0	0	111.9	T579 L582 S583 F584 C589 L590 A591	T579-E587 WeakPolarHBondContact CB-OE1 3.43Å; T579-E587 PolarHBondContact OG1-OE1 3.21Å; L582-E587 HydrophobicContact CB-CG 4.27Å; S583-E587 PolarHBondContact O-N 3.32Å; F584-E587 WeakPolarHBondContact CD2-OE2 3.47Å; E587-C589 PolarHBondContact O-N 3.02Å; E587-L590 PolarHBondContact O-N 2.87Å; E587-A591 WeakPolarHBondContact O-CB 3.06Å; E587-A591 PolarHBondContact O-N 2.77Å; E587-A591 VanDerWaalsContact O-N 3.09Å
588	Q	90.4	Very high	72.3	Confident	26 Å²	26	66.2 Å²	66.2	12%	0.121	38%	0.375	C	S	.	.	H	α-helix	trans	-67.5	-29.7	176.5	-78	171.3	79.2	0	0	114.8	F584 R585 E586 H592 L624 T645	F584-Q588 VanDerWaalsContact CD1-NE2 3.33Å; F584-Q588 WeakPolarHBondContact O-CG 3.23Å; F584-Q588 PolarHBondContact O-N 3.23Å; F584-Q588 PolarHBondContact O-NE2 2.94Å; R585-Q588 PolarHBondContact O-N 3.38Å; E586-Q588 VanDerWaalsContact C-N 3.27Å; E586-Q588 PolarHBondContact O-N 2.97Å; Q588-H592 PolarHBondContact O-CD2 2.82Å; Q588-L624 HydrophobicContact CB-CD1 3.81Å; Q588-L624 HydrophobicContact CB-CD2 4.35Å; Q588-T645 PolarHBondContact NE2-OG1 3.22Å
589	C	87	Confident	71.4	Confident	0 Å²	0	62 Å²	62	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-76.1	-45.2	172.5	-74.5	0	0	0	0	111	R585 E586 E587 A591 H592 W609 C626	R585-C589 PolarHBondContact O-N 3.33Å; R585-C589 VanDerWaalsContact O-N 3.1Å; E586-C589 PolarHBondContact O-N 2.96Å; E587-C589 PolarHBondContact O-N 3.02Å; C589-A591 PolarHBondContact O-N 3.49Å; C589-H592 PolarHBondContact O-N 3.32Å; C589-W609 HydrophobicContact CB-CB 3.98Å; C589-W609 VanDerWaalsContact CB-O 3.31Å; C589-W609 WeakPolarHBondContact CB-O 3.02Å; C589-C626 VanDerWaalsContact CA-SG 3.59Å; C589-C626 HydrophobicContact CB-CB 3.95Å; C589-C626 WeakPolarHBondContact CB-SG 3.45Å; C589-C626 WeakPolarHBondContact SG-CB 3.43Å; C589-C626 CovalentContact SG-SG 2.04Å; C589-C626 PolarHBondContact SG-SG 3.21Å
590	L	84.5	Confident	70.6	Confident	48 Å²	48	64.8 Å²	64.8	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-31.2	-178.5	-68.3	169.5	0	0	0	112.6	L582 E586 E587 H592 N593 E608	L582-L590 HydrophobicContact CD1-CD1 3.88Å; L582-L590 HydrophobicContact CD2-CD1 4.41Å; E586-L590 VanDerWaalsContact O-CG 3.3Å; E586-L590 WeakPolarHBondContact O-CG 3.03Å; E586-L590 PolarHBondContact O-N 3.02Å; E587-L590 PolarHBondContact O-N 2.87Å; L590-H592 PolarHBondContact O-N 2.85Å; L590-N593 WeakPolarHBondContact CD2-ND2 3.3Å; L590-N593 WeakPolarHBondContact O-CB 3.29Å; L590-N593 VanDerWaalsContact O-CG 3.23Å; L590-N593 PolarHBondContact O-N 2.89Å; L590-E608 HydrophobicContact CD2-CG 3.83Å
591	A	83.6	Confident	69.9	Low	73 Å²	73	60.8 Å²	60.8	60%	0.603	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	0.5	172.1	0	0	0	0	0	115.2	E587 C589	E587-A591 WeakPolarHBondContact O-CB 3.06Å; E587-A591 PolarHBondContact O-N 2.77Å; E587-A591 VanDerWaalsContact O-N 3.09Å; C589-A591 PolarHBondContact O-N 3.49Å
592	H	80.4	Confident	68.6	Low	18 Å²	18	63.2 Å²	63.2	8%	0.083	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	6.7	171.2	-68.8	-97.1	0	0	0	113.4	Q588 C589 L590 D594 M595 L624 L637 K638	Q588-H592 PolarHBondContact O-CD2 2.82Å; C589-H592 PolarHBondContact O-N 3.32Å; L590-H592 PolarHBondContact O-N 2.85Å; H592-D594 VanDerWaalsContact C-N 3.25Å; H592-D594 PolarHBondContact O-N 3.11Å; H592-M595 WeakPolarHBondContact ND1-CE 3.19Å; H592-M595 VanDerWaalsContact O-CB 3.26Å; H592-M595 WeakPolarHBondContact O-CB 3.34Å; H592-M595 PolarHBondContact O-N 2.91Å; H592-M595 VanDerWaalsContact O-N 3.08Å; H592-L624 WeakPolarHBondContact NE2-CD2 3.26Å; H592-L637 HydrophobicContact CB-CD1 3.71Å; H592-L637 PolarHBondContact CE1-O 3.07Å; H592-L637 VanDerWaalsContact CE1-O 3.3Å; H592-K638 WeakPolarHBondContact CE1-CE 3.49Å; H592-K638 WeakPolarHBondContact NE2-CD 3.44Å; H592-K638 WeakPolarHBondContact NE2-CE 3.43Å; H592-K638 WeakPolarHBondContact NE2-CG 3.28Å; H592-K638 PolarHBondContact NE2-NZ 3.44Å
593	N	72.9	Confident	67	Low	44 Å²	44	64.9 Å²	64.9	24%	0.235	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-57.5	-37.4	178	-73.1	-2.5	0	0	0	112.3	L590 M595 S596 V607 W609	L590-N593 WeakPolarHBondContact CD2-ND2 3.3Å; L590-N593 WeakPolarHBondContact O-CB 3.29Å; L590-N593 VanDerWaalsContact O-CG 3.23Å; L590-N593 PolarHBondContact O-N 2.89Å; N593-M595 VanDerWaalsContact C-N 3.27Å; N593-M595 PolarHBondContact O-N 2.96Å; N593-S596 WeakPolarHBondContact O-CB 3.24Å; N593-S596 PolarHBondContact O-N 2.81Å; N593-S596 PolarHBondContact O-OG 3.48Å; N593-V607 PolarHBondContact OD1-O 2.92Å; N593-W609 PolarHBondContact OD1-N 2.9Å
594	D	61.3	Low	65	Low	147 Å²	147	69.1 Å²	69.1	79%	0.786	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-67.7	-26.8	178.9	-54.9	-42.3	0	0	0	112.9	H592 S596 A597	H592-D594 VanDerWaalsContact C-N 3.25Å; H592-D594 PolarHBondContact O-N 3.11Å; D594-S596 PolarHBondContact O-N 2.03Å; D594-A597 PolarHBondContact O-N 2.9Å
595	M	53.5	Low	63.2	Low	99 Å²	99	72.7 Å²	72.7	49%	0.488	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-67.6	-17.4	178.4	-157.6	171	-68.1	0	0	112.4	H592 N593 A597 Q598	H592-M595 WeakPolarHBondContact ND1-CE 3.19Å; H592-M595 VanDerWaalsContact O-CB 3.26Å; H592-M595 WeakPolarHBondContact O-CB 3.34Å; H592-M595 PolarHBondContact O-N 2.91Å; H592-M595 VanDerWaalsContact O-N 3.08Å; N593-M595 VanDerWaalsContact C-N 3.27Å; N593-M595 PolarHBondContact O-N 2.96Å; M595-A597 PolarHBondContact O-N 2.92Å; M595-Q598 PolarHBondContact O-N 2.9Å; M595-Q598 VanDerWaalsContact O-N 3.13Å
596	S	50.8	Low	61.5	Low	14 Å²	14	75.8 Å²	75.8	10%	0.098	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-60.3	-26.2	179.2	-47.3	0	0	0	0	113.3	N593 D594 Q598 V599 V607 W609	N593-S596 WeakPolarHBondContact O-CB 3.24Å; N593-S596 PolarHBondContact O-N 2.81Å; N593-S596 PolarHBondContact O-OG 3.48Å; D594-S596 PolarHBondContact O-N 2.03Å; S596-Q598 PolarHBondContact O-N 3.16Å; S596-V599 PolarHBondContact O-N 3.21Å; S596-V599 VanDerWaalsContact O-N 3.11Å; S596-V607 WeakPolarHBondContact OG-CB 3.4Å; S596-V607 PolarHBondContact OG-O 2.77Å; S596-W609 PolarHBondContact OG-NE1 2.72Å; S596-W609 VanDerWaalsContact OG-NE1 3.16Å
597	A	44.8	Very low	60.5	Low	97 Å²	97	76.6 Å²	76.6	80%	0.802	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-62.7	-19.7	177.1	0	0	0	0	0	113.7	D594 M595	D594-A597 PolarHBondContact O-N 2.9Å; M595-A597 PolarHBondContact O-N 2.92Å
598	Q	46.7	Very low	59.8	Low	168 Å²	168	77.4 Å²	77.4	79%	0.785	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-91	-10.7	177.5	-63.7	-177	-12.4	0	0	113.5	M595 S596	M595-Q598 PolarHBondContact O-N 2.9Å; M595-Q598 VanDerWaalsContact O-N 3.13Å; S596-Q598 PolarHBondContact O-N 3.16Å
599	V	47.5	Very low	59.4	Low	69 Å²	69	76.7 Å²	76.7	42%	0.418	49%	0.49	S	S	.	.	S	Bend	trans	-109.6	102.1	-176.8	-171.2	0	0	0	0	109.1	S596 L601	S596-V599 PolarHBondContact O-N 3.21Å; S596-V599 VanDerWaalsContact O-N 3.11Å; V599-L601 HydrophobicContact CG1-CD1 3.78Å; V599-L601 HydrophobicContact CG1-CG 3.99Å; V599-L601 PolarHBondContact O-N 2.73Å
600	S	43.6	Very low	59.3	Low	127 Å²	127	77.8 Å²	77.8	89%	0.888	50%	0.496	S	S	*	.			trans	-70.7	64	-172.7	-49.1	0	0	0	0	114.3	G602	S600-G602 PolarHBondContact O-N 3.42Å
601	L	46.4	Very low	59.4	Low	77 Å²	77	75.9 Å²	75.9	40%	0.403	49%	0.487	S	S	.	.			trans	-82.1	17.8	-179.7	-83.8	161.9	0	0	0	114.5	V599 S603	V599-L601 HydrophobicContact CG1-CD1 3.78Å; V599-L601 HydrophobicContact CG1-CG 3.99Å; V599-L601 PolarHBondContact O-N 2.73Å; L601-S603 PolarHBondContact O-N 2.5Å
602	G	39.7	Very low	59.6	Low	77 Å²	77	74.6 Å²	74.6	79%	0.794	47%	0.468	S	S	*	.	S	Bend	trans	70.6	24.9	164.1	0	0	0	0	0	116.3	S600	S600-G602 PolarHBondContact O-N 3.42Å
603	S	41.5	Very low	59.7	Low	108 Å²	108	75.3 Å²	75.3	76%	0.755	47%	0.47	S	S	*	.			trans	-135.9	144.6	171.1	-68.2	0	0	0	0	110	L601 D605	L601-S603 PolarHBondContact O-N 2.5Å; S603-D605 VanDerWaalsContact C-N 3.3Å
604	S	39.5	Very low	59.9	Low	121 Å²	121	74.1 Å²	74.1	85%	0.846	47%	0.466	S	S	*	.	S	Bend	trans	-75.6	-17.7	-176.4	51.2	0	0	0	0	114.1
605	D	49	Very low	60.4	Low	128 Å²	128	70.8 Å²	70.8	68%	0.684	47%	0.467	S	S	*	.	S	Bend	trans	-100.1	138.2	-172.5	-54.4	-14.4	0	0	0	109.6	S603	S603-D605 VanDerWaalsContact C-N 3.3Å
606	G	55.5	Low	61.6	Low	73 Å²	73	67.3 Å²	67.3	75%	0.753	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-61.7	141.8	-172.8	0	0	0	0	0	113.8	E608	G606-E608 PolarHBondContact O-N 2.79Å
607	V	64.6	Low	62.8	Low	35 Å²	35	68.7 Å²	68.7	21%	0.212	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-76.9	119.3	-180	176.6	0	0	0	0	110.7	N593 S596 W609 A628	N593-V607 PolarHBondContact OD1-O 2.92Å; S596-V607 WeakPolarHBondContact OG-CB 3.4Å; S596-V607 PolarHBondContact OG-O 2.77Å; V607-W609 HydrophobicContact CB-CZ2 4.44Å; V607-W609 HydrophobicContact CG1-CD2 4.03Å; V607-W609 HydrophobicContact CG1-CE3 4.47Å; V607-W609 HydrophobicContact CG1-CH2 4.26Å; V607-W609 HydrophobicContact CG1-CZ2 3.81Å; V607-A628 HydrophobicContact CG1-CB 3.36Å
608	E	73	Confident	64.3	Low	77 Å²	77	68.9 Å²	68.9	36%	0.36	45%	0.454	S	S	.	.			trans	-83.2	113.6	170.6	-168	-171.8	141.1	0	0	110.3	L590 G606 K629	L590-E608 HydrophobicContact CD2-CG 3.83Å; G606-E608 PolarHBondContact O-N 2.79Å; E608-K629 HydrophobicContact CB-CB 4.18Å; E608-K629 HydrophobicContact CB-CD 4.15Å; E608-K629 HydrophobicContact CG-CD 4.08Å; E608-K629 VanDerWaalsContact O-CB 3.3Å; E608-K629 WeakPolarHBondContact O-CB 3.33Å; E608-K629 PolarHBondContact O-N 2.91Å; E608-K629 WeakPolarHBondContact OE1-CD 3.14Å; E608-K629 WeakPolarHBondContact OE1-CE 3.2Å; E608-K629 IonicContact OE1-NZ 3.5Å; E608-K629 PolarHBondContact OE1-NZ 2.89Å; E608-K629 WeakPolarHBondContact OE2-CD 3.25Å; E608-K629 WeakPolarHBondContact OE2-CE 3.31Å; E608-K629 IonicContact OE2-NZ 2.76Å; E608-K629 PolarHBondContact OE2-NZ 3.46Å
609	W	81.1	Confident	65.6	Low	10 Å²	10	69.8 Å²	69.8	4%	0.038	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.4	179.8	-65.6	102.4	0	0	0	112.1	C589 N593 S596 V607 C626 A628 F635 L637	C589-W609 HydrophobicContact CB-CB 3.98Å; C589-W609 VanDerWaalsContact CB-O 3.31Å; C589-W609 WeakPolarHBondContact CB-O 3.02Å; N593-W609 PolarHBondContact OD1-N 2.9Å; S596-W609 PolarHBondContact OG-NE1 2.72Å; S596-W609 VanDerWaalsContact OG-NE1 3.16Å; V607-W609 HydrophobicContact CB-CZ2 4.44Å; V607-W609 HydrophobicContact CG1-CD2 4.03Å; V607-W609 HydrophobicContact CG1-CE3 4.47Å; V607-W609 HydrophobicContact CG1-CH2 4.26Å; V607-W609 HydrophobicContact CG1-CZ2 3.81Å; W609-C626 HydrophobicContact CB-CB 4.16Å; W609-C626 HydrophobicContact CE3-CB 3.98Å; W609-A628 HydrophobicContact CE3-CB 4.43Å; W609-A628 HydrophobicContact CH2-CB 4.32Å; W609-A628 HydrophobicContact CZ3-CB 4.04Å; W609-F635 AromaticContact CH2-CD2 3.46Å; W609-F635 HydrophobicContact CH2-CD2 3.46Å; W609-F635 VanDerWaalsContact CH2-CD2 3.46Å; W609-F635 AromaticContact CH2-CE2 3.94Å; W609-F635 HydrophobicContact CH2-CE2 3.94Å; W609-F635 HydrophobicContact CH2-CG 4.26Å; W609-F635 HydrophobicContact CZ3-CB 4.48Å; W609-F635 AromaticContact CZ3-CD2 3.72Å; W609-F635 HydrophobicContact CZ3-CD2 3.72Å; W609-F635 HydrophobicContact CZ3-CE2 4.48Å; W609-L637 HydrophobicContact CD2-CD1 4.14Å; W609-L637 HydrophobicContact CE3-CD1 4.46Å; W609-L637 HydrophobicContact CG-CD1 4.13Å
610	V	84.8	Confident	67.2	Low	23 Å²	23	68.8 Å²	68.8	14%	0.139	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.5	174.2	-59	0	0	0	0	110.9	C626 R627 K629	V610-C626 CarbonylContact O-C 3.51Å; V610-C626 WeakPolarHBondContact O-CA 3.21Å; V610-R627 HydrophobicContact CG2-CG 3.66Å; V610-R627 PolarHBondContact N-O 2.95Å; V610-R627 WeakPolarHBondContact O-CG 3.44Å; V610-R627 PolarHBondContact O-N 3.03Å; V610-K629 HydrophobicContact CG1-CB 4.41Å; V610-K629 HydrophobicContact CG1-CD 4.45Å
611	P	88.1	Confident	69.4	Low	8 Å²	8	67.5 Å²	67.5	5%	0.052	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	150.9	-177.5	-25.7	36	0	0	0	113.9	R585 E586 Y613	R585-P611 HydrophobicContact CB-CG 4.24Å; R585-P611 HydrophobicContact CG-CB 4.17Å; R585-P611 HydrophobicContact CG-CG 3.91Å; E586-P611 HydrophobicContact CB-CG 4.4Å; E586-P611 HydrophobicContact CG-CG 3.66Å; P611-Y613 HydrophobicContact CB-CD2 4.43Å; P611-Y613 HydrophobicContact CB-CE2 3.76Å
612	K	86.8	Confident	71.5	Confident	47 Å²	47	63.9 Å²	63.9	20%	0.204	40%	0.404	C	S	.	.			trans	-113.6	121.5	170.6	179.2	173.8	168.5	59.2	0	109	A614 V616 V625 F634	K612-A614 WeakPolarHBondContact CE-O 3.41Å; K612-A614 WeakPolarHBondContact CG-O 3.41Å; K612-A614 PolarHBondContact NZ-O 3.07Å; K612-V616 HydrophobicContact CG-CG2 4.15Å; K612-V616 VanDerWaalsContact O-CG2 3.3Å; K612-V616 WeakPolarHBondContact O-CG2 3.36Å; K612-V625 HydrophobicContact CB-CG1 4.18Å; K612-V625 HydrophobicContact CD-CG1 4.3Å; K612-V625 PolarHBondContact N-O 3.02Å; K612-F634 HydrophobicContact CD-CB 3.53Å; K612-F634 HydrophobicContact CD-CD1 4.01Å; K612-F634 HydrophobicContact CD-CD2 3.77Å; K612-F634 HydrophobicContact CD-CE2 4.5Å; K612-F634 HydrophobicContact CD-CG 3.48Å; K612-F634 VanDerWaalsContact CD-CG 3.48Å
613	Y	83.4	Confident	73.9	Confident	33 Å²	33	64 Å²	64	13%	0.129	38%	0.383	C	S	.	.			trans	-113	-41.6	172.1	-53.1	-84.6	0	0	0	111.1	P611 G615 V616 P649 D755 L762	P611-Y613 HydrophobicContact CB-CD2 4.43Å; P611-Y613 HydrophobicContact CB-CE2 3.76Å; Y613-G615 PolarHBondContact O-N 3.46Å; Y613-V616 PolarHBondContact O-N 3.2Å; Y613-V616 VanDerWaalsContact O-N 3.15Å; Y613-P649 HydrophobicContact CD2-CG 4.16Å; Y613-P649 HydrophobicContact CE1-CG 4.18Å; Y613-P649 HydrophobicContact CE2-CG 3.61Å; Y613-D755 WeakPolarHBondContact CB-OD2 3.14Å; Y613-D755 PolarHBondContact N-OD2 2.03Å; Y613-L762 HydrophobicContact CD2-CD2 4.32Å
614	A	75.8	Confident	76.2	Confident	18 Å²	18	58.8 Å²	58.8	15%	0.149	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	125.4	171.9	0	0	0	0	0	111.6	K612 D755	K612-A614 WeakPolarHBondContact CE-O 3.41Å; K612-A614 WeakPolarHBondContact CG-O 3.41Å; K612-A614 PolarHBondContact NZ-O 3.07Å; A614-D755 WeakPolarHBondContact CB-OD2 3.34Å; A614-D755 PolarHBondContact N-OD2 2.78Å
615	G	71.3	Confident	78.5	Confident	78 Å²	78	53.4 Å²	53.4	80%	0.804	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	0.3	-177.1	0	0	0	0	0	116.1	Y613	Y613-G615 PolarHBondContact O-N 3.46Å
616	V	79.4	Confident	80.3	Confident	25 Å²	25	47.3 Å²	47.3	15%	0.152	28%	0.276	C	S	.	.			trans	-85.2	128.5	177.2	-178.7	0	0	0	0	110.8	K612 Y613 D620 V625	K612-V616 HydrophobicContact CG-CG2 4.15Å; K612-V616 VanDerWaalsContact O-CG2 3.3Å; K612-V616 WeakPolarHBondContact O-CG2 3.36Å; Y613-V616 PolarHBondContact O-N 3.2Å; Y613-V616 VanDerWaalsContact O-N 3.15Å; V616-D620 HydrophobicContact CG1-CB 3.84Å; V616-V625 HydrophobicContact CG1-CG2 4.25Å; V616-V625 HydrophobicContact CG2-CB 4.22Å; V616-V625 HydrophobicContact CG2-CG1 4.18Å; V616-V625 HydrophobicContact CG2-CG2 4.3Å
617	S	75.4	Confident	81.6	Confident	44 Å²	44	47.6 Å²	47.6	31%	0.308	25%	0.254	S	S	.	.			trans	-61.5	150.4	-178.8	112.1	0	0	0	0	111.6	K619 D620 R621	S617-K619 PolarHBondContact O-N 3.37Å; S617-K619 VanDerWaalsContact O-N 3.13Å; S617-K619 PolarHBondContact OG-N 3.18Å; S617-K619 VanDerWaalsContact OG-N 3.15Å; S617-D620 WeakPolarHBondContact CB-OD2 3.35Å; S617-D620 PolarHBondContact O-N 3.01Å; S617-D620 PolarHBondContact OG-N 3.11Å; S617-D620 PolarHBondContact OG-OD2 3.5Å; S617-R621 WeakPolarHBondContact O-CG 3.45Å; S617-R621 PolarHBondContact O-N 2.95Å
618	P	78	Confident	81.9	Confident	101 Å²	101	46.1 Å²	46.1	66%	0.656	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28	176	-26.5	35.8	0	0	0	114.7
619	K	73.3	Confident	81.7	Confident	187 Å²	187	48 Å²	48	81%	0.813	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-32.1	175.7	-64.4	-176.3	179.2	-178.3	0	111.9	S617	S617-K619 PolarHBondContact O-N 3.37Å; S617-K619 VanDerWaalsContact O-N 3.13Å; S617-K619 PolarHBondContact OG-N 3.18Å; S617-K619 VanDerWaalsContact OG-N 3.15Å
620	D	82	Confident	80.5	Confident	47 Å²	47	51.5 Å²	51.5	25%	0.251	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2	-173.2	-59.4	-72.9	0	0	0	114	V616 S617 C622 K623	V616-D620 HydrophobicContact CG1-CB 3.84Å; S617-D620 WeakPolarHBondContact CB-OD2 3.35Å; S617-D620 PolarHBondContact O-N 3.01Å; S617-D620 PolarHBondContact OG-N 3.11Å; S617-D620 PolarHBondContact OG-OD2 3.5Å; D620-C622 PolarHBondContact O-N 3.43Å; D620-K623 HydrophobicContact CB-CD 4.12Å; D620-K623 HydrophobicContact CB-CG 4.47Å; D620-K623 WeakPolarHBondContact O-CB 3.44Å; D620-K623 PolarHBondContact O-N 3.4Å; D620-K623 WeakPolarHBondContact OD1-CD 3.49Å; D620-K623 WeakPolarHBondContact OD1-CE 3.5Å; D620-K623 IonicContact OD1-NZ 2.65Å; D620-K623 PolarHBondContact OD1-NZ 3.28Å
621	R	87.9	Confident	79.4	Confident	100 Å²	100	53.4 Å²	53.4	38%	0.377	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-15	-177.4	-75.9	-178.1	180	-163.4	-1.5	115.8	R585 S617 C647	R585-R621 VanDerWaalsContact CZ-O 3.3Å; R585-R621 PolarHBondContact NH1-O 2.76Å; R585-R621 PolarHBondContact NH2-O 3.02Å; S617-R621 WeakPolarHBondContact O-CG 3.45Å; S617-R621 PolarHBondContact O-N 2.95Å; R621-C647 HydrophobicContact CB-CB 4.45Å
622	C	92.1	Very high	77.8	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.007	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	10.7	177.8	-69.1	0	0	0	0	113.7	D620 K640 V641 C655 G658	D620-C622 PolarHBondContact O-N 3.43Å; C622-K640 CarbonylContact O-C 3.53Å; C622-K640 VanDerWaalsContact O-CA 3.28Å; C622-K640 WeakPolarHBondContact O-CA 3.29Å; C622-V641 HydrophobicContact CB-CG2 4.42Å; C622-V641 PolarHBondContact O-N 2.88Å; C622-C655 WeakPolarHBondContact CA-SG 3.46Å; C622-C655 HydrophobicContact CB-CB 3.69Å; C622-C655 WeakPolarHBondContact CB-SG 3.46Å; C622-C655 WeakPolarHBondContact SG-CA 3.37Å; C622-C655 WeakPolarHBondContact SG-CB 3.44Å; C622-C655 CovalentContact SG-SG 2.03Å; C622-C655 PolarHBondContact SG-SG 3.41Å; C622-G658 VanDerWaalsContact CB-C 3.48Å; C622-G658 VanDerWaalsContact CB-O 3.28Å; C622-G658 WeakPolarHBondContact CB-O 3.33Å
623	K	89.3	Confident	76.6	Confident	79 Å²	79	61.4 Å²	61.4	34%	0.343	36%	0.355	S	S	.	.	S	Bend	trans	-78.1	153.9	157.5	-60.4	-175.6	171.8	165.5	0	109.4	D620 V625 V636 P639	D620-K623 HydrophobicContact CB-CD 4.12Å; D620-K623 HydrophobicContact CB-CG 4.47Å; D620-K623 WeakPolarHBondContact O-CB 3.44Å; D620-K623 PolarHBondContact O-N 3.4Å; D620-K623 WeakPolarHBondContact OD1-CD 3.49Å; D620-K623 WeakPolarHBondContact OD1-CE 3.5Å; D620-K623 IonicContact OD1-NZ 2.65Å; D620-K623 PolarHBondContact OD1-NZ 3.28Å; K623-V625 HydrophobicContact CB-CG2 4.07Å; K623-V625 PolarHBondContact O-N 3.08Å; K623-V625 VanDerWaalsContact O-N 3.1Å; K623-V636 HydrophobicContact CB-CG1 4.07Å; K623-V636 HydrophobicContact CD-CG1 4.24Å; K623-P639 WeakPolarHBondContact CG-O 3.4Å
624	L	89.3	Confident	76.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	83.2	174.7	-176.3	62.5	0	0	0	109.5	R585 Q588 H592 V636 L637 K638 V641	R585-L624 HydrophobicContact CG-CD1 4.25Å; Q588-L624 HydrophobicContact CB-CD1 3.81Å; Q588-L624 HydrophobicContact CB-CD2 4.35Å; H592-L624 WeakPolarHBondContact NE2-CD2 3.26Å; L624-V636 CarbonylContact O-C 3.55Å; L624-L637 HydrophobicContact CD2-CB 4.17Å; L624-L637 HydrophobicContact CG-CB 4.38Å; L624-L637 PolarHBondContact O-N 3.38Å; L624-K638 HydrophobicContact CB-CB 3.86Å; L624-K638 HydrophobicContact CD2-CB 4.02Å; L624-K638 HydrophobicContact CD2-CD 4.01Å; L624-K638 HydrophobicContact CD2-CG 4.04Å; L624-K638 PolarHBondContact N-O 2.95Å; L624-V641 HydrophobicContact CB-CG1 3.99Å; L624-V641 HydrophobicContact CD1-CG1 4.07Å
625	V	89.1	Confident	76.1	Confident	8 Å²	8	68.5 Å²	68.5	5%	0.048	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.7	177.6	-164.1	0	0	0	0	109.7	K612 V616 K623 F634 F635 V636	K612-V625 HydrophobicContact CB-CG1 4.18Å; K612-V625 HydrophobicContact CD-CG1 4.3Å; K612-V625 PolarHBondContact N-O 3.02Å; V616-V625 HydrophobicContact CG1-CG2 4.25Å; V616-V625 HydrophobicContact CG2-CB 4.22Å; V616-V625 HydrophobicContact CG2-CG1 4.18Å; V616-V625 HydrophobicContact CG2-CG2 4.3Å; K623-V625 HydrophobicContact CB-CG2 4.07Å; K623-V625 PolarHBondContact O-N 3.08Å; K623-V625 VanDerWaalsContact O-N 3.1Å; V625-F634 HydrophobicContact CG1-CD2 3.99Å; V625-F635 WeakPolarHBondContact CA-O 3.48Å; V625-V636 HydrophobicContact CG2-CG2 4.34Å
626	C	86.4	Confident	76.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153	-178.9	-51.6	0	0	0	0	110.3	C589 W609 V610 F634 F635 L637	C589-C626 VanDerWaalsContact CA-SG 3.59Å; C589-C626 HydrophobicContact CB-CB 3.95Å; C589-C626 WeakPolarHBondContact CB-SG 3.45Å; C589-C626 WeakPolarHBondContact SG-CB 3.43Å; C589-C626 CovalentContact SG-SG 2.04Å; C589-C626 PolarHBondContact SG-SG 3.21Å; W609-C626 HydrophobicContact CB-CB 4.16Å; W609-C626 HydrophobicContact CE3-CB 3.98Å; V610-C626 CarbonylContact O-C 3.51Å; V610-C626 WeakPolarHBondContact O-CA 3.21Å; C626-F634 CarbonylContact O-C 3.57Å; C626-F634 VanDerWaalsContact O-CA 3.25Å; C626-F634 WeakPolarHBondContact O-CA 3.4Å; C626-F634 WeakPolarHBondContact O-CB 3.26Å; C626-F635 PolarHBondContact N-O 2.92Å; C626-F635 PolarHBondContact O-N 2.84Å; C626-L637 HydrophobicContact CB-CD1 3.77Å; C626-L637 HydrophobicContact CB-CG 4.16Å
627	R	83	Confident	76.5	Confident	78 Å²	78	69.5 Å²	69.5	29%	0.294	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.2	173.2	62.8	170.7	176.7	142.2	-6	110.6	V610 K629 Y633 F634 D755	V610-R627 HydrophobicContact CG2-CG 3.66Å; V610-R627 PolarHBondContact N-O 2.95Å; V610-R627 WeakPolarHBondContact O-CG 3.44Å; V610-R627 PolarHBondContact O-N 3.03Å; R627-K629 PolarHBondContact O-N 2.62Å; R627-Y633 VanDerWaalsContact CA-O 3.26Å; R627-Y633 WeakPolarHBondContact CA-O 3.46Å; R627-Y633 WeakPolarHBondContact CB-O 3.49Å; R627-F634 HydrophobicContact CB-CB 3.99Å; R627-D755 PolarHBondContact NH2-O 3.31Å; R627-D755 VanDerWaalsContact NH2-O 3.11Å
628	A	71.3	Confident	76.5	Confident	4 Å²	4	72 Å²	72	3%	0.033	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.3	174.2	0	0	0	0	0	109.3	V607 W609 T631 Y633	V607-A628 HydrophobicContact CG1-CB 3.36Å; W609-A628 HydrophobicContact CE3-CB 4.43Å; W609-A628 HydrophobicContact CH2-CB 4.32Å; W609-A628 HydrophobicContact CZ3-CB 4.04Å; A628-T631 HydrophobicContact CB-CG2 4.14Å; A628-T631 WeakPolarHBondContact CB-OG1 3.3Å; A628-T631 PolarHBondContact O-N 2.99Å; A628-T631 PolarHBondContact O-OG1 3.23Å; A628-Y633 PolarHBondContact N-O 2.85Å; A628-Y633 VanDerWaalsContact N-O 3.08Å
629	K	67.3	Low	76.4	Confident	118 Å²	118	72.5 Å²	72.5	51%	0.513	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	138.3	-176.4	-175	178.8	177	-178.3	0	111.4	E608 V610 R627 T631	E608-K629 HydrophobicContact CB-CB 4.18Å; E608-K629 HydrophobicContact CB-CD 4.15Å; E608-K629 HydrophobicContact CG-CD 4.08Å; E608-K629 VanDerWaalsContact O-CB 3.3Å; E608-K629 WeakPolarHBondContact O-CB 3.33Å; E608-K629 PolarHBondContact O-N 2.91Å; E608-K629 WeakPolarHBondContact OE1-CD 3.14Å; E608-K629 WeakPolarHBondContact OE1-CE 3.2Å; E608-K629 IonicContact OE1-NZ 3.5Å; E608-K629 PolarHBondContact OE1-NZ 2.89Å; E608-K629 WeakPolarHBondContact OE2-CD 3.25Å; E608-K629 WeakPolarHBondContact OE2-CE 3.31Å; E608-K629 IonicContact OE2-NZ 2.76Å; E608-K629 PolarHBondContact OE2-NZ 3.46Å; V610-K629 HydrophobicContact CG1-CB 4.41Å; V610-K629 HydrophobicContact CG1-CD 4.45Å; R627-K629 PolarHBondContact O-N 2.62Å; K629-T631 PolarHBondContact O-N 2.86Å
630	G	57.1	Low	77.1	Confident	83 Å²	83	67.4 Å²	67.4	86%	0.856	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-11.7	-174.3	0	0	0	0	0	115.4
631	T	61.4	Low	77.5	Confident	62 Å²	62	65.3 Å²	65.3	38%	0.38	35%	0.347	S	S	.	.	S	Bend	trans	-110.9	171.3	179.9	86.5	0	0	0	0	112.7	A628 K629 Y633	A628-T631 HydrophobicContact CB-CG2 4.14Å; A628-T631 WeakPolarHBondContact CB-OG1 3.3Å; A628-T631 PolarHBondContact O-N 2.99Å; A628-T631 PolarHBondContact O-OG1 3.23Å; K629-T631 PolarHBondContact O-N 2.86Å; T631-Y633 PolarHBondContact OG1-N 2.88Å; T631-Y633 VanDerWaalsContact OG1-N 3.12Å
632	G	53.6	Low	77.7	Confident	73 Å²	73	62.4 Å²	62.4	75%	0.753	35%	0.345	S	S	*	.	S	Bend	trans	-87.9	-9.3	169.2	0	0	0	0	0	115.1
633	Y	63	Low	77.8	Confident	151 Å²	151	62.9 Å²	62.9	59%	0.592	35%	0.348	S	S	*	.			trans	-78.3	141.5	-172.1	-64	-69.4	0	0	0	112.4	R627 A628 T631	R627-Y633 VanDerWaalsContact CA-O 3.26Å; R627-Y633 WeakPolarHBondContact CA-O 3.46Å; R627-Y633 WeakPolarHBondContact CB-O 3.49Å; A628-Y633 PolarHBondContact N-O 2.85Å; A628-Y633 VanDerWaalsContact N-O 3.08Å; T631-Y633 PolarHBondContact OG1-N 2.88Å; T631-Y633 VanDerWaalsContact OG1-N 3.12Å
634	F	73.9	Confident	77.9	Confident	111 Å²	111	59.2 Å²	59.2	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.8	179.9	72.9	-85.9	0	0	0	111.8	K612 V625 C626 R627	K612-F634 HydrophobicContact CD-CB 3.53Å; K612-F634 HydrophobicContact CD-CD1 4.01Å; K612-F634 HydrophobicContact CD-CD2 3.77Å; K612-F634 HydrophobicContact CD-CE2 4.5Å; K612-F634 HydrophobicContact CD-CG 3.48Å; K612-F634 VanDerWaalsContact CD-CG 3.48Å; V625-F634 HydrophobicContact CG1-CD2 3.99Å; C626-F634 CarbonylContact O-C 3.57Å; C626-F634 VanDerWaalsContact O-CA 3.25Å; C626-F634 WeakPolarHBondContact O-CA 3.4Å; C626-F634 WeakPolarHBondContact O-CB 3.26Å; R627-F634 HydrophobicContact CB-CB 3.99Å
635	F	73.8	Confident	78.1	Confident	89 Å²	89	59.2 Å²	59.2	39%	0.39	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.9	-175.1	-67.9	-98.1	0	0	0	110.4	W609 V625 C626 L637	W609-F635 AromaticContact CH2-CD2 3.46Å; W609-F635 HydrophobicContact CH2-CD2 3.46Å; W609-F635 VanDerWaalsContact CH2-CD2 3.46Å; W609-F635 AromaticContact CH2-CE2 3.94Å; W609-F635 HydrophobicContact CH2-CE2 3.94Å; W609-F635 HydrophobicContact CH2-CG 4.26Å; W609-F635 HydrophobicContact CZ3-CB 4.48Å; W609-F635 AromaticContact CZ3-CD2 3.72Å; W609-F635 HydrophobicContact CZ3-CD2 3.72Å; W609-F635 HydrophobicContact CZ3-CE2 4.48Å; V625-F635 WeakPolarHBondContact CA-O 3.48Å; C626-F635 PolarHBondContact N-O 2.92Å; C626-F635 PolarHBondContact O-N 2.84Å; F635-L637 HydrophobicContact CB-CD2 3.83Å
636	V	80.3	Confident	78.2	Confident	84 Å²	84	61.4 Å²	61.4	51%	0.509	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	99.1	171.6	-176.6	0	0	0	0	107.6	K623 L624 V625	K623-V636 HydrophobicContact CB-CG1 4.07Å; K623-V636 HydrophobicContact CD-CG1 4.24Å; L624-V636 CarbonylContact O-C 3.55Å; V625-V636 HydrophobicContact CG2-CG2 4.34Å
637	L	79.1	Confident	78.3	Confident	39 Å²	39	61.5 Å²	61.5	20%	0.204	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-26.1	-171.6	-55.7	-172.8	0	0	0	113.1	H592 W609 L624 C626 F635	H592-L637 HydrophobicContact CB-CD1 3.71Å; H592-L637 PolarHBondContact CE1-O 3.07Å; H592-L637 VanDerWaalsContact CE1-O 3.3Å; W609-L637 HydrophobicContact CD2-CD1 4.14Å; W609-L637 HydrophobicContact CE3-CD1 4.46Å; W609-L637 HydrophobicContact CG-CD1 4.13Å; L624-L637 HydrophobicContact CD2-CB 4.17Å; L624-L637 HydrophobicContact CG-CB 4.38Å; L624-L637 PolarHBondContact O-N 3.38Å; C626-L637 HydrophobicContact CB-CD1 3.77Å; C626-L637 HydrophobicContact CB-CG 4.16Å; F635-L637 HydrophobicContact CB-CD2 3.83Å
638	K	76.4	Confident	78.4	Confident	98 Å²	98	58 Å²	58	43%	0.426	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.9	172.6	-71.4	178	169.5	149.2	0	111.1	H592 L624 K640	H592-K638 WeakPolarHBondContact CE1-CE 3.49Å; H592-K638 WeakPolarHBondContact NE2-CD 3.44Å; H592-K638 WeakPolarHBondContact NE2-CE 3.43Å; H592-K638 WeakPolarHBondContact NE2-CG 3.28Å; H592-K638 PolarHBondContact NE2-NZ 3.44Å; L624-K638 HydrophobicContact CB-CB 3.86Å; L624-K638 HydrophobicContact CD2-CB 4.02Å; L624-K638 HydrophobicContact CD2-CD 4.01Å; L624-K638 HydrophobicContact CD2-CG 4.04Å; L624-K638 PolarHBondContact N-O 2.95Å; K638-K640 WeakPolarHBondContact CB-O 3.47Å; K638-K640 PolarHBondContact O-N 2.96Å
639	P	75.8	Confident	78.8	Confident	111 Å²	111	60.2 Å²	60.2	72%	0.721	35%	0.348	S	S	*	.	S	Bend	trans	-68.7	-19	-179.7	28.6	-35.9	0	0	0	113.5	K623	K623-P639 WeakPolarHBondContact CG-O 3.4Å
640	K	86.6	Confident	79.2	Confident	79 Å²	79	58.1 Å²	58.1	34%	0.343	34%	0.343	S	S	.	.	S	Bend	trans	-138.9	152.7	163.9	60.4	170.3	178.4	167.8	0	111.2	C622 K638	C622-K640 CarbonylContact O-C 3.53Å; C622-K640 VanDerWaalsContact O-CA 3.28Å; C622-K640 WeakPolarHBondContact O-CA 3.29Å; K638-K640 WeakPolarHBondContact CB-O 3.47Å; K638-K640 PolarHBondContact O-N 2.96Å
641	V	91.6	Very high	80.5	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-76	164.3	160.1	-60.5	0	0	0	0	110.3	C622 L624 T645 C655	C622-V641 HydrophobicContact CB-CG2 4.42Å; C622-V641 PolarHBondContact O-N 2.88Å; L624-V641 HydrophobicContact CB-CG1 3.99Å; L624-V641 HydrophobicContact CD1-CG1 4.07Å; V641-T645 HydrophobicContact CB-CG2 4.29Å; V641-T645 HydrophobicContact CG2-CG2 4.09Å; V641-C655 HydrophobicContact CG2-CB 3.51Å; V641-C655 VanDerWaalsContact CG2-SG 3.53Å
642	A	92.4	Very high	81.7	Confident	39 Å²	39	55.1 Å²	55.1	32%	0.322	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-60.8	141.6	170.4	0	0	0	0	0	111.2	F584 T645	F584-A642 HydrophobicContact CE1-CB 3.85Å; F584-A642 HydrophobicContact CZ-CB 3.99Å; A642-T645 VanDerWaalsContact O-CB 3.24Å; A642-T645 WeakPolarHBondContact O-CB 3.37Å; A642-T645 PolarHBondContact O-N 2.85Å; A642-T645 PolarHBondContact O-OG1 3.35Å
643	D	92.8	Very high	83.5	Confident	12 Å²	12	52.7 Å²	52.7	6%	0.064	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	144.1	-174.2	-65.7	-39.4	0	0	0	111.7	S535 R536 V542 Y544 T645 C655 V656 Q657	S535-D643 PolarHBondContact OG-O 3.33Å; R536-D643 WeakPolarHBondContact CD-O 3.48Å; V542-D643 HydrophobicContact CB-CB 4.1Å; V542-D643 HydrophobicContact CG2-CB 4.03Å; Y544-D643 WeakPolarHBondContact CE2-OD2 3.31Å; Y544-D643 PolarHBondContact OH-OD2 3.46Å; D643-T645 VanDerWaalsContact C-N 3.32Å; D643-C655 WeakPolarHBondContact CA-O 3.03Å; D643-V656 WeakPolarHBondContact OD1-CA 3.48Å; D643-Q657 PolarHBondContact OD1-N 3.49Å
644	G	91.9	Very high	85	Confident	1 Å²	1	46 Å²	46	1%	0.01	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-10.5	-168.8	0	0	0	0	0	114.3	R536 G540 C655	R536-G644 PolarHBondContact NH1-O 3.05Å; G540-G644 CarbonylContact O-C 3.57Å; G540-G644 VanDerWaalsContact O-CA 3.25Å; G540-G644 WeakPolarHBondContact O-CA 3.12Å; G644-C655 PolarHBondContact N-O 3.09Å
645	T	93	Very high	85.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.			trans	-60.9	129.9	170.9	-56.5	0	0	0	0	110.3	F584 R585 Q588 V641 A642 D643 C655	F584-T645 HydrophobicContact CD1-CG2 4.36Å; F584-T645 VanDerWaalsContact CD1-OG1 3.29Å; F584-T645 WeakPolarHBondContact CD1-OG1 3.42Å; F584-T645 VanDerWaalsContact CE1-OG1 3.31Å; F584-T645 WeakPolarHBondContact CE1-OG1 3.16Å; R585-T645 HydrophobicContact CB-CG2 3.94Å; R585-T645 HydrophobicContact CG-CG2 4.39Å; Q588-T645 PolarHBondContact NE2-OG1 3.22Å; V641-T645 HydrophobicContact CB-CG2 4.29Å; V641-T645 HydrophobicContact CG2-CG2 4.09Å; A642-T645 VanDerWaalsContact O-CB 3.24Å; A642-T645 WeakPolarHBondContact O-CB 3.37Å; A642-T645 PolarHBondContact O-N 2.85Å; A642-T645 PolarHBondContact O-OG1 3.35Å; D643-T645 VanDerWaalsContact C-N 3.32Å; T645-C655 WeakPolarHBondContact O-CB 3.46Å; T645-C655 PolarHBondContact O-N 3.18Å; T645-C655 PolarHBondContact O-SG 3.09Å
646	P	90.9	Very high	86.6	Confident	55 Å²	55	36.5 Å²	36.5	36%	0.357	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-56.8	141.8	173.3	-26.2	35.5	0	0	0	112.6	R585 S648 S653	R585-P646 PolarHBondContact NH2-O 2.75Å; P646-S648 VanDerWaalsContact C-N 3.3Å; P646-S648 PolarHBondContact O-N 2.93Å; P646-S653 WeakPolarHBondContact CA-O 3.02Å
647	C	90	Very high	86.6	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.007	20%	0.2	C	C	.	.	S	Bend	trans	-68.1	-31.4	-179.5	-50.5	0	0	0	0	112.8	R621 S653 C660	R621-C647 HydrophobicContact CB-CB 4.45Å; C647-S653 PolarHBondContact N-O 3.33Å; C647-S653 PolarHBondContact SG-O 3.47Å; C647-C660 HydrophobicContact CB-CB 3.97Å; C647-C660 WeakPolarHBondContact CB-SG 3.16Å; C647-C660 WeakPolarHBondContact SG-CA 3.1Å; C647-C660 WeakPolarHBondContact SG-CB 3.38Å; C647-C660 CovalentContact SG-SG 2.03Å; C647-C660 PolarHBondContact SG-SG 2.84Å
648	S	84.9	Confident	86.8	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.042	20%	0.2	C	C	.	.	S	Bend	trans	-159.7	155.7	173.5	58.8	0	0	0	0	109.3	P646 D650 S651	P646-S648 VanDerWaalsContact C-N 3.3Å; P646-S648 PolarHBondContact O-N 2.93Å; S648-D650 WeakPolarHBondContact CB-OD1 3.18Å; S648-D650 PolarHBondContact O-N 2.7Å; S648-D650 VanDerWaalsContact O-N 3.13Å; S648-D650 PolarHBondContact OG-OD1 2.75Å; S648-S651 PolarHBondContact O-N 3.1Å; S648-S651 WeakPolarHBondContact OG-CB 3.36Å
649	P	78.5	Confident	87.1	Confident	49 Å²	49	32 Å²	32	32%	0.318	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.8	-172.4	-23.1	37	0	0	0	114.5	Y613 L762	Y613-P649 HydrophobicContact CD2-CG 4.16Å; Y613-P649 HydrophobicContact CE1-CG 4.18Å; Y613-P649 HydrophobicContact CE2-CG 3.61Å; P649-L762 HydrophobicContact CB-CB 4.02Å; P649-L762 HydrophobicContact CG-CB 4.2Å; P649-L762 HydrophobicContact CG-CD2 4.08Å
650	D	76.3	Confident	87.7	Confident	74 Å²	74	29.4 Å²	29.4	40%	0.396	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	2	176.4	58.2	-9.7	0	0	0	113.6	S648 R764 F778	S648-D650 WeakPolarHBondContact CB-OD1 3.18Å; S648-D650 PolarHBondContact O-N 2.7Å; S648-D650 VanDerWaalsContact O-N 3.13Å; S648-D650 PolarHBondContact OG-OD1 2.75Å; D650-R764 IonicContact OD2-NH1 2.72Å; D650-F778 HydrophobicContact CB-CD2 3.66Å; D650-F778 HydrophobicContact CB-CE2 4.27Å; D650-F778 HydrophobicContact CB-CG 4.43Å
651	S	84.2	Confident	87.9	Confident	37 Å²	37	26.9 Å²	26.9	26%	0.259	17%	0.169	S	C	.	.			trans	-117.7	137.2	-177.5	-163.4	0	0	0	0	113	S648 S653	S648-S651 PolarHBondContact O-N 3.1Å; S648-S651 WeakPolarHBondContact OG-CB 3.36Å; S651-S653 PolarHBondContact O-N 2.54Å; S651-S653 WeakPolarHBondContact OG-CB 3.22Å; S651-S653 PolarHBondContact OG-N 2.72Å; S651-S653 PolarHBondContact OG-OG 2.84Å
652	T	87.1	Confident	87.9	Confident	46 Å²	46	31 Å²	31	28%	0.282	19%	0.186	S	C	.	.	S	Bend	trans	-74.8	-3.4	166.6	61.3	0	0	0	0	113.1	A663 C665 F675	T652-A663 VanDerWaalsContact CB-O 3.31Å; T652-A663 WeakPolarHBondContact CB-O 3.39Å; T652-A663 CarbonylContact O-C 3.59Å; T652-A663 WeakPolarHBondContact O-CB 3.31Å; T652-A663 PolarHBondContact OG1-O 2.86Å; T652-C665 HydrophobicContact CG2-CB 4.12Å; T652-F675 HydrophobicContact CG2-CD2 3.94Å; T652-F675 HydrophobicContact CG2-CE2 3.71Å
653	S	91.4	Very high	87.8	Confident	21 Å²	21	29.2 Å²	29.2	15%	0.147	17%	0.171	C	C	.	.			trans	-79.9	141.2	-179.7	-50.6	0	0	0	0	110.9	P646 C647 S651 C660 V661	P646-S653 WeakPolarHBondContact CA-O 3.02Å; C647-S653 PolarHBondContact N-O 3.33Å; C647-S653 PolarHBondContact SG-O 3.47Å; S651-S653 PolarHBondContact O-N 2.54Å; S651-S653 WeakPolarHBondContact OG-CB 3.22Å; S651-S653 PolarHBondContact OG-N 2.72Å; S651-S653 PolarHBondContact OG-OG 2.84Å; S653-C660 WeakPolarHBondContact CB-SG 3.36Å; S653-V661 CarbonylContact C-O 3.38Å; S653-V661 VanDerWaalsContact CA-O 3.28Å; S653-V661 WeakPolarHBondContact CA-O 3.39Å; S653-V661 VanDerWaalsContact CB-O 3.32Å; S653-V661 WeakPolarHBondContact CB-O 3.4Å
654	V	93.1	Very high	87.7	Confident	10 Å²	10	28.7 Å²	28.7	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153	-176.6	-64.5	0	0	0	0	111.5	V656 V661 A663 I669	V654-V656 HydrophobicContact CG2-CG2 4.41Å; V654-V661 PolarHBondContact N-O 3.41Å; V654-V661 PolarHBondContact O-N 3.35Å; V654-A663 HydrophobicContact CG2-CB 4.13Å; V654-I669 HydrophobicContact CG2-CD1 3.98Å; V654-I669 HydrophobicContact CG2-CG1 3.73Å
655	C	92.5	Very high	87.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.5	175.8	-63.9	0	0	0	0	111.2	R585 C622 V641 D643 G644 T645 Q659	R585-C655 PolarHBondContact NH2-SG 3.28Å; C622-C655 WeakPolarHBondContact CA-SG 3.46Å; C622-C655 HydrophobicContact CB-CB 3.69Å; C622-C655 WeakPolarHBondContact CB-SG 3.46Å; C622-C655 WeakPolarHBondContact SG-CA 3.37Å; C622-C655 WeakPolarHBondContact SG-CB 3.44Å; C622-C655 CovalentContact SG-SG 2.03Å; C622-C655 PolarHBondContact SG-SG 3.41Å; V641-C655 HydrophobicContact CG2-CB 3.51Å; V641-C655 VanDerWaalsContact CG2-SG 3.53Å; D643-C655 WeakPolarHBondContact CA-O 3.03Å; G644-C655 PolarHBondContact N-O 3.09Å; T645-C655 WeakPolarHBondContact O-CB 3.46Å; T645-C655 PolarHBondContact O-N 3.18Å; T645-C655 PolarHBondContact O-SG 3.09Å; C655-Q659 CarbonylContact C-O 3.59Å; C655-Q659 WeakPolarHBondContact CA-O 3.28Å
656	V	89.6	Confident	87.4	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	113.1	177.6	-175.4	0	0	0	0	107.1	V542 Y544 Y568 D643 V654 G658 Q659 V661 I669	V542-V656 HydrophobicContact CG1-CG1 4.4Å; V542-V656 HydrophobicContact CG2-CG2 4.25Å; Y544-V656 HydrophobicContact CE1-CG1 3.97Å; Y544-V656 WeakPolarHBondContact OH-CG1 3.36Å; Y568-V656 HydrophobicContact CD1-CG1 4.09Å; Y568-V656 HydrophobicContact CD2-CG1 3.99Å; Y568-V656 HydrophobicContact CE1-CG1 4.18Å; Y568-V656 HydrophobicContact CE2-CG1 4.07Å; Y568-V656 HydrophobicContact CE2-CG2 4.4Å; Y568-V656 HydrophobicContact CG-CG1 4Å; D643-V656 WeakPolarHBondContact OD1-CA 3.48Å; V654-V656 HydrophobicContact CG2-CG2 4.41Å; V656-G658 VanDerWaalsContact C-N 3.29Å; V656-G658 PolarHBondContact O-N 3.14Å; V656-Q659 PolarHBondContact N-O 3.31Å; V656-Q659 PolarHBondContact O-N 3.03Å; V656-V661 HydrophobicContact CB-CB 4.5Å; V656-V661 HydrophobicContact CB-CG2 3.78Å; V656-V661 HydrophobicContact CG2-CB 3.9Å; V656-V661 HydrophobicContact CG2-CG2 3.74Å; V656-I669 HydrophobicContact CG2-CD1 3.89Å
657	Q	80.6	Confident	87.3	Confident	45 Å²	45	31.7 Å²	31.7	21%	0.21	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	51	-173.9	-61.1	-62.1	-10.9	0	0	112.8	F215 Y544 D643 Q659	F215-Q657 HydrophobicContact CE1-CB 4.26Å; F215-Q657 HydrophobicContact CE1-CG 3.92Å; F215-Q657 HydrophobicContact CE2-CB 4.47Å; F215-Q657 HydrophobicContact CZ-CB 3.58Å; F215-Q657 HydrophobicContact CZ-CG 3.65Å; Y544-Q657 HydrophobicContact CE1-CG 4.03Å; Y544-Q657 WeakPolarHBondContact OH-CG 3.5Å; Y544-Q657 PolarHBondContact OH-N 3.07Å; Y544-Q657 PolarHBondContact OH-NE2 3.16Å; D643-Q657 PolarHBondContact OD1-N 3.49Å; Q657-Q659 PolarHBondContact O-N 2.93Å; Q657-Q659 VanDerWaalsContact O-N 3.16Å
658	G	82.1	Confident	87.4	Confident	21 Å²	21	35.4 Å²	35.4	22%	0.216	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	5.1	179.5	0	0	0	0	0	115.8	C622 V656	C622-G658 VanDerWaalsContact CB-C 3.48Å; C622-G658 VanDerWaalsContact CB-O 3.28Å; C622-G658 WeakPolarHBondContact CB-O 3.33Å; V656-G658 VanDerWaalsContact C-N 3.29Å; V656-G658 PolarHBondContact O-N 3.14Å
659	Q	83.4	Confident	87.6	Confident	62 Å²	62	36.5 Å²	36.5	29%	0.29	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.1	170.9	-69.4	-148	-41.1	0	0	112.6	R214 C655 V656 Q657 V661	R214-Q659 VanDerWaalsContact CD-CD 3.48Å; R214-Q659 VanDerWaalsContact NE-NE2 3.12Å; C655-Q659 CarbonylContact C-O 3.59Å; C655-Q659 WeakPolarHBondContact CA-O 3.28Å; V656-Q659 PolarHBondContact N-O 3.31Å; V656-Q659 PolarHBondContact O-N 3.03Å; Q657-Q659 PolarHBondContact O-N 2.93Å; Q657-Q659 VanDerWaalsContact O-N 3.16Å; Q659-V661 PolarHBondContact O-N 2.97Å
660	C	89.1	Confident	88	Confident	56 Å²	56	36.5 Å²	36.5	38%	0.378	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.5	174.5	-174.8	0	0	0	0	111.3	C647 S653	C647-C660 HydrophobicContact CB-CB 3.97Å; C647-C660 WeakPolarHBondContact CB-SG 3.16Å; C647-C660 WeakPolarHBondContact SG-CA 3.1Å; C647-C660 WeakPolarHBondContact SG-CB 3.38Å; C647-C660 CovalentContact SG-SG 2.03Å; C647-C660 PolarHBondContact SG-SG 2.84Å; S653-C660 WeakPolarHBondContact CB-SG 3.36Å
661	V	90.2	Very high	88.7	Confident	26 Å²	26	34 Å²	34	16%	0.158	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.2	-177.9	-177.9	0	0	0	0	110.4	Y568 S653 V654 V656 Q659 A663 I669	Y568-V661 HydrophobicContact CE2-CG1 4.31Å; S653-V661 CarbonylContact C-O 3.38Å; S653-V661 VanDerWaalsContact CA-O 3.28Å; S653-V661 WeakPolarHBondContact CA-O 3.39Å; S653-V661 VanDerWaalsContact CB-O 3.32Å; S653-V661 WeakPolarHBondContact CB-O 3.4Å; V654-V661 PolarHBondContact N-O 3.41Å; V654-V661 PolarHBondContact O-N 3.35Å; V656-V661 HydrophobicContact CB-CB 4.5Å; V656-V661 HydrophobicContact CB-CG2 3.78Å; V656-V661 HydrophobicContact CG2-CB 3.9Å; V656-V661 HydrophobicContact CG2-CG2 3.74Å; Q659-V661 PolarHBondContact O-N 2.97Å; V661-A663 PolarHBondContact O-N 3.05Å; V661-I669 HydrophobicContact CG1-CG2 4.11Å
662	K	91.1	Very high	89	Confident	90 Å²	90	38.1 Å²	38.1	39%	0.391	22%	0.217	S	C	.	.			trans	-64	121.2	177.6	-177.4	-160.5	166.9	-155.9	0	111	G670 S671 N672	K662-G670 PolarHBondContact O-N 3.13Å; K662-S671 WeakPolarHBondContact CE-O 3.42Å; K662-N672 PolarHBondContact NZ-OD1 3.2Å
663	A	92	Very high	89.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-120	164.8	162.6	0	0	0	0	0	110.3	T652 V654 V661 I668 I669	T652-A663 VanDerWaalsContact CB-O 3.31Å; T652-A663 WeakPolarHBondContact CB-O 3.39Å; T652-A663 CarbonylContact O-C 3.59Å; T652-A663 WeakPolarHBondContact O-CB 3.31Å; T652-A663 PolarHBondContact OG1-O 2.86Å; V654-A663 HydrophobicContact CG2-CB 4.13Å; V661-A663 PolarHBondContact O-N 3.05Å; A663-I668 VanDerWaalsContact CA-O 3.27Å; A663-I668 WeakPolarHBondContact CA-O 3.3Å; A663-I668 WeakPolarHBondContact CB-O 3.36Å; A663-I669 HydrophobicContact CB-CG1 4.22Å
664	G	89.9	Confident	89	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.021	26%	0.258	C	S	.	.			trans	-81.6	176	174.7	0	0	0	0	0	112.8	D666 R667 I668 R673	G664-D666 VanDerWaalsContact C-OD1 3.28Å; G664-D666 VanDerWaalsContact CA-OD1 3.23Å; G664-D666 WeakPolarHBondContact CA-OD1 3.34Å; G664-D666 PolarHBondContact O-N 3.05Å; G664-R667 WeakPolarHBondContact O-CA 3.46Å; G664-R667 PolarHBondContact O-N 2.83Å; G664-I668 PolarHBondContact N-O 3.07Å; G664-R673 CarbonylContact C-O 3.43Å; G664-R673 WeakPolarHBondContact CA-O 3.37Å
665	C	89.4	Confident	88.7	Confident	12 Å²	12	56.1 Å²	56.1	8%	0.081	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.8	172.3	58.5	0	0	0	0	113.7	T652 R667 R673 R674 F675 C681	T652-C665 HydrophobicContact CG2-CB 4.12Å; C665-R667 PolarHBondContact O-N 3.21Å; C665-R673 PolarHBondContact N-O 3.36Å; C665-R674 PolarHBondContact SG-N 2.98Å; C665-R674 VanDerWaalsContact SG-N 3.44Å; C665-R674 PolarHBondContact SG-O 2.81Å; C665-F675 HydrophobicContact CB-CD1 3.77Å; C665-F675 HydrophobicContact CB-CD2 3.73Å; C665-F675 HydrophobicContact CB-CE1 3.7Å; C665-F675 HydrophobicContact CB-CE2 3.64Å; C665-F675 HydrophobicContact CB-CG 3.79Å; C665-F675 HydrophobicContact CB-CZ 3.63Å; C665-C681 HydrophobicContact CB-CB 3.66Å; C665-C681 WeakPolarHBondContact CB-SG 3.4Å; C665-C681 WeakPolarHBondContact SG-CA 3.47Å; C665-C681 WeakPolarHBondContact SG-CB 3.12Å; C665-C681 CovalentContact SG-SG 2.03Å; C665-C681 PolarHBondContact SG-SG 3.39Å
666	D	90	Very high	88.6	Confident	28 Å²	28	56.9 Å²	56.9	15%	0.15	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.2	171	51.6	16.2	0	0	0	112.9	G664 I668 S671 R673 C681	G664-D666 VanDerWaalsContact C-OD1 3.28Å; G664-D666 VanDerWaalsContact CA-OD1 3.23Å; G664-D666 WeakPolarHBondContact CA-OD1 3.34Å; G664-D666 PolarHBondContact O-N 3.05Å; D666-I668 HydrophobicContact CB-CD1 4.22Å; D666-I668 HydrophobicContact CB-CG1 4.23Å; D666-I668 PolarHBondContact O-N 3.45Å; D666-I668 WeakPolarHBondContact OD1-CB 3.32Å; D666-I668 PolarHBondContact OD1-N 2.88Å; D666-S671 VanDerWaalsContact OD1-CB 3.28Å; D666-S671 WeakPolarHBondContact OD1-CB 3.44Å; D666-S671 PolarHBondContact OD1-OG 2.84Å; D666-S671 WeakPolarHBondContact OD2-CB 3.21Å; D666-S671 PolarHBondContact OD2-OG 3.09Å; D666-R673 VanDerWaalsContact OD2-CD 3.29Å; D666-R673 WeakPolarHBondContact OD2-CD 3.39Å; D666-R673 WeakPolarHBondContact OD2-CG 3.19Å; D666-C681 PolarHBondContact N-SG 2.85Å
667	R	88.9	Confident	88.5	Confident	78 Å²	78	61.5 Å²	61.5	29%	0.294	30%	0.303	S	S	.	.			trans	61.5	15.7	-173.9	-56.5	152.2	174	169.3	-4.2	113.7	G539 S570 T573 E574 G664 C665	G539-R667 WeakPolarHBondContact O-CD 3.42Å; S570-R667 WeakPolarHBondContact CB-O 3.28Å; S570-R667 PolarHBondContact OG-O 2.82Å; T573-R667 HydrophobicContact CG2-CB 4.35Å; T573-R667 VanDerWaalsContact O-CD 3.24Å; T573-R667 WeakPolarHBondContact O-CD 3.36Å; T573-R667 PolarHBondContact O-NH1 3.03Å; E574-R667 PolarHBondContact O-NH1 3.48Å; G664-R667 WeakPolarHBondContact O-CA 3.46Å; G664-R667 PolarHBondContact O-N 2.83Å; C665-R667 PolarHBondContact O-N 3.21Å
668	I	91.1	Very high	89	Confident	79 Å²	79	60 Å²	60	41%	0.405	30%	0.297	S	S	.	.			trans	-87.8	118.3	177.4	-61.6	174	0	0	0	109	S570 T573 A663 G664 D666 G670 S671	S570-I668 WeakPolarHBondContact OG-CA 3.29Å; T573-I668 HydrophobicContact CG2-CG1 4.33Å; A663-I668 VanDerWaalsContact CA-O 3.27Å; A663-I668 WeakPolarHBondContact CA-O 3.3Å; A663-I668 WeakPolarHBondContact CB-O 3.36Å; G664-I668 PolarHBondContact N-O 3.07Å; D666-I668 HydrophobicContact CB-CD1 4.22Å; D666-I668 HydrophobicContact CB-CG1 4.23Å; D666-I668 PolarHBondContact O-N 3.45Å; D666-I668 WeakPolarHBondContact OD1-CB 3.32Å; D666-I668 PolarHBondContact OD1-N 2.88Å; I668-G670 PolarHBondContact O-N 3.38Å; I668-S671 WeakPolarHBondContact O-CB 3.4Å; I668-S671 PolarHBondContact O-N 2.95Å
669	I	89.9	Confident	89.2	Confident	30 Å²	30	59.8 Å²	59.8	15%	0.154	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-55.6	132.4	174.8	-76.1	168.1	0	0	0	109.8	V542 Y568 S570 V654 V656 V661 A663 S671	V542-I669 HydrophobicContact CG2-CD1 3.99Å; Y568-I669 HydrophobicContact CD2-CD1 4.1Å; Y568-I669 HydrophobicContact CD2-CG2 4.17Å; Y568-I669 HydrophobicContact CE2-CD1 4.43Å; Y568-I669 HydrophobicContact CE2-CG2 3.85Å; S570-I669 WeakPolarHBondContact OG-CG1 3.39Å; S570-I669 PolarHBondContact OG-N 3.24Å; V654-I669 HydrophobicContact CG2-CD1 3.98Å; V654-I669 HydrophobicContact CG2-CG1 3.73Å; V656-I669 HydrophobicContact CG2-CD1 3.89Å; V661-I669 HydrophobicContact CG1-CG2 4.11Å; A663-I669 HydrophobicContact CB-CG1 4.22Å; I669-S671 PolarHBondContact O-N 3.28Å
670	G	86.6	Confident	89.5	Confident	48 Å²	48	60.1 Å²	60.1	50%	0.495	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-14.5	-175.3	0	0	0	0	0	115.3	K662 I668	K662-G670 PolarHBondContact O-N 3.13Å; I668-G670 PolarHBondContact O-N 3.38Å
671	S	90.7	Very high	89.5	Confident	22 Å²	22	59.5 Å²	59.5	15%	0.154	30%	0.297	C	S	.	.			trans	-58.9	148.8	179.7	-179.5	0	0	0	0	112.6	K662 D666 I668 I669 R673	K662-S671 WeakPolarHBondContact CE-O 3.42Å; D666-S671 VanDerWaalsContact OD1-CB 3.28Å; D666-S671 WeakPolarHBondContact OD1-CB 3.44Å; D666-S671 PolarHBondContact OD1-OG 2.84Å; D666-S671 WeakPolarHBondContact OD2-CB 3.21Å; D666-S671 PolarHBondContact OD2-OG 3.09Å; I668-S671 WeakPolarHBondContact O-CB 3.4Å; I668-S671 PolarHBondContact O-N 2.95Å; I669-S671 PolarHBondContact O-N 3.28Å; S671-R673 PolarHBondContact OG-N 3.38Å; S671-R673 VanDerWaalsContact OG-N 3.17Å
672	N	89.7	Confident	89.5	Confident	124 Å²	124	60.9 Å²	60.9	66%	0.663	32%	0.317	S	S	*	.			trans	-100.8	-2.1	176.1	-74.1	-52.5	0	0	0	113.1	K662	K662-N672 PolarHBondContact NZ-OD1 3.2Å
673	R	90.5	Very high	89.3	Confident	155 Å²	155	58 Å²	58	59%	0.585	31%	0.313	S	S	*	.			trans	-64.2	137.5	176	-65.2	-164.9	178.8	-169.6	-0.3	110.8	G664 C665 D666 S671	G664-R673 CarbonylContact C-O 3.43Å; G664-R673 WeakPolarHBondContact CA-O 3.37Å; C665-R673 PolarHBondContact N-O 3.36Å; D666-R673 VanDerWaalsContact OD2-CD 3.29Å; D666-R673 WeakPolarHBondContact OD2-CD 3.39Å; D666-R673 WeakPolarHBondContact OD2-CG 3.19Å; S671-R673 PolarHBondContact OG-N 3.38Å; S671-R673 VanDerWaalsContact OG-N 3.17Å
674	R	88.3	Confident	89.2	Confident	189 Å²	189	63.9 Å²	63.9	71%	0.713	34%	0.344	S	S	*	.			trans	-126.1	155.5	178.9	-60.6	-179.9	-173.5	-120.9	8	110	C665 G682	C665-R674 PolarHBondContact SG-N 2.98Å; C665-R674 VanDerWaalsContact SG-N 3.44Å; C665-R674 PolarHBondContact SG-O 2.81Å; R674-G682 PolarHBondContact O-N 2.79Å
675	F	87.4	Confident	89.1	Confident	110 Å²	110	64 Å²	64	48%	0.482	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-64.4	140.8	163.7	-65.1	-67.7	0	0	0	109.6	T652 C665 G679 V680 C681	T652-F675 HydrophobicContact CG2-CD2 3.94Å; T652-F675 HydrophobicContact CG2-CE2 3.71Å; C665-F675 HydrophobicContact CB-CD1 3.77Å; C665-F675 HydrophobicContact CB-CD2 3.73Å; C665-F675 HydrophobicContact CB-CE1 3.7Å; C665-F675 HydrophobicContact CB-CE2 3.64Å; C665-F675 HydrophobicContact CB-CG 3.79Å; C665-F675 HydrophobicContact CB-CZ 3.63Å; F675-G679 WeakPolarHBondContact CD1-O 3.24Å; F675-V680 WeakPolarHBondContact CA-O 3.47Å; F675-C681 HydrophobicContact CD1-CB 4.03Å; F675-C681 HydrophobicContact CE1-CB 3.96Å
676	D	89.9	Confident	89.1	Confident	17 Å²	17	66.4 Å²	66.4	9%	0.091	36%	0.362	C	S	.	.			trans	-77.2	-178.9	169.7	75.6	-0.2	0	0	0	111.4	C678 G679 V680 G683 G685 H714	D676-C678 PolarHBondContact O-N 3.4Å; D676-C678 VanDerWaalsContact OD1-C 3.31Å; D676-C678 VanDerWaalsContact OD1-CA 3.25Å; D676-C678 WeakPolarHBondContact OD1-CA 3.3Å; D676-C678 VanDerWaalsContact OD1-CB 3.27Å; D676-C678 WeakPolarHBondContact OD1-CB 3.17Å; D676-C678 PolarHBondContact OD1-N 3.04Å; D676-G679 PolarHBondContact O-N 3.3Å; D676-G679 VanDerWaalsContact O-N 3.11Å; D676-G679 PolarHBondContact OD1-N 2.05Å; D676-V680 PolarHBondContact N-O 3.28Å; D676-V680 PolarHBondContact OD1-N 3.17Å; D676-G683 WeakPolarHBondContact CB-O 3.44Å; D676-G683 WeakPolarHBondContact OD2-CA 3.21Å; D676-G685 WeakPolarHBondContact OD2-CA 3.31Å; D676-G685 PolarHBondContact OD2-N 2.62Å; D676-H714 PolarHBondContact O-CE1 3.22Å
677	K	88.7	Confident	89.1	Confident	97 Å²	97	67.6 Å²	67.6	42%	0.422	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.7	177	71.7	-166.7	-173.5	-111.5	0	114.4	G685 T713 H714 F805	K677-G685 WeakPolarHBondContact CE-O 3.27Å; K677-G685 PolarHBondContact NZ-O 3.06Å; K677-T713 PolarHBondContact O-OG1 3.38Å; K677-H714 PolarHBondContact O-ND1 3.16Å; K677-F805 HydrophobicContact CB-CD1 4.39Å; K677-F805 HydrophobicContact CB-CE1 4.04Å; K677-F805 HydrophobicContact CB-CE2 4.17Å; K677-F805 HydrophobicContact CB-CZ 3.92Å; K677-F805 HydrophobicContact CD-CD1 4.39Å; K677-F805 HydrophobicContact CD-CE1 3.78Å; K677-F805 HydrophobicContact CD-CZ 4.26Å; K677-F805 HydrophobicContact CG-CD1 4.14Å; K677-F805 HydrophobicContact CG-CE1 3.91Å; K677-F805 HydrophobicContact CG-CZ 4.31Å; K677-F805 WeakPolarHBondContact O-CB 3.22Å; K677-F805 VanDerWaalsContact O-CD2 3.28Å; K677-F805 WeakPolarHBondContact O-CD2 3.25Å; K677-F805 VanDerWaalsContact O-CG 3.28Å; K677-F805 WeakPolarHBondContact O-CG 3.46Å
678	C	89.5	Confident	89.3	Confident	13 Å²	13	64.1 Å²	64.1	9%	0.088	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-6.1	179.9	-52.8	0	0	0	0	113.2	D676 V680 G685 S687 C688 T713	D676-C678 PolarHBondContact O-N 3.4Å; D676-C678 VanDerWaalsContact OD1-C 3.31Å; D676-C678 VanDerWaalsContact OD1-CA 3.25Å; D676-C678 WeakPolarHBondContact OD1-CA 3.3Å; D676-C678 VanDerWaalsContact OD1-CB 3.27Å; D676-C678 WeakPolarHBondContact OD1-CB 3.17Å; D676-C678 PolarHBondContact OD1-N 3.04Å; C678-V680 HydrophobicContact CB-CG2 4.43Å; C678-G685 VanDerWaalsContact SG-C 3.58Å; C678-G685 WeakPolarHBondContact SG-CA 3.27Å; C678-S687 VanDerWaalsContact CB-OG 3.28Å; C678-S687 WeakPolarHBondContact CB-OG 3.49Å; C678-S687 PolarHBondContact SG-OG 3.46Å; C678-C688 WeakPolarHBondContact CA-SG 3.5Å; C678-C688 HydrophobicContact CB-CB 3.58Å; C678-C688 WeakPolarHBondContact CB-SG 3.39Å; C678-C688 WeakPolarHBondContact SG-CB 3.35Å; C678-C688 PolarHBondContact SG-N 2.94Å; C678-C688 CovalentContact SG-SG 2.02Å; C678-C688 PolarHBondContact SG-SG 2.64Å; C678-T713 WeakPolarHBondContact O-CG2 3.38Å; C678-T713 PolarHBondContact O-OG1 2.99Å
679	G	86.7	Confident	89.4	Confident	17 Å²	17	65.7 Å²	65.7	18%	0.175	36%	0.364	C	S	.	.	S	Bend	trans	88	9.3	-174.9	0	0	0	0	0	114.9	F675 D676	F675-G679 WeakPolarHBondContact CD1-O 3.24Å; D676-G679 PolarHBondContact O-N 3.3Å; D676-G679 VanDerWaalsContact O-N 3.11Å; D676-G679 PolarHBondContact OD1-N 2.05Å
680	V	89.3	Confident	89.6	Confident	69 Å²	69	70.9 Å²	70.9	42%	0.418	39%	0.386	S	S	.	.			trans	-89	127.2	178.1	-176.4	0	0	0	0	109.6	F675 D676 C678 G682 G683	F675-V680 WeakPolarHBondContact CA-O 3.47Å; D676-V680 PolarHBondContact N-O 3.28Å; D676-V680 PolarHBondContact OD1-N 3.17Å; C678-V680 HydrophobicContact CB-CG2 4.43Å; V680-G682 PolarHBondContact O-N 3.4Å; V680-G683 PolarHBondContact O-N 3.34Å
681	C	90.2	Very high	89.9	Confident	43 Å²	43	70.4 Å²	70.4	29%	0.291	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-69.7	113.4	180	179.4	0	0	0	0	111.1	C665 D666 F675 G683	C665-C681 HydrophobicContact CB-CB 3.66Å; C665-C681 WeakPolarHBondContact CB-SG 3.4Å; C665-C681 WeakPolarHBondContact SG-CA 3.47Å; C665-C681 WeakPolarHBondContact SG-CB 3.12Å; C665-C681 CovalentContact SG-SG 2.03Å; C665-C681 PolarHBondContact SG-SG 3.39Å; D666-C681 PolarHBondContact N-SG 2.85Å; F675-C681 HydrophobicContact CD1-CB 4.03Å; F675-C681 HydrophobicContact CE1-CB 3.96Å; C681-G683 VanDerWaalsContact C-N 3.29Å
682	G	89.2	Confident	90.2	Very high	56 Å²	56	73.1 Å²	73.1	58%	0.577	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	17.9	-174.5	0	0	0	0	0	114.6	R674 V680	R674-G682 PolarHBondContact O-N 2.79Å; V680-G682 PolarHBondContact O-N 3.4Å
683	G	87.7	Confident	90.4	Very high	30 Å²	30	68.5 Å²	68.5	31%	0.309	37%	0.373	S	S	.	.			trans	-72.7	166.7	176.4	0	0	0	0	0	114.2	D676 V680 C681	D676-G683 WeakPolarHBondContact CB-O 3.44Å; D676-G683 WeakPolarHBondContact OD2-CA 3.21Å; V680-G683 PolarHBondContact O-N 3.34Å; C681-G683 VanDerWaalsContact C-N 3.29Å
684	D	89.3	Confident	90.5	Very high	123 Å²	123	64 Å²	64	66%	0.658	37%	0.366	S	S	*	.			trans	-92	-7.4	176	69	-20.8	0	0	0	113	S686	D684-S686 VanDerWaalsContact CG-OG 3.29Å; D684-S686 VanDerWaalsContact OD1-CB 3.27Å; D684-S686 WeakPolarHBondContact OD1-CB 3.45Å; D684-S686 PolarHBondContact OD1-N 2.76Å; D684-S686 PolarHBondContact OD1-OG 3.41Å; D684-S686 VanDerWaalsContact OD2-CB 3.22Å; D684-S686 WeakPolarHBondContact OD2-CB 3.25Å; D684-S686 PolarHBondContact OD2-OG 2.99Å; D684-S686 VanDerWaalsContact OD2-OG 3.14Å
685	G	87.9	Confident	90.5	Very high	4 Å²	4	56.7 Å²	56.7	4%	0.041	34%	0.341	C	S	.	.	S	Bend	trans	71.7	25.6	-171.9	0	0	0	0	0	114.9	D676 K677 C678	D676-G685 WeakPolarHBondContact OD2-CA 3.31Å; D676-G685 PolarHBondContact OD2-N 2.62Å; K677-G685 WeakPolarHBondContact CE-O 3.27Å; K677-G685 PolarHBondContact NZ-O 3.06Å; C678-G685 VanDerWaalsContact SG-C 3.58Å; C678-G685 WeakPolarHBondContact SG-CA 3.27Å
686	S	88.9	Confident	90.4	Very high	62 Å²	62	55.3 Å²	55.3	43%	0.434	34%	0.338	S	S	.	.			trans	-76.3	-33.7	173.1	58.6	0	0	0	0	113	D684 C688 R808	D684-S686 VanDerWaalsContact CG-OG 3.29Å; D684-S686 VanDerWaalsContact OD1-CB 3.27Å; D684-S686 WeakPolarHBondContact OD1-CB 3.45Å; D684-S686 PolarHBondContact OD1-N 2.76Å; D684-S686 PolarHBondContact OD1-OG 3.41Å; D684-S686 VanDerWaalsContact OD2-CB 3.22Å; D684-S686 WeakPolarHBondContact OD2-CB 3.25Å; D684-S686 PolarHBondContact OD2-OG 2.99Å; D684-S686 VanDerWaalsContact OD2-OG 3.14Å; S686-C688 PolarHBondContact O-N 3.24Å; S686-C688 VanDerWaalsContact O-N 3.11Å; S686-R808 WeakPolarHBondContact O-CD 3.28Å; S686-R808 PolarHBondContact O-NE 3Å
687	S	91.3	Very high	90.1	Very high	53 Å²	53	63.9 Å²	63.9	37%	0.371	37%	0.369	S	S	.	.	S	Bend	trans	-66.9	-11.3	-169.8	59.8	0	0	0	0	115.6	C678 R808	C678-S687 VanDerWaalsContact CB-OG 3.28Å; C678-S687 WeakPolarHBondContact CB-OG 3.49Å; C678-S687 PolarHBondContact SG-OG 3.46Å; S687-R808 WeakPolarHBondContact O-CB 3.45Å; S687-R808 PolarHBondContact O-N 3.16Å
688	C	92.7	Very high	89.8	Confident	6 Å²	6	60 Å²	60	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	171.9	-179.3	69.4	0	0	0	0	113	C678 S686 F805 A806 R808	C678-C688 WeakPolarHBondContact CA-SG 3.5Å; C678-C688 HydrophobicContact CB-CB 3.58Å; C678-C688 WeakPolarHBondContact CB-SG 3.39Å; C678-C688 WeakPolarHBondContact SG-CB 3.35Å; C678-C688 PolarHBondContact SG-N 2.94Å; C678-C688 CovalentContact SG-SG 2.02Å; C678-C688 PolarHBondContact SG-SG 2.64Å; S686-C688 PolarHBondContact O-N 3.24Å; S686-C688 VanDerWaalsContact O-N 3.11Å; C688-F805 HydrophobicContact CB-CB 4.16Å; C688-A806 CarbonylContact C-O 3.55Å; C688-A806 WeakPolarHBondContact CA-O 3.26Å; C688-A806 VanDerWaalsContact CB-O 3.23Å; C688-A806 WeakPolarHBondContact CB-O 3.3Å; C688-R808 PolarHBondContact O-NE 2.89Å
689	K	93.1	Very high	89.5	Confident	112 Å²	112	68.9 Å²	68.9	49%	0.487	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.6	169.5	63.7	-177.9	-179.1	179.7	0	109.9	V691 F805 A806	K689-V691 HydrophobicContact CG-CG2 4.37Å; K689-F805 CarbonylContact O-C 3.5Å; K689-F805 WeakPolarHBondContact O-CA 3.46Å; K689-A806 HydrophobicContact CG-CB 4.42Å; K689-A806 PolarHBondContact N-O 3.44Å; K689-A806 PolarHBondContact O-N 3.44Å
690	K	93.6	Very high	89.4	Confident	139 Å²	139	72.3 Å²	72.3	60%	0.604	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.7	171.8	-171.9	175.7	174.6	-177.8	0	109.2	F805	K690-F805 HydrophobicContact CB-CD1 3.89Å; K690-F805 HydrophobicContact CB-CE1 3.67Å; K690-F805 HydrophobicContact CB-CZ 4.35Å; K690-F805 HydrophobicContact CD-CE1 4.39Å; K690-F805 HydrophobicContact CD-CZ 4.3Å; K690-F805 HydrophobicContact CG-CD1 4.47Å; K690-F805 HydrophobicContact CG-CE1 4.1Å; K690-F805 HydrophobicContact CG-CZ 4.29Å
691	V	94.3	Very high	89.4	Confident	38 Å²	38	69.9 Å²	69.9	23%	0.23	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138	171.8	-175.8	0	0	0	0	107.6	K689 S803 Y804 A806	K689-V691 HydrophobicContact CG-CG2 4.37Å; V691-S803 CarbonylContact O-C 3.53Å; V691-S803 VanDerWaalsContact O-CA 3.26Å; V691-S803 WeakPolarHBondContact O-CA 3.13Å; V691-Y804 HydrophobicContact CB-CD1 4.46Å; V691-Y804 HydrophobicContact CB-CD2 4.23Å; V691-Y804 HydrophobicContact CB-CE1 4.08Å; V691-Y804 HydrophobicContact CB-CE2 3.86Å; V691-Y804 HydrophobicContact CG1-CE1 3.95Å; V691-Y804 HydrophobicContact CG1-CE2 4.23Å; V691-Y804 HydrophobicContact CG2-CE2 4.1Å; V691-Y804 PolarHBondContact N-O 3.23Å; V691-Y804 PolarHBondContact O-N 2.94Å; V691-Y804 VanDerWaalsContact O-O 3.08Å; V691-A806 HydrophobicContact CG2-CB 3.9Å
692	S	95.8	Very high	89.4	Confident	78 Å²	78	70.2 Å²	70.2	55%	0.545	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	149.3	177.4	52.6	0	0	0	0	111.5	Y802	S692-Y802 WeakPolarHBondContact CA-O 3.13Å; S692-Y802 VanDerWaalsContact CB-O 3.29Å; S692-Y802 WeakPolarHBondContact CB-O 3.26Å
693	G	93.1	Very high	89.6	Confident	27 Å²	27	70 Å²	70	28%	0.278	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-178.7	177.3	0	0	0	0	0	112.4	K801 Y802	G693-K801 WeakPolarHBondContact O-CA 3.29Å; G693-Y802 PolarHBondContact N-O 3.12Å; G693-Y802 VanDerWaalsContact N-O 3.11Å; G693-Y802 PolarHBondContact O-N 3.22Å
694	S	93.4	Very high	89.8	Confident	61 Å²	61	72.3 Å²	72.3	43%	0.427	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	157.5	171.4	66.1	0	0	0	0	112	D696 V800	S694-D696 WeakPolarHBondContact CB-OD2 3.25Å; S694-D696 PolarHBondContact OG-OD2 3.45Å; S694-V800 CarbonylContact C-O 3.56Å; S694-V800 WeakPolarHBondContact CA-O 3.43Å; S694-V800 VanDerWaalsContact CB-O 3.3Å; S694-V800 WeakPolarHBondContact CB-O 3.29Å
695	L	89.4	Confident	90	Very high	35 Å²	35	67.5 Å²	67.5	18%	0.183	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.3	167.3	-177.5	70	0	0	0	107.6	R697 V705 V789 V800	L695-R697 VanDerWaalsContact CD1-O 3.3Å; L695-R697 WeakPolarHBondContact CD1-O 3.37Å; L695-R697 WeakPolarHBondContact CG-O 3.19Å; L695-V705 HydrophobicContact CB-CG1 4.27Å; L695-V705 HydrophobicContact CD2-CG2 3.93Å; L695-V789 HydrophobicContact CD2-CG1 3.89Å; L695-V800 HydrophobicContact CB-CB 4.41Å; L695-V800 PolarHBondContact N-O 2.87Å; L695-V800 PolarHBondContact O-N 3.46Å; L695-V800 VanDerWaalsContact O-N 3.16Å
696	D	84.6	Confident	90.3	Very high	81 Å²	81	68.2 Å²	68.2	43%	0.433	36%	0.357	S	S	.	.			trans	-113.8	3.7	-171.7	-64.7	-86.1	0	0	0	113.1	S694 P798	S694-D696 WeakPolarHBondContact CB-OD2 3.25Å; S694-D696 PolarHBondContact OG-OD2 3.45Å; D696-P798 CarbonylContact C-O 3.56Å; D696-P798 VanDerWaalsContact CA-O 3.27Å; D696-P798 WeakPolarHBondContact CA-O 3.43Å
697	R	82.5	Confident	90.6	Very high	198 Å²	198	68.6 Å²	68.6	75%	0.747	36%	0.357	S	S	*	.			trans	-150.3	139.5	175.8	-62.9	-174.2	-175.5	-170.2	1.9	109.6	L695	L695-R697 VanDerWaalsContact CD1-O 3.3Å; L695-R697 WeakPolarHBondContact CD1-O 3.37Å; L695-R697 WeakPolarHBondContact CG-O 3.19Å
698	S	82.6	Confident	90.8	Very high	14 Å²	14	66.1 Å²	66.1	10%	0.098	34%	0.34	C	S	.	.			trans	-137.7	156.1	174.4	-174.4	0	0	0	0	112.5	Q703 S791 P796	S698-Q703 PolarHBondContact OG-OE1 2.86Å; S698-Q703 VanDerWaalsContact OG-OE1 3.1Å; S698-S791 VanDerWaalsContact CB-OG 3.22Å; S698-S791 WeakPolarHBondContact CB-OG 3.33Å; S698-S791 PolarHBondContact OG-OG 2.64Å; S698-P796 PolarHBondContact N-O 3Å
699	R	83.9	Confident	90.9	Very high	200 Å²	200	68.3 Å²	68.3	76%	0.755	35%	0.354	S	S	*	.			trans	-80.2	155	165.6	-62.3	-176.9	179.9	-170	-0.1	109.7	S791	R699-S791 WeakPolarHBondContact O-CB 3.22Å
700	P	85.4	Confident	90.8	Very high	90 Å²	90	65 Å²	65	58%	0.584	35%	0.348	S	S	*	.	S	Bend	trans	-60.6	147.8	170.8	-19.6	32.3	0	0	0	111.7	S791 G793	P700-S791 CarbonylContact C-O 3.53Å; P700-S791 WeakPolarHBondContact CA-O 3.13Å; P700-G793 WeakPolarHBondContact CG-O 3.04Å
701	G	88.1	Confident	90.6	Very high	18 Å²	18	59.8 Å²	59.8	19%	0.186	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91.2	-160.3	-172.3	0	0	0	0	0	113	L790 S791	G701-L790 WeakPolarHBondContact O-CA 3.5Å; G701-S791 PolarHBondContact N-O 3.28Å; G701-S791 PolarHBondContact O-N 3.23Å
702	Y	91.4	Very high	90.6	Very high	49 Å²	49	58.1 Å²	58.1	19%	0.192	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.9	177	-72	-90.9	0	0	0	111.2	A733 Y741 N744 G745 D746 Y747 Q788 V789 L790	Y702-A733 HydrophobicContact CD1-CB 4.11Å; Y702-A733 HydrophobicContact CE1-CB 3.74Å; Y702-Y741 HydrophobicContact CD1-CE1 4.02Å; Y702-Y741 AromaticContact CE1-CE1 3.76Å; Y702-Y741 HydrophobicContact CE1-CE1 3.76Å; Y702-N744 VanDerWaalsContact CE1-O 3.25Å; Y702-N744 WeakPolarHBondContact CE1-O 3.37Å; Y702-N744 PolarHBondContact OH-O 2.92Å; Y702-G745 VanDerWaalsContact OH-C 3.26Å; Y702-G745 WeakPolarHBondContact OH-CA 3.5Å; Y702-D746 PolarHBondContact OH-N 3.13Å; Y702-Y747 HydrophobicContact CD2-CE1 4.12Å; Y702-Y747 AromaticContact CE2-CD1 3.93Å; Y702-Y747 HydrophobicContact CE2-CD1 3.93Å; Y702-Y747 HydrophobicContact CE2-CD2 4.42Å; Y702-Y747 AromaticContact CE2-CE1 3.79Å; Y702-Y747 HydrophobicContact CE2-CE1 3.79Å; Y702-Y747 HydrophobicContact CE2-CE2 4.29Å; Y702-Y747 HydrophobicContact CE2-CG 4.25Å; Y702-Y747 AromaticContact CE2-CZ 3.97Å; Y702-Y747 WeakPolarHBondContact OH-CA 3.43Å; Y702-Y747 PolarHBondContact OH-N 2.7Å; Y702-Q788 HydrophobicContact CD1-CB 4.47Å; Y702-V789 WeakPolarHBondContact CA-O 3.15Å; Y702-L790 HydrophobicContact CD1-CB 4.09Å; Y702-L790 HydrophobicContact CD2-CD1 4Å; Y702-L790 HydrophobicContact CE1-CB 3.9Å; Y702-L790 HydrophobicContact CE1-CD1 4.43Å; Y702-L790 HydrophobicContact CE1-CD2 4.36Å; Y702-L790 HydrophobicContact CE1-CG 4.45Å; Y702-L790 HydrophobicContact CE2-CD1 3.87Å; Y702-L790 HydrophobicContact CE2-CD2 4.42Å; Y702-L790 HydrophobicContact CG-CD1 4.34Å
703	Q	91.9	Very high	90.4	Very high	52 Å²	52	54.4 Å²	54.4	24%	0.243	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.1	174.6	-177.1	176.6	-40.2	0	0	111.1	S698 V705 Q788 V789	S698-Q703 PolarHBondContact OG-OE1 2.86Å; S698-Q703 VanDerWaalsContact OG-OE1 3.1Å; Q703-V705 PolarHBondContact O-N 2.77Å; Q703-Q788 CarbonylContact O-C 3.57Å; Q703-Q788 WeakPolarHBondContact O-CA 3.25Å; Q703-V789 HydrophobicContact CB-CG1 4.29Å; Q703-V789 PolarHBondContact N-O 3.29Å; Q703-V789 PolarHBondContact O-N 2.86Å
704	D	92.8	Very high	90.3	Very high	78 Å²	78	56.2 Å²	56.2	42%	0.417	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	128.6	173.8	-70.4	9.1	0	0	0	110.6	R735 T786 Q788	D704-R735 IonicContact OD1-NH2 2.89Å; D704-R735 PolarHBondContact OD1-NH2 3.07Å; D704-R735 IonicContact OD2-NH2 2.62Å; D704-R735 PolarHBondContact OD2-NH2 2.8Å; D704-R735 VanDerWaalsContact OD2-NH2 3.17Å; D704-T786 HydrophobicContact CB-CG2 4.11Å; D704-Q788 VanDerWaalsContact OD1-CG 3.25Å; D704-Q788 WeakPolarHBondContact OD1-CG 3.5Å; D704-Q788 PolarHBondContact OD1-NE2 3.4Å
705	V	93.3	Very high	90.4	Very high	22 Å²	22	53.6 Å²	53.6	13%	0.133	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-51	178.3	-177.9	0	0	0	0	110.3	L695 Q703 I787 V789 V800 Y802	L695-V705 HydrophobicContact CB-CG1 4.27Å; L695-V705 HydrophobicContact CD2-CG2 3.93Å; Q703-V705 PolarHBondContact O-N 2.77Å; V705-I787 HydrophobicContact CB-CB 4.42Å; V705-I787 HydrophobicContact CB-CG2 4.21Å; V705-I787 WeakPolarHBondContact CB-O 3.34Å; V705-I787 HydrophobicContact CG2-CG2 4.41Å; V705-I787 PolarHBondContact N-O 3.05Å; V705-V789 HydrophobicContact CG2-CB 4.14Å; V705-V789 HydrophobicContact CG2-CG1 4.12Å; V705-V800 HydrophobicContact CG1-CG1 3.9Å; V705-Y802 HydrophobicContact CG1-CD1 3.86Å; V705-Y802 HydrophobicContact CG1-CE1 3.98Å
706	V	94.6	Very high	90.6	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.115	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	138.1	178.7	60.1	0	0	0	0	110.6	I708 I787 Y802 Y804	V706-I708 HydrophobicContact CG1-CG1 4.26Å; V706-I787 HydrophobicContact CG1-CB 4.09Å; V706-I787 HydrophobicContact CG1-CG1 4.1Å; V706-I787 PolarHBondContact N-O 2.87Å; V706-I787 PolarHBondContact O-N 2.64Å; V706-Y802 HydrophobicContact CB-CD1 4.46Å; V706-Y802 HydrophobicContact CB-CD2 4.44Å; V706-Y802 HydrophobicContact CB-CE1 4.08Å; V706-Y802 HydrophobicContact CB-CE2 4.04Å; V706-Y802 HydrophobicContact CG1-CD1 3.95Å; V706-Y802 HydrophobicContact CG1-CD2 3.91Å; V706-Y802 HydrophobicContact CG1-CE1 4.08Å; V706-Y802 HydrophobicContact CG1-CE2 4.03Å; V706-Y802 HydrophobicContact CG1-CG 3.86Å; V706-Y802 HydrophobicContact CG2-CD2 4.46Å; V706-Y802 HydrophobicContact CG2-CE2 3.88Å; V706-Y804 HydrophobicContact CG2-CE1 4.02Å; V706-Y804 WeakPolarHBondContact CG2-OH 3.47Å
707	T	94.9	Very high	91.2	Very high	71 Å²	71	49.3 Å²	49.3	44%	0.436	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123	163.9	-54.3	0	0	0	0	109.4	T786	T707-T786 PolarHBondContact OG1-OG1 2.77Å
708	I	94.9	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.8	-179.6	-55.4	156.2	0	0	0	107.3	V706 A712 L715 L781 P784 I785 I787 Y804	V706-I708 HydrophobicContact CG1-CG1 4.26Å; I708-A712 HydrophobicContact CG2-CB 3.5Å; I708-L715 HydrophobicContact CD1-CD1 3.37Å; I708-L715 HydrophobicContact CD1-CD2 3.66Å; I708-L715 HydrophobicContact CD1-CG 4.14Å; I708-L715 HydrophobicContact CG1-CD1 4.33Å; I708-L781 HydrophobicContact CB-CD1 4.2Å; I708-L781 HydrophobicContact CG2-CD1 3.6Å; I708-P784 CarbonylContact O-C 3.58Å; I708-P784 WeakPolarHBondContact O-CA 3.43Å; I708-P784 WeakPolarHBondContact O-CB 3.41Å; I708-I785 HydrophobicContact CB-CG1 4.29Å; I708-I785 HydrophobicContact CD1-CD1 4.36Å; I708-I785 HydrophobicContact CD1-CG1 4.11Å; I708-I785 PolarHBondContact N-O 2.81Å; I708-I785 PolarHBondContact O-N 2.83Å; I708-I787 HydrophobicContact CD1-CD1 3.71Å; I708-I787 HydrophobicContact CD1-CG1 3.4Å; I708-I787 VanDerWaalsContact CD1-CG1 3.4Å; I708-I787 HydrophobicContact CG1-CG1 4.25Å; I708-Y804 HydrophobicContact CG1-CD1 4.23Å; I708-Y804 HydrophobicContact CG1-CE1 4.03Å; I708-Y804 HydrophobicContact CG2-CD1 4.47Å; I708-Y804 HydrophobicContact CG2-CD2 3.89Å; I708-Y804 HydrophobicContact CG2-CE2 4.01Å; I708-Y804 HydrophobicContact CG2-CG 4.12Å
709	P	94.3	Very high	92.1	Very high	52 Å²	52	42.5 Å²	42.5	34%	0.338	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-72.9	158.9	-178	31	-35.1	0	0	0	112.1	A712 A806	P709-A712 HydrophobicContact CG-CB 4.34Å; P709-A712 WeakPolarHBondContact O-CB 3.4Å; P709-A712 PolarHBondContact O-N 3.41Å; P709-A806 HydrophobicContact CG-CB 4.21Å
710	A	91.8	Very high	92.2	Very high	44 Å²	44	40.4 Å²	40.4	36%	0.364	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	153.6	163.6	0	0	0	0	0	111.2	A712 L781 P782	A710-A712 PolarHBondContact O-N 3.45Å; A710-L781 CarbonylContact C-O 3.57Å; A710-L781 WeakPolarHBondContact CA-O 3.17Å; A710-P782 WeakPolarHBondContact CB-O 3.41Å
711	G	89.9	Confident	91.4	Very high	29 Å²	29	37.6 Å²	37.6	30%	0.299	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-2.8	-172.4	0	0	0	0	0	114.8	L781 P807	G711-L781 PolarHBondContact N-O 3.38Å; G711-P807 WeakPolarHBondContact O-CG 3.46Å
712	A	93.2	Very high	90.2	Very high	2 Å²	2	39 Å²	39	2%	0.017	21%	0.212	C	C	.	.			trans	-71.4	141.8	177.1	0	0	0	0	0	112.3	I708 P709 A710 P780 L781 Y804 F805	I708-A712 HydrophobicContact CG2-CB 3.5Å; P709-A712 HydrophobicContact CG-CB 4.34Å; P709-A712 WeakPolarHBondContact O-CB 3.4Å; P709-A712 PolarHBondContact O-N 3.41Å; A710-A712 PolarHBondContact O-N 3.45Å; A712-P780 WeakPolarHBondContact O-CA 3.49Å; A712-L781 HydrophobicContact CB-CD1 4.49Å; A712-L781 PolarHBondContact O-N 3.09Å; A712-Y804 HydrophobicContact CB-CD2 4.01Å; A712-F805 CarbonylContact C-O 3.47Å; A712-F805 WeakPolarHBondContact CA-O 3.38Å; A712-F805 WeakPolarHBondContact CB-O 3.35Å
713	T	92.6	Very high	88.3	Confident	1 Å²	1	40 Å²	40	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.4	-175.5	52.4	0	0	0	0	112.9	K677 C678 L715 P780 F805	K677-T713 PolarHBondContact O-OG1 3.38Å; C678-T713 WeakPolarHBondContact O-CG2 3.38Å; C678-T713 PolarHBondContact O-OG1 2.99Å; T713-L715 VanDerWaalsContact C-N 3.27Å; T713-L715 PolarHBondContact O-N 3.33Å; T713-P780 HydrophobicContact CG2-CB 4.01Å; T713-P780 HydrophobicContact CG2-CG 3.69Å; T713-F805 PolarHBondContact N-O 3.21Å; T713-F805 PolarHBondContact O-N 2.9Å
714	H	91.1	Very high	86.2	Confident	65 Å²	65	46.3 Å²	46.3	30%	0.301	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.9	46.8	-178.5	-55.9	86.5	0	0	0	113.3	D676 K677 D716 S777 F778 F805	D676-H714 PolarHBondContact O-CE1 3.22Å; K677-H714 PolarHBondContact O-ND1 3.16Å; H714-D716 PolarHBondContact O-N 3.16Å; H714-S777 CarbonylContact C-O 3.53Å; H714-S777 VanDerWaalsContact CA-O 3.28Å; H714-S777 WeakPolarHBondContact CA-O 3.22Å; H714-S777 PolarHBondContact N-O 3.4Å; H714-F778 PolarHBondContact N-O 2.89Å; H714-F805 HydrophobicContact CB-CD2 3.98Å; H714-F805 HydrophobicContact CB-CE2 4.23Å
715	L	94.2	Very high	84.3	Confident	5 Å²	5	46 Å²	46	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	128.6	171.7	176.6	59.6	0	0	0	109.9	I708 T713 V717 L763 L775 R776 S777 I785 Y804	I708-L715 HydrophobicContact CD1-CD1 3.37Å; I708-L715 HydrophobicContact CD1-CD2 3.66Å; I708-L715 HydrophobicContact CD1-CG 4.14Å; I708-L715 HydrophobicContact CG1-CD1 4.33Å; T713-L715 VanDerWaalsContact C-N 3.27Å; T713-L715 PolarHBondContact O-N 3.33Å; L715-V717 HydrophobicContact CD1-CG2 3.65Å; L715-V717 HydrophobicContact CG-CG2 4.22Å; L715-L763 HydrophobicContact CD2-CD2 3.86Å; L715-L775 HydrophobicContact CD2-CD2 4.41Å; L715-R776 WeakPolarHBondContact O-CA 3.47Å; L715-S777 PolarHBondContact N-O 2.8Å; L715-S777 PolarHBondContact O-N 3.02Å; L715-S777 VanDerWaalsContact O-N 3.12Å; L715-I785 HydrophobicContact CD2-CD1 4.22Å; L715-Y804 HydrophobicContact CD1-CD1 4.43Å
716	D	95.3	Very high	82.2	Confident	27 Å²	27	55.3 Å²	55.3	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	97.5	175.9	-168.2	19.1	0	0	0	109.2	H714 K718 R774 Y802 S803	H714-D716 PolarHBondContact O-N 3.16Å; D716-K718 VanDerWaalsContact CG-NZ 3.32Å; D716-K718 WeakPolarHBondContact OD1-CE 3.35Å; D716-K718 IonicContact OD1-NZ 2.74Å; D716-K718 VanDerWaalsContact OD2-CE 3.26Å; D716-K718 WeakPolarHBondContact OD2-CE 3.24Å; D716-K718 IonicContact OD2-NZ 3.21Å; D716-K718 PolarHBondContact OD2-NZ 3.35Å; D716-R774 IonicContact OD1-CZ 2.64Å; D716-R774 IonicContact OD1-NE 3.32Å; D716-R774 PolarHBondContact OD1-NE 3.23Å; D716-R774 IonicContact OD1-NH2 3.17Å; D716-R774 PolarHBondContact OD1-NH2 3Å; D716-R774 IonicContact OD2-CZ 3.81Å; D716-R774 IonicContact OD2-NH2 3.58Å; D716-R774 PolarHBondContact OD2-NH2 2.66Å; D716-Y802 WeakPolarHBondContact O-CA 3.21Å; D716-S803 PolarHBondContact N-O 3.02Å; D716-S803 PolarHBondContact O-N 3.21Å
717	V	96.6	Very high	80.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.9	173.7	-169.1	0	0	0	0	108.8	L715 L732 R774 L775 I787 V800	L715-V717 HydrophobicContact CD1-CG2 3.65Å; L715-V717 HydrophobicContact CG-CG2 4.22Å; V717-L732 HydrophobicContact CB-CD1 4.29Å; V717-L732 HydrophobicContact CG1-CD1 3.85Å; V717-L732 HydrophobicContact CG1-CD2 3.78Å; V717-R774 VanDerWaalsContact O-CA 3.29Å; V717-R774 WeakPolarHBondContact O-CA 3.3Å; V717-R774 WeakPolarHBondContact O-CG 3.44Å; V717-L775 HydrophobicContact CB-CB 4.24Å; V717-L775 HydrophobicContact CG2-CD2 4.49Å; V717-L775 PolarHBondContact N-O 2.88Å; V717-L775 PolarHBondContact O-N 3.17Å; V717-I787 HydrophobicContact CG1-CG2 4.13Å; V717-I787 HydrophobicContact CG2-CD1 4.33Å; V717-I787 HydrophobicContact CG2-CG1 4.19Å; V717-I787 HydrophobicContact CG2-CG2 4.46Å; V717-V800 HydrophobicContact CG1-CG1 3.94Å
718	K	94.3	Very high	79.1	Confident	65 Å²	65	58.1 Å²	58.1	28%	0.283	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	118.2	178.3	-65	169.8	-165.7	117.2	0	109.5	D716 L772 E773 R774 V800 K801	D716-K718 VanDerWaalsContact CG-NZ 3.32Å; D716-K718 WeakPolarHBondContact OD1-CE 3.35Å; D716-K718 IonicContact OD1-NZ 2.74Å; D716-K718 VanDerWaalsContact OD2-CE 3.26Å; D716-K718 WeakPolarHBondContact OD2-CE 3.24Å; D716-K718 IonicContact OD2-NZ 3.21Å; D716-K718 PolarHBondContact OD2-NZ 3.35Å; K718-L772 HydrophobicContact CB-CD1 4.27Å; K718-L772 HydrophobicContact CD-CD2 4.41Å; K718-L772 HydrophobicContact CG-CD2 4.49Å; K718-E773 CarbonylContact C-O 3.54Å; K718-E773 WeakPolarHBondContact CA-O 3.43Å; K718-R774 HydrophobicContact CG-CG 3.95Å; K718-V800 CarbonylContact O-C 3.54Å; K718-V800 VanDerWaalsContact O-CA 3.29Å; K718-V800 WeakPolarHBondContact O-CA 3.43Å; K718-K801 PolarHBondContact N-O 2.98Å; K718-K801 PolarHBondContact O-N 3.13Å
719	Q	90.3	Very high	78.5	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.014	34%	0.344	C	S	.	.			trans	-81.7	157.6	152.6	174.1	-76.4	-1	0	0	107.7	S721 D728 S730 L732 L772 E773 V800	Q719-S721 VanDerWaalsContact NE2-N 3.12Å; Q719-S721 PolarHBondContact NE2-OG 2.85Å; Q719-S721 VanDerWaalsContact NE2-OG 3.08Å; Q719-D728 PolarHBondContact NE2-OD1 2.89Å; Q719-D728 PolarHBondContact NE2-OD2 3.49Å; Q719-S730 WeakPolarHBondContact CG-O 3.07Å; Q719-S730 PolarHBondContact NE2-O 3.07Å; Q719-L732 HydrophobicContact CB-CD1 4.44Å; Q719-L732 HydrophobicContact CB-CD2 4.28Å; Q719-L732 HydrophobicContact CB-CG 4.06Å; Q719-L772 WeakPolarHBondContact O-CD1 3.33Å; Q719-E773 HydrophobicContact CB-CB 4.19Å; Q719-E773 PolarHBondContact N-O 3.42Å; Q719-V800 HydrophobicContact CB-CG2 4.19Å
720	R	84.7	Confident	78.2	Confident	156 Å²	156	58.6 Å²	58.6	59%	0.589	33%	0.328	S	S	*	.			trans	-147.8	109.4	169.7	-168.8	179.6	-173.2	-139	-1	113	L772 R799	R720-L772 HydrophobicContact CB-CD1 3.86Å; R720-L772 HydrophobicContact CG-CD1 3.9Å; R720-R799 HydrophobicContact CB-CB 4.48Å; R720-R799 PolarHBondContact N-O 3.46Å; R720-R799 WeakPolarHBondContact O-CB 3.2Å; R720-R799 WeakPolarHBondContact O-CD 3.31Å
721	S	68.8	Low	78.1	Confident	31 Å²	31	58 Å²	58	22%	0.217	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-55.3	143.1	174.1	-52	0	0	0	0	112.2	Q719	Q719-S721 VanDerWaalsContact NE2-N 3.12Å; Q719-S721 PolarHBondContact NE2-OG 2.85Å; Q719-S721 VanDerWaalsContact NE2-OG 3.08Å
722	P	62.9	Low	78.3	Confident	48 Å²	48	56.6 Å²	56.6	31%	0.312	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-56.7	150.3	166.6	-23	34.4	0	0	0	111.8	D728	P722-D728 HydrophobicContact CG-CB 4.31Å
723	G	52.7	Low	78.3	Confident	70 Å²	70	56.5 Å²	56.5	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	148.4	-168.4	0	0	0	0	0	115.4	G725	G723-G725 PolarHBondContact O-N 3.11Å
724	N	48.1	Very low	78.5	Confident	184 Å²	184	56.5 Å²	56.5	98%	0.984	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	32.7	159.7	-85	43.7	0	0	0	119.3
725	G	51.1	Low	78.6	Confident	73 Å²	73	56.4 Å²	56.4	75%	0.753	30%	0.298	S	S	*	.	S	Bend	trans	150.5	5.7	156.1	0	0	0	0	0	119.2	G723	G723-G725 PolarHBondContact O-N 3.11Å
726	R	50.2	Low	78.5	Confident	217 Å²	217	58.9 Å²	58.9	82%	0.819	31%	0.307	S	S	*	.			trans	-127.6	115.9	170	-68.2	-172.8	179	-170.2	-1	110.3
727	Q	58.9	Low	78.2	Confident	129 Å²	129	64.5 Å²	64.5	60%	0.603	33%	0.333	S	S	*	.			trans	-56.5	136	160	-69.1	175	-21.3	0	0	107.5	N729 Y731	Q727-N729 PolarHBondContact O-N 3.04Å; Q727-Y731 PolarHBondContact OE1-OH 2.89Å
728	D	66	Low	77.8	Confident	20 Å²	20	69.8 Å²	69.8	11%	0.107	36%	0.361	C	S	.	.			trans	-83.5	13.1	171.6	60.6	-10.8	0	0	0	112	Q719 P722 S730	Q719-D728 PolarHBondContact NE2-OD1 2.89Å; Q719-D728 PolarHBondContact NE2-OD2 3.49Å; P722-D728 HydrophobicContact CG-CB 4.31Å; D728-S730 PolarHBondContact O-N 2.97Å; D728-S730 PolarHBondContact O-OG 3.39Å
729	N	81.3	Confident	77.4	Confident	62 Å²	62	68.2 Å²	68.2	33%	0.332	36%	0.364	S	S	.	.	S	Bend	trans	47.7	32.6	180	-65.1	-6	0	0	0	113.3	Q727 S791 V792	Q727-N729 PolarHBondContact O-N 3.04Å; N729-S791 WeakPolarHBondContact O-CA 3.38Å; N729-V792 HydrophobicContact CB-CB 4.11Å; N729-V792 WeakPolarHBondContact CB-O 3.1Å; N729-V792 PolarHBondContact ND2-O 3.27Å; N729-V792 PolarHBondContact O-N 3.45Å
730	S	87.3	Confident	77.4	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112.1	-169.9	-66	0	0	0	0	109.2	Q719 D728 L790	Q719-S730 WeakPolarHBondContact CG-O 3.07Å; Q719-S730 PolarHBondContact NE2-O 3.07Å; D728-S730 PolarHBondContact O-N 2.97Å; D728-S730 PolarHBondContact O-OG 3.39Å; S730-L790 CarbonylContact C-O 3.56Å; S730-L790 VanDerWaalsContact CA-O 3.31Å; S730-L790 WeakPolarHBondContact CA-O 3.04Å
731	Y	90.8	Very high	77.7	Confident	30 Å²	30	67.8 Å²	67.8	12%	0.118	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.3	-171.6	-55.8	-71.6	0	0	0	111.1	Q727 L749 E773 V789 L790	Q727-Y731 PolarHBondContact OE1-OH 2.89Å; Y731-L749 HydrophobicContact CD1-CD1 4.19Å; Y731-L749 HydrophobicContact CD1-CD2 4.43Å; Y731-L749 HydrophobicContact CD2-CD1 3.66Å; Y731-L749 HydrophobicContact CD2-CD2 3.97Å; Y731-L749 HydrophobicContact CD2-CG 4.48Å; Y731-L749 HydrophobicContact CE1-CD1 4.18Å; Y731-L749 HydrophobicContact CE2-CD1 3.66Å; Y731-L749 HydrophobicContact CG-CD1 3.93Å; Y731-L749 HydrophobicContact CG-CD2 3.76Å; Y731-E773 WeakPolarHBondContact CA-OE2 3.02Å; Y731-V789 CarbonylContact O-C 3.33Å; Y731-V789 WeakPolarHBondContact O-CA 3.37Å; Y731-L790 PolarHBondContact N-O 3.47Å; Y731-L790 PolarHBondContact O-N 2.94Å
732	L	93.9	Very high	78.6	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.2	177	-68.1	179.3	0	0	0	110.6	V717 Q719 N744 E773 L775 I787 V800	V717-L732 HydrophobicContact CB-CD1 4.29Å; V717-L732 HydrophobicContact CG1-CD1 3.85Å; V717-L732 HydrophobicContact CG1-CD2 3.78Å; Q719-L732 HydrophobicContact CB-CD1 4.44Å; Q719-L732 HydrophobicContact CB-CD2 4.28Å; Q719-L732 HydrophobicContact CB-CG 4.06Å; L732-N744 WeakPolarHBondContact O-CB 3.33Å; L732-N744 PolarHBondContact O-ND2 3.31Å; L732-E773 HydrophobicContact CB-CG 4.43Å; L732-E773 HydrophobicContact CD1-CG 4.22Å; L732-E773 HydrophobicContact CG-CG 4.3Å; L732-E773 WeakPolarHBondContact CG-OE2 3.35Å; L732-E773 PolarHBondContact N-OE1 3.31Å; L732-E773 PolarHBondContact N-OE2 3.33Å; L732-L775 HydrophobicContact CD1-CB 4.4Å; L732-I787 HydrophobicContact CD2-CG2 4.43Å; L732-V800 HydrophobicContact CD2-CG1 4.1Å; L732-V800 HydrophobicContact CD2-CG2 4.03Å
733	A	94.3	Very high	79.9	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.4	171.4	0	0	0	0	0	110.3	Y702 L743 N744 Q788	Y702-A733 HydrophobicContact CD1-CB 4.11Å; Y702-A733 HydrophobicContact CE1-CB 3.74Å; A733-L743 WeakPolarHBondContact CA-O 3.41Å; A733-L743 WeakPolarHBondContact CB-O 3.32Å; A733-N744 HydrophobicContact CB-CB 4.03Å; A733-Q788 HydrophobicContact CB-CB 4.07Å; A733-Q788 PolarHBondContact N-O 3.45Å; A733-Q788 PolarHBondContact O-N 3.13Å
734	V	95.3	Very high	81.7	Confident	1 Å²	1	63 Å²	63	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.3	179.6	-175.5	0	0	0	0	109.3	Y741 L742 L743 L775 I785 I787	V734-Y741 CarbonylContact O-C 3.51Å; V734-Y741 WeakPolarHBondContact O-CA 3.04Å; V734-L742 HydrophobicContact CB-CB 4.15Å; V734-L742 HydrophobicContact CG1-CB 4.08Å; V734-L742 HydrophobicContact CG1-CD1 4.01Å; V734-L742 PolarHBondContact O-N 2.84Å; V734-L743 HydrophobicContact CB-CB 3.98Å; V734-L743 HydrophobicContact CG2-CB 3.99Å; V734-L743 HydrophobicContact CG2-CD2 4.11Å; V734-L743 PolarHBondContact N-O 2.69Å; V734-L743 PolarHBondContact O-N 3.04Å; V734-L775 HydrophobicContact CG2-CD2 3.53Å; V734-I785 HydrophobicContact CG1-CB 4.02Å; V734-I785 HydrophobicContact CG1-CD1 4.11Å; V734-I785 HydrophobicContact CG1-CG1 4.4Å; V734-I787 HydrophobicContact CG1-CD1 4.49Å; V734-I787 HydrophobicContact CG2-CD1 3.96Å
735	R	94.4	Very high	83.6	Confident	62 Å²	62	54.6 Å²	54.6	23%	0.234	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135	-177.7	-170.1	171	61.1	89.9	-4	110.1	D704 T740 Y741 T786	D704-R735 IonicContact OD1-NH2 2.89Å; D704-R735 PolarHBondContact OD1-NH2 3.07Å; D704-R735 IonicContact OD2-NH2 2.62Å; D704-R735 PolarHBondContact OD2-NH2 2.8Å; D704-R735 VanDerWaalsContact OD2-NH2 3.17Å; R735-T740 CarbonylContact C-O 3.52Å; R735-T740 WeakPolarHBondContact CA-O 3.37Å; R735-Y741 HydrophobicContact CB-CD1 4.25Å; R735-Y741 HydrophobicContact CB-CE1 4.2Å; R735-Y741 HydrophobicContact CG-CE1 4.41Å; R735-T786 PolarHBondContact N-O 3.31Å; R735-T786 PolarHBondContact O-N 2.77Å
736	R	92.3	Very high	85.3	Confident	57 Å²	57	56 Å²	56	22%	0.215	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	171	172.9	-67.9	-169	-169.2	-128.9	14.6	111.2	D738 G739 T740 L742 E783	R736-D738 VanDerWaalsContact C-N 3.31Å; R736-D738 WeakPolarHBondContact CB-OD1 3.16Å; R736-D738 PolarHBondContact O-N 2.91Å; R736-G739 PolarHBondContact O-N 3.36Å; R736-T740 WeakPolarHBondContact CD-OG1 3.44Å; R736-T740 PolarHBondContact N-O 2.72Å; R736-L742 HydrophobicContact CG-CD1 3.86Å; R736-L742 HydrophobicContact CG-CG 3.91Å; R736-E783 WeakPolarHBondContact CD-OE1 3.46Å; R736-E783 WeakPolarHBondContact CG-OE1 3.26Å; R736-E783 IonicContact CZ-OE1 2.69Å; R736-E783 IonicContact NE-OE1 3.12Å; R736-E783 IonicContact NH1-OE1 2.68Å; R736-E783 PolarHBondContact NH1-OE1 3.37Å; R736-E783 IonicContact NH1-OE2 3.95Å; R736-E783 PolarHBondContact NH1-OE2 3.37Å
737	Q	88.5	Confident	86.7	Confident	145 Å²	145	53.4 Å²	53.4	68%	0.678	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.8	172.8	-79.1	-168.8	-31.9	0	0	114	G739 P784	Q737-G739 PolarHBondContact O-N 3.02Å; Q737-P784 HydrophobicContact CG-CG 3.92Å
738	D	88.6	Confident	87.8	Confident	112 Å²	112	53.7 Å²	53.7	60%	0.599	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-7.8	174.7	64.5	14	0	0	0	113.8	R736 T740	R736-D738 VanDerWaalsContact C-N 3.31Å; R736-D738 WeakPolarHBondContact CB-OD1 3.16Å; R736-D738 PolarHBondContact O-N 2.91Å; D738-T740 VanDerWaalsContact OD1-CB 3.29Å; D738-T740 WeakPolarHBondContact OD1-CB 3.37Å; D738-T740 WeakPolarHBondContact OD1-CG2 3.49Å; D738-T740 PolarHBondContact OD1-N 2.48Å; D738-T740 PolarHBondContact OD1-OG1 3.22Å; D738-T740 PolarHBondContact OD2-OG1 3.41Å
739	G	85.6	Confident	88.7	Confident	32 Å²	32	55.8 Å²	55.8	33%	0.33	27%	0.272	S	S	.	.	S	Bend	trans	94.1	-9.8	-178.1	0	0	0	0	0	115	R736 Q737	R736-G739 PolarHBondContact O-N 3.36Å; Q737-G739 PolarHBondContact O-N 3.02Å
740	T	90.3	Very high	88.6	Confident	69 Å²	69	57 Å²	57	42%	0.423	28%	0.277	S	S	.	.			trans	-71.6	155.7	176.8	67.2	0	0	0	0	112.1	R735 R736 D738	R735-T740 CarbonylContact C-O 3.52Å; R735-T740 WeakPolarHBondContact CA-O 3.37Å; R736-T740 WeakPolarHBondContact CD-OG1 3.44Å; R736-T740 PolarHBondContact N-O 2.72Å; D738-T740 VanDerWaalsContact OD1-CB 3.29Å; D738-T740 WeakPolarHBondContact OD1-CB 3.37Å; D738-T740 WeakPolarHBondContact OD1-CG2 3.49Å; D738-T740 PolarHBondContact OD1-N 2.48Å; D738-T740 PolarHBondContact OD1-OG1 3.22Å; D738-T740 PolarHBondContact OD2-OG1 3.41Å
741	Y	89.7	Confident	88.2	Confident	80 Å²	80	60.6 Å²	60.6	31%	0.314	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.1	-179.4	-73.8	-92.5	0	0	0	112.2	Y702 V734 R735 G745 Q788	Y702-Y741 HydrophobicContact CD1-CE1 4.02Å; Y702-Y741 AromaticContact CE1-CE1 3.76Å; Y702-Y741 HydrophobicContact CE1-CE1 3.76Å; V734-Y741 CarbonylContact O-C 3.51Å; V734-Y741 WeakPolarHBondContact O-CA 3.04Å; R735-Y741 HydrophobicContact CB-CD1 4.25Å; R735-Y741 HydrophobicContact CB-CE1 4.2Å; R735-Y741 HydrophobicContact CG-CE1 4.41Å; Y741-G745 VanDerWaalsContact CD1-CA 3.41Å; Y741-Q788 PolarHBondContact OH-OE1 3.44Å
742	L	88.9	Confident	87.6	Confident	31 Å²	31	65.2 Å²	65.2	16%	0.162	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-26.2	168.9	-72.9	167.2	0	0	0	112.2	V734 R736 I756 L758 I785	V734-L742 HydrophobicContact CB-CB 4.15Å; V734-L742 HydrophobicContact CG1-CB 4.08Å; V734-L742 HydrophobicContact CG1-CD1 4.01Å; V734-L742 PolarHBondContact O-N 2.84Å; R736-L742 HydrophobicContact CG-CD1 3.86Å; R736-L742 HydrophobicContact CG-CG 3.91Å; L742-I756 HydrophobicContact CB-CG2 4.26Å; L742-I756 HydrophobicContact CD2-CG2 4.44Å; L742-L758 HydrophobicContact CD1-CD1 3.72Å; L742-L758 HydrophobicContact CD1-CD2 4.23Å; L742-L758 HydrophobicContact CD1-CG 4.49Å; L742-L758 HydrophobicContact CD2-CD1 4.16Å; L742-I785 HydrophobicContact CD1-CG2 4.05Å
743	L	90.8	Very high	87	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	136.3	-178.7	176.3	63.1	0	0	0	110.6	A733 V734 G745 M750 I756 Y765 L775	A733-L743 WeakPolarHBondContact CA-O 3.41Å; A733-L743 WeakPolarHBondContact CB-O 3.32Å; V734-L743 HydrophobicContact CB-CB 3.98Å; V734-L743 HydrophobicContact CG2-CB 3.99Å; V734-L743 HydrophobicContact CG2-CD2 4.11Å; V734-L743 PolarHBondContact N-O 2.69Å; V734-L743 PolarHBondContact O-N 3.04Å; L743-G745 VanDerWaalsContact C-N 3.31Å; L743-G745 PolarHBondContact O-N 2.68Å; L743-M750 HydrophobicContact CD1-CB 3.96Å; L743-I756 HydrophobicContact CB-CD1 4.11Å; L743-I756 HydrophobicContact CD1-CD1 4.17Å; L743-I756 HydrophobicContact CD2-CD1 4.19Å; L743-I756 HydrophobicContact CG-CD1 4.38Å; L743-Y765 HydrophobicContact CD1-CD1 3.73Å; L743-Y765 HydrophobicContact CD1-CD2 4.43Å; L743-Y765 HydrophobicContact CD1-CE1 3.65Å; L743-Y765 HydrophobicContact CD1-CE2 4.35Å; L743-Y765 HydrophobicContact CD1-CG 4.1Å; L743-Y765 HydrophobicContact CD2-CD1 4.19Å; L743-Y765 HydrophobicContact CD2-CD2 3.44Å; L743-Y765 VanDerWaalsContact CD2-CD2 3.44Å; L743-Y765 HydrophobicContact CD2-CE1 4.37Å; L743-Y765 HydrophobicContact CD2-CE2 3.65Å; L743-Y765 HydrophobicContact CD2-CG 3.7Å; L743-L775 HydrophobicContact CD2-CD1 4.37Å
744	N	90.1	Very high	86.3	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.048	35%	0.353	C	S	.	.	S	Bend	trans	51.3	41.4	170.1	-63.1	-11.6	0	0	0	114.9	Y702 L732 A733 K748 L749 M750 Y765	Y702-N744 VanDerWaalsContact CE1-O 3.25Å; Y702-N744 WeakPolarHBondContact CE1-O 3.37Å; Y702-N744 PolarHBondContact OH-O 2.92Å; L732-N744 WeakPolarHBondContact O-CB 3.33Å; L732-N744 PolarHBondContact O-ND2 3.31Å; A733-N744 HydrophobicContact CB-CB 4.03Å; N744-K748 CarbonylContact C-O 3.58Å; N744-K748 WeakPolarHBondContact CA-O 3.18Å; N744-L749 HydrophobicContact CB-CD2 4.1Å; N744-M750 WeakPolarHBondContact OD1-CB 3.5Å; N744-M750 PolarHBondContact OD1-N 3.41Å; N744-Y765 PolarHBondContact ND2-OH 2.92Å
745	G	87.7	Confident	85.8	Confident	9 Å²	9	71.9 Å²	71.9	9%	0.093	36%	0.357	C	S	.	.			trans	-81.2	171.9	171.6	0	0	0	0	0	113.9	Y702 Y741 L743 Y747 K748	Y702-G745 VanDerWaalsContact OH-C 3.26Å; Y702-G745 WeakPolarHBondContact OH-CA 3.5Å; Y741-G745 VanDerWaalsContact CD1-CA 3.41Å; L743-G745 VanDerWaalsContact C-N 3.31Å; L743-G745 PolarHBondContact O-N 2.68Å; G745-Y747 PolarHBondContact O-N 3.15Å; G745-Y747 VanDerWaalsContact O-N 3.07Å; G745-K748 WeakPolarHBondContact O-CB 3.37Å; G745-K748 PolarHBondContact O-N 2.7Å
746	D	85.8	Confident	85.3	Confident	103 Å²	103	70 Å²	70	55%	0.551	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	29.1	176.3	-45.3	-28.3	0	0	0	115.4	Y702 K748	Y702-D746 PolarHBondContact OH-N 3.13Å; D746-K748 HydrophobicContact CB-CD 3.94Å; D746-K748 HydrophobicContact CB-CG 4.28Å; D746-K748 PolarHBondContact O-N 2.81Å; D746-K748 IonicContact OD2-NZ 2.7Å; D746-K748 PolarHBondContact OD2-NZ 2.68Å
747	Y	81.3	Confident	84.6	Confident	162 Å²	162	70.1 Å²	70.1	64%	0.635	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	14.6	-171.1	-53.2	-87	0	0	0	115	Y702 G745 L790	Y702-Y747 HydrophobicContact CD2-CE1 4.12Å; Y702-Y747 AromaticContact CE2-CD1 3.93Å; Y702-Y747 HydrophobicContact CE2-CD1 3.93Å; Y702-Y747 HydrophobicContact CE2-CD2 4.42Å; Y702-Y747 AromaticContact CE2-CE1 3.79Å; Y702-Y747 HydrophobicContact CE2-CE1 3.79Å; Y702-Y747 HydrophobicContact CE2-CE2 4.29Å; Y702-Y747 HydrophobicContact CE2-CG 4.25Å; Y702-Y747 AromaticContact CE2-CZ 3.97Å; Y702-Y747 WeakPolarHBondContact OH-CA 3.43Å; Y702-Y747 PolarHBondContact OH-N 2.7Å; G745-Y747 PolarHBondContact O-N 3.15Å; G745-Y747 VanDerWaalsContact O-N 3.07Å; Y747-L790 HydrophobicContact CD1-CD1 3.75Å; Y747-L790 HydrophobicContact CD1-CD2 4.23Å; Y747-L790 HydrophobicContact CE1-CD1 3.8Å
748	K	81.9	Confident	84.3	Confident	134 Å²	134	63.3 Å²	63.3	58%	0.583	33%	0.326	S	S	*	.			trans	-86	144.1	173.2	-57.8	159.2	-170.2	159.6	0	109.2	N744 G745 D746	N744-K748 CarbonylContact C-O 3.58Å; N744-K748 WeakPolarHBondContact CA-O 3.18Å; G745-K748 WeakPolarHBondContact O-CB 3.37Å; G745-K748 PolarHBondContact O-N 2.7Å; D746-K748 HydrophobicContact CB-CD 3.94Å; D746-K748 HydrophobicContact CB-CG 4.28Å; D746-K748 PolarHBondContact O-N 2.81Å; D746-K748 IonicContact OD2-NZ 2.7Å; D746-K748 PolarHBondContact OD2-NZ 2.68Å
749	L	83.6	Confident	83.6	Confident	64 Å²	64	63 Å²	63	34%	0.335	32%	0.321	S	S	.	.			trans	-122.8	128.8	-179.7	-66	178.3	0	0	0	111.9	Y731 N744 T751 L790	Y731-L749 HydrophobicContact CD1-CD1 4.19Å; Y731-L749 HydrophobicContact CD1-CD2 4.43Å; Y731-L749 HydrophobicContact CD2-CD1 3.66Å; Y731-L749 HydrophobicContact CD2-CD2 3.97Å; Y731-L749 HydrophobicContact CD2-CG 4.48Å; Y731-L749 HydrophobicContact CE1-CD1 4.18Å; Y731-L749 HydrophobicContact CE2-CD1 3.66Å; Y731-L749 HydrophobicContact CG-CD1 3.93Å; Y731-L749 HydrophobicContact CG-CD2 3.76Å; N744-L749 HydrophobicContact CB-CD2 4.1Å; L749-T751 PolarHBondContact O-N 3.1Å; L749-L790 HydrophobicContact CD2-CD2 4.23Å
750	M	79.8	Confident	82.6	Confident	89 Å²	89	63.1 Å²	63.1	44%	0.438	32%	0.322	S	S	.	.			trans	-82.6	105.9	169.8	-175.6	68.5	72.9	0	0	109	L743 N744 S754 Y765 S768	L743-M750 HydrophobicContact CD1-CB 3.96Å; N744-M750 WeakPolarHBondContact OD1-CB 3.5Å; N744-M750 PolarHBondContact OD1-N 3.41Å; M750-S754 VanDerWaalsContact CG-OG 3.27Å; M750-S754 WeakPolarHBondContact CG-OG 3.04Å; M750-S754 PolarHBondContact SD-OG 2.85Å; M750-S754 VanDerWaalsContact SD-OG 3.33Å; M750-Y765 HydrophobicContact CB-CE1 3.82Å; M750-Y765 HydrophobicContact CG-CD1 4.27Å; M750-Y765 HydrophobicContact CG-CE1 3.91Å; M750-Y765 VanDerWaalsContact O-CE1 3.29Å; M750-Y765 WeakPolarHBondContact O-CE1 3.4Å; M750-Y765 PolarHBondContact O-OH 3.2Å; M750-S768 PolarHBondContact O-N 2.85Å; M750-S768 PolarHBondContact O-OG 2.95Å
751	T	79.1	Confident	81.9	Confident	75 Å²	75	60.3 Å²	60.3	46%	0.46	31%	0.306	S	S	.	.			trans	-81	-23.7	-172.9	51	0	0	0	0	114.3	L749 G767 S768 S769	L749-T751 PolarHBondContact O-N 3.1Å; T751-G767 CarbonylContact O-C 3.55Å; T751-G767 WeakPolarHBondContact O-CA 3.46Å; T751-S768 WeakPolarHBondContact CA-OG 3.23Å; T751-S768 PolarHBondContact O-N 2.95Å; T751-S769 WeakPolarHBondContact O-CB 3.2Å; T751-S769 PolarHBondContact O-N 3.25Å; T751-S769 PolarHBondContact O-OG 3.09Å
752	M	77.2	Confident	81.5	Confident	126 Å²	126	57.6 Å²	57.6	62%	0.621	30%	0.297	S	S	*	.	S	Bend	trans	-109.9	157	-171.1	-56.8	-62.3	-79.7	0	0	112.8	S754 G767	M752-S754 PolarHBondContact O-N 3.06Å; M752-S754 PolarHBondContact O-OG 2.76Å; M752-G767 VanDerWaalsContact C-CA 3.49Å; M752-G767 WeakPolarHBondContact O-CA 3.4Å
753	E	81.5	Confident	81.5	Confident	107 Å²	107	56.2 Å²	56.2	50%	0.5	29%	0.289	S	S	.	.			trans	-56.4	126	173.7	-176.3	173.7	-148	0	0	110.7	R764 Y765 S766	E753-R764 WeakPolarHBondContact OE1-CD 3.38Å; E753-Y765 CarbonylContact C-O 3.58Å; E753-Y765 VanDerWaalsContact CA-O 3.3Å; E753-Y765 WeakPolarHBondContact CA-O 3.44Å; E753-Y765 WeakPolarHBondContact CG-O 3.41Å; E753-S766 PolarHBondContact N-O 2.94Å
754	S	80.9	Confident	81.4	Confident	21 Å²	21	57.9 Å²	57.9	15%	0.147	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.2	-167.9	-65.8	0	0	0	0	112.6	M750 M752 Y765	M750-S754 VanDerWaalsContact CG-OG 3.27Å; M750-S754 WeakPolarHBondContact CG-OG 3.04Å; M750-S754 PolarHBondContact SD-OG 2.85Å; M750-S754 VanDerWaalsContact SD-OG 3.33Å; M752-S754 PolarHBondContact O-N 3.06Å; M752-S754 PolarHBondContact O-OG 2.76Å; S754-Y765 PolarHBondContact N-O 3.16Å; S754-Y765 PolarHBondContact O-N 3.31Å
755	D	83.4	Confident	81.5	Confident	15 Å²	15	57.5 Å²	57.5	8%	0.08	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.4	174.1	-79.5	-15	0	0	0	109	Y613 A614 R627 L762 R764	Y613-D755 WeakPolarHBondContact CB-OD2 3.14Å; Y613-D755 PolarHBondContact N-OD2 2.03Å; A614-D755 WeakPolarHBondContact CB-OD2 3.34Å; A614-D755 PolarHBondContact N-OD2 2.78Å; R627-D755 PolarHBondContact NH2-O 3.31Å; R627-D755 VanDerWaalsContact NH2-O 3.11Å; D755-L762 HydrophobicContact CB-CD1 4.01Å; D755-L762 HydrophobicContact CB-CD2 4.4Å; D755-R764 VanDerWaalsContact CG-NH2 3.29Å; D755-R764 IonicContact OD1-CZ 3.21Å; D755-R764 IonicContact OD1-NE 2.73Å; D755-R764 PolarHBondContact OD1-NE 3.46Å; D755-R764 IonicContact OD1-NH2 2.87Å; D755-R764 PolarHBondContact OD1-NH2 2.82Å; D755-R764 IonicContact OD2-NH2 2.83Å; D755-R764 PolarHBondContact OD2-NH2 3.05Å; D755-R764 VanDerWaalsContact OD2-NH2 3.11Å
756	I	85.2	Confident	81.5	Confident	21 Å²	21	58.4 Å²	58.4	11%	0.108	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.1	-177.1	-54.5	155.6	0	0	0	108.5	L742 L743 L763 L775	L742-I756 HydrophobicContact CB-CG2 4.26Å; L742-I756 HydrophobicContact CD2-CG2 4.44Å; L743-I756 HydrophobicContact CB-CD1 4.11Å; L743-I756 HydrophobicContact CD1-CD1 4.17Å; L743-I756 HydrophobicContact CD2-CD1 4.19Å; L743-I756 HydrophobicContact CG-CD1 4.38Å; I756-L763 HydrophobicContact CB-CB 4.05Å; I756-L763 WeakPolarHBondContact CB-O 3.15Å; I756-L763 HydrophobicContact CD1-CB 4.49Å; I756-L763 PolarHBondContact N-O 3.29Å; I756-L763 PolarHBondContact O-N 3.25Å; I756-L775 HydrophobicContact CD1-CD1 4.32Å
757	T	77.3	Confident	81.5	Confident	61 Å²	61	53.5 Å²	53.5	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.3	177.4	-57	0	0	0	0	111.2	E586	E586-T757 VanDerWaalsContact OE1-CG2 3.28Å; E586-T757 WeakPolarHBondContact OE1-CG2 3.42Å
758	L	81.1	Confident	81.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	90.7	176.9	-179.2	61.8	0	0	0	109.6	L742 G760 A761 L763 L781 P782 E783 I785	L742-L758 HydrophobicContact CD1-CD1 3.72Å; L742-L758 HydrophobicContact CD1-CD2 4.23Å; L742-L758 HydrophobicContact CD1-CG 4.49Å; L742-L758 HydrophobicContact CD2-CD1 4.16Å; L758-G760 PolarHBondContact O-N 2.92Å; L758-A761 PolarHBondContact N-O 3.34Å; L758-A761 WeakPolarHBondContact O-CB 3.33Å; L758-A761 PolarHBondContact O-N 2.86Å; L758-L763 HydrophobicContact CB-CD1 4.42Å; L758-L763 HydrophobicContact CD2-CD1 3.88Å; L758-L781 HydrophobicContact CD2-CD2 4.44Å; L758-P782 HydrophobicContact CG-CG 4.31Å; L758-P782 WeakPolarHBondContact O-CG 3.38Å; L758-E783 HydrophobicContact CD1-CG 3.72Å; L758-E783 WeakPolarHBondContact CD1-OE1 3.43Å; L758-E783 HydrophobicContact CD2-CG 4.29Å; L758-E783 HydrophobicContact CG-CG 4.16Å; L758-I785 HydrophobicContact CD2-CG2 3.69Å
759	Q	74.7	Confident	81.7	Confident	107 Å²	107	44.3 Å²	44.3	50%	0.5	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	58.7	-179.9	-56.1	-177.9	-0.2	0	0	112.5	G581 A761 P782 E783	G581-Q759 CarbonylContact O-C 3.3Å; Q759-A761 PolarHBondContact O-N 3.09Å; Q759-A761 VanDerWaalsContact O-N 3.1Å; Q759-P782 HydrophobicContact CB-CB 4.22Å; Q759-P782 HydrophobicContact CB-CG 3.8Å; Q759-E783 PolarHBondContact NE2-OE2 3.14Å
760	G	63.7	Low	81.4	Confident	33 Å²	33	42.6 Å²	42.6	34%	0.34	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-19	-179.5	0	0	0	0	0	115.5	G581 L758	G581-G760 WeakPolarHBondContact O-CA 3.36Å; G581-G760 PolarHBondContact O-N 2.93Å; L758-G760 PolarHBondContact O-N 2.92Å
761	A	75.3	Confident	81.3	Confident	10 Å²	10	43.3 Å²	43.3	8%	0.083	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	151.7	168.6	0	0	0	0	0	111.5	L758 Q759 P782	L758-A761 PolarHBondContact N-O 3.34Å; L758-A761 WeakPolarHBondContact O-CB 3.33Å; L758-A761 PolarHBondContact O-N 2.86Å; Q759-A761 PolarHBondContact O-N 3.09Å; Q759-A761 VanDerWaalsContact O-N 3.1Å; A761-P782 HydrophobicContact CB-CG 4.23Å
762	L	82.5	Confident	81.6	Confident	24 Å²	24	42.7 Å²	42.7	13%	0.126	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.5	179	-166.6	77.3	0	0	0	112.1	Y613 P649 D755	Y613-L762 HydrophobicContact CD2-CD2 4.32Å; P649-L762 HydrophobicContact CB-CB 4.02Å; P649-L762 HydrophobicContact CG-CB 4.2Å; P649-L762 HydrophobicContact CG-CD2 4.08Å; D755-L762 HydrophobicContact CB-CD1 4.01Å; D755-L762 HydrophobicContact CB-CD2 4.4Å
763	L	88.8	Confident	82.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.7	168.4	-76.5	158	0	0	0	108.8	L715 I756 L758 L775 R776 L781 I785	L715-L763 HydrophobicContact CD2-CD2 3.86Å; I756-L763 HydrophobicContact CB-CB 4.05Å; I756-L763 WeakPolarHBondContact CB-O 3.15Å; I756-L763 HydrophobicContact CD1-CB 4.49Å; I756-L763 PolarHBondContact N-O 3.29Å; I756-L763 PolarHBondContact O-N 3.25Å; L758-L763 HydrophobicContact CB-CD1 4.42Å; L758-L763 HydrophobicContact CD2-CD1 3.88Å; L763-L775 HydrophobicContact CB-CD1 4.15Å; L763-L775 HydrophobicContact CD2-CD1 4.15Å; L763-L775 HydrophobicContact CD2-CD2 4.38Å; L763-L775 HydrophobicContact CD2-CG 4.21Å; L763-R776 CarbonylContact C-O 3.59Å; L763-R776 WeakPolarHBondContact CA-O 3.17Å; L763-L781 HydrophobicContact CD2-CD2 4.48Å; L763-I785 HydrophobicContact CD1-CD1 3.97Å; L763-I785 HydrophobicContact CD2-CD1 4.22Å
764	R	88.3	Confident	82.9	Confident	43 Å²	43	35 Å²	35	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.9	175.1	-177.3	160.2	-71.7	137.5	-0.4	110.4	D650 E753 D755 R776	D650-R764 IonicContact OD2-NH1 2.72Å; E753-R764 WeakPolarHBondContact OE1-CD 3.38Å; D755-R764 VanDerWaalsContact CG-NH2 3.29Å; D755-R764 IonicContact OD1-CZ 3.21Å; D755-R764 IonicContact OD1-NE 2.73Å; D755-R764 PolarHBondContact OD1-NE 3.46Å; D755-R764 IonicContact OD1-NH2 2.87Å; D755-R764 PolarHBondContact OD1-NH2 2.82Å; D755-R764 IonicContact OD2-NH2 2.83Å; D755-R764 PolarHBondContact OD2-NH2 3.05Å; D755-R764 VanDerWaalsContact OD2-NH2 3.11Å; R764-R776 PolarHBondContact N-O 2.79Å; R764-R776 PolarHBondContact O-N 2.88Å
765	Y	91.6	Very high	83.5	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135	-175.5	162.7	-102.7	0	0	0	110.6	L743 N744 M750 E753 S754 G767 S768 E773 R774	L743-Y765 HydrophobicContact CD1-CD1 3.73Å; L743-Y765 HydrophobicContact CD1-CD2 4.43Å; L743-Y765 HydrophobicContact CD1-CE1 3.65Å; L743-Y765 HydrophobicContact CD1-CE2 4.35Å; L743-Y765 HydrophobicContact CD1-CG 4.1Å; L743-Y765 HydrophobicContact CD2-CD1 4.19Å; L743-Y765 HydrophobicContact CD2-CD2 3.44Å; L743-Y765 VanDerWaalsContact CD2-CD2 3.44Å; L743-Y765 HydrophobicContact CD2-CE1 4.37Å; L743-Y765 HydrophobicContact CD2-CE2 3.65Å; L743-Y765 HydrophobicContact CD2-CG 3.7Å; N744-Y765 PolarHBondContact ND2-OH 2.92Å; M750-Y765 HydrophobicContact CB-CE1 3.82Å; M750-Y765 HydrophobicContact CG-CD1 4.27Å; M750-Y765 HydrophobicContact CG-CE1 3.91Å; M750-Y765 VanDerWaalsContact O-CE1 3.29Å; M750-Y765 WeakPolarHBondContact O-CE1 3.4Å; M750-Y765 PolarHBondContact O-OH 3.2Å; E753-Y765 CarbonylContact C-O 3.58Å; E753-Y765 VanDerWaalsContact CA-O 3.3Å; E753-Y765 WeakPolarHBondContact CA-O 3.44Å; E753-Y765 WeakPolarHBondContact CG-O 3.41Å; S754-Y765 PolarHBondContact N-O 3.16Å; S754-Y765 PolarHBondContact O-N 3.31Å; Y765-G767 VanDerWaalsContact C-N 3.32Å; Y765-G767 VanDerWaalsContact CE1-N 3.29Å; Y765-G767 PolarHBondContact O-N 3.23Å; Y765-S768 WeakPolarHBondContact OH-CA 3.46Å; Y765-S768 WeakPolarHBondContact OH-CB 3.5Å; Y765-S768 PolarHBondContact OH-N 3.15Å; Y765-E773 HydrophobicContact CE2-CG 3.62Å; Y765-E773 WeakPolarHBondContact CE2-OE1 3.2Å; Y765-E773 PolarHBondContact OH-OE1 3.08Å; Y765-E773 VanDerWaalsContact OH-OE1 3.05Å; Y765-R774 WeakPolarHBondContact CA-O 3.34Å
766	S	87.9	Confident	84	Confident	29 Å²	29	37.1 Å²	37.1	20%	0.203	21%	0.214	C	C	.	.			trans	-74.7	-9.7	-170.1	63	0	0	0	0	116.6	E753 E773 R774	E753-S766 PolarHBondContact N-O 2.94Å; S766-E773 WeakPolarHBondContact OG-CA 3.26Å; S766-R774 PolarHBondContact N-O 3.01Å; S766-R774 PolarHBondContact OG-N 3.37Å
767	G	87.3	Confident	84.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.			trans	85.2	147.2	-164.3	0	0	0	0	0	112.6	T751 M752 Y765 S769 A770	T751-G767 CarbonylContact O-C 3.55Å; T751-G767 WeakPolarHBondContact O-CA 3.46Å; M752-G767 VanDerWaalsContact C-CA 3.49Å; M752-G767 WeakPolarHBondContact O-CA 3.4Å; Y765-G767 VanDerWaalsContact C-N 3.32Å; Y765-G767 VanDerWaalsContact CE1-N 3.29Å; Y765-G767 PolarHBondContact O-N 3.23Å; G767-S769 VanDerWaalsContact C-N 3.26Å; G767-S769 PolarHBondContact O-N 2.9Å; G767-A770 WeakPolarHBondContact O-CB 3.4Å; G767-A770 PolarHBondContact O-N 2.88Å
768	S	85.7	Confident	84.5	Confident	15 Å²	15	37.6 Å²	37.6	11%	0.105	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.8	179.9	58.7	0	0	0	0	113.7	M750 T751 Y765 A770	M750-S768 PolarHBondContact O-N 2.85Å; M750-S768 PolarHBondContact O-OG 2.95Å; T751-S768 WeakPolarHBondContact CA-OG 3.23Å; T751-S768 PolarHBondContact O-N 2.95Å; Y765-S768 WeakPolarHBondContact OH-CA 3.46Å; Y765-S768 WeakPolarHBondContact OH-CB 3.5Å; Y765-S768 PolarHBondContact OH-N 3.15Å; S768-A770 VanDerWaalsContact C-N 3.28Å
769	S	80.6	Confident	84.6	Confident	87 Å²	87	39.3 Å²	39.3	61%	0.608	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-14	170.7	65.2	0	0	0	0	113.2	T751 G767	T751-S769 WeakPolarHBondContact O-CB 3.2Å; T751-S769 PolarHBondContact O-N 3.25Å; T751-S769 PolarHBondContact O-OG 3.09Å; G767-S769 VanDerWaalsContact C-N 3.26Å; G767-S769 PolarHBondContact O-N 2.9Å
770	A	78.3	Confident	85.2	Confident	29 Å²	29	37.3 Å²	37.3	24%	0.24	22%	0.221	C	C	.	.	S	Bend	trans	-71.4	137.4	-178.7	0	0	0	0	0	112	G767 S768 L772	G767-A770 WeakPolarHBondContact O-CB 3.4Å; G767-A770 PolarHBondContact O-N 2.88Å; S768-A770 VanDerWaalsContact C-N 3.28Å; A770-L772 PolarHBondContact O-N 3.2Å; A770-L772 VanDerWaalsContact O-N 3.07Å
771	S	77.3	Confident	86.4	Confident	104 Å²	104	35.9 Å²	35.9	73%	0.727	21%	0.206	S	C	*	.	S	Bend	trans	-67.3	-6.6	175.9	60.3	0	0	0	0	114.8
772	L	86.1	Confident	87	Confident	62 Å²	62	38 Å²	38	33%	0.325	22%	0.219	S	C	.	.	S	Bend	trans	-139.6	87.5	167	-178.7	83.8	0	0	0	107	K718 Q719 R720 A770 R774	K718-L772 HydrophobicContact CB-CD1 4.27Å; K718-L772 HydrophobicContact CD-CD2 4.41Å; K718-L772 HydrophobicContact CG-CD2 4.49Å; Q719-L772 WeakPolarHBondContact O-CD1 3.33Å; R720-L772 HydrophobicContact CB-CD1 3.86Å; R720-L772 HydrophobicContact CG-CD1 3.9Å; A770-L772 PolarHBondContact O-N 3.2Å; A770-L772 VanDerWaalsContact O-N 3.07Å; L772-R774 PolarHBondContact O-N 3.32Å
773	E	91.2	Very high	87.3	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.009	22%	0.22	C	C	.	.			trans	-65.3	120.7	176.8	-177.4	-166	-148.8	0	0	109.5	K718 Q719 Y731 L732 Y765 S766	K718-E773 CarbonylContact C-O 3.54Å; K718-E773 WeakPolarHBondContact CA-O 3.43Å; Q719-E773 HydrophobicContact CB-CB 4.19Å; Q719-E773 PolarHBondContact N-O 3.42Å; Y731-E773 WeakPolarHBondContact CA-OE2 3.02Å; L732-E773 HydrophobicContact CB-CG 4.43Å; L732-E773 HydrophobicContact CD1-CG 4.22Å; L732-E773 HydrophobicContact CG-CG 4.3Å; L732-E773 WeakPolarHBondContact CG-OE2 3.35Å; L732-E773 PolarHBondContact N-OE1 3.31Å; L732-E773 PolarHBondContact N-OE2 3.33Å; Y765-E773 HydrophobicContact CE2-CG 3.62Å; Y765-E773 WeakPolarHBondContact CE2-OE1 3.2Å; Y765-E773 PolarHBondContact OH-OE1 3.08Å; Y765-E773 VanDerWaalsContact OH-OE1 3.05Å; S766-E773 WeakPolarHBondContact OG-CA 3.26Å
774	R	93.4	Very high	87.5	Confident	70 Å²	70	39.6 Å²	39.6	26%	0.264	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	129.5	-165.7	-172.2	177.3	-171	-176.7	3.5	112.2	D716 V717 K718 Y765 S766 L772 R776	D716-R774 IonicContact OD1-CZ 2.64Å; D716-R774 IonicContact OD1-NE 3.32Å; D716-R774 PolarHBondContact OD1-NE 3.23Å; D716-R774 IonicContact OD1-NH2 3.17Å; D716-R774 PolarHBondContact OD1-NH2 3Å; D716-R774 IonicContact OD2-CZ 3.81Å; D716-R774 IonicContact OD2-NH2 3.58Å; D716-R774 PolarHBondContact OD2-NH2 2.66Å; V717-R774 VanDerWaalsContact O-CA 3.29Å; V717-R774 WeakPolarHBondContact O-CA 3.3Å; V717-R774 WeakPolarHBondContact O-CG 3.44Å; K718-R774 HydrophobicContact CG-CG 3.95Å; Y765-R774 WeakPolarHBondContact CA-O 3.34Å; S766-R774 PolarHBondContact N-O 3.01Å; S766-R774 PolarHBondContact OG-N 3.37Å; L772-R774 PolarHBondContact O-N 3.32Å; R774-R776 HydrophobicContact CG-CG 4.33Å
775	L	94.7	Very high	87.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.1	173.7	-179.3	74.2	0	0	0	109.7	L715 V717 L732 V734 L743 I756 L763 I787	L715-L775 HydrophobicContact CD2-CD2 4.41Å; V717-L775 HydrophobicContact CB-CB 4.24Å; V717-L775 HydrophobicContact CG2-CD2 4.49Å; V717-L775 PolarHBondContact N-O 2.88Å; V717-L775 PolarHBondContact O-N 3.17Å; L732-L775 HydrophobicContact CD1-CB 4.4Å; V734-L775 HydrophobicContact CG2-CD2 3.53Å; L743-L775 HydrophobicContact CD2-CD1 4.37Å; I756-L775 HydrophobicContact CD1-CD1 4.32Å; L763-L775 HydrophobicContact CB-CD1 4.15Å; L763-L775 HydrophobicContact CD2-CD1 4.15Å; L763-L775 HydrophobicContact CD2-CD2 4.38Å; L763-L775 HydrophobicContact CD2-CG 4.21Å; L775-I787 HydrophobicContact CD2-CD1 3.65Å
776	R	92.6	Very high	88	Confident	79 Å²	79	38 Å²	38	30%	0.298	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.9	177.3	-73.3	-177.7	-70.6	168.8	1.2	113.9	L715 L763 R764 R774	L715-R776 WeakPolarHBondContact O-CA 3.47Å; L763-R776 CarbonylContact C-O 3.59Å; L763-R776 WeakPolarHBondContact CA-O 3.17Å; R764-R776 PolarHBondContact N-O 2.79Å; R764-R776 PolarHBondContact O-N 2.88Å; R774-R776 HydrophobicContact CG-CG 4.33Å
777	S	89.5	Confident	88.4	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.1	157.8	176.5	0	0	0	0	109.2	H714 L715 A779	H714-S777 CarbonylContact C-O 3.53Å; H714-S777 VanDerWaalsContact CA-O 3.28Å; H714-S777 WeakPolarHBondContact CA-O 3.22Å; H714-S777 PolarHBondContact N-O 3.4Å; L715-S777 PolarHBondContact N-O 2.8Å; L715-S777 PolarHBondContact O-N 3.02Å; L715-S777 VanDerWaalsContact O-N 3.12Å; S777-A779 PolarHBondContact OG-O 2.89Å
778	F	83.9	Confident	88.8	Confident	88 Å²	88	37 Å²	37	39%	0.386	22%	0.215	S	C	.	.			trans	-102.4	-43.1	175.6	-62.5	-80.5	0	0	0	112	D650 H714	D650-F778 HydrophobicContact CB-CD2 3.66Å; D650-F778 HydrophobicContact CB-CE2 4.27Å; D650-F778 HydrophobicContact CB-CG 4.43Å; H714-F778 PolarHBondContact N-O 2.89Å
779	A	82.6	Confident	89.1	Confident	38 Å²	38	36.3 Å²	36.3	31%	0.314	21%	0.21	S	C	.	.	S	Bend	trans	-68.2	160	178.7	0	0	0	0	0	112.5	S777 L781	S777-A779 PolarHBondContact OG-O 2.89Å; A779-L781 PolarHBondContact O-N 2.93Å
780	P	87.9	Confident	89.7	Confident	65 Å²	65	32.3 Å²	32.3	42%	0.422	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-58.1	133.4	171.9	-21.8	32.6	0	0	0	111.2	A712 T713	A712-P780 WeakPolarHBondContact O-CA 3.49Å; T713-P780 HydrophobicContact CG2-CB 4.01Å; T713-P780 HydrophobicContact CG2-CG 3.69Å
781	L	89.6	Confident	90.2	Very high	3 Å²	3	31 Å²	31	2%	0.016	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-69.9	130.2	172.8	-63.5	179	0	0	0	110.4	I708 A710 G711 A712 L758 L763 A779 I785	I708-L781 HydrophobicContact CB-CD1 4.2Å; I708-L781 HydrophobicContact CG2-CD1 3.6Å; A710-L781 CarbonylContact C-O 3.57Å; A710-L781 WeakPolarHBondContact CA-O 3.17Å; G711-L781 PolarHBondContact N-O 3.38Å; A712-L781 HydrophobicContact CB-CD1 4.49Å; A712-L781 PolarHBondContact O-N 3.09Å; L758-L781 HydrophobicContact CD2-CD2 4.44Å; L763-L781 HydrophobicContact CD2-CD2 4.48Å; A779-L781 PolarHBondContact O-N 2.93Å; L781-I785 HydrophobicContact CD1-CD1 3.85Å; L781-I785 HydrophobicContact CD1-CG1 3.97Å; L781-I785 HydrophobicContact CD2-CD1 4.35Å
782	P	86.7	Confident	90.5	Very high	55 Å²	55	29.6 Å²	29.6	36%	0.357	16%	0.158	S	C	.	.	S	Bend	trans	-74.3	-41.7	179.9	26.7	-30.9	0	0	0	111.8	A710 L758 Q759 A761	A710-P782 WeakPolarHBondContact CB-O 3.41Å; L758-P782 HydrophobicContact CG-CG 4.31Å; L758-P782 WeakPolarHBondContact O-CG 3.38Å; Q759-P782 HydrophobicContact CB-CB 4.22Å; Q759-P782 HydrophobicContact CB-CG 3.8Å; A761-P782 HydrophobicContact CB-CG 4.23Å
783	E	89.8	Confident	90	Very high	32 Å²	32	28.6 Å²	28.6	15%	0.15	16%	0.163	C	C	.	.	S	Bend	trans	-118.4	152.5	175.2	62.9	176.5	-125.3	0	0	111.2	R736 L758 Q759	R736-E783 WeakPolarHBondContact CD-OE1 3.46Å; R736-E783 WeakPolarHBondContact CG-OE1 3.26Å; R736-E783 IonicContact CZ-OE1 2.69Å; R736-E783 IonicContact NE-OE1 3.12Å; R736-E783 IonicContact NH1-OE1 2.68Å; R736-E783 PolarHBondContact NH1-OE1 3.37Å; R736-E783 IonicContact NH1-OE2 3.95Å; R736-E783 PolarHBondContact NH1-OE2 3.37Å; L758-E783 HydrophobicContact CD1-CG 3.72Å; L758-E783 WeakPolarHBondContact CD1-OE1 3.43Å; L758-E783 HydrophobicContact CD2-CG 4.29Å; L758-E783 HydrophobicContact CG-CG 4.16Å; Q759-E783 PolarHBondContact NE2-OE2 3.14Å
784	P	92.7	Very high	88.7	Confident	26 Å²	26	37.7 Å²	37.7	17%	0.169	21%	0.205	C	C	.	.			trans	-71.6	138.1	176.1	30.6	-36.1	0	0	0	112	I708 Q737	I708-P784 CarbonylContact O-C 3.58Å; I708-P784 WeakPolarHBondContact O-CA 3.43Å; I708-P784 WeakPolarHBondContact O-CB 3.41Å; Q737-P784 HydrophobicContact CG-CG 3.92Å
785	I	95.3	Very high	87.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.4	-178.8	65.9	-176.9	0	0	0	111.4	I708 L715 V734 L742 L758 L763 L781 I787	I708-I785 HydrophobicContact CB-CG1 4.29Å; I708-I785 HydrophobicContact CD1-CD1 4.36Å; I708-I785 HydrophobicContact CD1-CG1 4.11Å; I708-I785 PolarHBondContact N-O 2.81Å; I708-I785 PolarHBondContact O-N 2.83Å; L715-I785 HydrophobicContact CD2-CD1 4.22Å; V734-I785 HydrophobicContact CG1-CB 4.02Å; V734-I785 HydrophobicContact CG1-CD1 4.11Å; V734-I785 HydrophobicContact CG1-CG1 4.4Å; L742-I785 HydrophobicContact CD1-CG2 4.05Å; L758-I785 HydrophobicContact CD2-CG2 3.69Å; L763-I785 HydrophobicContact CD1-CD1 3.97Å; L763-I785 HydrophobicContact CD2-CD1 4.22Å; L781-I785 HydrophobicContact CD1-CD1 3.85Å; L781-I785 HydrophobicContact CD1-CG1 3.97Å; L781-I785 HydrophobicContact CD2-CD1 4.35Å; I785-I787 HydrophobicContact CD1-CD1 4.38Å
786	T	96.1	Very high	85.8	Confident	10 Å²	10	38.9 Å²	38.9	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.4	174.1	-64.5	0	0	0	0	110	D704 T707 R735 Q788	D704-T786 HydrophobicContact CB-CG2 4.11Å; T707-T786 PolarHBondContact OG1-OG1 2.77Å; R735-T786 PolarHBondContact N-O 3.31Å; R735-T786 PolarHBondContact O-N 2.77Å; T786-Q788 HydrophobicContact CG2-CG 4.29Å
787	I	96.3	Very high	85	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.5	170	-53.7	-55.4	0	0	0	108.2	V705 V706 I708 V717 L732 V734 L775 I785	V705-I787 HydrophobicContact CB-CB 4.42Å; V705-I787 HydrophobicContact CB-CG2 4.21Å; V705-I787 WeakPolarHBondContact CB-O 3.34Å; V705-I787 HydrophobicContact CG2-CG2 4.41Å; V705-I787 PolarHBondContact N-O 3.05Å; V706-I787 HydrophobicContact CG1-CB 4.09Å; V706-I787 HydrophobicContact CG1-CG1 4.1Å; V706-I787 PolarHBondContact N-O 2.87Å; V706-I787 PolarHBondContact O-N 2.64Å; I708-I787 HydrophobicContact CD1-CD1 3.71Å; I708-I787 HydrophobicContact CD1-CG1 3.4Å; I708-I787 VanDerWaalsContact CD1-CG1 3.4Å; I708-I787 HydrophobicContact CG1-CG1 4.25Å; V717-I787 HydrophobicContact CG1-CG2 4.13Å; V717-I787 HydrophobicContact CG2-CD1 4.33Å; V717-I787 HydrophobicContact CG2-CG1 4.19Å; V717-I787 HydrophobicContact CG2-CG2 4.46Å; L732-I787 HydrophobicContact CD2-CG2 4.43Å; V734-I787 HydrophobicContact CG1-CD1 4.49Å; V734-I787 HydrophobicContact CG2-CD1 3.96Å; L775-I787 HydrophobicContact CD2-CD1 3.65Å; I785-I787 HydrophobicContact CD1-CD1 4.38Å
788	Q	94.8	Very high	84.7	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.1	174.7	-74	-179.7	-33	0	0	110.7	Y702 Q703 D704 A733 Y741 T786	Y702-Q788 HydrophobicContact CD1-CB 4.47Å; Q703-Q788 CarbonylContact O-C 3.57Å; Q703-Q788 WeakPolarHBondContact O-CA 3.25Å; D704-Q788 VanDerWaalsContact OD1-CG 3.25Å; D704-Q788 WeakPolarHBondContact OD1-CG 3.5Å; D704-Q788 PolarHBondContact OD1-NE2 3.4Å; A733-Q788 HydrophobicContact CB-CB 4.07Å; A733-Q788 PolarHBondContact N-O 3.45Å; A733-Q788 PolarHBondContact O-N 3.13Å; Y741-Q788 PolarHBondContact OH-OE1 3.44Å; T786-Q788 HydrophobicContact CG2-CG 4.29Å
789	V	92.8	Very high	84.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.2	160.8	65.5	0	0	0	0	108.9	L695 Y702 Q703 V705 Y731 P798 V800	L695-V789 HydrophobicContact CD2-CG1 3.89Å; Y702-V789 WeakPolarHBondContact CA-O 3.15Å; Q703-V789 HydrophobicContact CB-CG1 4.29Å; Q703-V789 PolarHBondContact N-O 3.29Å; Q703-V789 PolarHBondContact O-N 2.86Å; V705-V789 HydrophobicContact CG2-CB 4.14Å; V705-V789 HydrophobicContact CG2-CG1 4.12Å; Y731-V789 CarbonylContact O-C 3.33Å; Y731-V789 WeakPolarHBondContact O-CA 3.37Å; V789-P798 HydrophobicContact CG2-CB 4.12Å; V789-V800 HydrophobicContact CB-CG2 4.44Å; V789-V800 HydrophobicContact CG2-CG2 4.33Å
790	L	91.4	Very high	85.4	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.4	167.5	170.7	58.2	0	0	0	108.4	G701 Y702 S730 Y731 Y747 L749 V792	G701-L790 WeakPolarHBondContact O-CA 3.5Å; Y702-L790 HydrophobicContact CD1-CB 4.09Å; Y702-L790 HydrophobicContact CD2-CD1 4Å; Y702-L790 HydrophobicContact CE1-CB 3.9Å; Y702-L790 HydrophobicContact CE1-CD1 4.43Å; Y702-L790 HydrophobicContact CE1-CD2 4.36Å; Y702-L790 HydrophobicContact CE1-CG 4.45Å; Y702-L790 HydrophobicContact CE2-CD1 3.87Å; Y702-L790 HydrophobicContact CE2-CD2 4.42Å; Y702-L790 HydrophobicContact CG-CD1 4.34Å; S730-L790 CarbonylContact C-O 3.56Å; S730-L790 VanDerWaalsContact CA-O 3.31Å; S730-L790 WeakPolarHBondContact CA-O 3.04Å; Y731-L790 PolarHBondContact N-O 3.47Å; Y731-L790 PolarHBondContact O-N 2.94Å; Y747-L790 HydrophobicContact CD1-CD1 3.75Å; Y747-L790 HydrophobicContact CD1-CD2 4.23Å; Y747-L790 HydrophobicContact CE1-CD1 3.8Å; L749-L790 HydrophobicContact CD2-CD2 4.23Å; L790-V792 HydrophobicContact CD1-CG2 4.31Å; L790-V792 HydrophobicContact CG-CG2 4.21Å
791	S	89.4	Confident	85.7	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.7	-174.4	-78.6	0	0	0	0	111.1	S698 R699 P700 G701 N729	S698-S791 VanDerWaalsContact CB-OG 3.22Å; S698-S791 WeakPolarHBondContact CB-OG 3.33Å; S698-S791 PolarHBondContact OG-OG 2.64Å; R699-S791 WeakPolarHBondContact O-CB 3.22Å; P700-S791 CarbonylContact C-O 3.53Å; P700-S791 WeakPolarHBondContact CA-O 3.13Å; G701-S791 PolarHBondContact N-O 3.28Å; G701-S791 PolarHBondContact O-N 3.23Å; N729-S791 WeakPolarHBondContact O-CA 3.38Å
792	V	84.3	Confident	86	Confident	75 Å²	75	48.3 Å²	48.3	46%	0.455	25%	0.248	S	C	.	.			trans	-115.9	118.5	-174.7	-170.8	0	0	0	0	112.1	N729 L790	N729-V792 HydrophobicContact CB-CB 4.11Å; N729-V792 WeakPolarHBondContact CB-O 3.1Å; N729-V792 PolarHBondContact ND2-O 3.27Å; N729-V792 PolarHBondContact O-N 3.45Å; L790-V792 HydrophobicContact CD1-CG2 4.31Å; L790-V792 HydrophobicContact CG-CG2 4.21Å
793	G	74.3	Confident	86.5	Confident	41 Å²	41	47.1 Å²	47.1	42%	0.423	24%	0.241	S	C	.	.	S	Bend	trans	99.9	-169.9	-177.4	0	0	0	0	0	113.6	P700	P700-G793 WeakPolarHBondContact CG-O 3.04Å
794	E	65.4	Low	86.8	Confident	192 Å²	192	46.4 Å²	46.4	90%	0.897	24%	0.237	S	C	*	.	S	Bend	trans	-78.4	125.2	-168.9	-63.2	-167.8	148.1	0	0	113.8	P796	E794-P796 VanDerWaalsContact C-CD 3.44Å
795	A	59	Low	86.9	Confident	81 Å²	81	47 Å²	47	67%	0.669	24%	0.238	S	C	*	.	S	Bend	trans	41.2	51	169.7	0	0	0	0	0	116.4
796	P	67.4	Low	86.8	Confident	15 Å²	15	47.4 Å²	47.4	10%	0.097	24%	0.24	C	C	.	.			trans	-61.1	148.3	-179.4	24.2	-31.5	0	0	0	112	S698 E794 P798	S698-P796 PolarHBondContact N-O 3Å; E794-P796 VanDerWaalsContact C-CD 3.44Å; P796-P798 WeakPolarHBondContact O-CD 3.47Å
797	R	77.1	Confident	86.6	Confident	182 Å²	182	49.5 Å²	49.5	69%	0.687	25%	0.254	S	S	*	.			trans	-109.4	70.9	174.1	-62	-172.7	-170.4	-171.6	4.9	108.6
798	P	82.6	Confident	86.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.			trans	-54.9	147.8	174.2	27.2	-36.4	0	0	0	108.8	D696 V789 P796 V800	D696-P798 CarbonylContact C-O 3.56Å; D696-P798 VanDerWaalsContact CA-O 3.27Å; D696-P798 WeakPolarHBondContact CA-O 3.43Å; V789-P798 HydrophobicContact CG2-CB 4.12Å; P796-P798 WeakPolarHBondContact O-CD 3.47Å; P798-V800 HydrophobicContact CB-CG2 4.17Å
799	R	88.3	Confident	85.1	Confident	121 Å²	121	61.5 Å²	61.5	46%	0.457	31%	0.314	S	S	.	.			trans	-111.6	55.8	177.2	-64.4	177.5	170.7	-177.4	-4.3	110.6	R720	R720-R799 HydrophobicContact CB-CB 4.48Å; R720-R799 PolarHBondContact N-O 3.46Å; R720-R799 WeakPolarHBondContact O-CB 3.2Å; R720-R799 WeakPolarHBondContact O-CD 3.31Å
800	V	91.6	Very high	83.3	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.2	-177.3	-179.5	0	0	0	0	109.3	S694 L695 V705 V717 K718 Q719 L732 V789 P798	S694-V800 CarbonylContact C-O 3.56Å; S694-V800 WeakPolarHBondContact CA-O 3.43Å; S694-V800 VanDerWaalsContact CB-O 3.3Å; S694-V800 WeakPolarHBondContact CB-O 3.29Å; L695-V800 HydrophobicContact CB-CB 4.41Å; L695-V800 PolarHBondContact N-O 2.87Å; L695-V800 PolarHBondContact O-N 3.46Å; L695-V800 VanDerWaalsContact O-N 3.16Å; V705-V800 HydrophobicContact CG1-CG1 3.9Å; V717-V800 HydrophobicContact CG1-CG1 3.94Å; K718-V800 CarbonylContact O-C 3.54Å; K718-V800 VanDerWaalsContact O-CA 3.29Å; K718-V800 WeakPolarHBondContact O-CA 3.43Å; Q719-V800 HydrophobicContact CB-CG2 4.19Å; L732-V800 HydrophobicContact CD2-CG1 4.1Å; L732-V800 HydrophobicContact CD2-CG2 4.03Å; V789-V800 HydrophobicContact CB-CG2 4.44Å; V789-V800 HydrophobicContact CG2-CG2 4.33Å; P798-V800 HydrophobicContact CB-CG2 4.17Å
801	K	94.9	Very high	81.1	Confident	128 Å²	128	76 Å²	76	56%	0.557	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.3	169.7	-58.5	-161.8	175	-166.8	0	109.2	G693 K718	G693-K801 WeakPolarHBondContact O-CA 3.29Å; K718-K801 PolarHBondContact N-O 2.98Å; K718-K801 PolarHBondContact O-N 3.13Å
802	Y	96	Very high	78.7	Confident	43 Å²	43	81.1 Å²	81.1	17%	0.169	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.5	179.3	63.2	-94	0	0	0	111.7	S692 G693 V705 V706 D716 Y804	S692-Y802 WeakPolarHBondContact CA-O 3.13Å; S692-Y802 VanDerWaalsContact CB-O 3.29Å; S692-Y802 WeakPolarHBondContact CB-O 3.26Å; G693-Y802 PolarHBondContact N-O 3.12Å; G693-Y802 VanDerWaalsContact N-O 3.11Å; G693-Y802 PolarHBondContact O-N 3.22Å; V705-Y802 HydrophobicContact CG1-CD1 3.86Å; V705-Y802 HydrophobicContact CG1-CE1 3.98Å; V706-Y802 HydrophobicContact CB-CD1 4.46Å; V706-Y802 HydrophobicContact CB-CD2 4.44Å; V706-Y802 HydrophobicContact CB-CE1 4.08Å; V706-Y802 HydrophobicContact CB-CE2 4.04Å; V706-Y802 HydrophobicContact CG1-CD1 3.95Å; V706-Y802 HydrophobicContact CG1-CD2 3.91Å; V706-Y802 HydrophobicContact CG1-CE1 4.08Å; V706-Y802 HydrophobicContact CG1-CE2 4.03Å; V706-Y802 HydrophobicContact CG1-CG 3.86Å; V706-Y802 HydrophobicContact CG2-CD2 4.46Å; V706-Y802 HydrophobicContact CG2-CE2 3.88Å; D716-Y802 WeakPolarHBondContact O-CA 3.21Å; Y802-Y804 HydrophobicContact CD2-CD1 4.15Å; Y802-Y804 AromaticContact CD2-CE1 3.8Å; Y802-Y804 HydrophobicContact CD2-CE1 3.8Å; Y802-Y804 AromaticContact CE2-CE1 3.98Å; Y802-Y804 HydrophobicContact CE2-CE1 3.98Å
803	S	97.1	Very high	76.7	Confident	30 Å²	30	81.8 Å²	81.8	21%	0.21	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146.9	164.9	59	0	0	0	0	111.3	V691 D716	V691-S803 CarbonylContact O-C 3.53Å; V691-S803 VanDerWaalsContact O-CA 3.26Å; V691-S803 WeakPolarHBondContact O-CA 3.13Å; D716-S803 PolarHBondContact N-O 3.02Å; D716-S803 PolarHBondContact O-N 3.21Å
804	Y	95.9	Very high	75.1	Confident	17 Å²	17	86 Å²	86	7%	0.067	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	169.1	173.2	54.8	-82.6	0	0	0	109.4	V691 V706 I708 A712 L715 Y802 A806	V691-Y804 HydrophobicContact CB-CD1 4.46Å; V691-Y804 HydrophobicContact CB-CD2 4.23Å; V691-Y804 HydrophobicContact CB-CE1 4.08Å; V691-Y804 HydrophobicContact CB-CE2 3.86Å; V691-Y804 HydrophobicContact CG1-CE1 3.95Å; V691-Y804 HydrophobicContact CG1-CE2 4.23Å; V691-Y804 HydrophobicContact CG2-CE2 4.1Å; V691-Y804 PolarHBondContact N-O 3.23Å; V691-Y804 PolarHBondContact O-N 2.94Å; V691-Y804 VanDerWaalsContact O-O 3.08Å; V706-Y804 HydrophobicContact CG2-CE1 4.02Å; V706-Y804 WeakPolarHBondContact CG2-OH 3.47Å; I708-Y804 HydrophobicContact CG1-CD1 4.23Å; I708-Y804 HydrophobicContact CG1-CE1 4.03Å; I708-Y804 HydrophobicContact CG2-CD1 4.47Å; I708-Y804 HydrophobicContact CG2-CD2 3.89Å; I708-Y804 HydrophobicContact CG2-CE2 4.01Å; I708-Y804 HydrophobicContact CG2-CG 4.12Å; A712-Y804 HydrophobicContact CB-CD2 4.01Å; L715-Y804 HydrophobicContact CD1-CD1 4.43Å; Y802-Y804 HydrophobicContact CD2-CD1 4.15Å; Y802-Y804 AromaticContact CD2-CE1 3.8Å; Y802-Y804 HydrophobicContact CD2-CE1 3.8Å; Y802-Y804 AromaticContact CE2-CE1 3.98Å; Y802-Y804 HydrophobicContact CE2-CE1 3.98Å; Y804-A806 HydrophobicContact CD2-CB 4.24Å; Y804-A806 HydrophobicContact CE2-CB 4Å
805	F	95.3	Very high	73.6	Confident	40 Å²	40	81.8 Å²	81.8	18%	0.175	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.9	166	-66	-94.9	0	0	0	109.2	K677 C688 K689 K690 A712 T713 H714	K677-F805 HydrophobicContact CB-CD1 4.39Å; K677-F805 HydrophobicContact CB-CE1 4.04Å; K677-F805 HydrophobicContact CB-CE2 4.17Å; K677-F805 HydrophobicContact CB-CZ 3.92Å; K677-F805 HydrophobicContact CD-CD1 4.39Å; K677-F805 HydrophobicContact CD-CE1 3.78Å; K677-F805 HydrophobicContact CD-CZ 4.26Å; K677-F805 HydrophobicContact CG-CD1 4.14Å; K677-F805 HydrophobicContact CG-CE1 3.91Å; K677-F805 HydrophobicContact CG-CZ 4.31Å; K677-F805 WeakPolarHBondContact O-CB 3.22Å; K677-F805 VanDerWaalsContact O-CD2 3.28Å; K677-F805 WeakPolarHBondContact O-CD2 3.25Å; K677-F805 VanDerWaalsContact O-CG 3.28Å; K677-F805 WeakPolarHBondContact O-CG 3.46Å; C688-F805 HydrophobicContact CB-CB 4.16Å; K689-F805 CarbonylContact O-C 3.5Å; K689-F805 WeakPolarHBondContact O-CA 3.46Å; K690-F805 HydrophobicContact CB-CD1 3.89Å; K690-F805 HydrophobicContact CB-CE1 3.67Å; K690-F805 HydrophobicContact CB-CZ 4.35Å; K690-F805 HydrophobicContact CD-CE1 4.39Å; K690-F805 HydrophobicContact CD-CZ 4.3Å; K690-F805 HydrophobicContact CG-CD1 4.47Å; K690-F805 HydrophobicContact CG-CE1 4.1Å; K690-F805 HydrophobicContact CG-CZ 4.29Å; A712-F805 CarbonylContact C-O 3.47Å; A712-F805 WeakPolarHBondContact CA-O 3.38Å; A712-F805 WeakPolarHBondContact CB-O 3.35Å; T713-F805 PolarHBondContact N-O 3.21Å; T713-F805 PolarHBondContact O-N 2.9Å; H714-F805 HydrophobicContact CB-CD2 3.98Å; H714-F805 HydrophobicContact CB-CE2 4.23Å
806	A	93.5	Very high	72.5	Confident	7 Å²	7	83.3 Å²	83.3	6%	0.058	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.5	176.3	0	0	0	0	0	110.2	C688 K689 V691 P709 Y804	C688-A806 CarbonylContact C-O 3.55Å; C688-A806 WeakPolarHBondContact CA-O 3.26Å; C688-A806 VanDerWaalsContact CB-O 3.23Å; C688-A806 WeakPolarHBondContact CB-O 3.3Å; K689-A806 HydrophobicContact CG-CB 4.42Å; K689-A806 PolarHBondContact N-O 3.44Å; K689-A806 PolarHBondContact O-N 3.44Å; V691-A806 HydrophobicContact CG2-CB 3.9Å; P709-A806 HydrophobicContact CG-CB 4.21Å; Y804-A806 HydrophobicContact CD2-CB 4.24Å; Y804-A806 HydrophobicContact CE2-CB 4Å
807	P	91.9	Very high	70.8	Confident	55 Å²	55	87.8 Å²	87.8	36%	0.357	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	148	169.8	-25.4	34.6	0	0	0	112.1	G711	G711-P807 WeakPolarHBondContact O-CG 3.46Å
808	R	87.6	Confident	68.7	Low	145 Å²	145	86 Å²	86	55%	0.547	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-78.7	134.1	165.8	-67.7	-178.4	-176.7	-126.7	3.5	108.9	S686 S687 C688 N810	S686-R808 WeakPolarHBondContact O-CD 3.28Å; S686-R808 PolarHBondContact O-NE 3Å; S687-R808 WeakPolarHBondContact O-CB 3.45Å; S687-R808 PolarHBondContact O-N 3.16Å; C688-R808 PolarHBondContact O-NE 2.89Å; R808-N810 PolarHBondContact O-N 3.23Å
809	P	70.7	Confident	66.5	Low	114 Å²	114	91.6 Å²	91.6	74%	0.74	55%	0.549	S	S	*	.			trans	-69	113.5	169.9	28.3	-32.2	0	0	0	109.1	N811	P809-N811 PolarHBondContact O-N 3.1Å
810	N	56.6	Low	63.7	Low	151 Å²	151	89.7 Å²	89.7	81%	0.807	57%	0.567	S	S	*	*			trans	-74	90.3	171.5	-78.9	-9.4	0	0	0	109.5	R808	R808-N810 PolarHBondContact O-N 3.23Å
811	N	44.2	Very low	60.9	Low	159 Å²	159	93.6 Å²	93.6	85%	0.85	61%	0.607	S	S	*	*			trans	-162.6	91	158.1	-98.8	-25.8	0	0	0	110.6	P809	P809-N811 PolarHBondContact O-N 3.1Å
812	A	40	Very low	58	Low	108 Å²	108	98.6 Å²	98.6	89%	0.893	62%	0.623	S	S	*	*			trans	-148.7	28.2	168.9	0	0	0	0	0	111.9
813	A	42.6	Very low	55.2	Low	89 Å²	89	108 Å²	108	74%	0.736	66%	0.658	S	S	*	*	S	Bend	trans	-97.7	133.1	162.4	0	0	0	0	0	107.8
814	S	39.4	Very low	53	Low	129 Å²	129	112.6 Å²	112.6	90%	0.902	69%	0.687	S	S	*	*			trans	65.4	82.4	-175.4	-158.7	0	0	0	0	116.5
815	A	33.6	Very low	49.9	Very low	103 Å²	103	116.9 Å²	116.9	85%	0.851	72%	0.719	S	S	*	*			trans	-149	102.3	148	0	0	0	0	0	108.6
816	S	35.8	Very low	47.4	Very low	114 Å²	114	122.4 Å²	122.4	80%	0.797	75%	0.749	S	S	*	*			trans	-91.8	131.7	-178.6	176.7	0	0	0	0	111.5
817	S	33	Very low	44.5	Very low	109 Å²	109	129.6 Å²	129.6	76%	0.762	79%	0.787	S	S	*	*			trans	-172.5	118.8	142.8	21.7	0	0	0	0	114.4
818	N	32.4	Very low	41.7	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	81%	0.81	S	S	*	*			trans	20.7	112.3	137.3	-60.1	-5.6	0	0	0	120.6
819	S	35.6	Very low	39.2	Very low	118 Å²	118	132.8 Å²	132.8	83%	0.825	82%	0.824	S	S	*	*				27.2	129.4	125.1	62.8	0	0	0	0	121.3
820	G	30.5	Very low	37.3	Very low	82 Å²	82	137.6 Å²	137.6	85%	0.845	83%	0.827	S	S	*	*			trans	172.3	43.1	158.5	0	0	0	0	0	122.9
821	G	32.5	Very low	36.7	Very low	81 Å²	81	139.7 Å²	139.7	84%	0.835	83%	0.832	S	S	*	*			trans	75	-179	167.7	0	0	0	0	0	116.7
822	R	34.2	Very low	36.5	Very low	234 Å²	234	141 Å²	141	88%	0.883	83%	0.831	S	S	*	*			cis	-156.5	113.9	0.7	-153.3	-176.4	-161.8	-173.4	6.1	112.8
823	R	35.9	Very low	37.3	Very low	240 Å²	240	139.5 Å²	139.5	91%	0.906	83%	0.826	S	S	*	*			trans	61.3	152.8	161	-71.4	-174.9	173.3	179.8	-2.8	120.1
824	P	50.9	Low	38.2	Very low	126 Å²	126	137 Å²	137	82%	0.818	81%	0.809	S	S	*	*			trans	-104.4	166.4	-179	40.9	-35.7	0	0	0	114.2
825	S	32	Very low	39.5	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	77%	0.771	S	S	*	*			trans	-151.2	114.9	156.8	60.1	0	0	0	0	113.6
826	I	42.1	Very low	41.6	Very low	157 Å²	157	133.8 Å²	133.8	81%	0.805	77%	0.765	S	S	*	*			trans	49.3	90.7	137.1	-49.4	172.9	0	0	0	116.4
827	N	33.3	Very low	43.7	Very low	158 Å²	158	130.3 Å²	130.3	85%	0.845	73%	0.734	S	S	*	*				-161.1	63.8	127.7	-100.8	-24.1	0	0	0	109.9
828	A	33	Very low	45.9	Very low	103 Å²	103	127.7 Å²	127.7	85%	0.851	71%	0.713	S	S	*	*			trans	-86.3	105.6	170.6	0	0	0	0	0	109.1
829	I	34.4	Very low	48	Very low	164 Å²	164	124.8 Å²	124.8	84%	0.841	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-95	135.2	163.2	-61.3	-178.8	0	0	0	107.1
830	R	31.8	Very low	50.1	Low	214 Å²	214	126 Å²	126	81%	0.808	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-56	141.9	-158.4	-63	155.1	73.2	172.3	4.5	113.4	F832	R830-F832 PolarHBondContact O-N 3.34Å
831	E	43.7	Very low	52.2	Low	196 Å²	196	130.6 Å²	130.6	92%	0.916	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-55	132.7	154.7	-67.9	175.7	116.2	0	0	109
832	F	40.3	Very low	54.5	Low	185 Å²	185	130.1 Å²	130.1	81%	0.811	66%	0.656	S	S	*	*			trans	-115.2	94.2	170.7	-137.5	-79.8	0	0	0	107.9	R830 G834	R830-F832 PolarHBondContact O-N 3.34Å; F832-G834 PolarHBondContact O-N 3.28Å
833	G	56.4	Low	56.6	Low	77 Å²	77	120.4 Å²	120.4	79%	0.794	63%	0.629	S	S	*	*			trans	-69.4	108	168.3	0	0	0	0	0	108.9
834	G	61.2	Low	58.4	Low	37 Å²	37	114.8 Å²	114.8	38%	0.381	62%	0.624	S	S	.	*			trans	-162.7	162.8	-177.4	0	0	0	0	0	110.6	F832	F832-G834 PolarHBondContact O-N 3.28Å
835	A	66.7	Low	59.8	Low	13 Å²	13	110.9 Å²	110.9	11%	0.107	60%	0.599	C	S	.	*			trans	-79	156.7	-171.9	0	0	0	0	0	113.8	C860 L861 S868 D870 C871	A835-C860 VanDerWaalsContact CB-SG 3.51Å; A835-L861 CarbonylContact C-O 3.45Å; A835-L861 VanDerWaalsContact CA-O 3.24Å; A835-L861 WeakPolarHBondContact CA-O 3.34Å; A835-L861 WeakPolarHBondContact CB-O 3.37Å; A835-S868 VanDerWaalsContact CB-OG 3.24Å; A835-S868 WeakPolarHBondContact CB-OG 3.15Å; A835-D870 HydrophobicContact CB-CB 4.35Å; A835-C871 WeakPolarHBondContact CB-SG 3.16Å; A835-C871 PolarHBondContact O-SG 2.84Å; A835-C871 VanDerWaalsContact O-SG 3.36Å
836	E	76.8	Confident	62.1	Low	152 Å²	152	109.7 Å²	109.7	71%	0.71	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.3	142.3	-178.9	-171.7	175.6	-169.6	0	0	113.1	T838 L861 C871	E836-T838 PolarHBondContact O-N 2.84Å; E836-L861 PolarHBondContact N-O 3.2Å; E836-L861 PolarHBondContact O-N 2.61Å; E836-C871 PolarHBondContact N-SG 2.04Å; E836-C871 VanDerWaalsContact N-SG 3.43Å
837	W	81.9	Confident	63.5	Low	41 Å²	41	107.3 Å²	107.3	16%	0.155	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.9	108.3	175.1	-73.8	117	0	0	0	112.1	V858 C860 C871 P872 E873 R876 P877	W837-V858 HydrophobicContact CE3-CG1 3.96Å; W837-C860 HydrophobicContact CD2-CB 4.32Å; W837-C860 HydrophobicContact CE3-CB 3.78Å; W837-C860 HydrophobicContact CH2-CB 4.04Å; W837-C860 HydrophobicContact CZ3-CB 3.64Å; W837-C871 HydrophobicContact CD2-CB 3.86Å; W837-C871 VanDerWaalsContact CE2-CB 3.44Å; W837-C871 HydrophobicContact CG-CB 4.07Å; W837-C871 HydrophobicContact CZ2-CB 3.85Å; W837-P872 PolarHBondContact NE1-O 3.11Å; W837-E873 WeakPolarHBondContact CH2-OE1 3.36Å; W837-E873 HydrophobicContact CZ2-CG 4.29Å; W837-E873 WeakPolarHBondContact CZ2-OE1 3.23Å; W837-R876 HydrophobicContact CD2-CB 4.31Å; W837-R876 HydrophobicContact CD2-CG 4.1Å; W837-R876 HydrophobicContact CE3-CG 4.21Å; W837-R876 HydrophobicContact CH2-CG 4.04Å; W837-R876 HydrophobicContact CZ2-CB 3.95Å; W837-R876 HydrophobicContact CZ2-CG 3.9Å; W837-R876 HydrophobicContact CZ3-CG 4.17Å; W837-P877 HydrophobicContact CB-CG 4.42Å
838	T	79.1	Confident	65.2	Low	54 Å²	54	106.4 Å²	106.4	33%	0.331	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.5	141.4	177.6	-44.1	0	0	0	0	111.6	E836 V859 L861	E836-T838 PolarHBondContact O-N 2.84Å; T838-V859 PolarHBondContact N-O 2.58Å; T838-V859 PolarHBondContact O-N 3.04Å; T838-L861 HydrophobicContact CG2-CD1 4.42Å; T838-L861 WeakPolarHBondContact OG1-CD1 3.39Å
839	L	75.7	Confident	67	Low	81 Å²	81	103.8 Å²	103.8	42%	0.424	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.1	135.7	-174.5	-74.8	171.2	0	0	0	112.5	V858 P877	L839-V858 HydrophobicContact CD2-CG1 4.27Å; L839-V858 HydrophobicContact CD2-CG2 3.78Å; L839-P877 HydrophobicContact CD1-CB 4.35Å; L839-P877 HydrophobicContact CD1-CG 4.24Å; L839-P877 HydrophobicContact CD2-CB 3.47Å; L839-P877 VanDerWaalsContact CD2-CB 3.47Å; L839-P877 HydrophobicContact CD2-CG 3.75Å; L839-P877 HydrophobicContact CG-CB 4.3Å; L839-P877 HydrophobicContact CG-CG 4.13Å
840	R	80.1	Confident	68.7	Low	143 Å²	143	98.9 Å²	98.9	54%	0.54	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	170.9	165.8	-58.4	-56.3	-170.5	-175.2	-2.5	112	R856 E857	R840-R856 WeakPolarHBondContact O-CD 3.47Å; R840-E857 HydrophobicContact CB-CB 4.05Å; R840-E857 HydrophobicContact CG-CB 3.86Å; R840-E857 HydrophobicContact CG-CG 4.38Å; R840-E857 WeakPolarHBondContact CG-OE2 3.38Å; R840-E857 PolarHBondContact N-O 2.93Å; R840-E857 IonicContact NE-OE2 3.55Å
841	E	75.1	Confident	70.7	Confident	179 Å²	179	89.9 Å²	89.9	84%	0.836	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	163.1	177.1	-61.3	-158.9	147.8	0	0	112.7	R856	E841-R856 WeakPolarHBondContact O-CB 3.5Å
842	W	78.9	Confident	72.2	Confident	71 Å²	71	81.2 Å²	81.2	27%	0.269	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.7	-179.4	-66.9	94.8	0	0	0	111.7	Q854 R856 V879 R881	W842-Q854 HydrophobicContact CE3-CB 4.2Å; W842-R856 HydrophobicContact CD2-CB 4Å; W842-R856 HydrophobicContact CD2-CG 3.95Å; W842-R856 HydrophobicContact CE3-CB 3.89Å; W842-R856 HydrophobicContact CE3-CG 3.83Å; W842-R856 HydrophobicContact CG-CB 4.37Å; W842-R856 HydrophobicContact CH2-CG 3.95Å; W842-R856 HydrophobicContact CZ2-CG 4.08Å; W842-R856 VanDerWaalsContact CZ2-CZ 3.45Å; W842-R856 HydrophobicContact CZ3-CB 4.33Å; W842-R856 HydrophobicContact CZ3-CG 3.82Å; W842-V879 WeakPolarHBondContact CZ3-O 3.26Å; W842-R881 HydrophobicContact CD2-CG 4.36Å; W842-R881 HydrophobicContact CE3-CG 3.93Å; W842-R881 HydrophobicContact CH2-CB 3.94Å; W842-R881 HydrophobicContact CH2-CG 3.97Å; W842-R881 HydrophobicContact CZ2-CG 4.37Å; W842-R881 HydrophobicContact CZ3-CB 4.05Å; W842-R881 HydrophobicContact CZ3-CG 3.73Å
843	G	78.4	Confident	74.1	Confident	30 Å²	30	77.4 Å²	77.4	31%	0.309	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-67.3	170.4	171.5	0	0	0	0	0	113.7	Q854 Q855	G843-Q854 WeakPolarHBondContact O-CG 3.37Å; G843-Q854 PolarHBondContact O-NE2 2.79Å; G843-Q855 PolarHBondContact N-O 2.64Å
844	P	74.7	Confident	75.1	Confident	123 Å²	123	75.1 Å²	75.1	80%	0.799	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-62.7	156.4	-179	27.2	-35.3	0	0	0	113.1
845	C	79.4	Confident	76.1	Confident	43 Å²	43	79.7 Å²	79.7	29%	0.291	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-78.2	143.7	177.7	-175.9	0	0	0	0	111.2	Q847 Q854 C883	C845-Q847 VanDerWaalsContact C-N 3.33Å; C845-Q847 PolarHBondContact O-N 3.21Å; C845-Q847 PolarHBondContact SG-O 3.38Å; C845-Q854 HydrophobicContact CB-CG 3.9Å; C845-C883 HydrophobicContact CB-CB 3.94Å; C845-C883 WeakPolarHBondContact CB-SG 3.22Å; C845-C883 WeakPolarHBondContact SG-CB 3.49Å; C845-C883 CovalentContact SG-SG 2.03Å; C845-C883 PolarHBondContact SG-SG 3.45Å
846	S	80.4	Confident	76.9	Confident	83 Å²	83	81.4 Å²	81.4	58%	0.58	45%	0.45	S	S	*	.	S	Bend	trans	-72.8	-15	-177.5	64.8	0	0	0	0	115.9	G852 L853	S846-G852 WeakPolarHBondContact OG-CA 3.41Å; S846-L853 PolarHBondContact N-O 2.79Å; S846-L853 VanDerWaalsContact N-O 3.11Å; S846-L853 PolarHBondContact OG-N 2.87Å
847	Q	71.8	Confident	77.1	Confident	106 Å²	106	79.7 Å²	79.7	50%	0.495	44%	0.441	S	S	.	.			trans	-147.9	171.8	179.1	-63.7	-167.4	14.6	0	0	110.8	C845 C849 G851 A884	C845-Q847 VanDerWaalsContact C-N 3.33Å; C845-Q847 PolarHBondContact O-N 3.21Å; C845-Q847 PolarHBondContact SG-O 3.38Å; Q847-C849 PolarHBondContact OE1-O 3.16Å; Q847-G851 PolarHBondContact OE1-O 3.1Å; Q847-G851 VanDerWaalsContact OE1-O 3.08Å; Q847-A884 WeakPolarHBondContact O-CB 3.38Å
848	T	68.4	Low	77.4	Confident	140 Å²	140	78.5 Å²	78.5	86%	0.859	44%	0.439	S	S	*	.	S	Bend	trans	-115.9	-41.9	-176.1	49.1	0	0	0	0	114.4
849	C	71.8	Confident	77.7	Confident	48 Å²	48	77.7 Å²	77.7	32%	0.324	43%	0.433	S	S	.	.	S	Bend	trans	-126	168.8	159	66.7	0	0	0	0	108.8	Q847 G851 A884 Q886 C888	Q847-C849 PolarHBondContact OE1-O 3.16Å; C849-G851 PolarHBondContact O-N 3.46Å; C849-A884 CarbonylContact C-O 3.57Å; C849-Q886 WeakPolarHBondContact CB-O 3.3Å; C849-C888 HydrophobicContact CB-CB 4.32Å; C849-C888 WeakPolarHBondContact CB-SG 3.37Å; C849-C888 WeakPolarHBondContact SG-CB 3.46Å; C849-C888 CovalentContact SG-SG 2.06Å; C849-C888 PolarHBondContact SG-SG 2.99Å
850	G	70.3	Confident	78.2	Confident	61 Å²	61	74.2 Å²	74.2	63%	0.629	42%	0.416	S	S	*	.	S	Bend	trans	89.1	-46	-178.1	0	0	0	0	0	115.3	A884 Q886	G850-A884 PolarHBondContact N-O 2.93Å; G850-Q886 PolarHBondContact N-O 3.36Å
851	G	74.3	Confident	78.3	Confident	25 Å²	25	69.5 Å²	69.5	26%	0.258	40%	0.401	S	S	.	.			trans	135.1	138.8	171.9	0	0	0	0	0	114.5	Q847 C849 A884	Q847-G851 PolarHBondContact OE1-O 3.1Å; Q847-G851 VanDerWaalsContact OE1-O 3.08Å; C849-G851 PolarHBondContact O-N 3.46Å; G851-A884 WeakPolarHBondContact CA-O 3.38Å; G851-A884 PolarHBondContact N-O 2.89Å; G851-A884 VanDerWaalsContact N-O 3.15Å
852	G	75	Confident	78.5	Confident	13 Å²	13	62.2 Å²	62.2	13%	0.134	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	-174.4	-176.7	0	0	0	0	0	114.6	S846 A882 C883	S846-G852 WeakPolarHBondContact OG-CA 3.41Å; G852-A882 CarbonylContact O-C 3.56Å; G852-A882 WeakPolarHBondContact O-CA 3.37Å; G852-C883 PolarHBondContact N-O 2.6Å; G852-C883 PolarHBondContact O-N 2.96Å; G852-C883 PolarHBondContact O-SG 2.96Å
853	L	79	Confident	78.2	Confident	105 Å²	105	63.4 Å²	63.4	55%	0.55	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156	-178.6	-72.7	162.8	0	0	0	112.3	S846 R881 A882 C883	S846-L853 PolarHBondContact N-O 2.79Å; S846-L853 VanDerWaalsContact N-O 3.11Å; S846-L853 PolarHBondContact OG-N 2.87Å; L853-R881 CarbonylContact C-O 3.52Å; L853-R881 WeakPolarHBondContact CA-O 3.35Å; L853-A882 HydrophobicContact CD2-CB 4.45Å; L853-C883 VanDerWaalsContact C-SG 3.51Å; L853-C883 PolarHBondContact N-SG 2.92Å; L853-C883 VanDerWaalsContact N-SG 3.4Å
854	Q	78.9	Confident	78.1	Confident	30 Å²	30	68.2 Å²	68.2	14%	0.14	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152	170.7	-72.5	-177.9	-61.7	0	0	110.2	W842 G843 C845 S880 R881 C883	W842-Q854 HydrophobicContact CE3-CB 4.2Å; G843-Q854 WeakPolarHBondContact O-CG 3.37Å; G843-Q854 PolarHBondContact O-NE2 2.79Å; C845-Q854 HydrophobicContact CB-CG 3.9Å; Q854-S880 CarbonylContact O-C 3.55Å; Q854-S880 WeakPolarHBondContact O-CA 3.46Å; Q854-R881 HydrophobicContact CB-CG 3.98Å; Q854-R881 PolarHBondContact N-O 3.27Å; Q854-R881 PolarHBondContact O-N 2.82Å; Q854-R881 VanDerWaalsContact OE1-CZ 3.26Å; Q854-C883 HydrophobicContact CG-CB 4.46Å
855	Q	82.2	Confident	77.9	Confident	132 Å²	132	64.9 Å²	64.9	62%	0.617	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	163.7	175.2	-62.8	-168	-0.8	0	0	112.3	G843 V879	G843-Q855 PolarHBondContact N-O 2.64Å; Q855-V879 CarbonylContact C-O 3.54Å; Q855-V879 VanDerWaalsContact CA-O 3.25Å; Q855-V879 WeakPolarHBondContact CA-O 3.25Å
856	R	81.7	Confident	78	Confident	50 Å²	50	70 Å²	70	19%	0.189	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.8	174.7	65.2	171.1	172.1	-177.3	-1.3	111.8	R840 E841 W842 L878 V879	R840-R856 WeakPolarHBondContact O-CD 3.47Å; E841-R856 WeakPolarHBondContact O-CB 3.5Å; W842-R856 HydrophobicContact CD2-CB 4Å; W842-R856 HydrophobicContact CD2-CG 3.95Å; W842-R856 HydrophobicContact CE3-CB 3.89Å; W842-R856 HydrophobicContact CE3-CG 3.83Å; W842-R856 HydrophobicContact CG-CB 4.37Å; W842-R856 HydrophobicContact CH2-CG 3.95Å; W842-R856 HydrophobicContact CZ2-CG 4.08Å; W842-R856 VanDerWaalsContact CZ2-CZ 3.45Å; W842-R856 HydrophobicContact CZ3-CB 4.33Å; W842-R856 HydrophobicContact CZ3-CG 3.82Å; R856-L878 PolarHBondContact NE-O 2.9Å; R856-L878 PolarHBondContact NH2-O 2.04Å; R856-V879 PolarHBondContact N-O 2.65Å; R856-V879 VanDerWaalsContact O-CG1 3.32Å; R856-V879 WeakPolarHBondContact O-CG1 3.39Å
857	E	81.9	Confident	78	Confident	116 Å²	116	71.6 Å²	71.6	54%	0.542	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	150	173.5	-171.5	-173.9	-127.9	0	0	112.7	R840 V859	R840-E857 HydrophobicContact CB-CB 4.05Å; R840-E857 HydrophobicContact CG-CB 3.86Å; R840-E857 HydrophobicContact CG-CG 4.38Å; R840-E857 WeakPolarHBondContact CG-OE2 3.38Å; R840-E857 PolarHBondContact N-O 2.93Å; R840-E857 IonicContact NE-OE2 3.55Å; E857-V859 HydrophobicContact CG-CG2 3.9Å
858	V	88.1	Confident	78.3	Confident	16 Å²	16	67.6 Å²	67.6	10%	0.097	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123.7	-177.9	-177.9	0	0	0	0	109.1	W837 L839 R876 P877 V879	W837-V858 HydrophobicContact CE3-CG1 3.96Å; L839-V858 HydrophobicContact CD2-CG1 4.27Å; L839-V858 HydrophobicContact CD2-CG2 3.78Å; V858-R876 HydrophobicContact CG1-CG 4.25Å; V858-P877 HydrophobicContact CG1-CB 4.43Å; V858-P877 HydrophobicContact CG1-CG 4.38Å; V858-V879 HydrophobicContact CG2-CG2 4.18Å
859	V	85.3	Confident	78.7	Confident	36 Å²	36	72.3 Å²	72.3	22%	0.218	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136	-169.2	-173.8	0	0	0	0	111.4	T838 E857 L861 T867	T838-V859 PolarHBondContact N-O 2.58Å; T838-V859 PolarHBondContact O-N 3.04Å; E857-V859 HydrophobicContact CG-CG2 3.9Å; V859-L861 HydrophobicContact CG1-CD2 3.99Å; V859-T867 HydrophobicContact CG1-CG2 3.85Å
860	C	86.1	Confident	79	Confident	8 Å²	8	76 Å²	76	5%	0.054	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.3	175.3	175.7	0	0	0	0	111.1	A835 W837 T867 S868 C871	A835-C860 VanDerWaalsContact CB-SG 3.51Å; W837-C860 HydrophobicContact CD2-CB 4.32Å; W837-C860 HydrophobicContact CE3-CB 3.78Å; W837-C860 HydrophobicContact CH2-CB 4.04Å; W837-C860 HydrophobicContact CZ3-CB 3.64Å; C860-T867 WeakPolarHBondContact O-CA 3.2Å; C860-S868 WeakPolarHBondContact CB-O 3.44Å; C860-S868 PolarHBondContact O-N 3.4Å; C860-S868 VanDerWaalsContact O-N 3.09Å; C860-S868 PolarHBondContact SG-O 3.45Å; C860-S868 VanDerWaalsContact SG-O 3.38Å; C860-C871 WeakPolarHBondContact CA-SG 3.26Å; C860-C871 HydrophobicContact CB-CB 3.83Å; C860-C871 WeakPolarHBondContact CB-SG 3.14Å; C860-C871 WeakPolarHBondContact SG-CB 3.32Å; C860-C871 PolarHBondContact SG-N 3.39Å; C860-C871 VanDerWaalsContact SG-N 3.42Å; C860-C871 CovalentContact SG-SG 2.02Å; C860-C871 PolarHBondContact SG-SG 3.29Å
861	L	83.1	Confident	79.5	Confident	44 Å²	44	73.4 Å²	73.4	23%	0.23	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137	-178.4	-61	-177.8	0	0	0	113	A835 E836 T838 V859 R866 T867	A835-L861 CarbonylContact C-O 3.45Å; A835-L861 VanDerWaalsContact CA-O 3.24Å; A835-L861 WeakPolarHBondContact CA-O 3.34Å; A835-L861 WeakPolarHBondContact CB-O 3.37Å; E836-L861 PolarHBondContact N-O 3.2Å; E836-L861 PolarHBondContact O-N 2.61Å; T838-L861 HydrophobicContact CG2-CD1 4.42Å; T838-L861 WeakPolarHBondContact OG1-CD1 3.39Å; V859-L861 HydrophobicContact CG1-CD2 3.99Å; L861-R866 CarbonylContact C-O 3.56Å; L861-R866 VanDerWaalsContact CA-O 3.3Å; L861-R866 WeakPolarHBondContact CA-O 3.06Å; L861-T867 HydrophobicContact CD2-CG2 4.06Å
862	D	79.1	Confident	79.6	Confident	26 Å²	26	75.3 Å²	75.3	14%	0.139	39%	0.389	C	S	.	.			trans	-72.6	168.6	173.5	78.7	2.5	0	0	0	112.5	Q864 G865 R866	D862-Q864 PolarHBondContact O-N 2.65Å; D862-Q864 VanDerWaalsContact OD1-CA 3.24Å; D862-Q864 WeakPolarHBondContact OD1-CA 3.06Å; D862-Q864 WeakPolarHBondContact OD1-CB 3.35Å; D862-Q864 PolarHBondContact OD1-N 3.17Å; D862-Q864 PolarHBondContact OD2-OE1 3.22Å; D862-G865 PolarHBondContact O-N 3.38Å; D862-G865 PolarHBondContact OD1-N 3.21Å; D862-R866 PolarHBondContact N-O 3.45Å; D862-R866 PolarHBondContact OD1-N 3.14Å; D862-R866 IonicContact OD1-NE 3.85Å; D862-R866 IonicContact OD2-CZ 2.83Å; D862-R866 IonicContact OD2-NE 3Å; D862-R866 PolarHBondContact OD2-NE 3.35Å; D862-R866 IonicContact OD2-NH2 3.79Å; D862-R866 PolarHBondContact OD2-NH2 2.91Å
863	P	72.4	Confident	79.6	Confident	96 Å²	96	80 Å²	80	62%	0.623	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-2.2	176.3	-23.7	35.4	0	0	0	115.4
864	Q	75.6	Confident	78.9	Confident	132 Å²	132	84 Å²	84	62%	0.617	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	7.2	172.1	-62.9	79.8	40.7	0	0	112.3	D862	D862-Q864 PolarHBondContact O-N 2.65Å; D862-Q864 VanDerWaalsContact OD1-CA 3.24Å; D862-Q864 WeakPolarHBondContact OD1-CA 3.06Å; D862-Q864 WeakPolarHBondContact OD1-CB 3.35Å; D862-Q864 PolarHBondContact OD1-N 3.17Å; D862-Q864 PolarHBondContact OD2-OE1 3.22Å
865	G	72.3	Confident	78.4	Confident	52 Å²	52	88.6 Å²	88.6	54%	0.536	45%	0.448	S	S	.	.	S	Bend	trans	80.4	13.4	176.3	0	0	0	0	0	115.6	D862	D862-G865 PolarHBondContact O-N 3.38Å; D862-G865 PolarHBondContact OD1-N 3.21Å
866	R	80.2	Confident	78.4	Confident	151 Å²	151	87.7 Å²	87.7	57%	0.57	44%	0.439	S	S	*	.			trans	-98.7	153.2	-178.3	-55.7	172.5	-62.7	-166.8	-0.9	111.4	L861 D862 S868	L861-R866 CarbonylContact C-O 3.56Å; L861-R866 VanDerWaalsContact CA-O 3.3Å; L861-R866 WeakPolarHBondContact CA-O 3.06Å; D862-R866 PolarHBondContact N-O 3.45Å; D862-R866 PolarHBondContact OD1-N 3.14Å; D862-R866 IonicContact OD1-NE 3.85Å; D862-R866 IonicContact OD2-CZ 2.83Å; D862-R866 IonicContact OD2-NE 3Å; D862-R866 PolarHBondContact OD2-NE 3.35Å; D862-R866 IonicContact OD2-NH2 3.79Å; D862-R866 PolarHBondContact OD2-NH2 2.91Å; R866-S868 PolarHBondContact O-N 3.02Å
867	T	81.4	Confident	78.2	Confident	117 Å²	117	86.9 Å²	86.9	72%	0.718	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-65.9	117	179.8	48.3	0	0	0	0	112.3	V859 C860 L861	V859-T867 HydrophobicContact CG1-CG2 3.85Å; C860-T867 WeakPolarHBondContact O-CA 3.2Å; L861-T867 HydrophobicContact CD2-CG2 4.06Å
868	S	78.2	Confident	77.7	Confident	22 Å²	22	87.8 Å²	87.8	15%	0.154	45%	0.448	C	S	.	.			trans	-112.3	171.7	178.8	156.4	0	0	0	0	110.9	A835 C860 R866 D870	A835-S868 VanDerWaalsContact CB-OG 3.24Å; A835-S868 WeakPolarHBondContact CB-OG 3.15Å; C860-S868 WeakPolarHBondContact CB-O 3.44Å; C860-S868 PolarHBondContact O-N 3.4Å; C860-S868 VanDerWaalsContact O-N 3.09Å; C860-S868 PolarHBondContact SG-O 3.45Å; C860-S868 VanDerWaalsContact SG-O 3.38Å; R866-S868 PolarHBondContact O-N 3.02Å; S868-D870 WeakPolarHBondContact OG-CB 3.37Å; S868-D870 VanDerWaalsContact OG-CG 3.24Å; S868-D870 PolarHBondContact OG-N 2.94Å; S868-D870 PolarHBondContact OG-OD2 2.88Å
869	R	76.4	Confident	77.3	Confident	239 Å²	239	90 Å²	90	90%	0.902	46%	0.462	S	S	*	.	S	Bend	trans	-117.5	7.6	170.7	-62.7	-176	179.5	-174.5	-0.3	112.8	C871	R869-C871 VanDerWaalsContact C-N 3.33Å
870	D	76.8	Confident	77	Confident	124 Å²	124	91.3 Å²	91.3	66%	0.663	47%	0.472	S	S	*	.			trans	-91	3.5	-169.9	-46.1	-58.9	0	0	0	112.8	A835 S868	A835-D870 HydrophobicContact CB-CB 4.35Å; S868-D870 WeakPolarHBondContact OG-CB 3.37Å; S868-D870 VanDerWaalsContact OG-CG 3.24Å; S868-D870 PolarHBondContact OG-N 2.94Å; S868-D870 PolarHBondContact OG-OD2 2.88Å
871	C	81.6	Confident	76.5	Confident	8 Å²	8	96.4 Å²	96.4	5%	0.054	49%	0.49	C	S	.	.	S	Bend	trans	-75.1	133.8	173	-57.7	0	0	0	0	110.9	A835 E836 W837 C860 R869 E873	A835-C871 WeakPolarHBondContact CB-SG 3.16Å; A835-C871 PolarHBondContact O-SG 2.84Å; A835-C871 VanDerWaalsContact O-SG 3.36Å; E836-C871 PolarHBondContact N-SG 2.04Å; E836-C871 VanDerWaalsContact N-SG 3.43Å; W837-C871 HydrophobicContact CD2-CB 3.86Å; W837-C871 VanDerWaalsContact CE2-CB 3.44Å; W837-C871 HydrophobicContact CG-CB 4.07Å; W837-C871 HydrophobicContact CZ2-CB 3.85Å; C860-C871 WeakPolarHBondContact CA-SG 3.26Å; C860-C871 HydrophobicContact CB-CB 3.83Å; C860-C871 WeakPolarHBondContact CB-SG 3.14Å; C860-C871 WeakPolarHBondContact SG-CB 3.32Å; C860-C871 PolarHBondContact SG-N 3.39Å; C860-C871 VanDerWaalsContact SG-N 3.42Å; C860-C871 CovalentContact SG-SG 2.02Å; C860-C871 PolarHBondContact SG-SG 3.29Å; R869-C871 VanDerWaalsContact C-N 3.33Å; C871-E873 PolarHBondContact O-N 2.79Å
872	P	77.3	Confident	76	Confident	64 Å²	64	98.1 Å²	98.1	42%	0.416	51%	0.51	S	S	.	.			trans	-61.8	117.3	174.6	-23.1	33.8	0	0	0	112	W837 E874 L875	W837-P872 PolarHBondContact NE1-O 3.11Å; P872-E874 PolarHBondContact O-N 2.91Å; P872-L875 HydrophobicContact CB-CD1 4.25Å; P872-L875 HydrophobicContact CB-CG 4.31Å; P872-L875 HydrophobicContact CG-CD1 4.3Å; P872-L875 PolarHBondContact O-N 3.35Å
873	E	74.6	Confident	75.9	Confident	112 Å²	112	98 Å²	98	52%	0.523	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-60.6	-28.1	178.1	-82.4	-77.1	160.4	0	0	112.4	W837 C871 L875 R876	W837-E873 WeakPolarHBondContact CH2-OE1 3.36Å; W837-E873 HydrophobicContact CZ2-CG 4.29Å; W837-E873 WeakPolarHBondContact CZ2-OE1 3.23Å; C871-E873 PolarHBondContact O-N 2.79Å; E873-L875 PolarHBondContact O-N 2.92Å; E873-L875 VanDerWaalsContact O-N 3.12Å; E873-R876 VanDerWaalsContact CD-NH1 3.3Å; E873-R876 WeakPolarHBondContact O-CB 3.46Å; E873-R876 PolarHBondContact O-N 3.39Å; E873-R876 IonicContact OE1-CZ 2.81Å; E873-R876 IonicContact OE1-NH1 2.72Å; E873-R876 PolarHBondContact OE1-NH1 3.47Å; E873-R876 WeakPolarHBondContact OE2-CD 3.2Å; E873-R876 IonicContact OE2-CZ 3.72Å; E873-R876 IonicContact OE2-NE 3.84Å; E873-R876 IonicContact OE2-NH1 2.78Å; E873-R876 PolarHBondContact OE2-NH1 3.06Å
874	E	63.5	Low	75.6	Confident	188 Å²	188	94.7 Å²	94.7	88%	0.879	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-56.8	-25	172.2	-66.6	143.4	-129.3	0	0	113.8	P872	P872-E874 PolarHBondContact O-N 2.91Å
875	L	69.8	Low	74.9	Confident	127 Å²	127	93.1 Å²	93.1	67%	0.665	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-99	2.5	178.3	-62.3	178	0	0	0	113	P872 E873 P877	P872-L875 HydrophobicContact CB-CD1 4.25Å; P872-L875 HydrophobicContact CB-CG 4.31Å; P872-L875 HydrophobicContact CG-CD1 4.3Å; P872-L875 PolarHBondContact O-N 3.35Å; E873-L875 PolarHBondContact O-N 2.92Å; E873-L875 VanDerWaalsContact O-N 3.12Å; L875-P877 VanDerWaalsContact O-CD 3.22Å; L875-P877 WeakPolarHBondContact O-CD 3.25Å
876	R	81.1	Confident	74.7	Confident	114 Å²	114	95.9 Å²	95.9	43%	0.43	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-66.9	119.3	-173.6	-172.9	172.5	179.4	175	0.5	111.7	W837 V858 E873	W837-R876 HydrophobicContact CD2-CB 4.31Å; W837-R876 HydrophobicContact CD2-CG 4.1Å; W837-R876 HydrophobicContact CE3-CG 4.21Å; W837-R876 HydrophobicContact CH2-CG 4.04Å; W837-R876 HydrophobicContact CZ2-CB 3.95Å; W837-R876 HydrophobicContact CZ2-CG 3.9Å; W837-R876 HydrophobicContact CZ3-CG 4.17Å; V858-R876 HydrophobicContact CG1-CG 4.25Å; E873-R876 VanDerWaalsContact CD-NH1 3.3Å; E873-R876 WeakPolarHBondContact O-CB 3.46Å; E873-R876 PolarHBondContact O-N 3.39Å; E873-R876 IonicContact OE1-CZ 2.81Å; E873-R876 IonicContact OE1-NH1 2.72Å; E873-R876 PolarHBondContact OE1-NH1 3.47Å; E873-R876 WeakPolarHBondContact OE2-CD 3.2Å; E873-R876 IonicContact OE2-CZ 3.72Å; E873-R876 IonicContact OE2-NE 3.84Å; E873-R876 IonicContact OE2-NH1 2.78Å; E873-R876 PolarHBondContact OE2-NH1 3.06Å
877	P	78.4	Confident	73.9	Confident	32 Å²	32	92.5 Å²	92.5	21%	0.208	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-66.2	150.7	-177.4	-27.1	36.7	0	0	0	115.3	W837 L839 V858 L875	W837-P877 HydrophobicContact CB-CG 4.42Å; L839-P877 HydrophobicContact CD1-CB 4.35Å; L839-P877 HydrophobicContact CD1-CG 4.24Å; L839-P877 HydrophobicContact CD2-CB 3.47Å; L839-P877 VanDerWaalsContact CD2-CB 3.47Å; L839-P877 HydrophobicContact CD2-CG 3.75Å; L839-P877 HydrophobicContact CG-CB 4.3Å; L839-P877 HydrophobicContact CG-CG 4.13Å; V858-P877 HydrophobicContact CG1-CB 4.43Å; V858-P877 HydrophobicContact CG1-CG 4.38Å; L875-P877 VanDerWaalsContact O-CD 3.22Å; L875-P877 WeakPolarHBondContact O-CD 3.25Å
878	L	71.7	Confident	73.8	Confident	136 Å²	136	90.2 Å²	90.2	71%	0.712	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-58.6	136.6	176.5	-72.3	163.5	0	0	0	113.5	R856	R856-L878 PolarHBondContact NE-O 2.9Å; R856-L878 PolarHBondContact NH2-O 2.04Å
879	V	78.9	Confident	74	Confident	63 Å²	63	91.4 Å²	91.4	38%	0.382	49%	0.487	S	S	.	.			trans	-95.4	-26	-172.4	-176.9	0	0	0	0	112.6	W842 Q855 R856 V858	W842-V879 WeakPolarHBondContact CZ3-O 3.26Å; Q855-V879 CarbonylContact C-O 3.54Å; Q855-V879 VanDerWaalsContact CA-O 3.25Å; Q855-V879 WeakPolarHBondContact CA-O 3.25Å; R856-V879 PolarHBondContact N-O 2.65Å; R856-V879 VanDerWaalsContact O-CG1 3.32Å; R856-V879 WeakPolarHBondContact O-CG1 3.39Å; V858-V879 HydrophobicContact CG2-CG2 4.18Å
880	S	78.1	Confident	73.9	Confident	62 Å²	62	83.8 Å²	83.8	43%	0.434	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.7	-177.4	60.2	0	0	0	0	112.6	Q854	Q854-S880 CarbonylContact O-C 3.55Å; Q854-S880 WeakPolarHBondContact O-CA 3.46Å
881	R	76.8	Confident	74.2	Confident	116 Å²	116	79.6 Å²	79.6	44%	0.438	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.7	172.7	73.2	179.7	-166.6	179	3.1	112.4	W842 L853 Q854	W842-R881 HydrophobicContact CD2-CG 4.36Å; W842-R881 HydrophobicContact CE3-CG 3.93Å; W842-R881 HydrophobicContact CH2-CB 3.94Å; W842-R881 HydrophobicContact CH2-CG 3.97Å; W842-R881 HydrophobicContact CZ2-CG 4.37Å; W842-R881 HydrophobicContact CZ3-CB 4.05Å; W842-R881 HydrophobicContact CZ3-CG 3.73Å; L853-R881 CarbonylContact C-O 3.52Å; L853-R881 WeakPolarHBondContact CA-O 3.35Å; Q854-R881 HydrophobicContact CB-CG 3.98Å; Q854-R881 PolarHBondContact N-O 3.27Å; Q854-R881 PolarHBondContact O-N 2.82Å; Q854-R881 VanDerWaalsContact OE1-CZ 3.26Å
882	A	72.9	Confident	74.1	Confident	79 Å²	79	83.8 Å²	83.8	65%	0.653	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	159.8	173.2	0	0	0	0	0	113.5	G852 L853	G852-A882 CarbonylContact O-C 3.56Å; G852-A882 WeakPolarHBondContact O-CA 3.37Å; L853-A882 HydrophobicContact CD2-CB 4.45Å
883	C	76.6	Confident	74.3	Confident	23 Å²	23	83.4 Å²	83.4	16%	0.155	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	175	-179.9	52	0	0	0	0	111.7	C845 G852 L853 Q854 S885	C845-C883 HydrophobicContact CB-CB 3.94Å; C845-C883 WeakPolarHBondContact CB-SG 3.22Å; C845-C883 WeakPolarHBondContact SG-CB 3.49Å; C845-C883 CovalentContact SG-SG 2.03Å; C845-C883 PolarHBondContact SG-SG 3.45Å; G852-C883 PolarHBondContact N-O 2.6Å; G852-C883 PolarHBondContact O-N 2.96Å; G852-C883 PolarHBondContact O-SG 2.96Å; L853-C883 VanDerWaalsContact C-SG 3.51Å; L853-C883 PolarHBondContact N-SG 2.92Å; L853-C883 VanDerWaalsContact N-SG 3.4Å; Q854-C883 HydrophobicContact CG-CB 4.46Å; C883-S885 VanDerWaalsContact C-N 3.3Å; C883-S885 PolarHBondContact O-N 2.98Å; C883-S885 VanDerWaalsContact O-N 3.1Å
884	A	65.6	Low	74.3	Confident	28 Å²	28	79 Å²	79	23%	0.231	45%	0.449	C	S	.	.			trans	57.5	22.3	168.3	0	0	0	0	0	118.3	Q847 C849 G850 G851 Q886	Q847-A884 WeakPolarHBondContact O-CB 3.38Å; C849-A884 CarbonylContact C-O 3.57Å; G850-A884 PolarHBondContact N-O 2.93Å; G851-A884 WeakPolarHBondContact CA-O 3.38Å; G851-A884 PolarHBondContact N-O 2.89Å; G851-A884 VanDerWaalsContact N-O 3.15Å; A884-Q886 PolarHBondContact O-N 2.68Å
885	S	61.2	Low	75.2	Confident	99 Å²	99	78.4 Å²	78.4	69%	0.692	45%	0.447	S	S	*	.			trans	-77.8	39.6	-171.3	65.8	0	0	0	0	115.9	C883	C883-S885 VanDerWaalsContact C-N 3.3Å; C883-S885 PolarHBondContact O-N 2.98Å; C883-S885 VanDerWaalsContact O-N 3.1Å
886	Q	66.8	Low	75.7	Confident	110 Å²	110	75.8 Å²	75.8	51%	0.514	43%	0.428	S	S	.	.			trans	-109	143.5	-178.8	-65.2	-70.3	37	0	0	111.7	C849 G850 A884	C849-Q886 WeakPolarHBondContact CB-O 3.3Å; G850-Q886 PolarHBondContact N-O 3.36Å; A884-Q886 PolarHBondContact O-N 2.68Å
887	P	65.4	Low	75.7	Confident	80 Å²	80	72.8 Å²	72.8	52%	0.519	42%	0.424	S	S	.	.			trans	-71.4	163.4	169.3	-8.1	21.9	0	0	0	112.8	H917	P887-H917 HydrophobicContact CB-CB 3.7Å; P887-H917 HydrophobicContact CG-CB 3.93Å; P887-H917 PolarHBondContact O-ND1 2.79Å
888	C	79.2	Confident	75.9	Confident	69 Å²	69	79.9 Å²	79.9	47%	0.466	46%	0.455	S	S	.	.			trans	-108	165.5	-172.6	-35.3	0	0	0	0	111.9	C849	C849-C888 HydrophobicContact CB-CB 4.32Å; C849-C888 WeakPolarHBondContact CB-SG 3.37Å; C849-C888 WeakPolarHBondContact SG-CB 3.46Å; C849-C888 CovalentContact SG-SG 2.06Å; C849-C888 PolarHBondContact SG-SG 2.99Å
889	P	81.4	Confident	76.5	Confident	46 Å²	46	75 Å²	75	30%	0.299	43%	0.432	S	S	.	.			trans	-85.7	169.5	-160.5	-18.5	37.3	0	0	0	118.6	I915 L922 N926	P889-I915 CarbonylContact C-O 3.51Å; P889-I915 WeakPolarHBondContact CA-O 3.35Å; P889-I915 WeakPolarHBondContact CB-O 3.22Å; P889-L922 HydrophobicContact CB-CD1 3.84Å; P889-L922 HydrophobicContact CG-CD1 3.44Å; P889-L922 VanDerWaalsContact CG-CD1 3.44Å; P889-N926 WeakPolarHBondContact CB-O 3.14Å; P889-N926 WeakPolarHBondContact CD-O 3.48Å; P889-N926 HydrophobicContact CG-CB 4.41Å; P889-N926 VanDerWaalsContact CG-O 3.29Å; P889-N926 WeakPolarHBondContact CG-O 3.26Å
890	S	74.8	Confident	76.7	Confident	80 Å²	80	74.9 Å²	74.9	56%	0.559	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.3	165.7	178	66.2	0	0	0	0	115.1	I915 C927	S890-I915 PolarHBondContact N-O 2.76Å; S890-I915 WeakPolarHBondContact O-CA 3.04Å; S890-I915 PolarHBondContact O-N 3.39Å; S890-C927 PolarHBondContact N-SG 3.49Å; S890-C927 VanDerWaalsContact N-SG 3.4Å; S890-C927 PolarHBondContact O-SG 2.88Å
891	W	82.5	Confident	76.5	Confident	36 Å²	36	77.6 Å²	77.6	14%	0.136	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	146.6	-171	-68.5	108.7	0	0	0	116.4	L912 C914 L924 C927 D928 R932	W891-L912 HydrophobicContact CE3-CD2 4.49Å; W891-C914 HydrophobicContact CE3-CB 4.05Å; W891-C914 HydrophobicContact CH2-CB 4.29Å; W891-C914 HydrophobicContact CZ3-CB 3.82Å; W891-L924 HydrophobicContact CH2-CB 3.77Å; W891-L924 HydrophobicContact CH2-CD2 3.85Å; W891-L924 HydrophobicContact CH2-CG 3.97Å; W891-L924 WeakPolarHBondContact CH2-O 3.01Å; W891-L924 WeakPolarHBondContact CZ2-O 3.38Å; W891-L924 HydrophobicContact CZ3-CB 4.19Å; W891-L924 HydrophobicContact CZ3-CD2 3.8Å; W891-L924 HydrophobicContact CZ3-CG 3.9Å; W891-C927 HydrophobicContact CD2-CB 3.81Å; W891-C927 HydrophobicContact CE3-CB 4.39Å; W891-C927 HydrophobicContact CG-CB 4.22Å; W891-C927 HydrophobicContact CH2-CB 4.23Å; W891-C927 HydrophobicContact CZ2-CB 3.64Å; W891-D928 PolarHBondContact NE1-O 2.86Å; W891-R932 HydrophobicContact CD2-CG 4.44Å; W891-R932 HydrophobicContact CZ2-CB 4.45Å; W891-R932 HydrophobicContact CZ2-CG 4.31Å
892	L	80.4	Confident	76.7	Confident	96 Å²	96	78.8 Å²	78.8	50%	0.503	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	132.4	170.6	-164.3	78.4	0	0	0	113.5	H913 I915	L892-H913 PolarHBondContact N-O 2.62Å; L892-H913 PolarHBondContact O-N 2.89Å; L892-I915 HydrophobicContact CB-CD1 3.5Å; L892-I915 VanDerWaalsContact CB-CD1 3.5Å; L892-I915 HydrophobicContact CB-CG1 4.11Å; L892-I915 HydrophobicContact CD2-CD1 3.56Å; L892-I915 HydrophobicContact CG-CD1 4.15Å
893	P	79.9	Confident	76.9	Confident	55 Å²	55	77.6 Å²	77.6	36%	0.357	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	142.4	175.9	32.5	-34.3	0	0	0	113.7	L912	P893-L912 HydrophobicContact CB-CD2 4.09Å
894	G	76.3	Confident	76.8	Confident	20 Å²	20	77.2 Å²	77.2	21%	0.206	44%	0.444	C	S	.	.			trans	-94.4	-170.8	177.5	0	0	0	0	0	115	R910 P911	G894-R910 WeakPolarHBondContact O-CD 3.35Å; G894-P911 PolarHBondContact N-O 3.43Å
895	Q	81.1	Confident	77.5	Confident	175 Å²	175	84.8 Å²	84.8	82%	0.818	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-78.5	154.2	-177.4	-63.7	-169.2	9	0	0	113.6	R910 P911	Q895-R910 WeakPolarHBondContact O-CA 3.2Å; Q895-R910 WeakPolarHBondContact O-CB 3.2Å; Q895-P911 VanDerWaalsContact O-CD 3.23Å; Q895-P911 WeakPolarHBondContact O-CD 3.48Å
896	W	81	Confident	78.3	Confident	73 Å²	73	80.3 Å²	80.3	28%	0.277	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-77.8	142.2	175.1	-66.9	108.1	0	0	0	112.3	R908 K909 R910 L936 E938	W896-R908 HydrophobicContact CB-CG 4.47Å; W896-R908 HydrophobicContact CD2-CG 4.45Å; W896-R908 HydrophobicContact CE3-CG 4.01Å; W896-R908 WeakPolarHBondContact CZ3-O 3.23Å; W896-K909 CarbonylContact C-O 3.52Å; W896-K909 VanDerWaalsContact CE3-C 3.48Å; W896-R910 HydrophobicContact CD2-CB 3.85Å; W896-R910 HydrophobicContact CD2-CG 3.93Å; W896-R910 HydrophobicContact CE3-CB 3.75Å; W896-R910 HydrophobicContact CE3-CG 3.81Å; W896-R910 HydrophobicContact CG-CB 4.27Å; W896-R910 HydrophobicContact CH2-CG 3.89Å; W896-R910 HydrophobicContact CZ2-CG 4.03Å; W896-R910 VanDerWaalsContact CZ2-NE 3.3Å; W896-R910 HydrophobicContact CZ3-CB 4.2Å; W896-R910 HydrophobicContact CZ3-CG 3.79Å; W896-L936 VanDerWaalsContact CZ3-C 3.48Å; W896-L936 VanDerWaalsContact CZ3-O 3.32Å; W896-L936 WeakPolarHBondContact CZ3-O 3.09Å; W896-E938 HydrophobicContact CE3-CB 4.33Å; W896-E938 HydrophobicContact CH2-CB 3.62Å; W896-E938 HydrophobicContact CZ2-CB 4.09Å; W896-E938 HydrophobicContact CZ3-CB 3.75Å
897	S	81.4	Confident	78.5	Confident	50 Å²	50	80.2 Å²	80.2	35%	0.35	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-67.1	170	169.9	72.8	0	0	0	0	112.5	R908 K909	S897-R908 VanDerWaalsContact O-CB 3.31Å; S897-R908 WeakPolarHBondContact O-CB 3.04Å; S897-R908 WeakPolarHBondContact OG-CA 3.37Å; S897-K909 WeakPolarHBondContact CB-O 3.39Å; S897-K909 PolarHBondContact N-O 3.26Å; S897-K909 PolarHBondContact OG-N 2.97Å; S897-K909 PolarHBondContact OG-O 2.97Å
898	E	81.3	Confident	78.9	Confident	181 Å²	181	80.8 Å²	80.8	85%	0.846	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-62.3	166.7	159.6	-58.5	-160.9	149.2	0	0	111.7
899	C	84.6	Confident	78.7	Confident	35 Å²	35	84.3 Å²	84.3	24%	0.236	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-79.9	135.5	-177.4	-162.3	0	0	0	0	111.3	K901 C940	C899-K901 PolarHBondContact O-N 3.02Å; C899-C940 WeakPolarHBondContact CA-SG 3.37Å; C899-C940 HydrophobicContact CB-CB 3.93Å; C899-C940 WeakPolarHBondContact CB-SG 3.48Å; C899-C940 WeakPolarHBondContact SG-CB 3.47Å; C899-C940 CovalentContact SG-SG 2.03Å; C899-C940 PolarHBondContact SG-SG 2.77Å
900	S	82.8	Confident	78.2	Confident	59 Å²	59	85.4 Å²	85.4	41%	0.413	43%	0.432	S	S	.	.	S	Bend	trans	-64.1	-6.9	-178	61.1	0	0	0	0	115.8	F907	S900-F907 WeakPolarHBondContact CB-O 3.49Å; S900-F907 PolarHBondContact N-O 3.3Å; S900-F907 VanDerWaalsContact OG-CD1 3.25Å; S900-F907 WeakPolarHBondContact OG-CD1 3.3Å; S900-F907 VanDerWaalsContact OG-CE1 3.31Å; S900-F907 WeakPolarHBondContact OG-CE1 3.14Å; S900-F907 WeakPolarHBondContact OG-CG 3.4Å; S900-F907 WeakPolarHBondContact OG-CZ 3.01Å; S900-F907 PolarHBondContact OG-N 3.15Å; S900-F907 PolarHBondContact OG-O 3.31Å
901	K	75.2	Confident	77.9	Confident	119 Å²	119	84.5 Å²	84.5	52%	0.517	42%	0.424	S	S	.	.			trans	-142.9	143.3	172	-61.2	-172.8	179.3	179.8	0	110.4	C899 C903 N941	C899-K901 PolarHBondContact O-N 3.02Å; K901-C903 WeakPolarHBondContact CB-O 3.39Å; K901-N941 PolarHBondContact O-ND2 2.89Å
902	T	79.8	Confident	77.6	Confident	141 Å²	141	83.3 Å²	83.3	87%	0.865	42%	0.42	S	S	*	.	S	Bend	trans	-78.1	-27.7	177.3	46.8	0	0	0	0	113.3
903	C	78.7	Confident	77.5	Confident	55 Å²	55	81.8 Å²	81.8	37%	0.372	41%	0.41	S	S	.	.	S	Bend	trans	-140	160.9	168.3	65.6	0	0	0	0	110.2	K901 C945	K901-C903 WeakPolarHBondContact CB-O 3.39Å; C903-C945 HydrophobicContact CB-CB 3.95Å; C903-C945 WeakPolarHBondContact CB-SG 3.05Å; C903-C945 PolarHBondContact O-SG 3.34Å; C903-C945 VanDerWaalsContact O-SG 3.41Å; C903-C945 WeakPolarHBondContact SG-CB 3.34Å; C903-C945 CovalentContact SG-SG 2.04Å; C903-C945 PolarHBondContact SG-SG 3.15Å
904	G	74.6	Confident	77.4	Confident	15 Å²	15	79.1 Å²	79.1	16%	0.155	39%	0.393	C	S	.	.	S	Bend	trans	71.3	159.8	-173.6	0	0	0	0	0	112.9	G906 N941 R943	G904-G906 PolarHBondContact O-N 3.13Å; G904-N941 CarbonylContact C-O 3.6Å; G904-R943 WeakPolarHBondContact CA-O 3.35Å; G904-R943 PolarHBondContact N-O 3.06Å; G904-R943 VanDerWaalsContact N-O 3.07Å
905	R	79.9	Confident	77.6	Confident	186 Å²	186	79.5 Å²	79.5	70%	0.702	39%	0.39	S	S	*	.	S	Bend	trans	-54.4	112	-174.8	-65.5	-178.5	-175.9	177	2.5	111.2	N941	R905-N941 PolarHBondContact N-O 2.6Å
906	G	77.6	Confident	77.1	Confident	5 Å²	5	71.6 Å²	71.6	5%	0.052	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-173.5	173.7	0	0	0	0	0	111.6	G904 C940	G904-G906 PolarHBondContact O-N 3.13Å; G906-C940 CarbonylContact C-O 3.56Å; G906-C940 PolarHBondContact N-O 2.96Å; G906-C940 PolarHBondContact O-N 3.46Å
907	F	71.4	Confident	76.2	Confident	109 Å²	109	72.5 Å²	72.5	48%	0.478	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.5	179.1	53.9	-96.8	0	0	0	111.4	S900 L937 E938 C940	S900-F907 WeakPolarHBondContact CB-O 3.49Å; S900-F907 PolarHBondContact N-O 3.3Å; S900-F907 VanDerWaalsContact OG-CD1 3.25Å; S900-F907 WeakPolarHBondContact OG-CD1 3.3Å; S900-F907 VanDerWaalsContact OG-CE1 3.31Å; S900-F907 WeakPolarHBondContact OG-CE1 3.14Å; S900-F907 WeakPolarHBondContact OG-CG 3.4Å; S900-F907 WeakPolarHBondContact OG-CZ 3.01Å; S900-F907 PolarHBondContact OG-N 3.15Å; S900-F907 PolarHBondContact OG-O 3.31Å; F907-L937 HydrophobicContact CB-CD1 4.22Å; F907-L937 HydrophobicContact CB-CG 4.44Å; F907-L937 HydrophobicContact CD2-CD1 3.88Å; F907-L937 HydrophobicContact CG-CD1 4.34Å; F907-E938 CarbonylContact C-O 3.44Å; F907-E938 VanDerWaalsContact CA-O 3.26Å; F907-E938 WeakPolarHBondContact CA-O 3.34Å; F907-C940 WeakPolarHBondContact CA-SG 3.24Å; F907-C940 PolarHBondContact N-SG 2.85Å; F907-C940 VanDerWaalsContact N-SG 3.43Å
908	R	72.4	Confident	75.3	Confident	92 Å²	92	74.1 Å²	74.1	35%	0.347	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.4	171.9	60.3	-176.6	-175.3	-170.7	-0.3	110.5	W896 S897 L937 E938	W896-R908 HydrophobicContact CB-CG 4.47Å; W896-R908 HydrophobicContact CD2-CG 4.45Å; W896-R908 HydrophobicContact CE3-CG 4.01Å; W896-R908 WeakPolarHBondContact CZ3-O 3.23Å; S897-R908 VanDerWaalsContact O-CB 3.31Å; S897-R908 WeakPolarHBondContact O-CB 3.04Å; S897-R908 WeakPolarHBondContact OG-CA 3.37Å; R908-L937 WeakPolarHBondContact O-CA 3.43Å; R908-E938 HydrophobicContact CG-CB 4.24Å; R908-E938 IonicContact CZ-OE2 2.75Å; R908-E938 PolarHBondContact N-O 2.97Å; R908-E938 IonicContact NE-OE2 3.1Å; R908-E938 PolarHBondContact NE-OE2 2.76Å; R908-E938 IonicContact NH2-OE1 3.12Å; R908-E938 IonicContact NH2-OE2 3.83Å; R908-E938 PolarHBondContact NH2-OE2 3.48Å; R908-E938 PolarHBondContact O-N 3.16Å
909	K	76.7	Confident	74.1	Confident	143 Å²	143	68 Å²	68	62%	0.622	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.5	-175.5	62	-176.6	178.3	-178.2	0	111.7	W896 S897 L936 L937	W896-K909 CarbonylContact C-O 3.52Å; W896-K909 VanDerWaalsContact CE3-C 3.48Å; S897-K909 WeakPolarHBondContact CB-O 3.39Å; S897-K909 PolarHBondContact N-O 3.26Å; S897-K909 PolarHBondContact OG-N 2.97Å; S897-K909 PolarHBondContact OG-O 2.97Å; K909-L936 CarbonylContact C-O 3.55Å; K909-L936 VanDerWaalsContact CA-O 3.25Å; K909-L936 WeakPolarHBondContact CA-O 3.1Å; K909-L937 HydrophobicContact CB-CD1 3.97Å
910	R	70.5	Confident	73.1	Confident	68 Å²	68	72.4 Å²	72.4	26%	0.257	37%	0.37	S	S	.	.			trans	-126.6	145	172.2	64.3	175.3	169.7	-176.8	-4.4	112	G894 Q895 W896 P935 L936	G894-R910 WeakPolarHBondContact O-CD 3.35Å; Q895-R910 WeakPolarHBondContact O-CA 3.2Å; Q895-R910 WeakPolarHBondContact O-CB 3.2Å; W896-R910 HydrophobicContact CD2-CB 3.85Å; W896-R910 HydrophobicContact CD2-CG 3.93Å; W896-R910 HydrophobicContact CE3-CB 3.75Å; W896-R910 HydrophobicContact CE3-CG 3.81Å; W896-R910 HydrophobicContact CG-CB 4.27Å; W896-R910 HydrophobicContact CH2-CG 3.89Å; W896-R910 HydrophobicContact CZ2-CG 4.03Å; W896-R910 VanDerWaalsContact CZ2-NE 3.3Å; W896-R910 HydrophobicContact CZ3-CB 4.2Å; W896-R910 HydrophobicContact CZ3-CG 3.79Å; R910-P935 PolarHBondContact NE-O 3.05Å; R910-P935 PolarHBondContact NH2-O 2.77Å; R910-L936 HydrophobicContact CG-CD2 4.28Å; R910-L936 PolarHBondContact N-O 3.02Å
911	P	68.7	Low	72.2	Confident	61 Å²	61	73.6 Å²	73.6	40%	0.396	38%	0.375	S	S	.	.			trans	-76	164.3	174.3	32.6	-33.2	0	0	0	111.9	G894 Q895 H913	G894-P911 PolarHBondContact N-O 3.43Å; Q895-P911 VanDerWaalsContact O-CD 3.23Å; Q895-P911 WeakPolarHBondContact O-CD 3.48Å; P911-H913 WeakPolarHBondContact CG-NE2 3.18Å
912	L	75.1	Confident	72.2	Confident	12 Å²	12	70.6 Å²	70.6	6%	0.063	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145	163.1	-102	170.6	0	0	0	108.3	W891 P893 R932 P933 L936	W891-L912 HydrophobicContact CE3-CD2 4.49Å; P893-L912 HydrophobicContact CB-CD2 4.09Å; L912-R932 HydrophobicContact CD1-CG 3.61Å; L912-P933 WeakPolarHBondContact CD1-O 3.44Å; L912-P933 HydrophobicContact CD2-CG 4.14Å; L912-L936 HydrophobicContact CD1-CD1 4.09Å; L912-L936 HydrophobicContact CD1-CD2 3.73Å; L912-L936 HydrophobicContact CD1-CG 4.41Å; L912-L936 HydrophobicContact CG-CD2 3.73Å
913	H	78.3	Confident	71.6	Confident	63 Å²	63	68.1 Å²	68.1	29%	0.292	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125	-179.3	-60.1	-59.7	0	0	0	108.5	L892 P911 I915 T921	L892-H913 PolarHBondContact N-O 2.62Å; L892-H913 PolarHBondContact O-N 2.89Å; P911-H913 WeakPolarHBondContact CG-NE2 3.18Å; H913-I915 HydrophobicContact CB-CD1 4.41Å; H913-I915 HydrophobicContact CB-CG1 4.17Å; H913-T921 HydrophobicContact CB-CG2 3.76Å
914	C	78.7	Confident	70.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	139	160.5	173.2	0	0	0	0	106.9	W891 T921 L922 T923 N926 C927	W891-C914 HydrophobicContact CE3-CB 4.05Å; W891-C914 HydrophobicContact CH2-CB 4.29Å; W891-C914 HydrophobicContact CZ3-CB 3.82Å; C914-T921 CarbonylContact O-C 3.55Å; C914-T921 VanDerWaalsContact O-CA 3.24Å; C914-T921 WeakPolarHBondContact O-CA 3.42Å; C914-L922 HydrophobicContact CB-CB 4.45Å; C914-L922 PolarHBondContact O-N 3.29Å; C914-T923 WeakPolarHBondContact CB-O 3.18Å; C914-N926 VanDerWaalsContact SG-C 3.54Å; C914-C927 WeakPolarHBondContact CA-SG 3Å; C914-C927 HydrophobicContact CB-CB 3.77Å; C914-C927 WeakPolarHBondContact CB-SG 3.32Å; C914-C927 WeakPolarHBondContact SG-CB 3.45Å; C914-C927 PolarHBondContact SG-N 3.02Å; C914-C927 CovalentContact SG-SG 2.03Å; C914-C927 PolarHBondContact SG-SG 2.04Å
915	I	80.1	Confident	70.1	Confident	28 Å²	28	75.1 Å²	75.1	14%	0.144	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.2	-174.1	-59.2	-164.8	0	0	0	110.1	P889 S890 L892 H913 G919 Q920	P889-I915 CarbonylContact C-O 3.51Å; P889-I915 WeakPolarHBondContact CA-O 3.35Å; P889-I915 WeakPolarHBondContact CB-O 3.22Å; S890-I915 PolarHBondContact N-O 2.76Å; S890-I915 WeakPolarHBondContact O-CA 3.04Å; S890-I915 PolarHBondContact O-N 3.39Å; L892-I915 HydrophobicContact CB-CD1 3.5Å; L892-I915 VanDerWaalsContact CB-CD1 3.5Å; L892-I915 HydrophobicContact CB-CG1 4.11Å; L892-I915 HydrophobicContact CD2-CD1 3.56Å; L892-I915 HydrophobicContact CG-CD1 4.15Å; H913-I915 HydrophobicContact CB-CD1 4.41Å; H913-I915 HydrophobicContact CB-CG1 4.17Å; I915-G919 VanDerWaalsContact CG2-C 3.48Å; I915-Q920 CarbonylContact C-O 3.47Å; I915-Q920 VanDerWaalsContact CA-O 3.32Å; I915-Q920 WeakPolarHBondContact CA-O 3.22Å
916	G	70.4	Confident	69.6	Low	9 Å²	9	70 Å²	70	9%	0.093	37%	0.366	C	S	.	.			trans	-69	168	176.2	0	0	0	0	0	113	D918 G919 Q920	G916-D918 PolarHBondContact O-N 2.03Å; G916-G919 PolarHBondContact O-N 3.35Å; G916-Q920 PolarHBondContact N-O 3Å
917	H	62.7	Low	69.5	Low	92 Å²	92	70.1 Å²	70.1	43%	0.426	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16	175.7	71.1	-99	0	0	0	113.7	P887	P887-H917 HydrophobicContact CB-CB 3.7Å; P887-H917 HydrophobicContact CG-CB 3.93Å; P887-H917 PolarHBondContact O-ND1 2.79Å
918	D	61.5	Low	69.6	Low	83 Å²	83	68.6 Å²	68.6	44%	0.444	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.8	178.1	65.7	-20.8	0	0	0	113	G916 Q920	G916-D918 PolarHBondContact O-N 2.03Å; D918-Q920 VanDerWaalsContact C-N 3.31Å; D918-Q920 PolarHBondContact OD1-N 2.85Å; D918-Q920 VanDerWaalsContact OD1-N 3.12Å; D918-Q920 WeakPolarHBondContact OD2-CG 3.35Å; D918-Q920 PolarHBondContact OD2-NE2 3.48Å
919	G	56.6	Low	69.3	Low	52 Å²	52	69.1 Å²	69.1	54%	0.536	38%	0.378	S	S	.	.	S	Bend	trans	81	2.1	-177	0	0	0	0	0	114.7	I915 G916	I915-G919 VanDerWaalsContact CG2-C 3.48Å; G916-G919 PolarHBondContact O-N 3.35Å
920	Q	63.1	Low	68.6	Low	128 Å²	128	70.9 Å²	70.9	60%	0.598	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-77.8	135.6	176.6	-73.2	-169.3	77.8	0	0	111.7	I915 G916 D918 L922	I915-Q920 CarbonylContact C-O 3.47Å; I915-Q920 VanDerWaalsContact CA-O 3.32Å; I915-Q920 WeakPolarHBondContact CA-O 3.22Å; G916-Q920 PolarHBondContact N-O 3Å; D918-Q920 VanDerWaalsContact C-N 3.31Å; D918-Q920 PolarHBondContact OD1-N 2.85Å; D918-Q920 VanDerWaalsContact OD1-N 3.12Å; D918-Q920 WeakPolarHBondContact OD2-CG 3.35Å; D918-Q920 PolarHBondContact OD2-NE2 3.48Å; Q920-L922 PolarHBondContact O-N 2.84Å
921	T	64.5	Low	68.3	Low	85 Å²	85	73.5 Å²	73.5	52%	0.521	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	116.1	171.6	-66.3	0	0	0	0	110.5	H913 C914	H913-T921 HydrophobicContact CB-CG2 3.76Å; C914-T921 CarbonylContact O-C 3.55Å; C914-T921 VanDerWaalsContact O-CA 3.24Å; C914-T921 WeakPolarHBondContact O-CA 3.42Å
922	L	74.4	Confident	68.7	Low	55 Å²	55	75.9 Å²	75.9	29%	0.288	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	169.6	176.1	-55.5	-178.8	0	0	0	111.3	P889 C914 Q920 N926	P889-L922 HydrophobicContact CB-CD1 3.84Å; P889-L922 HydrophobicContact CG-CD1 3.44Å; P889-L922 VanDerWaalsContact CG-CD1 3.44Å; C914-L922 HydrophobicContact CB-CB 4.45Å; C914-L922 PolarHBondContact O-N 3.29Å; Q920-L922 PolarHBondContact O-N 2.84Å; L922-N926 HydrophobicContact CB-CB 4.05Å; L922-N926 HydrophobicContact CD1-CB 4.04Å
923	T	67.6	Low	67.9	Low	89 Å²	89	77.8 Å²	77.8	55%	0.546	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-56.1	145	165.5	31.9	0	0	0	0	111.3	C914 D925 N926	C914-T923 WeakPolarHBondContact CB-O 3.18Å; T923-D925 PolarHBondContact O-N 2.97Å; T923-N926 WeakPolarHBondContact O-CB 3.09Å; T923-N926 PolarHBondContact O-N 3.44Å; T923-N926 VanDerWaalsContact O-N 3.1Å; T923-N926 VanDerWaalsContact OG1-CG 3.27Å; T923-N926 PolarHBondContact OG1-ND2 2.83Å; T923-N926 PolarHBondContact OG1-OD1 3.42Å
924	L	59.8	Low	66.6	Low	69 Å²	69	85.9 Å²	85.9	36%	0.361	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-57.1	-35.9	-172.9	-80.3	101.9	0	0	0	112.7	W891 N926 C927	W891-L924 HydrophobicContact CH2-CB 3.77Å; W891-L924 HydrophobicContact CH2-CD2 3.85Å; W891-L924 HydrophobicContact CH2-CG 3.97Å; W891-L924 WeakPolarHBondContact CH2-O 3.01Å; W891-L924 WeakPolarHBondContact CZ2-O 3.38Å; W891-L924 HydrophobicContact CZ3-CB 4.19Å; W891-L924 HydrophobicContact CZ3-CD2 3.8Å; W891-L924 HydrophobicContact CZ3-CG 3.9Å; L924-N926 PolarHBondContact O-N 2.88Å; L924-N926 VanDerWaalsContact O-N 3.14Å; L924-C927 PolarHBondContact O-N 2.85Å
925	D	62.3	Low	65.2	Low	149 Å²	149	89.9 Å²	89.9	80%	0.797	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-72.4	-4.2	-176.1	-39.1	-72.8	0	0	0	113.6	T923	T923-D925 PolarHBondContact O-N 2.97Å
926	N	69.7	Low	64.2	Low	79 Å²	79	91 Å²	91	42%	0.422	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-87.2	-5.7	177.7	-61.4	32.5	0	0	0	113	P889 C914 L922 T923 L924	P889-N926 WeakPolarHBondContact CB-O 3.14Å; P889-N926 WeakPolarHBondContact CD-O 3.48Å; P889-N926 HydrophobicContact CG-CB 4.41Å; P889-N926 VanDerWaalsContact CG-O 3.29Å; P889-N926 WeakPolarHBondContact CG-O 3.26Å; C914-N926 VanDerWaalsContact SG-C 3.54Å; L922-N926 HydrophobicContact CB-CB 4.05Å; L922-N926 HydrophobicContact CD1-CB 4.04Å; T923-N926 WeakPolarHBondContact O-CB 3.09Å; T923-N926 PolarHBondContact O-N 3.44Å; T923-N926 VanDerWaalsContact O-N 3.1Å; T923-N926 VanDerWaalsContact OG1-CG 3.27Å; T923-N926 PolarHBondContact OG1-ND2 2.83Å; T923-N926 PolarHBondContact OG1-OD1 3.42Å; L924-N926 PolarHBondContact O-N 2.88Å; L924-N926 VanDerWaalsContact O-N 3.14Å
927	C	74.4	Confident	63.3	Low	6 Å²	6	95.5 Å²	95.5	4%	0.041	50%	0.5	C	S	.	.	S	Bend	trans	-118.2	144.8	176	-71.1	0	0	0	0	109.6	S890 W891 C914 L924 P929	S890-C927 PolarHBondContact N-SG 3.49Å; S890-C927 VanDerWaalsContact N-SG 3.4Å; S890-C927 PolarHBondContact O-SG 2.88Å; W891-C927 HydrophobicContact CD2-CB 3.81Å; W891-C927 HydrophobicContact CE3-CB 4.39Å; W891-C927 HydrophobicContact CG-CB 4.22Å; W891-C927 HydrophobicContact CH2-CB 4.23Å; W891-C927 HydrophobicContact CZ2-CB 3.64Å; C914-C927 WeakPolarHBondContact CA-SG 3Å; C914-C927 HydrophobicContact CB-CB 3.77Å; C914-C927 WeakPolarHBondContact CB-SG 3.32Å; C914-C927 WeakPolarHBondContact SG-CB 3.45Å; C914-C927 PolarHBondContact SG-N 3.02Å; C914-C927 CovalentContact SG-SG 2.03Å; C914-C927 PolarHBondContact SG-SG 2.04Å; L924-C927 PolarHBondContact O-N 2.85Å; C927-P929 WeakPolarHBondContact O-CD 3.38Å
928	D	75.2	Confident	63.8	Low	78 Å²	78	94.9 Å²	94.9	42%	0.417	50%	0.497	S	S	.	.			trans	-61.4	121.6	-177.8	-169.3	-44.3	0	0	0	110.5	W891 K930 D931	W891-D928 PolarHBondContact NE1-O 2.86Å; D928-K930 PolarHBondContact O-N 2.88Å; D928-K930 VanDerWaalsContact O-N 3.1Å; D928-K930 VanDerWaalsContact OD1-CB 3.25Å; D928-K930 WeakPolarHBondContact OD1-CB 3.02Å; D928-K930 VanDerWaalsContact OD1-CG 3.25Å; D928-K930 WeakPolarHBondContact OD1-CG 3.47Å; D928-K930 PolarHBondContact OD1-N 2.82Å; D928-D931 PolarHBondContact O-N 2.86Å
929	P	64.8	Low	64.2	Low	103 Å²	103	96.3 Å²	96.3	67%	0.669	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-64.8	-13	-176.4	26.2	-35.4	0	0	0	114.4	C927 R932	C927-P929 WeakPolarHBondContact O-CD 3.38Å; P929-R932 WeakPolarHBondContact O-CB 3.44Å
930	K	61.6	Low	65.1	Low	179 Å²	179	94.6 Å²	94.6	78%	0.778	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-67.5	-36.3	175.4	-66.4	168.3	-174.8	166.1	0	112.6	D928 R932	D928-K930 PolarHBondContact O-N 2.88Å; D928-K930 VanDerWaalsContact O-N 3.1Å; D928-K930 VanDerWaalsContact OD1-CB 3.25Å; D928-K930 WeakPolarHBondContact OD1-CB 3.02Å; D928-K930 VanDerWaalsContact OD1-CG 3.25Å; D928-K930 WeakPolarHBondContact OD1-CG 3.47Å; D928-K930 PolarHBondContact OD1-N 2.82Å; K930-R932 PolarHBondContact O-N 2.87Å
931	D	65.4	Low	65.6	Low	123 Å²	123	92 Å²	92	66%	0.658	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-86.7	19.3	-174.6	-63.5	-32.6	0	0	0	113.1	D928 P933	D928-D931 PolarHBondContact O-N 2.86Å; D931-P933 WeakPolarHBondContact O-CD 3.46Å
932	R	75.6	Confident	65.8	Low	111 Å²	111	94.7 Å²	94.7	42%	0.419	48%	0.479	S	S	.	.			trans	-87.9	118.3	-168.5	-169.7	177.1	172.4	176	-1.5	113	W891 L912 P929 K930	W891-R932 HydrophobicContact CD2-CG 4.44Å; W891-R932 HydrophobicContact CZ2-CB 4.45Å; W891-R932 HydrophobicContact CZ2-CG 4.31Å; L912-R932 HydrophobicContact CD1-CG 3.61Å; P929-R932 WeakPolarHBondContact O-CB 3.44Å; K930-R932 PolarHBondContact O-N 2.87Å
933	P	60	Low	65.2	Low	53 Å²	53	102.6 Å²	102.6	34%	0.344	51%	0.505	S	S	.	.			trans	-64	152.8	-177.8	-24.4	34.7	0	0	0	115.7	L912 D931	L912-P933 WeakPolarHBondContact CD1-O 3.44Å; L912-P933 HydrophobicContact CD2-CG 4.14Å; D931-P933 WeakPolarHBondContact O-CD 3.46Å
934	R	50.5	Low	64.9	Low	233 Å²	233	102.6 Å²	102.6	88%	0.879	51%	0.514	S	S	*	.			trans	-136.8	152.8	169.6	-59.3	-174.3	-175.3	-157.9	1.6	109.7
935	P	48.6	Very low	64.9	Low	83 Å²	83	106 Å²	106	54%	0.539	54%	0.542	S	S	.	.			cis	-95.6	167.6	-1.8	37.6	-34.6	0	0	0	114.2	R910	R910-P935 PolarHBondContact NE-O 3.05Å; R910-P935 PolarHBondContact NH2-O 2.77Å
936	L	59.1	Low	65	Low	52 Å²	52	103.8 Å²	103.8	27%	0.272	53%	0.529	S	S	.	.			trans	-115.2	0.5	-179.4	-54.7	179.8	0	0	0	113.9	W896 K909 R910 L912	W896-L936 VanDerWaalsContact CZ3-C 3.48Å; W896-L936 VanDerWaalsContact CZ3-O 3.32Å; W896-L936 WeakPolarHBondContact CZ3-O 3.09Å; K909-L936 CarbonylContact C-O 3.55Å; K909-L936 VanDerWaalsContact CA-O 3.25Å; K909-L936 WeakPolarHBondContact CA-O 3.1Å; R910-L936 HydrophobicContact CG-CD2 4.28Å; R910-L936 PolarHBondContact N-O 3.02Å; L912-L936 HydrophobicContact CD1-CD1 4.09Å; L912-L936 HydrophobicContact CD1-CD2 3.73Å; L912-L936 HydrophobicContact CD1-CG 4.41Å; L912-L936 HydrophobicContact CG-CD2 3.73Å
937	L	51.7	Low	64.7	Low	104 Å²	104	105.1 Å²	105.1	55%	0.545	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.5	178.5	-166.8	74.3	0	0	0	108.3	F907 R908 K909	F907-L937 HydrophobicContact CB-CD1 4.22Å; F907-L937 HydrophobicContact CB-CG 4.44Å; F907-L937 HydrophobicContact CD2-CD1 3.88Å; F907-L937 HydrophobicContact CG-CD1 4.34Å; R908-L937 WeakPolarHBondContact O-CA 3.43Å; K909-L937 HydrophobicContact CB-CD1 3.97Å
938	E	72.8	Confident	64.2	Low	79 Å²	79	110.6 Å²	110.6	37%	0.369	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.8	143.7	-178.2	-174	-176	-137	0	0	110.5	W896 F907 R908	W896-E938 HydrophobicContact CE3-CB 4.33Å; W896-E938 HydrophobicContact CH2-CB 3.62Å; W896-E938 HydrophobicContact CZ2-CB 4.09Å; W896-E938 HydrophobicContact CZ3-CB 3.75Å; F907-E938 CarbonylContact C-O 3.44Å; F907-E938 VanDerWaalsContact CA-O 3.26Å; F907-E938 WeakPolarHBondContact CA-O 3.34Å; R908-E938 HydrophobicContact CG-CB 4.24Å; R908-E938 IonicContact CZ-OE2 2.75Å; R908-E938 PolarHBondContact N-O 2.97Å; R908-E938 IonicContact NE-OE2 3.1Å; R908-E938 PolarHBondContact NE-OE2 2.76Å; R908-E938 IonicContact NH2-OE1 3.12Å; R908-E938 IonicContact NH2-OE2 3.83Å; R908-E938 PolarHBondContact NH2-OE2 3.48Å; R908-E938 PolarHBondContact O-N 3.16Å
939	M	69.8	Low	63.6	Low	113 Å²	113	112.5 Å²	112.5	56%	0.557	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.4	136.7	179	-63.5	-178.7	73.8	0	0	111.8
940	C	75.9	Confident	63.5	Low	16 Å²	16	113.1 Å²	113.1	11%	0.108	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.4	167.2	179.8	50.3	0	0	0	0	111.4	C899 G906 F907 Q942	C899-C940 WeakPolarHBondContact CA-SG 3.37Å; C899-C940 HydrophobicContact CB-CB 3.93Å; C899-C940 WeakPolarHBondContact CB-SG 3.48Å; C899-C940 WeakPolarHBondContact SG-CB 3.47Å; C899-C940 CovalentContact SG-SG 2.03Å; C899-C940 PolarHBondContact SG-SG 2.77Å; G906-C940 CarbonylContact C-O 3.56Å; G906-C940 PolarHBondContact N-O 2.96Å; G906-C940 PolarHBondContact O-N 3.46Å; F907-C940 WeakPolarHBondContact CA-SG 3.24Å; F907-C940 PolarHBondContact N-SG 2.85Å; F907-C940 VanDerWaalsContact N-SG 3.43Å; C940-Q942 PolarHBondContact O-N 2.84Å
941	N	74.9	Confident	63.6	Low	74 Å²	74	108.7 Å²	108.7	40%	0.396	55%	0.55	S	S	.	*			trans	50.3	54.5	-179.9	-65.8	-11.1	0	0	0	114	K901 G904 R905 R943	K901-N941 PolarHBondContact O-ND2 2.89Å; G904-N941 CarbonylContact C-O 3.6Å; R905-N941 PolarHBondContact N-O 2.6Å; N941-R943 PolarHBondContact O-N 3.49Å; N941-R943 VanDerWaalsContact O-N 3.08Å
942	Q	67.8	Low	63.5	Low	140 Å²	140	107.7 Å²	107.7	65%	0.654	54%	0.543	S	S	*	.			trans	-72.3	0.9	-174.9	-58.1	-175.7	9.7	0	0	115.3	C940	C940-Q942 PolarHBondContact O-N 2.84Å
943	R	61	Low	62.5	Low	221 Å²	221	107.5 Å²	107.5	83%	0.834	55%	0.552	S	S	*	*	S	Bend	trans	-88.5	152.8	177	-61.9	-176.6	-177.9	-174.7	0.6	110.3	G904 N941	G904-R943 WeakPolarHBondContact CA-O 3.35Å; G904-R943 PolarHBondContact N-O 3.06Å; G904-R943 VanDerWaalsContact N-O 3.07Å; N941-R943 PolarHBondContact O-N 3.49Å; N941-R943 VanDerWaalsContact O-N 3.08Å
944	A	62.8	Low	62.8	Low	89 Å²	89	112 Å²	112	74%	0.736	57%	0.57	S	S	*	*			trans	-62.1	155.3	177	0	0	0	0	0	112.2
945	C	58.3	Low	63.9	Low	140 Å²	140	101 Å²	101	95%	0.946	54%	0.541	S	S	*	.			trans	-77.4	0	149.7	-55.8	0	0	0	0	107.8	C903	C903-C945 HydrophobicContact CB-CB 3.95Å; C903-C945 WeakPolarHBondContact CB-SG 3.05Å; C903-C945 PolarHBondContact O-SG 3.34Å; C903-C945 VanDerWaalsContact O-SG 3.41Å; C903-C945 WeakPolarHBondContact SG-CB 3.34Å; C903-C945 CovalentContact SG-SG 2.04Å; C903-C945 PolarHBondContact SG-SG 3.15Å

Retrieved 945 of 945 residues in 6419.2 ms (Link to these results)

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