A0A096NGZ0_PAPAN Loading...

von Willebrand factor C and EGF domain-containing protein

May be a regulatory element in the beta-catenin signaling pathway and a target for chemoprevention of hapatocellular carcinoma.

AlphaFold DB , UniProt , Accession A0A096NGZ0, Species PAPAN (Papio anubis, Olive baboon), Gene VWCE, Length 955 aa.

						>A0A096NGZ0_PAPAN|A0A096NGZ0|VWCE
MWAGLLLRAACVALLLPGAPARGYTGRKPPGHFAAERRMLGPHVCLSGFGSGCCPGWAPSMGGGHCTLPLCSFGCGSGICIAPNVCSCQDGEQGATCPETHGPCGEYGCDLTCNHGGCQEVARVCPVGFSMTETAVGIRCTDIDECVSSSCEGHCVNTEGGFVCECGPGMQLSADRHSCQDTDECLGTPCQQRCKNSIGSYKCSCRTGFHLHGNRHSCVDVNECRRPLERRVCHHSCHNTVGSFLCTCRPGFRLRADRVSCEAFPKAVLAPSAILQPRQHPSKMLLLLPEAGRPALSPGHSPPSGAPGPPAGVRTTRLPSPTPPLPTSSPSAPVWLLSTLMATPVPTASLLGNLRPPSLLHREVMGTPSSPRGPKAPWLAAGPSPCWHLGAMLESGSRWTEPGCSQCWCKDGKVTCEKVRCEAACSHPIPSKDGGCCPSCTDCFHSGVVRAEGDVFSPPNENCTVCVCLAGNVSCISPECPPGPCQTLPQSDCCACVPVRCYFHGRWYADGAVFSGGGDECTTCVCQNGEVECSFMPCPELACPREEWRLGPGQCCFTCQEPTPATGCSLDDNGVEFPIGQIWSPGDPCELCICQADGSVSCKRTDCVDSCPHPIRIPGQCCPDCSAGCTYTGRIFYNNETFPSVLDPCLSCICLLGSVACSPVDCPITCTYPFHPDGECCPVCRDCNYEGRKVANGQVFTLDDEPCTRCTCQLGEVSCEKIPCQRACADPALLPGDCCSSCPDSLSPLEEKQGLSAHGNVAFSKAARSLHGDTEAPVNCSSCTGTPIASLSRPALHLLQLLLRTNLTKTQTLPTSPAGALGLHSPALGPTGTFPGEPGASPRLSPGPSTPPGAPTLPLASPGAPQPPPVTPEHSFSASGAQIASRWPPLPATLLTEASALSMMDPSPSKTPITLLGTRTLSSTTSRLSAALAATTHHGPQQPPVGASQGEESTM
					

Structure Viewer

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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	32.8	Very low	30.8	Very low	158 Å²	158	144 Å²	144	78%	0.778	82%	0.816	S	S	*	*				0	147.1	0	-80.3	173	-79.3	0	0	108.4	L350	M1-L350 HydrophobicContact CG-CD1 4.17Å; M1-L350 HydrophobicContact CG-CD2 3.6Å; M1-L350 HydrophobicContact CG-CG 3.87Å; M1-L350 HydrophobicContact SD-CD2 3.94Å; M1-L350 HydrophobicContact SD-CG 4.09Å
2	W	30.6	Very low	30.8	Very low	246 Å²	246	143.8 Å²	143.8	93%	0.932	82%	0.819	S	S	*	*			trans	33.9	109.8	153.9	-65.9	36	0	0	0	116.9
3	A	31.3	Very low	31.1	Very low	98 Å²	98	139.8 Å²	139.8	81%	0.81	82%	0.815	S	S	*	*				65.6	133.9	65.1	0	0	0	0	0	113.6
4	G	30.3	Very low	31	Very low	66 Å²	66	141.8 Å²	141.8	68%	0.68	82%	0.819	S	S	*	*			cis	159.8	-165.6	-4.5	0	0	0	0	0	113.7
5	L	34.4	Very low	30.9	Very low	161 Å²	161	142.3 Å²	142.3	84%	0.843	82%	0.817	S	S	*	*			trans	68.8	143.2	175.4	-72.1	82.5	0	0	0	117.1
6	L	29.4	Very low	30.7	Very low	154 Å²	154	143.4 Å²	143.4	81%	0.806	82%	0.818	S	S	*	*			cis	-158.2	152.3	-34	-126.8	178.1	0	0	0	108.2
7	L	30.5	Very low	31.4	Very low	139 Å²	139	142.4 Å²	142.4	73%	0.728	82%	0.818	S	S	*	*			trans	-94.4	139.5	-175.6	-108.1	73	0	0	0	113.7
8	R	31.7	Very low	31.1	Very low	234 Å²	234	138.5 Å²	138.5	88%	0.883	81%	0.814	S	S	*	*			trans	51.5	121.7	143.8	-63.9	179.5	177.8	-177.7	-1.8	120
9	A	29.2	Very low	31.3	Very low	100 Å²	100	136.6 Å²	136.6	83%	0.826	82%	0.816	S	S	*	*			trans	-149.6	155.5	136.2	0	0	0	0	0	111.4
10	A	30.5	Very low	31.6	Very low	95 Å²	95	135.8 Å²	135.8	79%	0.785	81%	0.814	S	S	*	*			trans	56	120	162	0	0	0	0	0	120.5
11	C	28.6	Very low	31.5	Very low	133 Å²	133	134.2 Å²	134.2	90%	0.899	82%	0.815	S	S	*	*			trans	-91.7	130	152.1	-62.8	0	0	0	0	109.6
12	V	30.4	Very low	31.3	Very low	142 Å²	142	138.4 Å²	138.4	86%	0.861	82%	0.823	S	S	*	*			trans	-138.2	141.4	158.7	-179.7	0	0	0	0	107
13	A	35	Very low	31.5	Very low	92 Å²	92	130 Å²	130	76%	0.76	81%	0.813	S	S	*	*			trans	-86.1	154.2	-174.4	0	0	0	0	0	113.1
14	L	29.9	Very low	31.3	Very low	167 Å²	167	135.7 Å²	135.7	87%	0.874	82%	0.815	S	S	*	*			trans	-156.1	170.3	153.7	-110	169.2	0	0	0	111
15	L	28.6	Very low	31.4	Very low	150 Å²	150	138.1 Å²	138.1	79%	0.785	82%	0.816	S	S	*	*			trans	-90.7	149.6	-152.1	-64.5	154.6	0	0	0	116
16	L	28	Very low	31.7	Very low	160 Å²	160	134.4 Å²	134.4	84%	0.838	82%	0.817	S	S	*	*			trans	0.8	165	145.9	-65	172.9	0	0	0	121.5
17	P	43.3	Very low	32	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	82%	0.823	S	S	*	*			cis	-129.9	179.3	2.8	39.2	-22.6	0	0	0	115.4
18	G	26.1	Very low	32.1	Very low	73 Å²	73	141.5 Å²	141.5	75%	0.753	83%	0.829	S	S	*	*			trans	-179.6	-2.6	173.6	0	0	0	0	0	125.4
19	A	33.4	Very low	32.3	Very low	102 Å²	102	136 Å²	136	84%	0.843	82%	0.823	S	S	*	*			trans	59.8	173.5	174	0	0	0	0	0	118
20	P	38.4	Very low	32.6	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	82%	0.823	S	S	*	*			cis	-121.7	178.4	-21.7	39.9	-25.9	0	0	0	114.3
21	A	29.5	Very low	32.6	Very low	102 Å²	102	136.2 Å²	136.2	84%	0.843	82%	0.821	S	S	*	*			trans	49.4	112.9	152.1	0	0	0	0	0	122.1
22	R	29.1	Very low	33.3	Very low	246 Å²	246	139 Å²	139	93%	0.928	82%	0.821	S	S	*	*			trans	-149.1	135.7	146.5	-158.8	170.3	-170.5	162.4	3.9	110.5
23	G	33.4	Very low	33.7	Very low	70 Å²	70	142.5 Å²	142.5	72%	0.722	83%	0.825	S	S	*	*			trans	-79.5	171.6	-176.6	0	0	0	0	0	114.7
24	Y	28	Very low	33.4	Very low	217 Å²	217	142.7 Å²	142.7	85%	0.851	83%	0.826	S	S	*	*			trans	-135.8	126.5	177.5	-107.8	-93.5	0	0	0	113.1
25	T	32.6	Very low	33.6	Very low	117 Å²	117	139.1 Å²	139.1	72%	0.718	82%	0.821	S	S	*	*			trans	17.9	130.9	149	62.8	0	0	0	0	120.2
26	G	39.8	Very low	34	Very low	83 Å²	83	138.5 Å²	138.5	86%	0.856	81%	0.814	S	S	*	*			trans	-63	164.5	174.1	0	0	0	0	0	115.7
27	R	35.7	Very low	35	Very low	249 Å²	249	141.9 Å²	141.9	94%	0.94	82%	0.815	S	S	*	*			trans	-116.6	156.7	176	-76.4	-176.6	168.7	-170.1	-2.8	111.4
28	K	34	Very low	35.5	Very low	194 Å²	194	143.8 Å²	143.8	84%	0.843	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-60.4	156	170.5	-75.2	-177.6	175.9	-178.7	0	111.7
29	P	34.4	Very low	37	Very low	118 Å²	118	142.6 Å²	142.6	77%	0.766	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-62.1	142.3	172.7	27.3	-35.7	0	0	0	111.3
30	P	36.5	Very low	38.2	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-69.5	141.1	164.6	31.1	-32.9	0	0	0	109.7
31	G	30.2	Very low	39.2	Very low	72 Å²	72	138.3 Å²	138.3	74%	0.742	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-76.2	165.6	179.7	0	0	0	0	0	113.4	F33	G31-F33 PolarHBondContact O-N 3.46Å
32	H	42.7	Very low	40.4	Very low	193 Å²	193	138 Å²	138	89%	0.894	74%	0.736	S	S	*	*	S	Bend	trans	-57	119.1	167.7	-61.4	-44.8	0	0	0	110.7
33	F	38.3	Very low	42.1	Very low	214 Å²	214	129 Å²	129	94%	0.939	71%	0.705	S	S	*	*			trans	-171	59.5	138.9	-101.8	-62.1	0	0	0	110.4	G31	G31-F33 PolarHBondContact O-N 3.46Å
34	A	30.6	Very low	43.5	Very low	96 Å²	96	127.8 Å²	127.8	79%	0.793	68%	0.683	S	S	*	*			trans	-88.3	123.3	153.3	0	0	0	0	0	106.8	E36	A34-E36 PolarHBondContact O-N 3.28Å
35	A	33.5	Very low	45.1	Very low	92 Å²	92	119.9 Å²	119.9	76%	0.76	66%	0.659	S	S	*	*			trans	-65.3	122.2	175.1	0	0	0	0	0	108.8	R37	A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.42Å
36	E	37.4	Very low	46.1	Very low	138 Å²	138	121.7 Å²	121.7	65%	0.645	66%	0.664	S	S	*	*			trans	-67.1	90.6	-177.6	-168.8	-177.7	-134.2	0	0	109.7	A34 R38	A34-E36 PolarHBondContact O-N 3.28Å; E36-R38 HydrophobicContact CG-CG 3.88Å; E36-R38 PolarHBondContact O-N 3.32Å; E36-R38 IonicContact OE1-NH2 3.84Å; E36-R38 IonicContact OE2-CZ 3.17Å; E36-R38 IonicContact OE2-NE 2.72Å; E36-R38 PolarHBondContact OE2-NE 3.39Å; E36-R38 IonicContact OE2-NH2 2.74Å; E36-R38 PolarHBondContact OE2-NH2 2.04Å
37	R	48	Very low	46.7	Very low	230 Å²	230	122.1 Å²	122.1	87%	0.868	65%	0.653	S	S	*	*			trans	-69.6	77.2	167.7	-72.9	-168.3	179.7	-163.6	1.1	108.5	A35 M39	A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.42Å; R37-M39 PolarHBondContact O-N 2.04Å
38	R	54.2	Low	47	Very low	166 Å²	166	114.1 Å²	114.1	63%	0.626	65%	0.648	S	S	*	*			trans	-55.1	122	169	-65	-174.3	179.6	-148.4	-12.1	107.7	E36	E36-R38 HydrophobicContact CG-CG 3.88Å; E36-R38 PolarHBondContact O-N 3.32Å; E36-R38 IonicContact OE1-NH2 3.84Å; E36-R38 IonicContact OE2-CZ 3.17Å; E36-R38 IonicContact OE2-NE 2.72Å; E36-R38 PolarHBondContact OE2-NE 3.39Å; E36-R38 IonicContact OE2-NH2 2.74Å; E36-R38 PolarHBondContact OE2-NH2 2.04Å
39	M	58.3	Low	47.4	Very low	48 Å²	48	115.2 Å²	115.2	24%	0.236	65%	0.653	C	S	.	*			trans	-66.5	143.2	166.2	-53.7	-62.5	-77.5	0	0	107.3	R37 V44 S51 P59	R37-M39 PolarHBondContact O-N 2.04Å; M39-V44 HydrophobicContact CB-CG1 4.1Å; M39-V44 HydrophobicContact CB-CG2 4Å; M39-V44 WeakPolarHBondContact O-CG2 3.09Å; M39-S51 WeakPolarHBondContact CG-O 3.04Å; M39-S51 PolarHBondContact N-OG 2.68Å; M39-P59 HydrophobicContact CE-CB 3.7Å; M39-P59 HydrophobicContact CE-CG 4.04Å
40	L	57.9	Low	48.3	Very low	94 Å²	94	111.6 Å²	111.6	49%	0.492	64%	0.637	S	S	.	*	B	Isolated β-bridge	trans	-125.4	171.6	-172.5	-68.6	171.6	0	0	0	111.6	V44 H65 C66	L40-V44 WeakPolarHBondContact O-CG2 3.4Å; L40-H65 VanDerWaalsContact CB-CE1 3.42Å; L40-H65 WeakPolarHBondContact CB-CE1 3.39Å; L40-H65 WeakPolarHBondContact CB-ND1 3.43Å; L40-H65 CarbonylContact O-C 3.27Å; L40-H65 WeakPolarHBondContact O-CA 3.43Å; L40-C66 PolarHBondContact O-N 3.49Å
41	G	59.8	Low	49.3	Very low	39 Å²	39	107.2 Å²	107.2	40%	0.402	61%	0.609	S	S	.	*	S	Bend	trans	86.5	-176.7	-177.2	0	0	0	0	0	114.2	H43 V44 H65	G41-H43 PolarHBondContact O-N 3.19Å; G41-V44 WeakPolarHBondContact O-CG2 3.48Å; G41-H65 PolarHBondContact N-ND1 3.23Å
42	P	54.3	Low	51	Low	94 Å²	94	105.2 Å²	105.2	61%	0.61	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-24.4	-162.8	26	-34.6	0	0	0	115.7	T67	P42-T67 HydrophobicContact CG-CG2 4.24Å
43	H	64	Low	52.1	Low	58 Å²	58	97.5 Å²	97.5	27%	0.269	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.2	45.1	-173.1	-49.2	-56.4	0	0	0	112.7	G41 C53 C54 W57 C66	G41-H43 PolarHBondContact O-N 3.19Å; H43-C53 WeakPolarHBondContact O-CA 3.5Å; H43-C54 VanDerWaalsContact C-SG 3.59Å; H43-C54 PolarHBondContact O-N 2.64Å; H43-C54 PolarHBondContact O-SG 2.74Å; H43-W57 HydrophobicContact CB-CB 3.99Å; H43-W57 HydrophobicContact CB-CD2 3.72Å; H43-W57 HydrophobicContact CB-CE3 4.31Å; H43-W57 HydrophobicContact CB-CG 3.54Å; H43-W57 AromaticContact CD2-CD2 3.46Å; H43-W57 VanDerWaalsContact CD2-CD2 3.46Å; H43-W57 AromaticContact CD2-CE2 3.52Å; H43-W57 AromaticContact CD2-CE3 3.4Å; H43-W57 AromaticContact CD2-CH2 3.52Å; H43-W57 AromaticContact CD2-CZ2 3.56Å; H43-W57 AromaticContact CD2-CZ3 3.42Å; H43-W57 VanDerWaalsContact CD2-CZ3 3.42Å; H43-W57 WeakPolarHBondContact CD2-CZ3 3.35Å; H43-W57 AromaticContact CE1-CZ2 3.82Å; H43-W57 AromaticContact CG-CD2 3.57Å; H43-W57 AromaticContact CG-CE2 3.51Å; H43-W57 AromaticContact CG-CE3 3.99Å; H43-W57 AromaticContact CG-CG 3.94Å; H43-W57 AromaticContact CG-CZ2 3.92Å; H43-W57 AromaticContact CG-NE1 3.81Å; H43-W57 AromaticContact ND1-CE2 3.92Å; H43-W57 AromaticContact NE2-CE2 3.96Å; H43-W57 AromaticContact NE2-CH2 3.45Å; H43-W57 WeakPolarHBondContact NE2-CH2 3.19Å; H43-W57 AromaticContact NE2-CZ2 3.54Å; H43-W57 AromaticContact NE2-CZ3 3.8Å; H43-C66 HydrophobicContact CB-CB 4.32Å; H43-C66 PolarHBondContact N-O 3.32Å; H43-C66 WeakPolarHBondContact O-CB 3.08Å
44	V	63.6	Low	53.2	Low	45 Å²	45	88.5 Å²	88.5	27%	0.273	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.2	175.7	177.5	0	0	0	0	109.7	M39 L40 G41 G52 C54 C66	M39-V44 HydrophobicContact CB-CG1 4.1Å; M39-V44 HydrophobicContact CB-CG2 4Å; M39-V44 WeakPolarHBondContact O-CG2 3.09Å; L40-V44 WeakPolarHBondContact O-CG2 3.4Å; G41-V44 WeakPolarHBondContact O-CG2 3.48Å; V44-G52 CarbonylContact C-O 3.49Å; V44-G52 WeakPolarHBondContact CA-O 3.06Å; V44-C54 VanDerWaalsContact C-SG 3.56Å; V44-C66 HydrophobicContact CG2-CB 3.95Å
45	C	61.4	Low	54.7	Low	51 Å²	51	89.7 Å²	89.7	35%	0.345	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.8	176.5	-82.7	0	0	0	0	110.7	G52 C54	C45-G52 PolarHBondContact N-O 2.8Å; C45-G52 PolarHBondContact O-N 2.85Å; C45-G52 VanDerWaalsContact O-O 3.11Å; C45-C54 HydrophobicContact CB-CB 3.95Å; C45-C54 WeakPolarHBondContact CB-SG 3.48Å; C45-C54 PolarHBondContact N-SG 2.87Å; C45-C54 VanDerWaalsContact N-SG 3.39Å; C45-C54 WeakPolarHBondContact SG-CA 3.34Å; C45-C54 WeakPolarHBondContact SG-CB 3.39Å; C45-C54 CovalentContact SG-SG 2.04Å; C45-C54 PolarHBondContact SG-SG 2.8Å
46	L	53.4	Low	55.8	Low	155 Å²	155	86.4 Å²	86.4	81%	0.812	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.4	174	-72	163.8	0	0	0	109.6
47	S	51.4	Low	57.3	Low	92 Å²	92	82.1 Å²	82.1	64%	0.643	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	165.7	170.2	-175.1	0	0	0	0	109.8	F49 G50	S47-F49 PolarHBondContact O-N 2.89Å; S47-G50 PolarHBondContact N-O 2.63Å; S47-G50 PolarHBondContact O-N 3Å
48	G	43.8	Very low	58.4	Low	80 Å²	80	72 Å²	72	83%	0.825	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-5.8	-173.6	0	0	0	0	0	116.2
49	F	41.3	Very low	59.1	Low	218 Å²	218	66.4 Å²	66.4	96%	0.956	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	2	177.2	-64.3	-85.1	0	0	0	114.2	S47	S47-F49 PolarHBondContact O-N 2.89Å
50	G	53.5	Low	59.7	Low	41 Å²	41	65.8 Å²	65.8	42%	0.423	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.9	179.7	174.9	0	0	0	0	0	115.5	S47	S47-G50 PolarHBondContact N-O 2.63Å; S47-G50 PolarHBondContact O-N 3Å
51	S	58.3	Low	59.7	Low	35 Å²	35	69.7 Å²	69.7	25%	0.245	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.8	170.9	61.7	0	0	0	0	111.1	M39	M39-S51 WeakPolarHBondContact CG-O 3.04Å; M39-S51 PolarHBondContact N-OG 2.68Å
52	G	64.7	Low	59.5	Low	30 Å²	30	72.3 Å²	72.3	31%	0.309	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-178	171.4	0	0	0	0	0	111.5	V44 C45	V44-G52 CarbonylContact C-O 3.49Å; V44-G52 WeakPolarHBondContact CA-O 3.06Å; C45-G52 PolarHBondContact N-O 2.8Å; C45-G52 PolarHBondContact O-N 2.85Å; C45-G52 VanDerWaalsContact O-O 3.11Å
53	C	66.4	Low	59.9	Low	32 Å²	32	70 Å²	70	22%	0.216	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	148.3	163.4	-58.2	0	0	0	0	110	H43 W57 A58 C66	H43-C53 WeakPolarHBondContact O-CA 3.5Å; C53-W57 HydrophobicContact CB-CB 4.26Å; C53-W57 WeakPolarHBondContact CB-O 3.06Å; C53-A58 VanDerWaalsContact SG-C 3.6Å; C53-C66 WeakPolarHBondContact CA-SG 3.49Å; C53-C66 HydrophobicContact CB-CB 3.67Å; C53-C66 WeakPolarHBondContact CB-SG 3.36Å; C53-C66 VanDerWaalsContact SG-CA 3.58Å; C53-C66 WeakPolarHBondContact SG-CB 3.47Å; C53-C66 CovalentContact SG-SG 2.04Å; C53-C66 PolarHBondContact SG-SG 2.83Å
54	C	61.9	Low	59.8	Low	24 Å²	24	68.6 Å²	68.6	16%	0.162	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-62.3	153.8	174.6	-64.7	0	0	0	0	111.3	H43 V44 C45 G56 W57	H43-C54 VanDerWaalsContact C-SG 3.59Å; H43-C54 PolarHBondContact O-N 2.64Å; H43-C54 PolarHBondContact O-SG 2.74Å; V44-C54 VanDerWaalsContact C-SG 3.56Å; C45-C54 HydrophobicContact CB-CB 3.95Å; C45-C54 WeakPolarHBondContact CB-SG 3.48Å; C45-C54 PolarHBondContact N-SG 2.87Å; C45-C54 VanDerWaalsContact N-SG 3.39Å; C45-C54 WeakPolarHBondContact SG-CA 3.34Å; C45-C54 WeakPolarHBondContact SG-CB 3.39Å; C45-C54 CovalentContact SG-SG 2.04Å; C45-C54 PolarHBondContact SG-SG 2.8Å; C54-G56 PolarHBondContact O-N 3.35Å; C54-W57 WeakPolarHBondContact O-CB 3.29Å; C54-W57 PolarHBondContact O-N 2.91Å
55	P	61.6	Low	59.9	Low	121 Å²	121	70 Å²	70	79%	0.786	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	133	172.7	-27.1	35.6	0	0	0	111.1
56	G	57.2	Low	60.3	Low	24 Å²	24	67.6 Å²	67.6	25%	0.247	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	2	-173.8	0	0	0	0	0	115.8	C54 L70 P83	C54-G56 PolarHBondContact O-N 3.35Å; G56-L70 WeakPolarHBondContact O-CB 3.49Å; G56-L70 PolarHBondContact O-N 2.04Å; G56-P83 WeakPolarHBondContact O-CG 3.43Å
57	W	68.3	Low	60.8	Low	47 Å²	47	63.1 Å²	63.1	18%	0.178	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.1	178.2	-63.7	89.8	0	0	0	112.9	H43 C53 C54 L68 P69 P83	H43-W57 HydrophobicContact CB-CB 3.99Å; H43-W57 HydrophobicContact CB-CD2 3.72Å; H43-W57 HydrophobicContact CB-CE3 4.31Å; H43-W57 HydrophobicContact CB-CG 3.54Å; H43-W57 AromaticContact CD2-CD2 3.46Å; H43-W57 VanDerWaalsContact CD2-CD2 3.46Å; H43-W57 AromaticContact CD2-CE2 3.52Å; H43-W57 AromaticContact CD2-CE3 3.4Å; H43-W57 AromaticContact CD2-CH2 3.52Å; H43-W57 AromaticContact CD2-CZ2 3.56Å; H43-W57 AromaticContact CD2-CZ3 3.42Å; H43-W57 VanDerWaalsContact CD2-CZ3 3.42Å; H43-W57 WeakPolarHBondContact CD2-CZ3 3.35Å; H43-W57 AromaticContact CE1-CZ2 3.82Å; H43-W57 AromaticContact CG-CD2 3.57Å; H43-W57 AromaticContact CG-CE2 3.51Å; H43-W57 AromaticContact CG-CE3 3.99Å; H43-W57 AromaticContact CG-CG 3.94Å; H43-W57 AromaticContact CG-CZ2 3.92Å; H43-W57 AromaticContact CG-NE1 3.81Å; H43-W57 AromaticContact ND1-CE2 3.92Å; H43-W57 AromaticContact NE2-CE2 3.96Å; H43-W57 AromaticContact NE2-CH2 3.45Å; H43-W57 WeakPolarHBondContact NE2-CH2 3.19Å; H43-W57 AromaticContact NE2-CZ2 3.54Å; H43-W57 AromaticContact NE2-CZ3 3.8Å; C53-W57 HydrophobicContact CB-CB 4.26Å; C53-W57 WeakPolarHBondContact CB-O 3.06Å; C54-W57 WeakPolarHBondContact O-CB 3.29Å; C54-W57 PolarHBondContact O-N 2.91Å; W57-L68 CarbonylContact C-O 3.44Å; W57-L68 WeakPolarHBondContact CA-O 3.08Å; W57-P69 HydrophobicContact CE3-CB 4.07Å; W57-P69 HydrophobicContact CH2-CB 4.14Å; W57-P69 HydrophobicContact CZ3-CB 3.8Å; W57-P69 HydrophobicContact CZ3-CG 4.2Å; W57-P83 HydrophobicContact CD2-CG 4.35Å; W57-P83 HydrophobicContact CG-CG 4.48Å; W57-P83 HydrophobicContact CZ2-CG 4.01Å; W57-P83 VanDerWaalsContact NE1-CG 3.29Å
58	A	70.6	Confident	61.5	Low	17 Å²	17	62.9 Å²	62.9	14%	0.14	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.5	-178.8	0	0	0	0	0	112.1	C53 T67 L68 L70	C53-A58 VanDerWaalsContact SG-C 3.6Å; A58-T67 PolarHBondContact O-N 3.32Å; A58-L68 HydrophobicContact CB-CB 4.24Å; A58-L68 HydrophobicContact CB-CD2 4.32Å; A58-L68 PolarHBondContact N-O 2.91Å; A58-L68 PolarHBondContact O-N 3.15Å; A58-L68 VanDerWaalsContact O-N 3.12Å; A58-L70 HydrophobicContact CB-CD1 4.11Å; A58-L70 HydrophobicContact CB-CD2 3.82Å; A58-L70 HydrophobicContact CB-CG 3.98Å
59	P	69.9	Low	62.2	Low	49 Å²	49	59.8 Å²	59.8	32%	0.318	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.2	174.6	27	-32	0	0	0	112.3	M39 H65	M39-P59 HydrophobicContact CE-CB 3.7Å; M39-P59 HydrophobicContact CE-CG 4.04Å; P59-H65 CarbonylContact C-O 3.52Å; P59-H65 WeakPolarHBondContact CA-O 3.09Å
60	S	71	Confident	63.1	Low	35 Å²	35	53.3 Å²	53.3	25%	0.245	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-59.4	134.4	168.6	58.9	0	0	0	0	111.5	G62 G63 G64 H65 T67	S60-G62 PolarHBondContact O-N 3.39Å; S60-G63 PolarHBondContact O-N 2.8Å; S60-G63 VanDerWaalsContact O-N 3.12Å; S60-G64 PolarHBondContact O-N 3.04Å; S60-H65 PolarHBondContact N-O 2.94Å; S60-H65 PolarHBondContact OG-N 3.41Å; S60-H65 PolarHBondContact OG-O 2.85Å; S60-T67 WeakPolarHBondContact CB-OG1 3.37Å
61	M	57.6	Low	63.7	Low	176 Å²	176	52.1 Å²	52.1	87%	0.867	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	125.8	177.6	-71.3	-68	102.2	0	0	111.7	G63	M61-G63 VanDerWaalsContact C-N 3.27Å; M61-G63 PolarHBondContact O-N 3.49Å
62	G	55	Low	63.5	Low	95 Å²	95	55.2 Å²	55.2	98%	0.979	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-24.7	-178.9	0	0	0	0	0	116	S60	S60-G62 PolarHBondContact O-N 3.39Å
63	G	62.5	Low	63	Low	45 Å²	45	62 Å²	62	46%	0.464	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-34.1	-175.9	0	0	0	0	0	115.7	S60 M61 H65	S60-G63 PolarHBondContact O-N 2.8Å; S60-G63 VanDerWaalsContact O-N 3.12Å; M61-G63 VanDerWaalsContact C-N 3.27Å; M61-G63 PolarHBondContact O-N 3.49Å; G63-H65 PolarHBondContact O-CD2 2.03Å; G63-H65 PolarHBondContact O-N 2.98Å
64	G	62.2	Low	62.4	Low	28 Å²	28	62.1 Å²	62.1	29%	0.289	40%	0.395	S	S	.	.			trans	70.4	11.9	-169.3	0	0	0	0	0	114.1	S60	S60-G64 PolarHBondContact O-N 3.04Å
65	H	65.7	Low	62.2	Low	76 Å²	76	61.5 Å²	61.5	35%	0.352	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-86	127.6	177.2	-75.1	-107	0	0	0	110.9	L40 G41 P59 S60 G63 T67	L40-H65 VanDerWaalsContact CB-CE1 3.42Å; L40-H65 WeakPolarHBondContact CB-CE1 3.39Å; L40-H65 WeakPolarHBondContact CB-ND1 3.43Å; L40-H65 CarbonylContact O-C 3.27Å; L40-H65 WeakPolarHBondContact O-CA 3.43Å; G41-H65 PolarHBondContact N-ND1 3.23Å; P59-H65 CarbonylContact C-O 3.52Å; P59-H65 WeakPolarHBondContact CA-O 3.09Å; S60-H65 PolarHBondContact N-O 2.94Å; S60-H65 PolarHBondContact OG-N 3.41Å; S60-H65 PolarHBondContact OG-O 2.85Å; G63-H65 PolarHBondContact O-CD2 2.03Å; G63-H65 PolarHBondContact O-N 2.98Å; H65-T67 HydrophobicContact CB-CG2 4.22Å; H65-T67 PolarHBondContact O-N 2.84Å; H65-T67 PolarHBondContact O-OG1 3.34Å; H65-T67 VanDerWaalsContact O-OG1 3.06Å
66	C	70.3	Confident	62.4	Low	0 Å²	0	58.4 Å²	58.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	89.3	179.6	-61.4	0	0	0	0	110.4	L40 H43 V44 C53	L40-C66 PolarHBondContact O-N 3.49Å; H43-C66 HydrophobicContact CB-CB 4.32Å; H43-C66 PolarHBondContact N-O 3.32Å; H43-C66 WeakPolarHBondContact O-CB 3.08Å; V44-C66 HydrophobicContact CG2-CB 3.95Å; C53-C66 WeakPolarHBondContact CA-SG 3.49Å; C53-C66 HydrophobicContact CB-CB 3.67Å; C53-C66 WeakPolarHBondContact CB-SG 3.36Å; C53-C66 VanDerWaalsContact SG-CA 3.58Å; C53-C66 WeakPolarHBondContact SG-CB 3.47Å; C53-C66 CovalentContact SG-SG 2.04Å; C53-C66 PolarHBondContact SG-SG 2.83Å
67	T	63.8	Low	62.6	Low	60 Å²	60	59 Å²	59	37%	0.368	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-5.9	-170.1	50	0	0	0	0	113.4	P42 A58 S60 H65 P69	P42-T67 HydrophobicContact CG-CG2 4.24Å; A58-T67 PolarHBondContact O-N 3.32Å; S60-T67 WeakPolarHBondContact CB-OG1 3.37Å; H65-T67 HydrophobicContact CB-CG2 4.22Å; H65-T67 PolarHBondContact O-N 2.84Å; H65-T67 PolarHBondContact O-OG1 3.34Å; H65-T67 VanDerWaalsContact O-OG1 3.06Å; T67-P69 WeakPolarHBondContact O-CD 3.43Å
68	L	65.6	Low	62.7	Low	87 Å²	87	57.4 Å²	57.4	46%	0.455	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.8	177.4	-175.8	68.7	0	0	0	109.1	W57 A58	W57-L68 CarbonylContact C-O 3.44Å; W57-L68 WeakPolarHBondContact CA-O 3.08Å; A58-L68 HydrophobicContact CB-CB 4.24Å; A58-L68 HydrophobicContact CB-CD2 4.32Å; A58-L68 PolarHBondContact N-O 2.91Å; A58-L68 PolarHBondContact O-N 3.15Å; A58-L68 VanDerWaalsContact O-N 3.12Å
69	P	58.8	Low	62.4	Low	16 Å²	16	62.6 Å²	62.6	10%	0.104	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	149.3	177.1	29	-34	0	0	0	111.5	W57 T67 C80	W57-P69 HydrophobicContact CE3-CB 4.07Å; W57-P69 HydrophobicContact CH2-CB 4.14Å; W57-P69 HydrophobicContact CZ3-CB 3.8Å; W57-P69 HydrophobicContact CZ3-CG 4.2Å; T67-P69 WeakPolarHBondContact O-CD 3.43Å; P69-C80 HydrophobicContact CB-CB 4.22Å; P69-C80 HydrophobicContact CG-CB 3.82Å; P69-C80 VanDerWaalsContact CG-O 3.23Å; P69-C80 WeakPolarHBondContact CG-O 3.42Å
70	L	60.7	Low	62.3	Low	81 Å²	81	62 Å²	62	42%	0.424	40%	0.401	S	S	.	.			trans	-113.5	131.9	178.3	-63.6	173.2	0	0	0	110.2	G56 A58 P83 N84	G56-L70 WeakPolarHBondContact O-CB 3.49Å; G56-L70 PolarHBondContact O-N 2.04Å; A58-L70 HydrophobicContact CB-CD1 4.11Å; A58-L70 HydrophobicContact CB-CD2 3.82Å; A58-L70 HydrophobicContact CB-CG 3.98Å; L70-P83 WeakPolarHBondContact O-CA 3.48Å; L70-N84 PolarHBondContact O-N 3.03Å
71	C	64.9	Low	62.3	Low	17 Å²	17	64.1 Å²	64.1	12%	0.115	41%	0.408	C	S	.	.			trans	-114.7	112.2	171	-45.1	0	0	0	0	108.3	F73 G74 C75 C80 N84	C71-F73 PolarHBondContact O-N 3.49Å; C71-F73 VanDerWaalsContact O-N 3.14Å; C71-G74 PolarHBondContact O-N 2.98Å; C71-C75 PolarHBondContact SG-SG 3.21Å; C71-C80 WeakPolarHBondContact CB-SG 3.46Å; C71-C80 PolarHBondContact N-SG 3.42Å; C71-C80 VanDerWaalsContact N-SG 3.38Å; C71-C80 WeakPolarHBondContact SG-CB 3.02Å; C71-C80 CovalentContact SG-SG 2.04Å; C71-C80 PolarHBondContact SG-SG 2.95Å; C71-N84 WeakPolarHBondContact CA-OD1 3.5Å
72	S	54.4	Low	62.3	Low	100 Å²	100	57.3 Å²	57.3	70%	0.699	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.6	-170.5	-64	0	0	0	0	114.3	N84	S72-N84 PolarHBondContact N-OD1 3.28Å
73	F	55.3	Low	62.6	Low	171 Å²	171	54.9 Å²	54.9	75%	0.75	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-4.5	179.5	-55	-76.7	0	0	0	113.5	C71 T96	C71-F73 PolarHBondContact O-N 3.49Å; C71-F73 VanDerWaalsContact O-N 3.14Å; F73-T96 HydrophobicContact CB-CG2 4.12Å
74	G	53.1	Low	62.3	Low	35 Å²	35	56 Å²	56	36%	0.361	34%	0.342	S	S	.	.			trans	72.7	159.3	-171.2	0	0	0	0	0	113.8	C71	C71-G74 PolarHBondContact O-N 2.98Å
75	C	57.2	Low	62.5	Low	11 Å²	11	56.9 Å²	56.9	7%	0.074	34%	0.342	C	S	.	.			trans	-101.1	3.6	-175.2	-69	0	0	0	0	115.4	C71 S77 G78 C80 C86 C97	C71-C75 PolarHBondContact SG-SG 3.21Å; C75-S77 PolarHBondContact O-N 3.44Å; C75-G78 VanDerWaalsContact CB-O 3.27Å; C75-G78 WeakPolarHBondContact CB-O 3.01Å; C75-G78 PolarHBondContact O-N 3.24Å; C75-C80 PolarHBondContact SG-SG 2.99Å; C75-C86 WeakPolarHBondContact CA-SG 3.46Å; C75-C86 HydrophobicContact CB-CB 3.65Å; C75-C86 WeakPolarHBondContact CB-SG 3.24Å; C75-C86 VanDerWaalsContact SG-CA 3.57Å; C75-C86 WeakPolarHBondContact SG-CB 3.12Å; C75-C86 CovalentContact SG-SG 2.03Å; C75-C86 PolarHBondContact SG-SG 2.94Å; C75-C97 VanDerWaalsContact O-CB 3.27Å; C75-C97 WeakPolarHBondContact O-CB 3.41Å; C75-C97 PolarHBondContact O-N 2.85Å
76	G	66.8	Low	62.6	Low	57 Å²	57	53.3 Å²	53.3	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-121.8	-169.3	0	0	0	0	0	110.7	G78	G76-G78 VanDerWaalsContact C-N 3.29Å; G76-G78 PolarHBondContact O-N 2.98Å
77	S	61.7	Low	62.5	Low	35 Å²	35	55.1 Å²	55.1	25%	0.245	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.1	176.5	61.5	0	0	0	0	115.1	C75 Q89 E99	C75-S77 PolarHBondContact O-N 3.44Å; S77-Q89 PolarHBondContact O-NE2 3.12Å; S77-E99 WeakPolarHBondContact CB-OE1 3.34Å; S77-E99 PolarHBondContact N-OE1 3.22Å
78	G	69.8	Low	63.1	Low	14 Å²	14	52.8 Å²	52.8	14%	0.144	32%	0.324	C	S	.	.	S	Bend	trans	-89.4	176.3	-178.3	0	0	0	0	0	114.8	C75 G76 S87	C75-G78 VanDerWaalsContact CB-O 3.27Å; C75-G78 WeakPolarHBondContact CB-O 3.01Å; C75-G78 PolarHBondContact O-N 3.24Å; G76-G78 VanDerWaalsContact C-N 3.29Å; G76-G78 PolarHBondContact O-N 2.98Å; G78-S87 CarbonylContact C-O 3.55Å; G78-S87 WeakPolarHBondContact CA-O 3.29Å
79	I	64.3	Low	63.2	Low	127 Å²	127	56 Å²	56	65%	0.651	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.9	180	-56.7	177.2	0	0	0	109.4	I81 S87	I79-I81 PolarHBondContact O-N 3.43Å; I79-S87 PolarHBondContact N-O 2.84Å; I79-S87 PolarHBondContact O-N 3.27Å
80	C	68.4	Low	63.7	Low	35 Å²	35	61.6 Å²	61.6	24%	0.236	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	121.8	170.2	-68.9	0	0	0	0	110.1	P69 C71 C75	P69-C80 HydrophobicContact CB-CB 4.22Å; P69-C80 HydrophobicContact CG-CB 3.82Å; P69-C80 VanDerWaalsContact CG-O 3.23Å; P69-C80 WeakPolarHBondContact CG-O 3.42Å; C71-C80 WeakPolarHBondContact CB-SG 3.46Å; C71-C80 PolarHBondContact N-SG 3.42Å; C71-C80 VanDerWaalsContact N-SG 3.38Å; C71-C80 WeakPolarHBondContact SG-CB 3.02Å; C71-C80 CovalentContact SG-SG 2.04Å; C71-C80 PolarHBondContact SG-SG 2.95Å; C75-C80 PolarHBondContact SG-SG 2.99Å
81	I	70.1	Confident	63.7	Low	80 Å²	80	60.3 Å²	60.3	41%	0.41	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-25.1	174.2	54.2	163.1	0	0	0	112.4	I79 V85 Q93	I79-I81 PolarHBondContact O-N 3.43Å; I81-V85 HydrophobicContact CD1-CG1 4.15Å; I81-V85 HydrophobicContact CG1-CB 4.45Å; I81-V85 HydrophobicContact CG1-CG1 4.02Å; I81-V85 WeakPolarHBondContact CG1-O 3.4Å; I81-V85 PolarHBondContact N-O 3.02Å; I81-Q93 HydrophobicContact CD1-CG 4.17Å
82	A	57.9	Low	63.6	Low	33 Å²	33	66.3 Å²	66.3	27%	0.273	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	172	169.1	0	0	0	0	0	109.4	N84 V85	A82-N84 PolarHBondContact O-N 2.03Å; A82-V85 HydrophobicContact CB-CB 4.01Å; A82-V85 HydrophobicContact CB-CG2 4.17Å; A82-V85 PolarHBondContact N-O 2.91Å; A82-V85 PolarHBondContact O-N 2.86Å
83	P	60.5	Low	64	Low	44 Å²	44	67.8 Å²	67.8	29%	0.286	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	121.2	-178.8	-27.3	36.6	0	0	0	112.5	G56 W57 L70 V85	G56-P83 WeakPolarHBondContact O-CG 3.43Å; W57-P83 HydrophobicContact CD2-CG 4.35Å; W57-P83 HydrophobicContact CG-CG 4.48Å; W57-P83 HydrophobicContact CZ2-CG 4.01Å; W57-P83 VanDerWaalsContact NE1-CG 3.29Å; L70-P83 WeakPolarHBondContact O-CA 3.48Å; P83-V85 PolarHBondContact O-N 2.7Å
84	N	57.6	Low	64.4	Low	68 Å²	68	60.9 Å²	60.9	36%	0.364	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	24.5	-172.2	-57.8	-40.7	0	0	0	115	L70 C71 S72 A82	L70-N84 PolarHBondContact O-N 3.03Å; C71-N84 WeakPolarHBondContact CA-OD1 3.5Å; S72-N84 PolarHBondContact N-OD1 3.28Å; A82-N84 PolarHBondContact O-N 2.03Å
85	V	64.8	Low	64.4	Low	48 Å²	48	62.1 Å²	62.1	29%	0.291	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	110.7	173	-174.2	0	0	0	0	109.4	I81 A82 P83 Q93	I81-V85 HydrophobicContact CD1-CG1 4.15Å; I81-V85 HydrophobicContact CG1-CB 4.45Å; I81-V85 HydrophobicContact CG1-CG1 4.02Å; I81-V85 WeakPolarHBondContact CG1-O 3.4Å; I81-V85 PolarHBondContact N-O 3.02Å; A82-V85 HydrophobicContact CB-CB 4.01Å; A82-V85 HydrophobicContact CB-CG2 4.17Å; A82-V85 PolarHBondContact N-O 2.91Å; A82-V85 PolarHBondContact O-N 2.86Å; P83-V85 PolarHBondContact O-N 2.7Å; V85-Q93 HydrophobicContact CG1-CB 4.39Å
86	C	69.6	Low	64.4	Low	0 Å²	0	65.4 Å²	65.4	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.7	176.5	-58.9	0	0	0	0	110.2	C75 Q93 G94 A95	C75-C86 WeakPolarHBondContact CA-SG 3.46Å; C75-C86 HydrophobicContact CB-CB 3.65Å; C75-C86 WeakPolarHBondContact CB-SG 3.24Å; C75-C86 VanDerWaalsContact SG-CA 3.57Å; C75-C86 WeakPolarHBondContact SG-CB 3.12Å; C75-C86 CovalentContact SG-SG 2.03Å; C75-C86 PolarHBondContact SG-SG 2.94Å; C86-Q93 WeakPolarHBondContact O-CA 3Å; C86-G94 WeakPolarHBondContact CB-O 2.96Å; C86-G94 PolarHBondContact N-O 3.33Å; C86-G94 PolarHBondContact O-N 2.77Å; C86-G94 VanDerWaalsContact O-N 3.12Å; C86-A95 PolarHBondContact SG-O 2.97Å
87	S	68.3	Low	64.4	Low	39 Å²	39	63.2 Å²	63.2	27%	0.273	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.4	161.4	-170.4	0	0	0	0	108.3	G78 I79	G78-S87 CarbonylContact C-O 3.55Å; G78-S87 WeakPolarHBondContact CA-O 3.29Å; I79-S87 PolarHBondContact N-O 2.84Å; I79-S87 PolarHBondContact O-N 3.27Å
88	C	74.9	Confident	64.2	Low	10 Å²	10	66.4 Å²	66.4	7%	0.068	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-88.2	160.5	179.6	-52.8	0	0	0	0	111.2	D90 G91 E92 C97	C88-D90 PolarHBondContact O-N 3.25Å; C88-G91 PolarHBondContact O-N 2.92Å; C88-E92 WeakPolarHBondContact CB-O 3.46Å; C88-E92 PolarHBondContact N-O 2.04Å; C88-C97 WeakPolarHBondContact CA-SG 3.27Å; C88-C97 HydrophobicContact CB-CB 3.77Å; C88-C97 WeakPolarHBondContact CB-SG 3.39Å; C88-C97 WeakPolarHBondContact SG-CA 3.48Å; C88-C97 WeakPolarHBondContact SG-CB 3.04Å; C88-C97 CovalentContact SG-SG 2.04Å; C88-C97 PolarHBondContact SG-SG 3.02Å
89	Q	69	Low	63.3	Low	154 Å²	154	70.7 Å²	70.7	72%	0.72	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.1	-176.7	-61.4	-171.8	15.8	0	0	112.4	S77 G91	S77-Q89 PolarHBondContact O-NE2 3.12Å; Q89-G91 VanDerWaalsContact C-N 3.25Å; Q89-G91 PolarHBondContact O-N 3.12Å
90	D	67.7	Low	62.6	Low	135 Å²	135	71 Å²	71	72%	0.722	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.7	174.5	-49.4	-69.6	0	0	0	113.8	C88	C88-D90 PolarHBondContact O-N 3.25Å
91	G	60.6	Low	61.7	Low	53 Å²	53	78 Å²	78	55%	0.546	45%	0.447	S	S	.	.	S	Bend	trans	91.5	-14	178.8	0	0	0	0	0	115.5	C88 Q89	C88-G91 PolarHBondContact O-N 2.92Å; Q89-G91 VanDerWaalsContact C-N 3.25Å; Q89-G91 PolarHBondContact O-N 3.12Å
92	E	63	Low	60.5	Low	143 Å²	143	75.5 Å²	75.5	67%	0.668	44%	0.441	S	S	*	.			trans	-66.6	155.7	173.6	-66.5	-61.2	157.9	0	0	112.5	C88	C88-E92 WeakPolarHBondContact CB-O 3.46Å; C88-E92 PolarHBondContact N-O 2.04Å
93	Q	64.4	Low	59.9	Low	131 Å²	131	80.8 Å²	80.8	61%	0.612	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.7	178.7	-64	179.9	30.7	0	0	111.2	I81 V85 C86	I81-Q93 HydrophobicContact CD1-CG 4.17Å; V85-Q93 HydrophobicContact CG1-CB 4.39Å; C86-Q93 WeakPolarHBondContact O-CA 3Å
94	G	62.7	Low	59.1	Low	27 Å²	27	81.1 Å²	81.1	28%	0.278	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	178.4	-176.2	0	0	0	0	0	113.8	C86 T96	C86-G94 WeakPolarHBondContact CB-O 2.96Å; C86-G94 PolarHBondContact N-O 3.33Å; C86-G94 PolarHBondContact O-N 2.77Å; C86-G94 VanDerWaalsContact O-N 3.12Å; G94-T96 VanDerWaalsContact C-N 3.33Å
95	A	53.4	Low	58.5	Low	61 Å²	61	80.8 Å²	80.8	50%	0.504	49%	0.488	S	S	.	.	S	Bend	trans	-72.8	-27.8	178.2	0	0	0	0	0	113.2	C86	C86-A95 PolarHBondContact SG-O 2.97Å
96	T	56.8	Low	57.4	Low	80 Å²	80	87 Å²	87	49%	0.491	51%	0.514	S	S	.	.	S	Bend	trans	-144.3	161.7	170.7	58.8	0	0	0	0	107.6	F73 G94	F73-T96 HydrophobicContact CB-CG2 4.12Å; G94-T96 VanDerWaalsContact C-N 3.33Å
97	C	66.5	Low	56.2	Low	10 Å²	10	96 Å²	96	7%	0.068	55%	0.549	C	S	.	.			trans	-102.5	138.4	173.8	-64	0	0	0	0	111.7	C75 C88 E99	C75-C97 VanDerWaalsContact O-CB 3.27Å; C75-C97 WeakPolarHBondContact O-CB 3.41Å; C75-C97 PolarHBondContact O-N 2.85Å; C88-C97 WeakPolarHBondContact CA-SG 3.27Å; C88-C97 HydrophobicContact CB-CB 3.77Å; C88-C97 WeakPolarHBondContact CB-SG 3.39Å; C88-C97 WeakPolarHBondContact SG-CA 3.48Å; C88-C97 WeakPolarHBondContact SG-CB 3.04Å; C88-C97 CovalentContact SG-SG 2.04Å; C88-C97 PolarHBondContact SG-SG 3.02Å; C97-E99 PolarHBondContact O-N 3.43Å; C97-E99 VanDerWaalsContact O-N 3.11Å
98	P	57.7	Low	55	Low	102 Å²	102	97.7 Å²	97.7	66%	0.662	57%	0.573	S	S	*	*			trans	-72.9	103	178.3	29.6	-33.8	0	0	0	110.8	T100	P98-T100 PolarHBondContact O-N 3.44Å
99	E	52	Low	53.7	Low	105 Å²	105	99.4 Å²	99.4	49%	0.491	58%	0.584	S	S	.	*			trans	-76.5	119.1	166.3	-74.3	-166.1	143.4	0	0	110.3	S77 C97 H101 G102	S77-E99 WeakPolarHBondContact CB-OE1 3.34Å; S77-E99 PolarHBondContact N-OE1 3.22Å; C97-E99 PolarHBondContact O-N 3.43Å; C97-E99 VanDerWaalsContact O-N 3.11Å; E99-H101 PolarHBondContact O-N 3.11Å; E99-G102 PolarHBondContact O-N 3.27Å
100	T	49.3	Very low	52.3	Low	132 Å²	132	97.8 Å²	97.8	81%	0.81	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-17.2	179.4	48.9	0	0	0	0	114.1	P98	P98-T100 PolarHBondContact O-N 3.44Å
101	H	49.8	Very low	51.3	Low	183 Å²	183	96 Å²	96	85%	0.847	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.6	43.9	177.7	-68.3	-54.6	0	0	0	113.8	E99	E99-H101 PolarHBondContact O-N 3.11Å
102	G	43.8	Very low	50.3	Low	27 Å²	27	99.3 Å²	99.3	28%	0.278	58%	0.581	S	S	.	*			trans	-85.3	152.8	164.8	0	0	0	0	0	112.6	E99 C104	E99-G102 PolarHBondContact O-N 3.27Å; G102-C104 PolarHBondContact O-N 3.46Å
103	P	46.3	Very low	49.1	Very low	145 Å²	145	96 Å²	96	94%	0.942	57%	0.572	S	S	*	*	S	Bend	trans	-80.3	10.9	-179.9	34.1	-37	0	0	0	114.5
104	C	43.2	Very low	47.7	Very low	50 Å²	50	96.7 Å²	96.7	34%	0.338	58%	0.58	S	S	.	*	S	Bend	trans	-122.5	137.8	174.6	-154.5	0	0	0	0	108.8	G102 G108 C109	G102-C104 PolarHBondContact O-N 3.46Å; C104-G108 VanDerWaalsContact SG-C 3.56Å; C104-C109 HydrophobicContact CB-CB 4.19Å; C104-C109 WeakPolarHBondContact CB-SG 3.39Å; C104-C109 VanDerWaalsContact SG-CA 3.6Å; C104-C109 WeakPolarHBondContact SG-CB 3.4Å; C104-C109 PolarHBondContact SG-N 3.06Å; C104-C109 CovalentContact SG-SG 2.04Å; C104-C109 PolarHBondContact SG-SG 3.23Å
105	G	43.7	Very low	46.4	Very low	62 Å²	62	105 Å²	105	64%	0.639	61%	0.611	S	S	*	*			trans	-85.7	-161.6	-173.6	0	0	0	0	0	114.1	Y107	G105-Y107 PolarHBondContact O-N 3.46Å
106	E	42.7	Very low	45.6	Very low	179 Å²	179	105.4 Å²	105.4	84%	0.836	62%	0.622	S	S	*	*	S	Bend	trans	-56.7	-17.7	-177.9	-167.3	167.6	-168.4	0	0	114.7
107	Y	45.2	Very low	44.4	Very low	187 Å²	187	105.1 Å²	105.1	73%	0.733	64%	0.635	S	S	*	*	S	Bend	trans	-121.3	125.3	171.7	-56.9	-79.7	0	0	0	109.2	G105	G105-Y107 PolarHBondContact O-N 3.46Å
108	G	43.3	Very low	43.2	Very low	76 Å²	76	107.7 Å²	107.7	78%	0.784	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-74	170.2	-159.9	0	0	0	0	0	116.5	C104	C104-G108 VanDerWaalsContact SG-C 3.56Å
109	C	45.9	Very low	42.4	Very low	45 Å²	45	111.5 Å²	111.5	30%	0.304	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-97.8	132.4	-177.1	-73.1	0	0	0	0	110.8	C104 V121	C104-C109 HydrophobicContact CB-CB 4.19Å; C104-C109 WeakPolarHBondContact CB-SG 3.39Å; C104-C109 VanDerWaalsContact SG-CA 3.6Å; C104-C109 WeakPolarHBondContact SG-CB 3.4Å; C104-C109 PolarHBondContact SG-N 3.06Å; C104-C109 CovalentContact SG-SG 2.04Å; C104-C109 PolarHBondContact SG-SG 3.23Å; C109-V121 HydrophobicContact CB-CG1 4Å; C109-V121 WeakPolarHBondContact SG-CG1 3Å
110	D	40.1	Very low	42	Very low	120 Å²	120	115.1 Å²	115.1	64%	0.642	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-71.5	135.1	169	-174	16.7	0	0	0	110.4
111	L	47.1	Very low	41.9	Very low	99 Å²	99	112 Å²	112	52%	0.518	66%	0.659	S	S	.	*			trans	-147.5	82.4	-174.3	-71.7	178.6	0	0	0	110.7	C113 C118	L111-C113 PolarHBondContact O-N 3.14Å; L111-C118 HydrophobicContact CD2-CB 4.09Å
112	T	38.3	Very low	41.7	Very low	122 Å²	122	106.5 Å²	106.5	75%	0.748	64%	0.644	S	S	*	*			trans	-71.7	63.4	170.5	52.9	0	0	0	0	112.3	N114	T112-N114 PolarHBondContact O-N 3.16Å; T112-N114 VanDerWaalsContact O-N 3.13Å
113	C	38.9	Very low	42.3	Very low	72 Å²	72	113.6 Å²	113.6	49%	0.486	66%	0.663	S	S	.	*			trans	-80.3	91.5	-172.6	-128.3	0	0	0	0	112.7	L111 C118	L111-C113 PolarHBondContact O-N 3.14Å; C113-C118 VanDerWaalsContact CA-SG 3.52Å; C113-C118 WeakPolarHBondContact CB-SG 3.04Å; C113-C118 WeakPolarHBondContact SG-CB 3.26Å; C113-C118 CovalentContact SG-SG 2.04Å; C113-C118 PolarHBondContact SG-SG 3.44Å
114	N	34.3	Very low	42.9	Very low	147 Å²	147	112.3 Å²	112.3	79%	0.786	65%	0.652	S	S	*	*			trans	-97.6	109.1	172.5	-95.4	-59.4	0	0	0	112.1	T112 G116	T112-N114 PolarHBondContact O-N 3.16Å; T112-N114 VanDerWaalsContact O-N 3.13Å; N114-G116 PolarHBondContact O-N 3.05Å
115	H	35.2	Very low	43.8	Very low	201 Å²	201	110.8 Å²	110.8	93%	0.931	64%	0.642	S	S	*	*	S	Bend	trans	60	31.2	161.7	-88.6	77.7	0	0	0	118.8
116	G	36.5	Very low	44.6	Very low	70 Å²	70	111.7 Å²	111.7	72%	0.722	64%	0.636	S	S	*	*	S	Bend	trans	133.5	106.2	150.5	0	0	0	0	0	115.7	N114	N114-G116 PolarHBondContact O-N 3.05Å
117	G	32.6	Very low	45.6	Very low	74 Å²	74	110 Å²	110	76%	0.763	64%	0.638	S	S	*	*			trans	89.6	112.3	176	0	0	0	0	0	112.8
118	C	40.7	Very low	46.5	Very low	63 Å²	63	101.5 Å²	101.5	43%	0.426	61%	0.607	S	S	.	*			trans	-100.2	122.6	165.2	-88.4	0	0	0	0	108.8	L111 C113	L111-C118 HydrophobicContact CD2-CB 4.09Å; C113-C118 VanDerWaalsContact CA-SG 3.52Å; C113-C118 WeakPolarHBondContact CB-SG 3.04Å; C113-C118 WeakPolarHBondContact SG-CB 3.26Å; C113-C118 CovalentContact SG-SG 2.04Å; C113-C118 PolarHBondContact SG-SG 3.44Å
119	Q	42.3	Very low	47.8	Very low	182 Å²	182	100.8 Å²	100.8	85%	0.85	58%	0.583	S	S	*	*			trans	-134.5	136.3	178.1	-176.1	92	31.1	0	0	107.3
120	E	42	Very low	49.2	Very low	181 Å²	181	100.7 Å²	100.7	85%	0.846	58%	0.582	S	S	*	*			trans	69.7	110.1	-172.6	-52.3	-158.9	144.5	0	0	115.2
121	V	47.9	Very low	50.6	Low	68 Å²	68	100.4 Å²	100.4	41%	0.412	58%	0.579	S	S	.	*			trans	-86.8	115.8	173.4	168.2	0	0	0	0	108.8	C109 R123	C109-V121 HydrophobicContact CB-CG1 4Å; C109-V121 WeakPolarHBondContact SG-CG1 3Å; V121-R123 HydrophobicContact CG1-CG 4.23Å; V121-R123 PolarHBondContact O-N 2.04Å
122	A	46.2	Very low	51.7	Low	66 Å²	66	98 Å²	98	55%	0.545	57%	0.568	S	S	.	*			trans	-73	110.5	165.8	0	0	0	0	0	109.2	V124	A122-V124 HydrophobicContact CB-CG2 4.25Å
123	R	55.8	Low	52.9	Low	176 Å²	176	100.6 Å²	100.6	66%	0.664	57%	0.572	S	S	*	*			trans	-83.3	114.9	173.3	-58.4	-173.8	-170	100.9	0.1	108.7	V121 I138	V121-R123 HydrophobicContact CG1-CG 4.23Å; V121-R123 PolarHBondContact O-N 2.04Å; R123-I138 HydrophobicContact CB-CD1 3.85Å; R123-I138 HydrophobicContact CG-CD1 4.48Å
124	V	58.1	Low	53.8	Low	119 Å²	119	100.2 Å²	100.2	72%	0.721	57%	0.567	S	S	*	*			trans	-134.5	129.9	-174.9	-175.2	0	0	0	0	108.5	A122	A122-V124 HydrophobicContact CB-CG2 4.25Å
125	C	62.6	Low	54.8	Low	18 Å²	18	98.7 Å²	98.7	12%	0.122	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-79.4	154.4	171	-74.1	0	0	0	0	111	F129 M131 C140	C125-F129 HydrophobicContact CB-CB 4.02Å; C125-M131 HydrophobicContact CB-CG 4.22Å; C125-M131 WeakPolarHBondContact SG-CG 3.46Å; C125-C140 VanDerWaalsContact CA-SG 3.54Å; C125-C140 HydrophobicContact CB-CB 3.92Å; C125-C140 WeakPolarHBondContact CB-SG 3.07Å; C125-C140 WeakPolarHBondContact SG-CA 3.24Å; C125-C140 WeakPolarHBondContact SG-CB 3.25Å; C125-C140 CovalentContact SG-SG 2.04Å; C125-C140 PolarHBondContact SG-SG 3.2Å
126	P	61.1	Low	55.6	Low	80 Å²	80	96.2 Å²	96.2	52%	0.519	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-56.5	155.6	170.1	-21.8	33.2	0	0	0	112.1	F129	P126-F129 HydrophobicContact CB-CD2 3.93Å; P126-F129 HydrophobicContact CB-CE2 4.42Å; P126-F129 HydrophobicContact CG-CD2 4.42Å; P126-F129 WeakPolarHBondContact O-CB 3.44Å; P126-F129 PolarHBondContact O-N 3.19Å; P126-F129 VanDerWaalsContact O-N 3.09Å
127	V	64.2	Low	56.5	Low	144 Å²	144	94.6 Å²	94.6	87%	0.873	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	139.8	171.5	-175.5	0	0	0	0	109.1
128	G	63.9	Low	57.9	Low	9 Å²	9	94.2 Å²	94.2	9%	0.093	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-5.5	-170.5	0	0	0	0	0	114.5	I143	G128-I143 WeakPolarHBondContact O-CB 3.19Å; G128-I143 WeakPolarHBondContact O-CG1 3.27Å; G128-I143 PolarHBondContact O-N 3.1Å
129	F	70.6	Confident	59.1	Low	60 Å²	60	98.2 Å²	98.2	26%	0.263	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.1	-179.9	-64.1	-98.6	0	0	0	113.4	C125 P126 C140 T141 D142 E159	C125-F129 HydrophobicContact CB-CB 4.02Å; P126-F129 HydrophobicContact CB-CD2 3.93Å; P126-F129 HydrophobicContact CB-CE2 4.42Å; P126-F129 HydrophobicContact CG-CD2 4.42Å; P126-F129 WeakPolarHBondContact O-CB 3.44Å; P126-F129 PolarHBondContact O-N 3.19Å; P126-F129 VanDerWaalsContact O-N 3.09Å; F129-C140 HydrophobicContact CB-CB 4Å; F129-C140 HydrophobicContact CD1-CB 4.26Å; F129-C140 HydrophobicContact CG-CB 4.39Å; F129-T141 CarbonylContact C-O 3.57Å; F129-T141 WeakPolarHBondContact CA-O 3.27Å; F129-D142 HydrophobicContact CD1-CB 4.3Å; F129-D142 HydrophobicContact CE1-CB 4.08Å; F129-E159 HydrophobicContact CZ-CB 4.4Å
130	S	75.7	Confident	60.5	Low	43 Å²	43	91.9 Å²	91.9	30%	0.301	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	145.4	174.2	56.5	0	0	0	0	111.7	C140 T141	S130-C140 CarbonylContact O-C 3.5Å; S130-C140 WeakPolarHBondContact O-CA 3.05Å; S130-T141 PolarHBondContact N-O 3.34Å; S130-T141 PolarHBondContact O-N 3.12Å; S130-T141 PolarHBondContact O-OG1 3.44Å; S130-T141 PolarHBondContact OG-O 3.12Å; S130-T141 PolarHBondContact OG-OG1 3.39Å
131	M	68.2	Low	62.2	Low	114 Å²	114	84.7 Å²	84.7	56%	0.562	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.7	173.4	-73.4	-169.4	-66.9	0	0	110.7	C125 I138	C125-M131 HydrophobicContact CB-CG 4.22Å; C125-M131 WeakPolarHBondContact SG-CG 3.46Å; M131-I138 HydrophobicContact CB-CG2 3.87Å; M131-I138 HydrophobicContact CG-CG2 3.72Å; M131-I138 HydrophobicContact SD-CD1 4.08Å; M131-I138 HydrophobicContact SD-CG2 3.99Å
132	T	70.6	Confident	63.7	Low	48 Å²	48	83.9 Å²	83.9	29%	0.294	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.9	164.8	55.7	0	0	0	0	109.9	R139 T141	T132-R139 PolarHBondContact N-O 2.86Å; T132-R139 PolarHBondContact O-N 3.26Å; T132-R139 PolarHBondContact OG1-O 3.47Å; T132-T141 HydrophobicContact CG2-CG2 4.29Å; T132-T141 VanDerWaalsContact CG2-OG1 3.3Å; T132-T141 WeakPolarHBondContact CG2-OG1 3.34Å
133	E	62.4	Low	65.3	Low	177 Å²	177	83.9 Å²	83.9	83%	0.827	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.4	177.1	-170.3	165.6	-141.9	0	0	110.2
134	T	58.8	Low	66.3	Low	64 Å²	64	79.2 Å²	79.2	39%	0.393	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	161.4	-179.8	71.3	0	0	0	0	110.1	V136 G137 R139	T134-V136 PolarHBondContact O-N 3.28Å; T134-G137 PolarHBondContact N-O 3.36Å; T134-G137 PolarHBondContact O-N 2.95Å; T134-G137 VanDerWaalsContact O-O 3.13Å; T134-G137 PolarHBondContact OG1-O 3.06Å; T134-R139 HydrophobicContact CG2-CB 4.47Å
135	A	54.8	Low	67.4	Low	115 Å²	115	75.2 Å²	75.2	95%	0.95	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-1.1	-176.6	0	0	0	0	0	115.6
136	V	51.5	Low	68.1	Low	149 Å²	149	76.2 Å²	76.2	90%	0.903	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-10.9	176.6	-167.5	0	0	0	0	111.8	T134	T134-V136 PolarHBondContact O-N 3.28Å
137	G	57.3	Low	69	Low	36 Å²	36	78.2 Å²	78.2	37%	0.371	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-175.3	-179.9	0	0	0	0	0	113.8	T134	T134-G137 PolarHBondContact N-O 3.36Å; T134-G137 PolarHBondContact O-N 2.95Å; T134-G137 VanDerWaalsContact O-O 3.13Å; T134-G137 PolarHBondContact OG1-O 3.06Å
138	I	61.7	Low	69.1	Low	66 Å²	66	76.2 Å²	76.2	34%	0.338	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.1	171.1	-58.5	-179	0	0	0	108.5	R123 M131	R123-I138 HydrophobicContact CB-CD1 3.85Å; R123-I138 HydrophobicContact CG-CD1 4.48Å; M131-I138 HydrophobicContact CB-CG2 3.87Å; M131-I138 HydrophobicContact CG-CG2 3.72Å; M131-I138 HydrophobicContact SD-CD1 4.08Å; M131-I138 HydrophobicContact SD-CG2 3.99Å
139	R	66.2	Low	68.9	Low	147 Å²	147	77.6 Å²	77.6	56%	0.555	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.4	172.9	-168.6	179.8	70.3	105.2	0.4	109.5	T132 T134 T141	T132-R139 PolarHBondContact N-O 2.86Å; T132-R139 PolarHBondContact O-N 3.26Å; T132-R139 PolarHBondContact OG1-O 3.47Å; T134-R139 HydrophobicContact CG2-CB 4.47Å; R139-T141 VanDerWaalsContact CZ-CG2 3.48Å; R139-T141 PolarHBondContact O-N 3.3Å
140	C	71.8	Confident	68.5	Low	50 Å²	50	80.2 Å²	80.2	34%	0.338	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	126.8	171.7	-56.8	0	0	0	0	109.4	C125 F129 S130	C125-C140 VanDerWaalsContact CA-SG 3.54Å; C125-C140 HydrophobicContact CB-CB 3.92Å; C125-C140 WeakPolarHBondContact CB-SG 3.07Å; C125-C140 WeakPolarHBondContact SG-CA 3.24Å; C125-C140 WeakPolarHBondContact SG-CB 3.25Å; C125-C140 CovalentContact SG-SG 2.04Å; C125-C140 PolarHBondContact SG-SG 3.2Å; F129-C140 HydrophobicContact CB-CB 4Å; F129-C140 HydrophobicContact CD1-CB 4.26Å; F129-C140 HydrophobicContact CG-CB 4.39Å; S130-C140 CarbonylContact O-C 3.5Å; S130-C140 WeakPolarHBondContact O-CA 3.05Å
141	T	77.4	Confident	68.2	Low	29 Å²	29	79.2 Å²	79.2	18%	0.178	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.2	173.6	35.7	0	0	0	0	109.6	F129 S130 T132 R139 I143	F129-T141 CarbonylContact C-O 3.57Å; F129-T141 WeakPolarHBondContact CA-O 3.27Å; S130-T141 PolarHBondContact N-O 3.34Å; S130-T141 PolarHBondContact O-N 3.12Å; S130-T141 PolarHBondContact O-OG1 3.44Å; S130-T141 PolarHBondContact OG-O 3.12Å; S130-T141 PolarHBondContact OG-OG1 3.39Å; T132-T141 HydrophobicContact CG2-CG2 4.29Å; T132-T141 VanDerWaalsContact CG2-OG1 3.3Å; T132-T141 WeakPolarHBondContact CG2-OG1 3.34Å; R139-T141 VanDerWaalsContact CZ-CG2 3.48Å; R139-T141 PolarHBondContact O-N 3.3Å; T141-I143 PolarHBondContact O-N 3.18Å
142	D	78.1	Confident	68.3	Low	52 Å²	52	80.2 Å²	80.2	28%	0.278	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49	137	176.1	-169.4	59.2	0	0	0	111.8	F129 N157 E159 G160	F129-D142 HydrophobicContact CD1-CB 4.3Å; F129-D142 HydrophobicContact CE1-CB 4.08Å; D142-N157 PolarHBondContact OD2-ND2 2.9Å; D142-E159 WeakPolarHBondContact OD1-CA 3.34Å; D142-G160 PolarHBondContact OD1-N 2.82Å
143	I	80.8	Confident	68.3	Low	66 Å²	66	79.1 Å²	79.1	34%	0.338	47%	0.47	S	S	.	.			trans	-91.9	109.2	177.1	-59.8	173.1	0	0	0	107.2	G128 T141 E145 N157	G128-I143 WeakPolarHBondContact O-CB 3.19Å; G128-I143 WeakPolarHBondContact O-CG1 3.27Å; G128-I143 PolarHBondContact O-N 3.1Å; T141-I143 PolarHBondContact O-N 3.18Å; I143-E145 VanDerWaalsContact C-N 3.29Å; I143-E145 HydrophobicContact CG2-CG 4.07Å; I143-E145 PolarHBondContact O-N 3.38Å; I143-N157 PolarHBondContact O-OD1 3.46Å
144	D	77.2	Confident	69	Low	77 Å²	77	76.8 Å²	76.8	41%	0.412	46%	0.459	S	S	.	.			trans	-68.7	88.7	174	-169.7	-22.8	0	0	0	110.4	C146 V147 N157	D144-C146 PolarHBondContact O-N 3.42Å; D144-C146 WeakPolarHBondContact OD1-CA 3.46Å; D144-C146 VanDerWaalsContact OD1-CB 3.28Å; D144-C146 WeakPolarHBondContact OD1-CB 3.42Å; D144-C146 PolarHBondContact OD1-N 3.19Å; D144-V147 HydrophobicContact CB-CG2 4.04Å; D144-V147 WeakPolarHBondContact O-CB 3.42Å; D144-V147 PolarHBondContact O-N 2.94Å; D144-V147 VanDerWaalsContact O-N 3.15Å; D144-V147 PolarHBondContact OD1-N 2.04Å; D144-N157 WeakPolarHBondContact CA-OD1 3.03Å
145	E	80.8	Confident	70	Confident	35 Å²	35	75.1 Å²	75.1	16%	0.164	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-70.9	-16.3	-178.9	-68.5	126.8	168.6	0	0	111.6	I143 V147 S148 S149 N157 G161 F162	I143-E145 VanDerWaalsContact C-N 3.29Å; I143-E145 HydrophobicContact CG2-CG 4.07Å; I143-E145 PolarHBondContact O-N 3.38Å; E145-V147 PolarHBondContact O-N 3.44Å; E145-S148 PolarHBondContact O-N 3.44Å; E145-S148 VanDerWaalsContact O-N 3.09Å; E145-S148 PolarHBondContact O-OG 2.03Å; E145-S149 WeakPolarHBondContact O-CB 3.49Å; E145-S149 PolarHBondContact O-N 3.01Å; E145-S149 PolarHBondContact O-OG 2.96Å; E145-N157 PolarHBondContact N-OD1 3.32Å; E145-G161 WeakPolarHBondContact OE2-CA 3.01Å; E145-F162 HydrophobicContact CB-CB 4.19Å; E145-F162 HydrophobicContact CB-CD1 3.36Å; E145-F162 HydrophobicContact CB-CE1 3.81Å; E145-F162 HydrophobicContact CB-CG 3.88Å; E145-F162 HydrophobicContact CG-CD1 3.98Å; E145-F162 HydrophobicContact CG-CE1 4.32Å; E145-F162 VanDerWaalsContact OE2-CD1 3.31Å; E145-F162 WeakPolarHBondContact OE2-CD1 3.13Å; E145-F162 PolarHBondContact OE2-N 2.79Å
146	C	77.3	Confident	71.2	Confident	39 Å²	39	72 Å²	72	26%	0.264	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-69.5	-13.9	171.7	-62.3	0	0	0	0	113.3	D144 C155 V156 N157	D144-C146 PolarHBondContact O-N 3.42Å; D144-C146 WeakPolarHBondContact OD1-CA 3.46Å; D144-C146 VanDerWaalsContact OD1-CB 3.28Å; D144-C146 WeakPolarHBondContact OD1-CB 3.42Å; D144-C146 PolarHBondContact OD1-N 3.19Å; C146-C155 WeakPolarHBondContact CA-SG 3.23Å; C146-C155 HydrophobicContact CB-CB 3.62Å; C146-C155 WeakPolarHBondContact CB-SG 3.02Å; C146-C155 WeakPolarHBondContact SG-CB 3.45Å; C146-C155 CovalentContact SG-SG 2.03Å; C146-C155 PolarHBondContact SG-SG 2.03Å; C146-V156 PolarHBondContact SG-N 3.1Å; C146-N157 PolarHBondContact SG-N 2.87Å; C146-N157 VanDerWaalsContact SG-N 3.36Å
147	V	78.8	Confident	72.2	Confident	123 Å²	123	67.2 Å²	67.2	75%	0.745	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-81.1	-14.8	171.4	179.7	0	0	0	0	112.4	D144 E145	D144-V147 HydrophobicContact CB-CG2 4.04Å; D144-V147 WeakPolarHBondContact O-CB 3.42Å; D144-V147 PolarHBondContact O-N 2.94Å; D144-V147 VanDerWaalsContact O-N 3.15Å; D144-V147 PolarHBondContact OD1-N 2.04Å; E145-V147 PolarHBondContact O-N 3.44Å
148	S	66.2	Low	73	Confident	101 Å²	101	68.4 Å²	68.4	71%	0.706	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	-21	-172.5	63.3	0	0	0	0	116.4	E145	E145-S148 PolarHBondContact O-N 3.44Å; E145-S148 VanDerWaalsContact O-N 3.09Å; E145-S148 PolarHBondContact O-OG 2.03Å
149	S	60.3	Low	73.3	Confident	39 Å²	39	73.9 Å²	73.9	27%	0.273	41%	0.412	S	S	.	.			trans	-86.6	160.8	179.5	68.5	0	0	0	0	112.3	E145 F162	E145-S149 WeakPolarHBondContact O-CB 3.49Å; E145-S149 PolarHBondContact O-N 3.01Å; E145-S149 PolarHBondContact O-OG 2.96Å; S149-F162 WeakPolarHBondContact OG-CE2 3.05Å
150	S	62.8	Low	73.4	Confident	114 Å²	114	68.3 Å²	68.3	80%	0.797	40%	0.401	S	S	*	.			trans	-116.8	62.7	-177.1	-178.3	0	0	0	0	111.1
151	C	68.5	Low	73.5	Confident	22 Å²	22	66.8 Å²	66.8	15%	0.149	39%	0.393	C	S	.	.			trans	-51.9	140.1	163.6	-69.2	0	0	0	0	110.1	G153 C155 C164	C151-G153 VanDerWaalsContact C-N 3.31Å; C151-G153 WeakPolarHBondContact CB-O 3.38Å; C151-C155 HydrophobicContact CB-CB 4.19Å; C151-C155 VanDerWaalsContact SG-CB 3.52Å; C151-C164 HydrophobicContact CB-CB 3.78Å; C151-C164 WeakPolarHBondContact CB-SG 2.97Å; C151-C164 WeakPolarHBondContact SG-CB 3.48Å; C151-C164 CovalentContact SG-SG 2.04Å; C151-C164 PolarHBondContact SG-SG 2.87Å
152	E	70.5	Confident	73.5	Confident	135 Å²	135	67.6 Å²	67.6	63%	0.631	39%	0.394	S	S	*	.	S	Bend	trans	-78.4	-23.1	169.5	-166.3	173.9	-150.9	0	0	111.7	H177 C179	E152-H177 PolarHBondContact N-O 2.84Å; E152-C179 PolarHBondContact OE2-N 3.25Å
153	G	70.3	Confident	73.3	Confident	25 Å²	25	67.2 Å²	67.2	26%	0.258	39%	0.394	S	S	.	.	S	Bend	trans	-101.9	-160.8	173.1	0	0	0	0	0	114.2	C151 C155 E165	C151-G153 VanDerWaalsContact C-N 3.31Å; C151-G153 WeakPolarHBondContact CB-O 3.38Å; G153-C155 PolarHBondContact O-N 2.83Å; G153-E165 CarbonylContact C-O 3.57Å; G153-E165 WeakPolarHBondContact CA-O 3.42Å
154	H	78.4	Confident	73.2	Confident	128 Å²	128	64.2 Å²	64.2	59%	0.593	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	114.9	177.6	-179.2	-73.9	0	0	0	110.6	E165	H154-E165 HydrophobicContact CB-CB 4.49Å; H154-E165 PolarHBondContact N-O 3.03Å; H154-E165 PolarHBondContact O-N 2.92Å
155	C	79.4	Confident	73.1	Confident	30 Å²	30	66.1 Å²	66.1	20%	0.203	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.4	175.9	-166.2	0	0	0	0	111.5	C146 C151 G153	C146-C155 WeakPolarHBondContact CA-SG 3.23Å; C146-C155 HydrophobicContact CB-CB 3.62Å; C146-C155 WeakPolarHBondContact CB-SG 3.02Å; C146-C155 WeakPolarHBondContact SG-CB 3.45Å; C146-C155 CovalentContact SG-SG 2.03Å; C146-C155 PolarHBondContact SG-SG 2.03Å; C151-C155 HydrophobicContact CB-CB 4.19Å; C151-C155 VanDerWaalsContact SG-CB 3.52Å; G153-C155 PolarHBondContact O-N 2.83Å
156	V	79.2	Confident	73.1	Confident	49 Å²	49	66 Å²	66	30%	0.297	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.2	171.8	-176.6	0	0	0	0	108.2	C146 V163 E165	C146-V156 PolarHBondContact SG-N 3.1Å; V156-V163 PolarHBondContact N-O 2.84Å; V156-V163 PolarHBondContact O-N 2.78Å; V156-E165 HydrophobicContact CG2-CG 4.05Å
157	N	73.6	Confident	72.9	Confident	48 Å²	48	65.9 Å²	65.9	26%	0.257	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	142.5	177.5	-167	59.5	0	0	0	110.9	D142 I143 D144 E145 C146	D142-N157 PolarHBondContact OD2-ND2 2.9Å; I143-N157 PolarHBondContact O-OD1 3.46Å; D144-N157 WeakPolarHBondContact CA-OD1 3.03Å; E145-N157 PolarHBondContact N-OD1 3.32Å; C146-N157 PolarHBondContact SG-N 2.87Å; C146-N157 VanDerWaalsContact SG-N 3.36Å
158	T	73.4	Confident	72.6	Confident	62 Å²	62	66.1 Å²	66.1	38%	0.38	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.9	-179.3	58.1	0	0	0	0	110.5	G160 G161 V163	T158-G160 PolarHBondContact O-N 2.87Å; T158-G161 CarbonylContact C-O 3.56Å; T158-G161 VanDerWaalsContact C-O 3.27Å; T158-G161 VanDerWaalsContact CA-O 3.29Å; T158-G161 WeakPolarHBondContact CA-O 3.39Å; T158-G161 WeakPolarHBondContact CB-O 3Å; T158-G161 PolarHBondContact N-O 2.83Å; T158-G161 PolarHBondContact O-N 3.45Å; T158-G161 VanDerWaalsContact O-N 3.14Å; T158-G161 PolarHBondContact OG1-O 2.04Å; T158-V163 HydrophobicContact CG2-CG2 4.49Å
159	E	68.1	Low	72.8	Confident	181 Å²	181	62.6 Å²	62.6	85%	0.846	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	109.5	-175.6	-63.5	-176.4	160.2	0	0	111.4	F129 D142	F129-E159 HydrophobicContact CZ-CB 4.4Å; D142-E159 WeakPolarHBondContact OD1-CA 3.34Å
160	G	67.9	Low	73.8	Confident	30 Å²	30	63.1 Å²	63.1	31%	0.309	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	15.9	-177.7	0	0	0	0	0	115.9	D142 T158	D142-G160 PolarHBondContact OD1-N 2.82Å; T158-G160 PolarHBondContact O-N 2.87Å
161	G	74.6	Confident	74.6	Confident	17 Å²	17	64.2 Å²	64.2	18%	0.175	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-179.2	176.7	0	0	0	0	0	113.9	E145 T158	E145-G161 WeakPolarHBondContact OE2-CA 3.01Å; T158-G161 CarbonylContact C-O 3.56Å; T158-G161 VanDerWaalsContact C-O 3.27Å; T158-G161 VanDerWaalsContact CA-O 3.29Å; T158-G161 WeakPolarHBondContact CA-O 3.39Å; T158-G161 WeakPolarHBondContact CB-O 3Å; T158-G161 PolarHBondContact N-O 2.83Å; T158-G161 PolarHBondContact O-N 3.45Å; T158-G161 VanDerWaalsContact O-N 3.14Å; T158-G161 PolarHBondContact OG1-O 2.04Å
162	F	77.3	Confident	75	Confident	46 Å²	46	65.9 Å²	65.9	20%	0.202	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	163.7	179.8	69.2	-73.9	0	0	0	114.4	E145 S149 H177	E145-F162 HydrophobicContact CB-CB 4.19Å; E145-F162 HydrophobicContact CB-CD1 3.36Å; E145-F162 HydrophobicContact CB-CE1 3.81Å; E145-F162 HydrophobicContact CB-CG 3.88Å; E145-F162 HydrophobicContact CG-CD1 3.98Å; E145-F162 HydrophobicContact CG-CE1 4.32Å; E145-F162 VanDerWaalsContact OE2-CD1 3.31Å; E145-F162 WeakPolarHBondContact OE2-CD1 3.13Å; E145-F162 PolarHBondContact OE2-N 2.79Å; S149-F162 WeakPolarHBondContact OG-CE2 3.05Å; F162-H177 AromaticContact CE2-CD2 3.67Å; F162-H177 AromaticContact CE2-NE2 3.71Å; F162-H177 AromaticContact CZ-CD2 3.61Å; F162-H177 AromaticContact CZ-NE2 3.22Å; F162-H177 WeakPolarHBondContact CZ-NE2 3.47Å
163	V	74.5	Confident	75	Confident	45 Å²	45	61 Å²	61	27%	0.273	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.8	176.5	-177.3	0	0	0	0	109.5	V156 T158	V156-V163 PolarHBondContact N-O 2.84Å; V156-V163 PolarHBondContact O-N 2.78Å; T158-V163 HydrophobicContact CG2-CG2 4.49Å
164	C	78.1	Confident	74.9	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.02	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.4	168.7	-51.8	0	0	0	0	110.2	C151 L172	C151-C164 HydrophobicContact CB-CB 3.78Å; C151-C164 WeakPolarHBondContact CB-SG 2.97Å; C151-C164 WeakPolarHBondContact SG-CB 3.48Å; C151-C164 CovalentContact SG-SG 2.04Å; C151-C164 PolarHBondContact SG-SG 2.87Å; C164-L172 HydrophobicContact CB-CD1 3.95Å; C164-L172 WeakPolarHBondContact O-CD1 3.01Å; C164-L172 WeakPolarHBondContact O-CD2 3.22Å
165	E	75.6	Confident	74.3	Confident	116 Å²	116	62.6 Å²	62.6	54%	0.542	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.9	171.2	-64.7	-168.1	151.2	0	0	111	G153 H154 V156	G153-E165 CarbonylContact C-O 3.57Å; G153-E165 WeakPolarHBondContact CA-O 3.42Å; H154-E165 HydrophobicContact CB-CB 4.49Å; H154-E165 PolarHBondContact N-O 3.03Å; H154-E165 PolarHBondContact O-N 2.92Å; V156-E165 HydrophobicContact CG2-CG 4.05Å
166	C	80.9	Confident	73.7	Confident	33 Å²	33	68.3 Å²	68.3	22%	0.223	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-91.5	151.6	179	-65	0	0	0	0	112.8	M170 L172 C179	C166-M170 HydrophobicContact CB-CB 4.06Å; C166-L172 VanDerWaalsContact SG-CA 3.59Å; C166-C179 WeakPolarHBondContact CA-SG 3.46Å; C166-C179 HydrophobicContact CB-CB 3.89Å; C166-C179 WeakPolarHBondContact CB-SG 3.04Å; C166-C179 WeakPolarHBondContact SG-CA 3.42Å; C166-C179 WeakPolarHBondContact SG-CB 3.36Å; C166-C179 CovalentContact SG-SG 2.05Å; C166-C179 PolarHBondContact SG-SG 2.88Å
167	G	72.1	Confident	73.1	Confident	36 Å²	36	69.9 Å²	69.9	37%	0.371	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-64	160.2	176.3	0	0	0	0	0	113.2	G169 M170	G167-G169 PolarHBondContact O-N 3.04Å; G167-M170 WeakPolarHBondContact O-CB 3.33Å; G167-M170 PolarHBondContact O-N 2.8Å
168	P	73.1	Confident	73.2	Confident	128 Å²	128	69.9 Å²	69.9	83%	0.831	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	134.9	179.1	25.4	-34.7	0	0	0	111.3	M170	P168-M170 VanDerWaalsContact C-N 3.34Å
169	G	70.8	Confident	73.6	Confident	27 Å²	27	67.6 Å²	67.6	28%	0.278	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-5.5	-172.3	0	0	0	0	0	114.4	G167 T182	G167-G169 PolarHBondContact O-N 3.04Å; G169-T182 WeakPolarHBondContact O-CB 3.35Å; G169-T182 PolarHBondContact O-N 3.35Å; G169-T182 PolarHBondContact O-OG1 2.89Å
170	M	81.1	Confident	74.3	Confident	50 Å²	50	65.2 Å²	65.2	25%	0.246	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.1	178.4	-54.9	-173.4	74.9	0	0	110.9	C166 G167 P168 C179 Q180 I198	C166-M170 HydrophobicContact CB-CB 4.06Å; G167-M170 WeakPolarHBondContact O-CB 3.33Å; G167-M170 PolarHBondContact O-N 2.8Å; P168-M170 VanDerWaalsContact C-N 3.34Å; M170-C179 HydrophobicContact CB-CB 4.46Å; M170-C179 HydrophobicContact CE-CB 3.89Å; M170-C179 WeakPolarHBondContact CE-O 3.44Å; M170-Q180 CarbonylContact C-O 3.58Å; M170-Q180 VanDerWaalsContact CA-O 3.27Å; M170-Q180 WeakPolarHBondContact CA-O 3.23Å; M170-Q180 WeakPolarHBondContact CB-O 3.49Å; M170-I198 HydrophobicContact CE-CG2 3.8Å; M170-I198 HydrophobicContact SD-CG2 3.95Å
171	Q	79.8	Confident	75.1	Confident	138 Å²	138	65.9 Å²	65.9	65%	0.645	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	145	178.6	-172.2	163.6	34.4	0	0	110	S173 Q180	Q171-S173 PolarHBondContact O-N 3.14Å; Q171-Q180 PolarHBondContact N-O 2.82Å; Q171-Q180 PolarHBondContact O-N 2.04Å
172	L	76	Confident	75.5	Confident	56 Å²	56	67.9 Å²	67.9	29%	0.293	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.2	177.2	-167.8	67.2	0	0	0	110	C164 C166 R176	C164-L172 HydrophobicContact CB-CD1 3.95Å; C164-L172 WeakPolarHBondContact O-CD1 3.01Å; C164-L172 WeakPolarHBondContact O-CD2 3.22Å; C166-L172 VanDerWaalsContact SG-CA 3.59Å; L172-R176 HydrophobicContact CD2-CB 4.44Å; L172-R176 HydrophobicContact CD2-CG 3.69Å
173	S	70.9	Confident	75.8	Confident	33 Å²	33	68.7 Å²	68.7	23%	0.231	39%	0.391	C	S	.	.			trans	-70	165.4	-178.7	-179.3	0	0	0	0	112	Q171 D175 R176 S178	Q171-S173 PolarHBondContact O-N 3.14Å; S173-D175 WeakPolarHBondContact CB-OD1 3.34Å; S173-D175 PolarHBondContact O-N 2.04Å; S173-D175 PolarHBondContact OG-OD1 2.77Å; S173-R176 WeakPolarHBondContact O-CA 3.46Å; S173-R176 PolarHBondContact O-N 2.83Å; S173-S178 VanDerWaalsContact CB-O 3.22Å; S173-S178 WeakPolarHBondContact CB-O 3.04Å; S173-S178 PolarHBondContact N-O 3.17Å
174	A	68.3	Low	76.4	Confident	112 Å²	112	68.8 Å²	68.8	93%	0.926	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-24	-176.3	0	0	0	0	0	114	R176	A174-R176 PolarHBondContact O-N 2.92Å
175	D	65.6	Low	76.8	Confident	74 Å²	74	70 Å²	70	40%	0.396	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.2	170.4	55.4	-84.2	0	0	0	113.9	S173 H177 S178	S173-D175 WeakPolarHBondContact CB-OD1 3.34Å; S173-D175 PolarHBondContact O-N 2.04Å; S173-D175 PolarHBondContact OG-OD1 2.77Å; D175-H177 PolarHBondContact O-N 2.74Å; D175-H177 PolarHBondContact O-ND1 3.39Å; D175-H177 PolarHBondContact OD2-N 3.11Å; D175-S178 VanDerWaalsContact OD2-CB 3.31Å; D175-S178 WeakPolarHBondContact OD2-CB 3.17Å; D175-S178 PolarHBondContact OD2-N 2.72Å; D175-S178 PolarHBondContact OD2-OG 2.81Å
176	R	66.3	Low	77.2	Confident	150 Å²	150	71.4 Å²	71.4	57%	0.566	41%	0.407	S	S	*	.	S	Bend	trans	66.9	9.4	178	-141.7	174.9	-165.5	-113.7	5.2	116.1	L172 S173 A174	L172-R176 HydrophobicContact CD2-CB 4.44Å; L172-R176 HydrophobicContact CD2-CG 3.69Å; S173-R176 WeakPolarHBondContact O-CA 3.46Å; S173-R176 PolarHBondContact O-N 2.83Å; A174-R176 PolarHBondContact O-N 2.92Å
177	H	68.1	Low	77.1	Confident	82 Å²	82	72.7 Å²	72.7	38%	0.38	43%	0.426	S	S	.	.	S	Bend	trans	-123.5	-33.8	-178.8	-63	79.1	0	0	0	114.1	E152 F162 D175	E152-H177 PolarHBondContact N-O 2.84Å; F162-H177 AromaticContact CE2-CD2 3.67Å; F162-H177 AromaticContact CE2-NE2 3.71Å; F162-H177 AromaticContact CZ-CD2 3.61Å; F162-H177 AromaticContact CZ-NE2 3.22Å; F162-H177 WeakPolarHBondContact CZ-NE2 3.47Å; D175-H177 PolarHBondContact O-N 2.74Å; D175-H177 PolarHBondContact O-ND1 3.39Å; D175-H177 PolarHBondContact OD2-N 3.11Å
178	S	74.9	Confident	77.5	Confident	49 Å²	49	76.7 Å²	76.7	34%	0.343	44%	0.443	S	S	.	.	S	Bend	trans	-92.5	151.3	-176.8	-38.1	0	0	0	0	111.4	S173 D175	S173-S178 VanDerWaalsContact CB-O 3.22Å; S173-S178 WeakPolarHBondContact CB-O 3.04Å; S173-S178 PolarHBondContact N-O 3.17Å; D175-S178 VanDerWaalsContact OD2-CB 3.31Å; D175-S178 WeakPolarHBondContact OD2-CB 3.17Å; D175-S178 PolarHBondContact OD2-N 2.72Å; D175-S178 PolarHBondContact OD2-OG 2.81Å
179	C	80.8	Confident	78	Confident	14 Å²	14	72.2 Å²	72.2	10%	0.095	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.4	-179.6	-72.2	0	0	0	0	111.3	E152 C166 M170	E152-C179 PolarHBondContact OE2-N 3.25Å; C166-C179 WeakPolarHBondContact CA-SG 3.46Å; C166-C179 HydrophobicContact CB-CB 3.89Å; C166-C179 WeakPolarHBondContact CB-SG 3.04Å; C166-C179 WeakPolarHBondContact SG-CA 3.42Å; C166-C179 WeakPolarHBondContact SG-CB 3.36Å; C166-C179 CovalentContact SG-SG 2.05Å; C166-C179 PolarHBondContact SG-SG 2.88Å; M170-C179 HydrophobicContact CB-CB 4.46Å; M170-C179 HydrophobicContact CE-CB 3.89Å; M170-C179 WeakPolarHBondContact CE-O 3.44Å
180	Q	83.8	Confident	78.7	Confident	131 Å²	131	71.7 Å²	71.7	61%	0.612	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	137	177.3	-168.5	169	15.7	0	0	111.3	M170 Q171	M170-Q180 CarbonylContact C-O 3.58Å; M170-Q180 VanDerWaalsContact CA-O 3.27Å; M170-Q180 WeakPolarHBondContact CA-O 3.23Å; M170-Q180 WeakPolarHBondContact CB-O 3.49Å; Q171-Q180 PolarHBondContact N-O 2.82Å; Q171-Q180 PolarHBondContact O-N 2.04Å
181	D	84	Confident	78.9	Confident	44 Å²	44	75.2 Å²	75.2	24%	0.235	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.2	173.9	-174.4	43.1	0	0	0	112.1	N196 I198 G199	D181-N196 PolarHBondContact OD2-ND2 2.75Å; D181-I198 WeakPolarHBondContact OD1-CA 3.4Å; D181-G199 PolarHBondContact OD1-N 2.05Å
182	T	83.2	Confident	79.3	Confident	58 Å²	58	70.3 Å²	70.3	36%	0.356	40%	0.399	S	S	.	.			trans	-90.7	104.9	178.5	-49.5	0	0	0	0	109.3	G169 E184	G169-T182 WeakPolarHBondContact O-CB 3.35Å; G169-T182 PolarHBondContact O-N 3.35Å; G169-T182 PolarHBondContact O-OG1 2.89Å; T182-E184 VanDerWaalsContact C-N 3.35Å; T182-E184 VanDerWaalsContact O-CD 3.28Å; T182-E184 WeakPolarHBondContact O-CG 3.49Å; T182-E184 PolarHBondContact O-N 2.87Å
183	D	83.3	Confident	79.8	Confident	64 Å²	64	74.1 Å²	74.1	34%	0.342	41%	0.409	S	S	.	.			trans	-69.6	89.1	179.1	-169.7	-17.7	0	0	0	111.8	C185 L186 N196	D183-C185 PolarHBondContact O-N 3.39Å; D183-C185 WeakPolarHBondContact OD1-CA 3.11Å; D183-C185 WeakPolarHBondContact OD1-CB 3.13Å; D183-C185 PolarHBondContact OD1-N 2.9Å; D183-L186 HydrophobicContact CB-CD1 4.19Å; D183-L186 HydrophobicContact CB-CG 4.21Å; D183-L186 WeakPolarHBondContact O-CB 3.41Å; D183-L186 WeakPolarHBondContact O-CG 3.47Å; D183-L186 PolarHBondContact O-N 3.45Å; D183-N196 WeakPolarHBondContact CA-ND2 3.05Å; D183-N196 WeakPolarHBondContact OD1-CB 3.43Å
184	E	87.8	Confident	80.8	Confident	46 Å²	46	74 Å²	74	22%	0.215	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-70.6	-13.4	-178.7	-41.5	104.2	129.8	0	0	111.6	T182 L186 G187 P189 Y201	T182-E184 VanDerWaalsContact C-N 3.35Å; T182-E184 VanDerWaalsContact O-CD 3.28Å; T182-E184 WeakPolarHBondContact O-CG 3.49Å; T182-E184 PolarHBondContact O-N 2.87Å; E184-L186 PolarHBondContact O-N 3.2Å; E184-G187 PolarHBondContact O-N 2.84Å; E184-P189 WeakPolarHBondContact O-CD 3.41Å; E184-P189 WeakPolarHBondContact O-CG 3.36Å; E184-Y201 HydrophobicContact CB-CD1 3.75Å; E184-Y201 HydrophobicContact CB-CE1 4.03Å; E184-Y201 HydrophobicContact CB-CG 4.34Å; E184-Y201 HydrophobicContact CG-CD1 3.97Å; E184-Y201 HydrophobicContact CG-CE1 4.25Å; E184-Y201 WeakPolarHBondContact OE1-CD1 3.38Å; E184-Y201 WeakPolarHBondContact OE2-CB 3.49Å; E184-Y201 WeakPolarHBondContact OE2-CD1 3.3Å; E184-Y201 PolarHBondContact OE2-N 3.01Å
185	C	86.3	Confident	81.8	Confident	28 Å²	28	75.6 Å²	75.6	19%	0.189	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.8	175.5	-63.6	0	0	0	0	112.8	D183 G187 T188 C194 K195 N196	D183-C185 PolarHBondContact O-N 3.39Å; D183-C185 WeakPolarHBondContact OD1-CA 3.11Å; D183-C185 WeakPolarHBondContact OD1-CB 3.13Å; D183-C185 PolarHBondContact OD1-N 2.9Å; C185-G187 PolarHBondContact O-N 2.04Å; C185-T188 PolarHBondContact O-N 3.32Å; C185-T188 VanDerWaalsContact O-N 3.13Å; C185-C194 WeakPolarHBondContact CA-SG 2.98Å; C185-C194 HydrophobicContact CB-CB 3.55Å; C185-C194 WeakPolarHBondContact CB-SG 3.05Å; C185-C194 WeakPolarHBondContact SG-CB 3.16Å; C185-C194 CovalentContact SG-SG 2.03Å; C185-C194 PolarHBondContact SG-SG 3.47Å; C185-K195 PolarHBondContact SG-N 2.93Å; C185-N196 PolarHBondContact SG-N 3.02Å
186	L	84.6	Confident	82.8	Confident	147 Å²	147	73.7 Å²	73.7	77%	0.77	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-59.5	-31.4	171.3	-60.3	176.5	0	0	0	112.1	D183 E184 T188	D183-L186 HydrophobicContact CB-CD1 4.19Å; D183-L186 HydrophobicContact CB-CG 4.21Å; D183-L186 WeakPolarHBondContact O-CB 3.41Å; D183-L186 WeakPolarHBondContact O-CG 3.47Å; D183-L186 PolarHBondContact O-N 3.45Å; E184-L186 PolarHBondContact O-N 3.2Å; L186-T188 VanDerWaalsContact C-N 3.28Å; L186-T188 PolarHBondContact O-N 2.79Å
187	G	79.2	Confident	83.7	Confident	60 Å²	60	69 Å²	69	62%	0.619	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-80.1	2.7	176.4	0	0	0	0	0	115.3	E184 C185 P189	E184-G187 PolarHBondContact O-N 2.84Å; C185-G187 PolarHBondContact O-N 2.04Å; G187-P189 VanDerWaalsContact C-CD 3.45Å
188	T	79.4	Confident	84.3	Confident	119 Å²	119	71.9 Å²	71.9	73%	0.73	39%	0.391	S	S	*	.			trans	55.2	40.8	-175.9	65.1	0	0	0	0	117	C185 L186 C190	C185-T188 PolarHBondContact O-N 3.32Å; C185-T188 VanDerWaalsContact O-N 3.13Å; L186-T188 VanDerWaalsContact C-N 3.28Å; L186-T188 PolarHBondContact O-N 2.79Å; T188-C190 PolarHBondContact O-N 3.13Å
189	P	83.4	Confident	84.4	Confident	34 Å²	34	70.5 Å²	70.5	22%	0.221	39%	0.385	C	S	.	.			trans	-70.3	-7.7	-173.1	32.3	-39.7	0	0	0	114.9	E184 G187 Y201 H216	E184-P189 WeakPolarHBondContact O-CD 3.41Å; E184-P189 WeakPolarHBondContact O-CG 3.36Å; G187-P189 VanDerWaalsContact C-CD 3.45Å; P189-Y201 HydrophobicContact CB-CD2 4.25Å; P189-Y201 HydrophobicContact CB-CE2 3.49Å; P189-Y201 VanDerWaalsContact CB-CE2 3.49Å; P189-Y201 HydrophobicContact CG-CD2 3.66Å; P189-Y201 HydrophobicContact CG-CE1 4.45Å; P189-Y201 HydrophobicContact CG-CE2 3.43Å; P189-Y201 VanDerWaalsContact CG-CE2 3.43Å; P189-Y201 HydrophobicContact CG-CG 4.25Å; P189-H216 PolarHBondContact O-ND1 3.4Å
190	C	86.6	Confident	84.5	Confident	17 Å²	17	72.9 Å²	72.9	12%	0.115	40%	0.401	C	S	.	.	S	Bend	trans	-115.8	135.5	-176.9	-56.9	0	0	0	0	111.8	T188 Q192 C194 C203	T188-C190 PolarHBondContact O-N 3.13Å; C190-Q192 VanDerWaalsContact C-N 3.28Å; C190-Q192 PolarHBondContact O-N 3.29Å; C190-Q192 VanDerWaalsContact O-N 3.12Å; C190-C194 HydrophobicContact CB-CB 3.9Å; C190-C194 VanDerWaalsContact SG-CB 3.56Å; C190-C194 PolarHBondContact SG-SG 2.85Å; C190-C203 VanDerWaalsContact CA-SG 3.55Å; C190-C203 HydrophobicContact CB-CB 3.63Å; C190-C203 WeakPolarHBondContact CB-SG 3.35Å; C190-C203 WeakPolarHBondContact SG-CA 3.1Å; C190-C203 WeakPolarHBondContact SG-CB 3.05Å; C190-C203 CovalentContact SG-SG 2.03Å; C190-C203 PolarHBondContact SG-SG 2.04Å
191	Q	85.9	Confident	84.8	Confident	123 Å²	123	69.5 Å²	69.5	58%	0.575	38%	0.383	S	S	*	.	S	Bend	trans	-65.8	-19.6	-173.9	-165.7	-177.4	4.5	0	0	115.4	H216 S217	Q191-H216 PolarHBondContact N-O 3.07Å; Q191-H216 VanDerWaalsContact N-O 3.08Å; Q191-S217 VanDerWaalsContact OE1-CA 3.27Å
192	Q	86.6	Confident	85	Confident	36 Å²	36	74.5 Å²	74.5	17%	0.168	40%	0.403	C	S	.	.	S	Bend	trans	-138.9	-47.3	-173.7	-70.3	-169.1	-3	0	0	116.6	C190 R206 F209 C218	C190-Q192 VanDerWaalsContact C-N 3.28Å; C190-Q192 PolarHBondContact O-N 3.29Å; C190-Q192 VanDerWaalsContact O-N 3.12Å; Q192-R206 HydrophobicContact CB-CG 4.4Å; Q192-R206 PolarHBondContact O-NH2 2.76Å; Q192-R206 VanDerWaalsContact O-NH2 3.12Å; Q192-F209 VanDerWaalsContact NE2-CD1 3.31Å; Q192-F209 VanDerWaalsContact NE2-CG 3.35Å; Q192-C218 HydrophobicContact CB-CB 4.43Å; Q192-C218 HydrophobicContact CG-CB 3.75Å
193	R	88.1	Confident	85.3	Confident	135 Å²	135	72.1 Å²	72.1	51%	0.509	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-153.4	104.5	177.8	-173	-179.3	65.1	-150.7	-7.4	110.3	S204 C205	R193-S204 WeakPolarHBondContact CB-O 3.47Å; R193-S204 PolarHBondContact N-O 3.29Å; R193-S204 PolarHBondContact NE-OG 3.09Å; R193-S204 PolarHBondContact NH2-OG 3.5Å; R193-S204 PolarHBondContact O-N 2.93Å; R193-S204 VanDerWaalsContact O-O 3.08Å; R193-S204 PolarHBondContact O-OG 2.86Å; R193-C205 PolarHBondContact NH2-O 2.78Å
194	C	91.4	Very high	85.7	Confident	32 Å²	32	70.5 Å²	70.5	22%	0.216	38%	0.382	C	S	.	.			trans	-74.8	153.8	166.5	-163.5	0	0	0	0	110.1	C185 C190	C185-C194 WeakPolarHBondContact CA-SG 2.98Å; C185-C194 HydrophobicContact CB-CB 3.55Å; C185-C194 WeakPolarHBondContact CB-SG 3.05Å; C185-C194 WeakPolarHBondContact SG-CB 3.16Å; C185-C194 CovalentContact SG-SG 2.03Å; C185-C194 PolarHBondContact SG-SG 3.47Å; C190-C194 HydrophobicContact CB-CB 3.9Å; C190-C194 VanDerWaalsContact SG-CB 3.56Å; C190-C194 PolarHBondContact SG-SG 2.85Å
195	K	88.7	Confident	85.8	Confident	144 Å²	144	69.2 Å²	69.2	63%	0.626	38%	0.378	S	S	*	.			trans	-141.5	121.8	163.7	-169.3	-134.3	174.1	-160.3	0	107.3	C185 K202	C185-K195 PolarHBondContact SG-N 2.93Å; K195-K202 PolarHBondContact N-O 2.79Å; K195-K202 VanDerWaalsContact N-O 3.11Å; K195-K202 PolarHBondContact O-N 2.72Å
196	N	87.5	Confident	85.9	Confident	35 Å²	35	75.3 Å²	75.3	19%	0.187	40%	0.397	C	S	.	.			trans	-70.9	156.7	179	-167.3	26.7	0	0	0	111.9	D181 D183 C185	D181-N196 PolarHBondContact OD2-ND2 2.75Å; D183-N196 WeakPolarHBondContact CA-ND2 3.05Å; D183-N196 WeakPolarHBondContact OD1-CB 3.43Å; C185-N196 PolarHBondContact SG-N 3.02Å
197	S	83.9	Confident	86	Confident	51 Å²	51	74.9 Å²	74.9	36%	0.357	40%	0.401	S	S	.	.			trans	-156.8	153.2	171.2	19.6	0	0	0	0	109.8	G199 S200	S197-G199 PolarHBondContact O-N 2.81Å; S197-G199 VanDerWaalsContact O-N 3.13Å; S197-S200 CarbonylContact C-O 3.58Å; S197-S200 WeakPolarHBondContact CB-O 3.38Å; S197-S200 PolarHBondContact N-O 2.98Å; S197-S200 CarbonylContact O-C 3.58Å; S197-S200 PolarHBondContact O-N 2.98Å; S197-S200 PolarHBondContact OG-O 3.14Å
198	I	80.7	Confident	86.2	Confident	143 Å²	143	72.9 Å²	72.9	73%	0.733	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	117.3	-172.8	-55.4	171.5	0	0	0	111.3	M170 D181 S200	M170-I198 HydrophobicContact CE-CG2 3.8Å; M170-I198 HydrophobicContact SD-CG2 3.95Å; D181-I198 WeakPolarHBondContact OD1-CA 3.4Å; I198-S200 VanDerWaalsContact C-N 3.28Å; I198-S200 PolarHBondContact O-N 2.8Å
199	G	77.9	Confident	86.6	Confident	20 Å²	20	69.3 Å²	69.3	21%	0.206	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-0.8	-178.6	0	0	0	0	0	115.5	D181 S197	D181-G199 PolarHBondContact OD1-N 2.05Å; S197-G199 PolarHBondContact O-N 2.81Å; S197-G199 VanDerWaalsContact O-N 3.13Å
200	S	83.3	Confident	86.8	Confident	64 Å²	64	72.1 Å²	72.1	45%	0.448	36%	0.364	S	S	.	.	S	Bend	trans	-175.7	134.1	174.7	-156.2	0	0	0	0	114.7	S197 I198	S197-S200 CarbonylContact C-O 3.58Å; S197-S200 WeakPolarHBondContact CB-O 3.38Å; S197-S200 PolarHBondContact N-O 2.98Å; S197-S200 CarbonylContact O-C 3.58Å; S197-S200 PolarHBondContact O-N 2.98Å; S197-S200 PolarHBondContact OG-O 3.14Å; I198-S200 VanDerWaalsContact C-N 3.28Å; I198-S200 PolarHBondContact O-N 2.8Å
201	Y	88.3	Confident	87	Confident	59 Å²	59	74.6 Å²	74.6	23%	0.231	38%	0.376	C	S	.	.			trans	-67.7	155.1	166.4	67.1	-70.4	0	0	0	117	E184 P189 H216	E184-Y201 HydrophobicContact CB-CD1 3.75Å; E184-Y201 HydrophobicContact CB-CE1 4.03Å; E184-Y201 HydrophobicContact CB-CG 4.34Å; E184-Y201 HydrophobicContact CG-CD1 3.97Å; E184-Y201 HydrophobicContact CG-CE1 4.25Å; E184-Y201 WeakPolarHBondContact OE1-CD1 3.38Å; E184-Y201 WeakPolarHBondContact OE2-CB 3.49Å; E184-Y201 WeakPolarHBondContact OE2-CD1 3.3Å; E184-Y201 PolarHBondContact OE2-N 3.01Å; P189-Y201 HydrophobicContact CB-CD2 4.25Å; P189-Y201 HydrophobicContact CB-CE2 3.49Å; P189-Y201 VanDerWaalsContact CB-CE2 3.49Å; P189-Y201 HydrophobicContact CG-CD2 3.66Å; P189-Y201 HydrophobicContact CG-CE1 4.45Å; P189-Y201 HydrophobicContact CG-CE2 3.43Å; P189-Y201 VanDerWaalsContact CG-CE2 3.43Å; P189-Y201 HydrophobicContact CG-CG 4.25Å; Y201-H216 AromaticContact CE2-CE1 3.98Å; Y201-H216 AromaticContact CZ-CE1 3.85Å; Y201-H216 PolarHBondContact OH-CE1 2.87Å
202	K	88.9	Confident	87	Confident	149 Å²	149	73.1 Å²	73.1	65%	0.648	37%	0.369	S	S	*	.			trans	-126.4	109.1	172.8	-170.9	167.4	-172.5	166.1	0	112.6	K195	K195-K202 PolarHBondContact N-O 2.79Å; K195-K202 VanDerWaalsContact N-O 3.11Å; K195-K202 PolarHBondContact O-N 2.72Å
203	C	90.5	Very high	86.9	Confident	9 Å²	9	74.6 Å²	74.6	6%	0.061	39%	0.394	C	S	.	.			trans	-67.6	147.9	171.4	-55	0	0	0	0	112.6	C190 L211 R215	C190-C203 VanDerWaalsContact CA-SG 3.55Å; C190-C203 HydrophobicContact CB-CB 3.63Å; C190-C203 WeakPolarHBondContact CB-SG 3.35Å; C190-C203 WeakPolarHBondContact SG-CA 3.1Å; C190-C203 WeakPolarHBondContact SG-CB 3.05Å; C190-C203 CovalentContact SG-SG 2.03Å; C190-C203 PolarHBondContact SG-SG 2.04Å; C203-L211 HydrophobicContact CB-CD1 4.04Å; C203-R215 WeakPolarHBondContact CB-O 3.44Å
204	S	89.7	Confident	86.6	Confident	29 Å²	29	71.7 Å²	71.7	20%	0.203	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-150.4	159	173.9	61.7	0	0	0	0	111.2	R193	R193-S204 WeakPolarHBondContact CB-O 3.47Å; R193-S204 PolarHBondContact N-O 3.29Å; R193-S204 PolarHBondContact NE-OG 3.09Å; R193-S204 PolarHBondContact NH2-OG 3.5Å; R193-S204 PolarHBondContact O-N 2.93Å; R193-S204 VanDerWaalsContact O-O 3.08Å; R193-S204 PolarHBondContact O-OG 2.86Å
205	C	91.8	Very high	86.2	Confident	19 Å²	19	78.7 Å²	78.7	13%	0.128	41%	0.411	C	S	.	.			trans	-108.3	162.3	-173.5	-53.7	0	0	0	0	112.6	R193 F209 C218	R193-C205 PolarHBondContact NH2-O 2.78Å; C205-F209 HydrophobicContact CB-CB 3.73Å; C205-C218 WeakPolarHBondContact CA-SG 3.4Å; C205-C218 HydrophobicContact CB-CB 3.77Å; C205-C218 WeakPolarHBondContact CB-SG 3.48Å; C205-C218 WeakPolarHBondContact SG-CA 3.41Å; C205-C218 WeakPolarHBondContact SG-CB 3.35Å; C205-C218 CovalentContact SG-SG 2.04Å; C205-C218 PolarHBondContact SG-SG 2.84Å
206	R	88.3	Confident	86	Confident	157 Å²	157	75.3 Å²	75.3	59%	0.592	40%	0.397	S	S	*	.			trans	-76.7	162.1	172.9	-61.3	174.8	-169.6	-119.2	-4.8	109.7	Q192 G208 F209	Q192-R206 HydrophobicContact CB-CG 4.4Å; Q192-R206 PolarHBondContact O-NH2 2.76Å; Q192-R206 VanDerWaalsContact O-NH2 3.12Å; R206-G208 PolarHBondContact O-N 2.87Å; R206-F209 HydrophobicContact CB-CD2 4.24Å; R206-F209 WeakPolarHBondContact O-CB 3.34Å; R206-F209 PolarHBondContact O-N 3.36Å
207	T	85.6	Confident	86	Confident	137 Å²	137	75.5 Å²	75.5	84%	0.84	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	136.9	172.4	46.8	0	0	0	0	110.5
208	G	82.8	Confident	86.3	Confident	18 Å²	18	73.4 Å²	73.4	19%	0.186	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-5	-171	0	0	0	0	0	114.5	R206 V221	R206-G208 PolarHBondContact O-N 2.87Å; G208-V221 WeakPolarHBondContact O-CB 3.29Å; G208-V221 PolarHBondContact O-N 3.1Å
209	F	89.3	Confident	86.7	Confident	44 Å²	44	69.4 Å²	69.4	19%	0.193	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.3	178.7	-61.2	-94.5	0	0	0	111.8	Q192 C205 R206 C218 V219 D220 V241 G242	Q192-F209 VanDerWaalsContact NE2-CD1 3.31Å; Q192-F209 VanDerWaalsContact NE2-CG 3.35Å; C205-F209 HydrophobicContact CB-CB 3.73Å; R206-F209 HydrophobicContact CB-CD2 4.24Å; R206-F209 WeakPolarHBondContact O-CB 3.34Å; R206-F209 PolarHBondContact O-N 3.36Å; F209-C218 HydrophobicContact CB-CB 4.2Å; F209-C218 HydrophobicContact CD1-CB 4.5Å; F209-V219 CarbonylContact C-O 3.51Å; F209-V219 WeakPolarHBondContact CA-O 3.47Å; F209-D220 HydrophobicContact CD1-CB 4.43Å; F209-D220 HydrophobicContact CE1-CB 4.36Å; F209-V241 HydrophobicContact CE1-CG1 4.03Å; F209-V241 HydrophobicContact CZ-CG1 3.79Å; F209-G242 VanDerWaalsContact CE2-CA 3.43Å
210	H	88.1	Confident	87.3	Confident	93 Å²	93	70.2 Å²	70.2	43%	0.431	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.1	171.5	69.6	-71.2	0	0	0	110.5	H212 C218 V219 V221	H210-H212 PolarHBondContact O-N 2.92Å; H210-C218 CarbonylContact O-C 3.5Å; H210-C218 WeakPolarHBondContact O-CA 3.29Å; H210-V219 PolarHBondContact N-O 2.04Å; H210-V219 PolarHBondContact ND1-O 3.2Å; H210-V219 PolarHBondContact O-N 3.33Å; H210-V221 HydrophobicContact CB-CG2 3.82Å
211	L	89	Confident	87.6	Confident	69 Å²	69	69 Å²	69	36%	0.361	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.9	178	-162.6	70.4	0	0	0	109.4	C203 R215	C203-L211 HydrophobicContact CB-CD1 4.04Å; L211-R215 HydrophobicContact CD2-CB 4.28Å
212	H	87.1	Confident	87.6	Confident	92 Å²	92	68.9 Å²	68.9	43%	0.426	36%	0.361	S	S	.	.			trans	-74.4	165.6	-179.8	-169.1	57.1	0	0	0	111.6	H210 N214 R215 S217 V219	H210-H212 PolarHBondContact O-N 2.92Å; H212-N214 PolarHBondContact O-N 3.46Å; H212-N214 VanDerWaalsContact O-N 3.12Å; H212-R215 WeakPolarHBondContact O-CA 3.12Å; H212-R215 PolarHBondContact O-N 3.02Å; H212-S217 VanDerWaalsContact CB-O 3.3Å; H212-S217 WeakPolarHBondContact CB-O 3.12Å; H212-S217 PolarHBondContact N-O 2.85Å; H212-V219 HydrophobicContact CB-CG2 3.96Å
213	G	83.8	Confident	87.5	Confident	67 Å²	67	62.8 Å²	62.8	69%	0.691	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.5	-177.8	0	0	0	0	0	114.3	R215	G213-R215 PolarHBondContact O-N 3.1Å
214	N	82.1	Confident	87.2	Confident	75 Å²	75	64.5 Å²	64.5	40%	0.401	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-4.9	173	74.1	-6.2	0	0	0	114.2	H212 H216 S217	H212-N214 PolarHBondContact O-N 3.46Å; H212-N214 VanDerWaalsContact O-N 3.12Å; N214-H216 PolarHBondContact O-CD2 3.46Å; N214-H216 PolarHBondContact O-N 3.19Å; N214-H216 VanDerWaalsContact O-N 3.13Å; N214-H216 PolarHBondContact OD1-N 2.79Å; N214-S217 PolarHBondContact ND2-OG 2.81Å; N214-S217 PolarHBondContact OD1-N 2.96Å
215	R	82.9	Confident	86.9	Confident	178 Å²	178	73.4 Å²	73.4	67%	0.672	38%	0.376	S	S	*	.	S	Bend	trans	61.7	3.9	-176.4	-61.5	-175.9	-65.5	-81.1	3.1	117	C203 L211 H212 G213	C203-R215 WeakPolarHBondContact CB-O 3.44Å; L211-R215 HydrophobicContact CD2-CB 4.28Å; H212-R215 WeakPolarHBondContact O-CA 3.12Å; H212-R215 PolarHBondContact O-N 3.02Å; G213-R215 PolarHBondContact O-N 3.1Å
216	H	84.7	Confident	85.8	Confident	74 Å²	74	78 Å²	78	34%	0.343	39%	0.391	S	S	.	.	S	Bend	trans	-115.8	-34.8	-178.9	-69.8	-138.9	0	0	0	113.4	P189 Q191 Y201 N214	P189-H216 PolarHBondContact O-ND1 3.4Å; Q191-H216 PolarHBondContact N-O 3.07Å; Q191-H216 VanDerWaalsContact N-O 3.08Å; Y201-H216 AromaticContact CE2-CE1 3.98Å; Y201-H216 AromaticContact CZ-CE1 3.85Å; Y201-H216 PolarHBondContact OH-CE1 2.87Å; N214-H216 PolarHBondContact O-CD2 3.46Å; N214-H216 PolarHBondContact O-N 3.19Å; N214-H216 VanDerWaalsContact O-N 3.13Å; N214-H216 PolarHBondContact OD1-N 2.79Å
217	S	87.3	Confident	84.7	Confident	38 Å²	38	75.6 Å²	75.6	27%	0.266	40%	0.395	S	S	.	.			trans	-89.4	149.6	-177.3	-55.3	0	0	0	0	111.7	Q191 H212 N214	Q191-S217 VanDerWaalsContact OE1-CA 3.27Å; H212-S217 VanDerWaalsContact CB-O 3.3Å; H212-S217 WeakPolarHBondContact CB-O 3.12Å; H212-S217 PolarHBondContact N-O 2.85Å; N214-S217 PolarHBondContact ND2-OG 2.81Å; N214-S217 PolarHBondContact OD1-N 2.96Å
218	C	91.1	Very high	83.4	Confident	7 Å²	7	75.6 Å²	75.6	5%	0.047	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	110.1	179.9	-72.4	0	0	0	0	110	Q192 C205 F209 H210	Q192-C218 HydrophobicContact CB-CB 4.43Å; Q192-C218 HydrophobicContact CG-CB 3.75Å; C205-C218 WeakPolarHBondContact CA-SG 3.4Å; C205-C218 HydrophobicContact CB-CB 3.77Å; C205-C218 WeakPolarHBondContact CB-SG 3.48Å; C205-C218 WeakPolarHBondContact SG-CA 3.41Å; C205-C218 WeakPolarHBondContact SG-CB 3.35Å; C205-C218 CovalentContact SG-SG 2.04Å; C205-C218 PolarHBondContact SG-SG 2.84Å; F209-C218 HydrophobicContact CB-CB 4.2Å; F209-C218 HydrophobicContact CD1-CB 4.5Å; H210-C218 CarbonylContact O-C 3.5Å; H210-C218 WeakPolarHBondContact O-CA 3.29Å
219	V	89.2	Confident	82.1	Confident	59 Å²	59	83.9 Å²	83.9	36%	0.358	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.1	-178.1	176.6	0	0	0	0	109.9	F209 H210 H212	F209-V219 CarbonylContact C-O 3.51Å; F209-V219 WeakPolarHBondContact CA-O 3.47Å; H210-V219 PolarHBondContact N-O 2.04Å; H210-V219 PolarHBondContact ND1-O 3.2Å; H210-V219 PolarHBondContact O-N 3.33Å; H212-V219 HydrophobicContact CB-CG2 3.96Å
220	D	90.7	Very high	80.9	Confident	37 Å²	37	91.9 Å²	91.9	20%	0.198	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	136	177.8	-176.2	71.5	0	0	0	112.6	F209 N222 N239 G242	F209-D220 HydrophobicContact CD1-CB 4.43Å; F209-D220 HydrophobicContact CE1-CB 4.36Å; D220-N222 PolarHBondContact O-N 3.42Å; D220-N239 PolarHBondContact OD2-ND2 2.78Å; D220-G242 PolarHBondContact OD1-N 3.38Å
221	V	89.3	Confident	80	Confident	40 Å²	40	95 Å²	95	24%	0.242	46%	0.46	C	S	.	.			trans	-92.2	95	179.4	176.4	0	0	0	0	108.8	G208 H210 E223	G208-V221 WeakPolarHBondContact O-CB 3.29Å; G208-V221 PolarHBondContact O-N 3.1Å; H210-V221 HydrophobicContact CB-CG2 3.82Å; V221-E223 PolarHBondContact O-N 3.36Å; V221-E223 VanDerWaalsContact O-OE2 3.08Å
222	N	86.8	Confident	79.5	Confident	56 Å²	56	93.6 Å²	93.6	30%	0.299	45%	0.454	S	S	.	.			trans	-67.4	94.3	-175.9	-169.8	-61	0	0	0	112.7	D220 C224 R225 N239	D220-N222 PolarHBondContact O-N 3.42Å; N222-C224 PolarHBondContact O-N 2.82Å; N222-C224 PolarHBondContact OD1-N 2.61Å; N222-R225 HydrophobicContact CB-CB 4.31Å; N222-R225 HydrophobicContact CB-CG 4.49Å; N222-R225 PolarHBondContact O-N 3.02Å; N222-R225 VanDerWaalsContact O-N 3.11Å; N222-R225 WeakPolarHBondContact OD1-CG 3.03Å; N222-R225 PolarHBondContact OD1-N 2.86Å; N222-R225 VanDerWaalsContact OD1-N 3.08Å; N222-N239 WeakPolarHBondContact CA-OD1 3.41Å; N222-N239 VanDerWaalsContact CG-CG 3.44Å; N222-N239 VanDerWaalsContact CG-OD1 3.25Å; N222-N239 WeakPolarHBondContact ND2-CB 3.31Å; N222-N239 PolarHBondContact ND2-ND2 3.18Å; N222-N239 PolarHBondContact ND2-OD1 3.2Å
223	E	87.7	Confident	79.3	Confident	20 Å²	20	89.3 Å²	89.3	9%	0.093	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-66.8	-26.5	-175.7	-69.5	99.4	172.1	0	0	113.2	V221 R225 R226 V232 N239 F244	V221-E223 PolarHBondContact O-N 3.36Å; V221-E223 VanDerWaalsContact O-OE2 3.08Å; E223-R225 PolarHBondContact O-N 3.29Å; E223-R226 PolarHBondContact O-N 3.4Å; E223-V232 HydrophobicContact CB-CG2 4.27Å; E223-N239 PolarHBondContact N-OD1 2.82Å; E223-F244 HydrophobicContact CB-CB 4.26Å; E223-F244 HydrophobicContact CB-CD1 3.71Å; E223-F244 HydrophobicContact CB-CE1 4.39Å; E223-F244 HydrophobicContact CB-CG 4.09Å; E223-F244 HydrophobicContact CG-CD1 3.74Å; E223-F244 HydrophobicContact CG-CE1 4.22Å; E223-F244 WeakPolarHBondContact OE2-CD1 3.42Å
224	C	84.4	Confident	79.3	Confident	46 Å²	46	91.7 Å²	91.7	31%	0.311	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-68.2	-14.4	175.6	-55.6	0	0	0	0	113.5	N222 C237	N222-C224 PolarHBondContact O-N 2.82Å; N222-C224 PolarHBondContact OD1-N 2.61Å; C224-C237 WeakPolarHBondContact CA-SG 3.32Å; C224-C237 HydrophobicContact CB-CB 3.77Å; C224-C237 WeakPolarHBondContact CB-SG 3.43Å; C224-C237 WeakPolarHBondContact SG-CB 3.45Å; C224-C237 CovalentContact SG-SG 2.04Å; C224-C237 PolarHBondContact SG-SG 3.49Å
225	R	82.4	Confident	79.5	Confident	215 Å²	215	89.8 Å²	89.8	81%	0.811	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-96.6	6.6	178.5	-82.2	-178.6	164.9	-160.4	-4.6	114.8	N222 E223	N222-R225 HydrophobicContact CB-CB 4.31Å; N222-R225 HydrophobicContact CB-CG 4.49Å; N222-R225 PolarHBondContact O-N 3.02Å; N222-R225 VanDerWaalsContact O-N 3.11Å; N222-R225 WeakPolarHBondContact OD1-CG 3.03Å; N222-R225 PolarHBondContact OD1-N 2.86Å; N222-R225 VanDerWaalsContact OD1-N 3.08Å; E223-R225 PolarHBondContact O-N 3.29Å
226	R	70.4	Confident	79.7	Confident	117 Å²	117	84 Å²	84	44%	0.442	40%	0.402	S	S	.	.	S	Bend	trans	-65.1	148	175	-70.3	-171.1	176.9	115.8	9.7	111.9	E223	E223-R226 PolarHBondContact O-N 3.4Å
227	P	63.7	Low	79.8	Confident	106 Å²	106	82.2 Å²	82.2	69%	0.688	40%	0.398	S	S	*	.			trans	-54.7	151.9	178.5	-27.7	36	0	0	0	114	E229 R230	P227-E229 PolarHBondContact O-N 3.46Å; P227-R230 PolarHBondContact O-N 3.5Å
228	L	58.8	Low	79.9	Confident	136 Å²	136	84.8 Å²	84.8	71%	0.712	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-55.2	-26.5	-163.8	-107.4	67.3	0	0	0	115.9	R230	L228-R230 VanDerWaalsContact C-N 3.29Å; L228-R230 PolarHBondContact O-N 3.07Å
229	E	56.2	Low	79.6	Confident	193 Å²	193	87 Å²	87	90%	0.902	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.8	-175.7	-58.4	-176.9	157.6	0	0	113.8	P227	P227-E229 PolarHBondContact O-N 3.46Å
230	R	62.8	Low	79.5	Confident	212 Å²	212	86.9 Å²	86.9	80%	0.8	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-132.3	59.5	174.6	-78.7	-176.8	166.9	157.7	-3.9	111.4	P227 L228 V232	P227-R230 PolarHBondContact O-N 3.5Å; L228-R230 VanDerWaalsContact C-N 3.29Å; L228-R230 PolarHBondContact O-N 3.07Å; R230-V232 PolarHBondContact O-N 3.31Å
231	R	69.3	Low	79.3	Confident	159 Å²	159	91.3 Å²	91.3	60%	0.6	44%	0.444	S	S	*	.			trans	-58.5	118.2	169.6	-160.6	-166.3	-47.7	-84.5	-1.1	109.4	C233	R231-C233 WeakPolarHBondContact CD-O 3.05Å
232	V	79.8	Confident	79	Confident	38 Å²	38	90.3 Å²	90.3	23%	0.23	44%	0.443	C	S	.	.	S	Bend	trans	-72.1	-34.4	-168.9	-176.2	0	0	0	0	112.7	E223 R230 F244 V259	E223-V232 HydrophobicContact CB-CG2 4.27Å; R230-V232 PolarHBondContact O-N 3.31Å; V232-F244 HydrophobicContact CG1-CD1 4.43Å; V232-F244 HydrophobicContact CG1-CD2 4.12Å; V232-F244 HydrophobicContact CG1-CE1 3.88Å; V232-F244 HydrophobicContact CG1-CE2 3.55Å; V232-F244 HydrophobicContact CG1-CZ 3.4Å; V232-F244 VanDerWaalsContact CG1-CZ 3.4Å; V232-V259 HydrophobicContact CG1-CG1 4.44Å; V232-V259 WeakPolarHBondContact O-CB 3.02Å; V232-V259 WeakPolarHBondContact O-CG1 3.38Å
233	C	83.2	Confident	79	Confident	2 Å²	2	90.5 Å²	90.5	1%	0.014	45%	0.448	C	S	.	.	S	Bend	trans	-100.1	143.4	172.1	-59.7	0	0	0	0	111.2	R231 S236 C237 C246	R231-C233 WeakPolarHBondContact CD-O 3.05Å; C233-S236 WeakPolarHBondContact CB-O 3.47Å; C233-C237 HydrophobicContact CB-CB 3.98Å; C233-C237 VanDerWaalsContact SG-CB 3.54Å; C233-C246 WeakPolarHBondContact CA-SG 3.37Å; C233-C246 HydrophobicContact CB-CB 3.66Å; C233-C246 WeakPolarHBondContact CB-SG 3.31Å; C233-C246 WeakPolarHBondContact SG-CA 3.49Å; C233-C246 WeakPolarHBondContact SG-CB 3.46Å; C233-C246 CovalentContact SG-SG 2.03Å; C233-C246 PolarHBondContact SG-SG 2.8Å
234	H	83.1	Confident	79	Confident	117 Å²	117	92.5 Å²	92.5	54%	0.542	46%	0.457	S	S	.	.	S	Bend	trans	-66.1	-35.6	174.2	-174	102.2	0	0	0	113	V259	H234-V259 WeakPolarHBondContact CB-O 3.12Å; H234-V259 PolarHBondContact N-O 2.74Å
235	H	85.5	Confident	79.2	Confident	36 Å²	36	94.7 Å²	94.7	17%	0.167	47%	0.465	C	S	.	.	S	Bend	trans	-115.2	-116.4	177.7	-78.6	143.7	0	0	0	111.2	T247 R249 F252 C261	H235-T247 VanDerWaalsContact CB-O 3.24Å; H235-T247 WeakPolarHBondContact CB-O 3.27Å; H235-R249 HydrophobicContact CB-CG 4.49Å; H235-R249 PolarHBondContact ND1-N 3.46Å; H235-F252 AromaticContact CE1-CD2 3.99Å; H235-F252 AromaticContact CE1-CG 3.86Å; H235-C261 VanDerWaalsContact ND1-CB 3.33Å; H235-C261 WeakPolarHBondContact ND1-CB 3.2Å; H235-C261 PolarHBondContact ND1-SG 3.4Å
236	S	86.6	Confident	79.6	Confident	55 Å²	55	84.7 Å²	84.7	39%	0.385	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.3	-178.3	-71	0	0	0	0	110.6	C233 C246 T247	C233-S236 WeakPolarHBondContact CB-O 3.47Å; S236-C246 WeakPolarHBondContact O-CA 3.44Å; S236-T247 WeakPolarHBondContact CB-OG1 3.11Å; S236-T247 PolarHBondContact N-O 2.77Å; S236-T247 PolarHBondContact O-N 2.05Å
237	C	88.5	Confident	80.4	Confident	37 Å²	37	81.5 Å²	81.5	25%	0.25	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126	179.7	-170.9	0	0	0	0	108.9	C224 C233	C224-C237 WeakPolarHBondContact CA-SG 3.32Å; C224-C237 HydrophobicContact CB-CB 3.77Å; C224-C237 WeakPolarHBondContact CB-SG 3.43Å; C224-C237 WeakPolarHBondContact SG-CB 3.45Å; C224-C237 CovalentContact SG-SG 2.04Å; C224-C237 PolarHBondContact SG-SG 3.49Å; C233-C237 HydrophobicContact CB-CB 3.98Å; C233-C237 VanDerWaalsContact SG-CB 3.54Å
238	H	88.1	Confident	81.6	Confident	93 Å²	93	78 Å²	78	43%	0.431	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.7	174.1	-57	-82.9	0	0	0	108.9	L245 T247	H238-L245 HydrophobicContact CB-CB 4.5Å; H238-L245 PolarHBondContact N-O 2.95Å; H238-L245 PolarHBondContact O-N 3.15Å; H238-T247 PolarHBondContact CD2-OG1 2.81Å; H238-T247 VanDerWaalsContact CD2-OG1 3.27Å; H238-T247 PolarHBondContact NE2-OG1 2.91Å
239	N	86.4	Confident	83	Confident	53 Å²	53	79.1 Å²	79.1	28%	0.283	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.6	179.5	-158.7	76.1	0	0	0	110.7	D220 N222 E223	D220-N239 PolarHBondContact OD2-ND2 2.78Å; N222-N239 WeakPolarHBondContact CA-OD1 3.41Å; N222-N239 VanDerWaalsContact CG-CG 3.44Å; N222-N239 VanDerWaalsContact CG-OD1 3.25Å; N222-N239 WeakPolarHBondContact ND2-CB 3.31Å; N222-N239 PolarHBondContact ND2-ND2 3.18Å; N222-N239 PolarHBondContact ND2-OD1 3.2Å; E223-N239 PolarHBondContact N-OD1 2.82Å
240	T	86.4	Confident	84.2	Confident	57 Å²	57	76.2 Å²	76.2	35%	0.35	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	165.5	175.8	71.8	0	0	0	0	109.4	G242 S243 L245	T240-G242 PolarHBondContact O-N 2.76Å; T240-G242 VanDerWaalsContact O-N 3.08Å; T240-S243 CarbonylContact C-O 3.54Å; T240-S243 VanDerWaalsContact C-O 3.3Å; T240-S243 VanDerWaalsContact CA-O 3.32Å; T240-S243 WeakPolarHBondContact CA-O 3.03Å; T240-S243 WeakPolarHBondContact CB-O 3.28Å; T240-S243 PolarHBondContact N-O 2.74Å; T240-S243 PolarHBondContact O-N 3.12Å; T240-S243 VanDerWaalsContact OG1-C 3.28Å; T240-S243 PolarHBondContact OG1-O 3.47Å; T240-S243 PolarHBondContact OG1-OG 3.36Å; T240-L245 HydrophobicContact CG2-CB 4.47Å
241	V	86.4	Confident	85	Confident	129 Å²	129	68.2 Å²	68.2	78%	0.782	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	109.8	-176.9	177.6	0	0	0	0	110.1	F209	F209-V241 HydrophobicContact CE1-CG1 4.03Å; F209-V241 HydrophobicContact CZ-CG1 3.79Å
242	G	83.6	Confident	85.7	Confident	20 Å²	20	64.5 Å²	64.5	21%	0.206	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	3.2	-179.2	0	0	0	0	0	115.8	F209 D220 T240	F209-G242 VanDerWaalsContact CE2-CA 3.43Å; D220-G242 PolarHBondContact OD1-N 3.38Å; T240-G242 PolarHBondContact O-N 2.76Å; T240-G242 VanDerWaalsContact O-N 3.08Å
243	S	86.4	Confident	85.9	Confident	59 Å²	59	69.4 Å²	69.4	41%	0.413	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	177.7	176.5	71.8	0	0	0	0	113	T240	T240-S243 CarbonylContact C-O 3.54Å; T240-S243 VanDerWaalsContact C-O 3.3Å; T240-S243 VanDerWaalsContact CA-O 3.32Å; T240-S243 WeakPolarHBondContact CA-O 3.03Å; T240-S243 WeakPolarHBondContact CB-O 3.28Å; T240-S243 PolarHBondContact N-O 2.74Å; T240-S243 PolarHBondContact O-N 3.12Å; T240-S243 VanDerWaalsContact OG1-C 3.28Å; T240-S243 PolarHBondContact OG1-O 3.47Å; T240-S243 PolarHBondContact OG1-OG 3.36Å
244	F	87.9	Confident	86.1	Confident	63 Å²	63	72.3 Å²	72.3	28%	0.276	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.8	175.1	63.1	-82.6	0	0	0	112	E223 V232 V259	E223-F244 HydrophobicContact CB-CB 4.26Å; E223-F244 HydrophobicContact CB-CD1 3.71Å; E223-F244 HydrophobicContact CB-CE1 4.39Å; E223-F244 HydrophobicContact CB-CG 4.09Å; E223-F244 HydrophobicContact CG-CD1 3.74Å; E223-F244 HydrophobicContact CG-CE1 4.22Å; E223-F244 WeakPolarHBondContact OE2-CD1 3.42Å; V232-F244 HydrophobicContact CG1-CD1 4.43Å; V232-F244 HydrophobicContact CG1-CD2 4.12Å; V232-F244 HydrophobicContact CG1-CE1 3.88Å; V232-F244 HydrophobicContact CG1-CE2 3.55Å; V232-F244 HydrophobicContact CG1-CZ 3.4Å; V232-F244 VanDerWaalsContact CG1-CZ 3.4Å; F244-V259 HydrophobicContact CE2-CG1 3.78Å; F244-V259 HydrophobicContact CZ-CG1 4.03Å
245	L	89.1	Confident	86.3	Confident	92 Å²	92	72.9 Å²	72.9	48%	0.482	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.2	174.5	177.5	64	0	0	0	110.3	H238 T240 T247	H238-L245 HydrophobicContact CB-CB 4.5Å; H238-L245 PolarHBondContact N-O 2.95Å; H238-L245 PolarHBondContact O-N 3.15Å; T240-L245 HydrophobicContact CG2-CB 4.47Å; L245-T247 HydrophobicContact CD2-CG2 4.42Å; L245-T247 HydrophobicContact CG-CG2 4.29Å
246	C	89.4	Confident	86.2	Confident	5 Å²	5	76.3 Å²	76.3	3%	0.034	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.4	171	-58.4	0	0	0	0	111.3	C233 S236 L254 R258	C233-C246 WeakPolarHBondContact CA-SG 3.37Å; C233-C246 HydrophobicContact CB-CB 3.66Å; C233-C246 WeakPolarHBondContact CB-SG 3.31Å; C233-C246 WeakPolarHBondContact SG-CA 3.49Å; C233-C246 WeakPolarHBondContact SG-CB 3.46Å; C233-C246 CovalentContact SG-SG 2.03Å; C233-C246 PolarHBondContact SG-SG 2.8Å; S236-C246 WeakPolarHBondContact O-CA 3.44Å; C246-L254 HydrophobicContact CB-CD1 3.88Å; C246-R258 WeakPolarHBondContact CB-O 3.35Å; C246-R258 PolarHBondContact SG-O 3.04Å
247	T	88.2	Confident	86.1	Confident	49 Å²	49	77 Å²	77	30%	0.301	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.2	176.2	54.5	0	0	0	0	111	H235 S236 H238 L245	H235-T247 VanDerWaalsContact CB-O 3.24Å; H235-T247 WeakPolarHBondContact CB-O 3.27Å; S236-T247 WeakPolarHBondContact CB-OG1 3.11Å; S236-T247 PolarHBondContact N-O 2.77Å; S236-T247 PolarHBondContact O-N 2.05Å; H238-T247 PolarHBondContact CD2-OG1 2.81Å; H238-T247 VanDerWaalsContact CD2-OG1 3.27Å; H238-T247 PolarHBondContact NE2-OG1 2.91Å; L245-T247 HydrophobicContact CD2-CG2 4.42Å; L245-T247 HydrophobicContact CG-CG2 4.29Å
248	C	88.7	Confident	85.7	Confident	34 Å²	34	84.2 Å²	84.2	23%	0.23	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-91.2	149.7	-177.8	-60	0	0	0	0	111.8	F252 R253 L254 C261	C248-F252 HydrophobicContact CB-CB 4.02Å; C248-R253 VanDerWaalsContact SG-C 3.56Å; C248-L254 VanDerWaalsContact SG-CA 3.51Å; C248-L254 PolarHBondContact SG-N 2.79Å; C248-C261 WeakPolarHBondContact CA-SG 3.27Å; C248-C261 HydrophobicContact CB-CB 3.9Å; C248-C261 WeakPolarHBondContact CB-SG 3.17Å; C248-C261 WeakPolarHBondContact SG-CB 3.36Å; C248-C261 CovalentContact SG-SG 2.04Å; C248-C261 PolarHBondContact SG-SG 2.9Å
249	R	87.3	Confident	85.6	Confident	159 Å²	159	81.8 Å²	81.8	60%	0.6	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-67.6	153.3	171.1	-65.7	178	176.8	-179.5	-2	110.6	H235 G251 F252	H235-R249 HydrophobicContact CB-CG 4.49Å; H235-R249 PolarHBondContact ND1-N 3.46Å; R249-G251 PolarHBondContact O-N 2.03Å; R249-F252 PolarHBondContact O-N 2.04Å; R249-F252 VanDerWaalsContact O-N 3.15Å
250	P	82.6	Confident	85.6	Confident	132 Å²	132	81 Å²	81	86%	0.857	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	139.9	173.7	-27.3	35.5	0	0	0	112.1
251	G	78.1	Confident	85.7	Confident	43 Å²	43	78.9 Å²	78.9	44%	0.443	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-5.4	-171.5	0	0	0	0	0	115	R249 A263 F264	R249-G251 PolarHBondContact O-N 2.03Å; G251-A263 WeakPolarHBondContact O-CA 3.17Å; G251-F264 VanDerWaalsContact O-CD2 3.28Å; G251-F264 WeakPolarHBondContact O-CD2 3.11Å; G251-F264 PolarHBondContact O-N 2.75Å
252	F	84.9	Confident	85.7	Confident	82 Å²	82	75.4 Å²	75.4	36%	0.36	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.7	178.7	-60.6	-106.1	0	0	0	111.7	H235 C248 R249 C261 E262 A263	H235-F252 AromaticContact CE1-CD2 3.99Å; H235-F252 AromaticContact CE1-CG 3.86Å; C248-F252 HydrophobicContact CB-CB 4.02Å; R249-F252 PolarHBondContact O-N 2.04Å; R249-F252 VanDerWaalsContact O-N 3.15Å; F252-C261 HydrophobicContact CB-CB 4.14Å; F252-C261 HydrophobicContact CD1-CB 4.47Å; F252-E262 CarbonylContact C-O 3.54Å; F252-E262 VanDerWaalsContact CA-O 3.25Å; F252-E262 WeakPolarHBondContact CA-O 3.13Å; F252-A263 HydrophobicContact CD1-CB 3.92Å; F252-A263 HydrophobicContact CE1-CB 3.82Å; F252-A263 HydrophobicContact CZ-CB 4.43Å
253	R	84.6	Confident	85.5	Confident	140 Å²	140	77.3 Å²	77.3	53%	0.528	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	153.2	169.4	69.7	178.9	-171.2	176.6	2.8	111.1	C248 C261 E262 F264	C248-R253 VanDerWaalsContact SG-C 3.56Å; R253-C261 CarbonylContact O-C 3.05Å; R253-C261 WeakPolarHBondContact O-CA 3.45Å; R253-E262 HydrophobicContact CG-CG 3.78Å; R253-E262 IonicContact CZ-OE1 3.69Å; R253-E262 PolarHBondContact N-O 2.77Å; R253-E262 IonicContact NE-OE1 3.98Å; R253-E262 PolarHBondContact NE-OE1 3.28Å; R253-E262 IonicContact NH2-OE1 2.66Å; R253-E262 PolarHBondContact NH2-OE1 3.09Å; R253-E262 PolarHBondContact O-N 3.48Å; R253-F264 HydrophobicContact CB-CE1 4.08Å; R253-F264 HydrophobicContact CB-CZ 4.06Å
254	L	86.8	Confident	84.9	Confident	63 Å²	63	80.1 Å²	80.1	33%	0.33	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.1	174.5	-165	73	0	0	0	109.7	C246 C248 R258 S260	C246-L254 HydrophobicContact CB-CD1 3.88Å; C248-L254 VanDerWaalsContact SG-CA 3.51Å; C248-L254 PolarHBondContact SG-N 2.79Å; L254-R258 HydrophobicContact CD2-CB 4.2Å; L254-R258 HydrophobicContact CD2-CG 4.21Å; L254-S260 WeakPolarHBondContact CD1-O 3.4Å
255	R	86.6	Confident	84	Confident	130 Å²	130	82.4 Å²	82.4	49%	0.491	44%	0.439	S	S	.	.			trans	-74.1	166.9	176.2	-100.8	-177.1	153.6	-152.7	-4.2	112.4	D257 R258 S260 E262	R255-D257 VanDerWaalsContact CB-OD1 3.25Å; R255-D257 WeakPolarHBondContact CB-OD1 3.46Å; R255-D257 PolarHBondContact O-N 3.3Å; R255-R258 PolarHBondContact O-N 3.45Å; R255-S260 PolarHBondContact N-O 2.8Å; R255-E262 HydrophobicContact CG-CB 4.35Å; R255-E262 HydrophobicContact CG-CG 3.95Å; R255-E262 WeakPolarHBondContact CG-OE2 3.4Å; R255-E262 IonicContact CZ-OE2 3.65Å; R255-E262 IonicContact NE-OE2 3.72Å; R255-E262 PolarHBondContact NE-OE2 3.2Å
256	A	83.9	Confident	82.4	Confident	107 Å²	107	88.8 Å²	88.8	88%	0.884	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.4	172.7	0	0	0	0	0	113.7	R258	A256-R258 PolarHBondContact O-N 3.35Å
257	D	83.9	Confident	80.8	Confident	71 Å²	71	92.2 Å²	92.2	38%	0.38	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.2	172.4	62	24.9	0	0	0	113.8	R255 V259 S260	R255-D257 VanDerWaalsContact CB-OD1 3.25Å; R255-D257 WeakPolarHBondContact CB-OD1 3.46Å; R255-D257 PolarHBondContact O-N 3.3Å; D257-V259 HydrophobicContact CB-CG2 3.96Å; D257-V259 PolarHBondContact O-N 2.82Å; D257-V259 PolarHBondContact OD1-N 2.62Å; D257-S260 WeakPolarHBondContact OD1-CB 3.35Å; D257-S260 PolarHBondContact OD1-N 3.37Å; D257-S260 WeakPolarHBondContact OD2-CB 3.22Å; D257-S260 PolarHBondContact OD2-OG 3.35Å
258	R	81.2	Confident	78.7	Confident	188 Å²	188	96.6 Å²	96.6	71%	0.709	52%	0.518	S	S	*	.	S	Bend	trans	59.2	13.6	-176.3	-69.1	-178.5	-86.8	-169.7	-6	115.8	C246 L254 R255 A256	C246-R258 WeakPolarHBondContact CB-O 3.35Å; C246-R258 PolarHBondContact SG-O 3.04Å; L254-R258 HydrophobicContact CD2-CB 4.2Å; L254-R258 HydrophobicContact CD2-CG 4.21Å; R255-R258 PolarHBondContact O-N 3.45Å; A256-R258 PolarHBondContact O-N 3.35Å
259	V	84.5	Confident	76.7	Confident	42 Å²	42	103.9 Å²	103.9	26%	0.255	55%	0.553	S	S	.	*	S	Bend	trans	-123.5	-32.1	177	-77	0	0	0	0	113.8	V232 H234 F244 D257	V232-V259 HydrophobicContact CG1-CG1 4.44Å; V232-V259 WeakPolarHBondContact O-CB 3.02Å; V232-V259 WeakPolarHBondContact O-CG1 3.38Å; H234-V259 WeakPolarHBondContact CB-O 3.12Å; H234-V259 PolarHBondContact N-O 2.74Å; F244-V259 HydrophobicContact CE2-CG1 3.78Å; F244-V259 HydrophobicContact CZ-CG1 4.03Å; D257-V259 HydrophobicContact CB-CG2 3.96Å; D257-V259 PolarHBondContact O-N 2.82Å; D257-V259 PolarHBondContact OD1-N 2.62Å
260	S	87.1	Confident	74.2	Confident	35 Å²	35	100.2 Å²	100.2	25%	0.245	56%	0.557	C	S	.	*			trans	-92.1	153.2	-179.3	-52.4	0	0	0	0	111.8	L254 R255 D257	L254-S260 WeakPolarHBondContact CD1-O 3.4Å; R255-S260 PolarHBondContact N-O 2.8Å; D257-S260 WeakPolarHBondContact OD1-CB 3.35Å; D257-S260 PolarHBondContact OD1-N 3.37Å; D257-S260 WeakPolarHBondContact OD2-CB 3.22Å; D257-S260 PolarHBondContact OD2-OG 3.35Å
261	C	87.9	Confident	72.5	Confident	14 Å²	14	99.5 Å²	99.5	10%	0.095	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	132.9	172.7	-65.8	0	0	0	0	109.9	H235 C248 F252 R253	H235-C261 VanDerWaalsContact ND1-CB 3.33Å; H235-C261 WeakPolarHBondContact ND1-CB 3.2Å; H235-C261 PolarHBondContact ND1-SG 3.4Å; C248-C261 WeakPolarHBondContact CA-SG 3.27Å; C248-C261 HydrophobicContact CB-CB 3.9Å; C248-C261 WeakPolarHBondContact CB-SG 3.17Å; C248-C261 WeakPolarHBondContact SG-CB 3.36Å; C248-C261 CovalentContact SG-SG 2.04Å; C248-C261 PolarHBondContact SG-SG 2.9Å; F252-C261 HydrophobicContact CB-CB 4.14Å; F252-C261 HydrophobicContact CD1-CB 4.47Å; R253-C261 CarbonylContact O-C 3.05Å; R253-C261 WeakPolarHBondContact O-CA 3.45Å
262	E	87.9	Confident	70.7	Confident	56 Å²	56	103.1 Å²	103.1	26%	0.262	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.3	139.9	175.5	59.9	-177.3	-146.6	0	0	110.5	F252 R253 R255	F252-E262 CarbonylContact C-O 3.54Å; F252-E262 VanDerWaalsContact CA-O 3.25Å; F252-E262 WeakPolarHBondContact CA-O 3.13Å; R253-E262 HydrophobicContact CG-CG 3.78Å; R253-E262 IonicContact CZ-OE1 3.69Å; R253-E262 PolarHBondContact N-O 2.77Å; R253-E262 IonicContact NE-OE1 3.98Å; R253-E262 PolarHBondContact NE-OE1 3.28Å; R253-E262 IonicContact NH2-OE1 2.66Å; R253-E262 PolarHBondContact NH2-OE1 3.09Å; R253-E262 PolarHBondContact O-N 3.48Å; R255-E262 HydrophobicContact CG-CB 4.35Å; R255-E262 HydrophobicContact CG-CG 3.95Å; R255-E262 WeakPolarHBondContact CG-OE2 3.4Å; R255-E262 IonicContact CZ-OE2 3.65Å; R255-E262 IonicContact NE-OE2 3.72Å; R255-E262 PolarHBondContact NE-OE2 3.2Å
263	A	79.4	Confident	68.4	Low	59 Å²	59	102.8 Å²	102.8	49%	0.488	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.7	148.6	-177.7	0	0	0	0	0	111.1	G251 F252	G251-A263 WeakPolarHBondContact O-CA 3.17Å; F252-A263 HydrophobicContact CD1-CB 3.92Å; F252-A263 HydrophobicContact CE1-CB 3.82Å; F252-A263 HydrophobicContact CZ-CB 4.43Å
264	F	73.9	Confident	66.1	Low	119 Å²	119	103.7 Å²	103.7	52%	0.522	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-63.1	134.7	166.6	-66.8	-72.2	0	0	0	109.8	G251 R253 K266	G251-F264 VanDerWaalsContact O-CD2 3.28Å; G251-F264 WeakPolarHBondContact O-CD2 3.11Å; G251-F264 PolarHBondContact O-N 2.75Å; R253-F264 HydrophobicContact CB-CE1 4.08Å; R253-F264 HydrophobicContact CB-CZ 4.06Å; F264-K266 PolarHBondContact O-N 2.86Å
265	P	67.5	Low	63.7	Low	111 Å²	111	108.6 Å²	108.6	72%	0.721	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-55.1	135.2	170.6	-24.6	34.4	0	0	0	110.6	A267	P265-A267 PolarHBondContact O-N 3.43Å
266	K	56.7	Low	61.4	Low	225 Å²	225	110.9 Å²	110.9	98%	0.978	64%	0.639	S	S	*	*	S	Bend	trans	-75.2	73.4	178.7	-73.3	-173.6	176.8	-179.4	0	111.5	F264	F264-K266 PolarHBondContact O-N 2.86Å
267	A	55.3	Low	59.5	Low	78 Å²	78	111 Å²	111	65%	0.645	63%	0.631	S	S	*	*			trans	-138.1	144.3	167.5	0	0	0	0	0	109.4	P265	P265-A267 PolarHBondContact O-N 3.43Å
268	V	44.5	Very low	57.1	Low	140 Å²	140	119.4 Å²	119.4	85%	0.848	66%	0.657	S	S	*	*			trans	62.2	60.1	-178.7	-158.5	0	0	0	0	114.4
269	L	46.2	Very low	55.1	Low	187 Å²	187	118.9 Å²	118.9	98%	0.979	66%	0.663	S	S	*	*			trans	-91.3	105	143.3	-100.8	169.1	0	0	0	107.8
270	A	34.3	Very low	52.9	Low	83 Å²	83	124.8 Å²	124.8	69%	0.686	69%	0.687	S	S	*	*			trans	-147.7	126.1	169.8	0	0	0	0	0	108.7
271	P	48	Very low	50.8	Low	116 Å²	116	129.3 Å²	129.3	75%	0.753	72%	0.716	S	S	*	*			trans	-98.9	156.2	-172.1	36.8	-34.6	0	0	0	114.2
272	S	40	Very low	48.6	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	74%	0.744	S	S	*	*			trans	69.6	153.3	157.5	-60.4	0	0	0	0	118.8
273	A	36.6	Very low	45.9	Very low	75 Å²	75	139.5 Å²	139.5	62%	0.62	77%	0.77	S	S	*	*			cis	-170.2	169.2	-25.9	0	0	0	0	0	109.3
274	I	36.3	Very low	43.4	Very low	159 Å²	159	144.1 Å²	144.1	82%	0.815	78%	0.783	S	S	*	*			trans	72.5	127.9	166.5	-50.4	154.1	0	0	0	112.4
275	L	36.4	Very low	41.8	Very low	167 Å²	167	145.6 Å²	145.6	87%	0.874	80%	0.796	S	S	*	*			cis	-121.3	168.7	30.2	-74.5	164.5	0	0	0	115.7
276	Q	38.8	Very low	39.8	Very low	178 Å²	178	147.4 Å²	147.4	83%	0.832	80%	0.799	S	S	*	*			trans	-95	-178.1	172.4	-84.1	179.8	-41.5	0	0	112.1
277	P	43.9	Very low	38.4	Very low	110 Å²	110	144 Å²	144	71%	0.714	79%	0.79	S	S	*	*			cis	-133.6	155.5	-28.5	30.3	-12.6	0	0	0	114.3
278	R	32.8	Very low	37.2	Very low	247 Å²	247	147.7 Å²	147.7	93%	0.932	80%	0.799	S	S	*	*			trans	-160.2	76	147.9	-109.9	-73.4	153.2	89	-1.9	110.5
279	Q	38.3	Very low	37.4	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	79%	0.793	S	S	*	*			trans	-80.8	124.8	174	-74.8	-178.1	-24.1	0	0	110.8
280	H	39	Very low	36.6	Very low	166 Å²	166	146.7 Å²	146.7	77%	0.769	79%	0.789	S	S	*	*				34.3	141.2	121.2	-78.4	-40.4	0	0	0	119.8
281	P	42.8	Very low	36.5	Very low	130 Å²	130	147.5 Å²	147.5	84%	0.844	80%	0.796	S	S	*	*				-139.7	162	61.6	40	-24.6	0	0	0	117.6
282	S	41.9	Very low	35.6	Very low	97 Å²	97	145.7 Å²	145.7	68%	0.678	80%	0.799	S	S	*	*			trans	-113.7	128	157.4	32.3	0	0	0	0	109.1
283	K	31.9	Very low	35.1	Very low	186 Å²	186	151.8 Å²	151.8	81%	0.809	80%	0.804	S	S	*	*			trans	-172	149.8	150.7	-124.4	-179.1	178.6	-178.9	0	117
284	M	27	Very low	35.3	Very low	156 Å²	156	154 Å²	154	77%	0.768	81%	0.811	S	S	*	*			trans	76.8	141.8	144.4	-124.2	81.9	131.1	0	0	121.8
285	L	38.8	Very low	34.8	Very low	151 Å²	151	150.6 Å²	150.6	79%	0.791	81%	0.807	S	S	*	*			trans	-66	161.1	160.5	-81.7	63.5	0	0	0	111.8
286	L	26.9	Very low	34.4	Very low	149 Å²	149	151 Å²	151	78%	0.78	81%	0.809	S	S	*	*				-179.4	137	108.4	-92.2	163	0	0	0	114.1
287	L	26.2	Very low	33.8	Very low	152 Å²	152	147.5 Å²	147.5	80%	0.796	80%	0.804	S	S	*	*			trans	68.3	160.9	149.2	-67.2	166.3	0	0	0	122.6
288	L	30	Very low	33.6	Very low	157 Å²	157	148 Å²	148	82%	0.822	81%	0.808	S	S	*	*			trans	-98.8	-168.2	179.3	-53.5	76.1	0	0	0	109.3
289	P	50.4	Low	33.2	Very low	113 Å²	113	139.4 Å²	139.4	73%	0.734	80%	0.796	S	S	*	*			cis	-135.1	-175.8	-8.3	40.1	-21	0	0	0	114.9
290	E	27.9	Very low	32.8	Very low	192 Å²	192	140.2 Å²	140.2	90%	0.897	80%	0.799	S	S	*	*				175.3	175.2	124.9	-88.8	-111.4	77.4	0	0	111.8
291	A	31.6	Very low	32.3	Very low	100 Å²	100	137.7 Å²	137.7	83%	0.826	80%	0.8	S	S	*	*			trans	-102.3	163.1	-161.9	0	0	0	0	0	116.2
292	G	29.1	Very low	32.3	Very low	79 Å²	79	137 Å²	137	81%	0.814	80%	0.796	S	S	*	*			trans	-169.3	92	173.8	0	0	0	0	0	115
293	R	31	Very low	32.6	Very low	247 Å²	247	137.3 Å²	137.3	93%	0.932	80%	0.796	S	S	*	*			trans	-83.9	160.1	158.7	-79.3	-176.3	177.2	-169.1	0	108.7
294	P	40.1	Very low	32.4	Very low	121 Å²	121	134.5 Å²	134.5	79%	0.786	80%	0.799	S	S	*	*			cis	-124.2	148	33.7	18.6	6.2	0	0	0	114.7
295	A	25.7	Very low	32.5	Very low	87 Å²	87	131 Å²	131	72%	0.719	80%	0.803	S	S	*	*				74.2	114.6	73.2	0	0	0	0	0	115.6
296	L	28.5	Very low	32.3	Very low	175 Å²	175	128.6 Å²	128.6	92%	0.916	81%	0.805	S	S	*	*			trans	177.7	154	134.3	-96.3	166.5	0	0	0	111.4
297	S	25.5	Very low	32.6	Very low	105 Å²	105	128 Å²	128	73%	0.734	81%	0.81	S	S	*	*			trans	-121.3	-178.4	169	-45.7	0	0	0	0	107.8
298	P	39.8	Very low	32.7	Very low	121 Å²	121	124.2 Å²	124.2	79%	0.786	81%	0.808	S	S	*	*			cis	-137.1	169.4	-4.3	41.1	-24.7	0	0	0	116.2
299	G	25.4	Very low	33.7	Very low	66 Å²	66	122.7 Å²	122.7	68%	0.68	81%	0.807	S	S	*	*			trans	98.5	161.9	132.4	0	0	0	0	0	121.6
300	H	29.9	Very low	33.8	Very low	194 Å²	194	123.1 Å²	123.1	90%	0.898	81%	0.81	S	S	*	*			trans	74.7	118.8	161.9	-61.5	66.4	0	0	0	120.1
301	S	27.4	Very low	34.1	Very low	113 Å²	113	119.1 Å²	119.1	79%	0.79	81%	0.81	S	S	*	*			trans	-85.8	-175.4	162.2	-25.3	0	0	0	0	110.6
302	P	44.1	Very low	34.1	Very low	116 Å²	116	117.6 Å²	117.6	75%	0.753	80%	0.804	S	S	*	*			cis	-131.5	-137.5	-13.9	42.3	-22.1	0	0	0	109.7
303	P	47.5	Very low	34.3	Very low	104 Å²	104	120.1 Å²	120.1	68%	0.675	80%	0.803	S	S	*	*			cis	-123.4	177.1	-46.3	35.8	-19.9	0	0	0	114.3
304	S	28.6	Very low	34.2	Very low	126 Å²	126	118.9 Å²	118.9	88%	0.881	80%	0.799	S	S	*	*			trans	58.4	129.8	145.5	-65.8	0	0	0	0	123.4
305	G	28.7	Very low	33.9	Very low	82 Å²	82	118.5 Å²	118.5	85%	0.845	79%	0.794	S	S	*	*			trans	155.8	97.8	155.5	0	0	0	0	0	115.9
306	A	33.3	Very low	34	Very low	102 Å²	102	120.6 Å²	120.6	84%	0.843	80%	0.798	S	S	*	*			trans	-93.4	152.6	170.6	0	0	0	0	0	112
307	P	33.2	Very low	34	Very low	136 Å²	136	123.2 Å²	123.2	88%	0.883	80%	0.796	S	S	*	*				-140.3	170.5	122.8	37.6	-25.2	0	0	0	113.8
308	G	28.4	Very low	34.1	Very low	72 Å²	72	124.6 Å²	124.6	74%	0.742	79%	0.794	S	S	*	*			trans	-139.3	-161.6	-162.2	0	0	0	0	0	119.6
309	P	52.2	Low	34.2	Very low	126 Å²	126	124.6 Å²	124.6	82%	0.818	79%	0.794	S	S	*	*			trans	-96.9	-162.5	-169.6	44.6	-40.8	0	0	0	111.9
310	P	52.5	Low	34.3	Very low	122 Å²	122	126 Å²	126	79%	0.792	79%	0.793	S	S	*	*			cis	-137.1	-175.6	1.8	44.4	-26.8	0	0	0	116.6
311	A	34.3	Very low	34.9	Very low	108 Å²	108	122.5 Å²	122.5	89%	0.893	79%	0.788	S	S	*	*			trans	-150.2	136.7	161.3	0	0	0	0	0	115.2
312	G	30.2	Very low	34.8	Very low	68 Å²	68	123.7 Å²	123.7	70%	0.701	79%	0.791	S	S	*	*			trans	130.6	62.1	166.2	0	0	0	0	0	116.6
313	V	35.1	Very low	35.5	Very low	132 Å²	132	123.7 Å²	123.7	80%	0.8	79%	0.791	S	S	*	*				69.7	123.1	83.8	179	0	0	0	0	112.5
314	R	28.6	Very low	35.1	Very low	221 Å²	221	124.4 Å²	124.4	83%	0.834	80%	0.795	S	S	*	*				-162.3	117.8	61.7	-157.1	159.1	-170.8	-170	3.5	116.6
315	T	32.3	Very low	34.9	Very low	113 Å²	113	125.9 Å²	125.9	69%	0.693	79%	0.793	S	S	*	*			trans	27.4	142.1	140	67.8	0	0	0	0	121.7
316	T	28.8	Very low	35.4	Very low	131 Å²	131	126.8 Å²	126.8	80%	0.804	78%	0.784	S	S	*	*				-169.9	166.9	56.3	40.1	0	0	0	0	111.7
317	R	27.5	Very low	34.8	Very low	230 Å²	230	127.8 Å²	127.8	87%	0.868	78%	0.779	S	S	*	*			cis	-167.4	151.7	-18.3	172.1	177.2	179	-130.4	-3.5	110.7
318	L	28.8	Very low	34.4	Very low	133 Å²	133	126 Å²	126	70%	0.696	77%	0.77	S	S	*	*			trans	-42.8	167.8	165.3	-102.4	72.1	0	0	0	120.1
319	P	41.8	Very low	34.6	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	77%	0.77	S	S	*	*			cis	-138.5	169.7	43.6	42	-23.8	0	0	0	120.8
320	S	26.2	Very low	33.9	Very low	94 Å²	94	126.9 Å²	126.9	66%	0.657	77%	0.765	S	S	*	*			trans	-99.4	-172.6	171.2	62.9	0	0	0	0	110.5
321	P	43.1	Very low	32.7	Very low	121 Å²	121	125.8 Å²	125.8	79%	0.786	76%	0.761	S	S	*	*			cis	-146.3	-151.1	43	43.9	-20	0	0	0	116.2
322	T	26.6	Very low	32.6	Very low	139 Å²	139	125.1 Å²	125.1	85%	0.853	76%	0.755	S	S	*	*			trans	-115.7	-166.7	-160.4	-3	0	0	0	0	114.1
323	P	57.3	Low	33.4	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	76%	0.755	S	S	*	*			trans	-103.8	-173.9	-142	48.6	-41.1	0	0	0	115.2
324	P	40.8	Very low	33	Very low	119 Å²	119	126.6 Å²	126.6	77%	0.773	75%	0.753	S	S	*	*				-153.5	-165	81.4	42.5	-20.9	0	0	0	116.8
325	L	24.3	Very low	33	Very low	158 Å²	158	126.7 Å²	126.7	83%	0.827	75%	0.753	S	S	*	*			trans	-48.2	174.3	169.2	-92.9	70.8	0	0	0	117
326	P	38.4	Very low	32.8	Very low	101 Å²	101	128.3 Å²	128.3	66%	0.656	76%	0.756	S	S	*	*			cis	-141.8	-166.8	-14.1	32.3	-8.3	0	0	0	115.7
327	T	21.5	Very low	32.8	Very low	122 Å²	122	129 Å²	129	75%	0.748	76%	0.755	S	S	*	*			trans	73.9	131.7	146.1	37.9	0	0	0	0	124
328	S	24.2	Very low	33.1	Very low	98 Å²	98	122.5 Å²	122.5	69%	0.685	75%	0.745	S	S	*	*			trans	63	109.5	140.6	62.3	0	0	0	0	122.9
329	S	33.1	Very low	33.2	Very low	106 Å²	106	122.2 Å²	122.2	74%	0.741	75%	0.748	S	S	*	*				31.4	144.3	112.9	71.2	0	0	0	0	120.4
330	P	36.4	Very low	32.5	Very low	111 Å²	111	123 Å²	123	72%	0.721	75%	0.745	S	S	*	*				-157.2	172.7	73	41.7	-21.5	0	0	0	119.5
331	S	28.2	Very low	32.7	Very low	100 Å²	100	126.5 Å²	126.5	70%	0.699	75%	0.753	S	S	*	*			trans	55.3	130.6	145.8	59.8	0	0	0	0	120.9
332	A	32	Very low	31.9	Very low	93 Å²	93	125 Å²	125	77%	0.769	75%	0.75	S	S	*	*			cis	64.2	154.7	45	0	0	0	0	0	113.1
333	P	46.5	Very low	31.9	Very low	110 Å²	110	124.6 Å²	124.6	71%	0.714	75%	0.748	S	S	*	*			cis	-122.2	177.4	18.5	30	-6.8	0	0	0	114
334	V	27.6	Very low	31.2	Very low	122 Å²	122	125 Å²	125	74%	0.739	75%	0.751	S	S	*	*				-173.6	137.7	75.5	160.3	0	0	0	0	108.6
335	W	28.7	Very low	30.6	Very low	222 Å²	222	125.6 Å²	125.6	84%	0.841	75%	0.752	S	S	*	*			cis	-137.6	-89.6	-7	-139.8	-14.2	0	0	0	114.6
336	L	28.1	Very low	31.6	Very low	147 Å²	147	122.9 Å²	122.9	77%	0.77	74%	0.744	S	S	*	*			cis	-156.5	173.5	-13.4	-128.6	-174.7	0	0	0	111
337	L	27.7	Very low	31.1	Very low	147 Å²	147	124.3 Å²	124.3	77%	0.77	75%	0.751	S	S	*	*			trans	-76.1	148	179	-81.9	73.7	0	0	0	111.8
338	S	33.4	Very low	31.2	Very low	93 Å²	93	122.6 Å²	122.6	65%	0.65	75%	0.749	S	S	*	*			cis	-170.2	170.1	-0.5	-99.7	0	0	0	0	106.8
339	T	31.4	Very low	31.4	Very low	126 Å²	126	121.9 Å²	121.9	77%	0.773	74%	0.744	S	S	*	*			cis	-154.7	-157.2	8.9	-1.7	0	0	0	0	106.2
340	L	28.1	Very low	31.3	Very low	139 Å²	139	122.4 Å²	122.4	73%	0.728	74%	0.738	S	S	*	*			cis	-144.9	-129.6	4.6	-141.7	176.7	0	0	0	110
341	M	28.5	Very low	30.9	Very low	168 Å²	168	124.6 Å²	124.6	83%	0.828	74%	0.743	S	S	*	*			trans	-160.9	160.3	-165.9	-67.7	-61.3	172.2	0	0	108.7
342	A	27	Very low	30.8	Very low	88 Å²	88	122.7 Å²	122.7	73%	0.727	74%	0.739	S	S	*	*			cis	-167.8	178.9	-13.7	0	0	0	0	0	110.9
343	T	27.3	Very low	30.5	Very low	132 Å²	132	125.5 Å²	125.5	81%	0.81	74%	0.741	S	S	*	*			trans	-68.1	175.2	173.3	52.9	0	0	0	0	113.9
344	P	41.1	Very low	29.6	Very low	124 Å²	124	128.6 Å²	128.6	81%	0.805	75%	0.751	S	S	*	*			cis	-144.9	-163.3	20.9	43.9	-21.2	0	0	0	118.5
345	V	29	Very low	29.3	Very low	131 Å²	131	134 Å²	134	79%	0.794	76%	0.758	S	S	*	*			trans	-80.7	167.7	-178.2	169.4	0	0	0	0	112.3
346	P	46.2	Very low	29.9	Very low	101 Å²	101	128.2 Å²	128.2	66%	0.656	75%	0.749	S	S	*	*			cis	-134	-176.5	-3.1	27.7	-2.9	0	0	0	118.2
347	T	26.2	Very low	30.5	Very low	130 Å²	130	126 Å²	126	80%	0.798	74%	0.743	S	S	*	*			trans	75	131.5	142.2	36	0	0	0	0	125.5
348	A	25.1	Very low	30.5	Very low	86 Å²	86	122.3 Å²	122.3	71%	0.711	73%	0.729	S	S	*	*			trans	73.6	106.3	134.8	0	0	0	0	0	124.6
349	S	28.8	Very low	30.3	Very low	84 Å²	84	119.8 Å²	119.8	59%	0.587	71%	0.709	S	S	*	*				63.5	126.1	124.1	-58.4	0	0	0	0	125
350	L	29.6	Very low	30.1	Very low	117 Å²	117	114.9 Å²	114.9	61%	0.613	68%	0.677	S	S	*	*			trans	89.3	107.2	134.2	-76.4	164.5	0	0	0	123.9	M1	M1-L350 HydrophobicContact CG-CD1 4.17Å; M1-L350 HydrophobicContact CG-CD2 3.6Å; M1-L350 HydrophobicContact CG-CG 3.87Å; M1-L350 HydrophobicContact SD-CD2 3.94Å; M1-L350 HydrophobicContact SD-CG 4.09Å
351	L	29	Very low	29.9	Very low	156 Å²	156	111.5 Å²	111.5	82%	0.817	66%	0.658	S	S	*	*				100.4	131.9	112.4	-164.3	144	0	0	0	122.6
352	G	25.8	Very low	30.1	Very low	60 Å²	60	109.9 Å²	109.9	62%	0.619	64%	0.643	S	S	*	*			trans	121.1	142.3	162.5	0	0	0	0	0	114.2
353	N	25.6	Very low	30.4	Very low	153 Å²	153	111.3 Å²	111.3	82%	0.818	63%	0.634	S	S	*	*			cis	-164.6	178	-4.7	-109.7	-32.7	0	0	0	111.7
354	L	27.6	Very low	30.7	Very low	174 Å²	174	110.5 Å²	110.5	91%	0.911	63%	0.629	S	S	*	*			trans	96.2	161.4	166.9	-52.3	179.8	0	0	0	119.6
355	R	21.7	Very low	30.4	Very low	237 Å²	237	111.6 Å²	111.6	89%	0.894	63%	0.625	S	S	*	*			trans	-175.2	-173.7	-147.3	-151.7	-153.4	177	-173.9	0.1	108.2
356	P	41.2	Very low	30.5	Very low	99 Å²	99	108.1 Å²	108.1	64%	0.643	62%	0.615	S	S	*	*			cis	-106.9	-141.2	-43.9	43.2	-27.2	0	0	0	109.2
357	P	40.4	Very low	29.8	Very low	101 Å²	101	108.8 Å²	108.8	66%	0.656	62%	0.617	S	S	*	*			cis	-129.3	-166.1	-21.6	39.2	-19.3	0	0	0	115.1
358	S	28.2	Very low	30.8	Very low	69 Å²	69	107.8 Å²	107.8	48%	0.483	61%	0.614	S	S	.	*			trans	-83.1	-175.6	179.4	-51.1	0	0	0	0	114.2	K418	S358-K418 PolarHBondContact OG-NZ 2.98Å
359	L	28.3	Very low	30.9	Very low	41 Å²	41	109.1 Å²	109.1	22%	0.215	62%	0.618	C	S	.	*			cis	175.6	-178.9	48.6	-113.8	-162.4	0	0	0	114.6	G403 C404 K418 C436	L359-G403 WeakPolarHBondContact CB-O 3.44Å; L359-G403 WeakPolarHBondContact CD1-O 3.29Å; L359-G403 WeakPolarHBondContact CG-O 3.24Å; L359-C404 HydrophobicContact CB-CB 3.82Å; L359-C404 HydrophobicContact CD1-CB 4.1Å; L359-K418 HydrophobicContact CD1-CB 4.17Å; L359-K418 HydrophobicContact CD1-CD 3.92Å; L359-K418 HydrophobicContact CD1-CG 3.64Å; L359-K418 HydrophobicContact CD2-CB 4.19Å; L359-K418 HydrophobicContact CD2-CD 3.61Å; L359-K418 HydrophobicContact CD2-CG 4.06Å; L359-K418 HydrophobicContact CG-CD 4.24Å; L359-K418 HydrophobicContact CG-CG 4.43Å; L359-C436 VanDerWaalsContact C-SG 3.58Å; L359-C436 PolarHBondContact O-SG 3.04Å
360	L	26.7	Very low	31	Very low	22 Å²	22	110.7 Å²	110.7	12%	0.115	63%	0.628	C	S	.	*			trans	60.1	148	136.9	-64.5	-134.4	0	0	0	129.5	C404 K418 V419 C421 C436 C437	L360-C404 HydrophobicContact CB-CB 4.28Å; L360-C404 VanDerWaalsContact CD1-O 3.22Å; L360-C404 WeakPolarHBondContact CD1-O 3.08Å; L360-C404 HydrophobicContact CG-CB 4.19Å; L360-K418 VanDerWaalsContact CD2-C 3.47Å; L360-K418 HydrophobicContact CD2-CB 3.93Å; L360-V419 CarbonylContact C-O 3.53Å; L360-V419 WeakPolarHBondContact CA-O 3.25Å; L360-V419 WeakPolarHBondContact CB-O 3Å; L360-V419 HydrophobicContact CD1-CB 4Å; L360-V419 HydrophobicContact CD1-CG2 4.42Å; L360-V419 WeakPolarHBondContact CD2-O 3.4Å; L360-V419 WeakPolarHBondContact CG-O 3.27Å; L360-C421 VanDerWaalsContact C-CA 3.5Å; L360-C421 WeakPolarHBondContact O-CB 3.3Å; L360-C436 HydrophobicContact CB-CB 4.45Å; L360-C437 VanDerWaalsContact O-CB 3.24Å; L360-C437 WeakPolarHBondContact O-CB 3.43Å
361	H	25.3	Very low	32.2	Very low	68 Å²	68	110.3 Å²	110.3	32%	0.315	63%	0.633	S	S	.	*			trans	-174.1	-165.7	156.8	116.5	-52.2	0	0	0	111.2	V419 R420 C421 E422 C437	H361-V419 PolarHBondContact N-O 3.05Å; H361-V419 CarbonylContact O-C 3.59Å; H361-V419 VanDerWaalsContact O-C 3.29Å; H361-R420 CarbonylContact C-O 3.55Å; H361-R420 WeakPolarHBondContact CA-O 3.44Å; H361-R420 VanDerWaalsContact N-C 3.25Å; H361-R420 PolarHBondContact N-O 2.93Å; H361-R420 PolarHBondContact ND1-O 3.16Å; H361-R420 CarbonylContact O-C 3.5Å; H361-C421 HydrophobicContact CB-CB 4.32Å; H361-E422 PolarHBondContact CE1-O 3.28Å; H361-E422 PolarHBondContact ND1-N 3.22Å; H361-C437 HydrophobicContact CB-CB 3.28Å; H361-C437 WeakPolarHBondContact CB-SG 3Å; H361-C437 VanDerWaalsContact CG-SG 3.57Å
362	R	32.2	Very low	32.2	Very low	135 Å²	135	114.7 Å²	114.7	51%	0.509	64%	0.639	S	S	.	*			trans	-178.3	163.6	145.9	-123.5	179.6	129.5	-145.2	3	115.2	V419	R362-V419 HydrophobicContact CB-CG1 3.86Å; R362-V419 HydrophobicContact CG-CG1 3.78Å
363	E	32.7	Very low	32.2	Very low	118 Å²	118	114.8 Å²	114.8	55%	0.551	64%	0.64	S	S	*	*			trans	67.3	170.9	144.6	-75.3	172.5	133	0	0	117.1
364	V	34.7	Very low	33.1	Very low	114 Å²	114	113.2 Å²	113.2	69%	0.691	64%	0.638	S	S	*	*			cis	-152.2	158.1	6.2	88.3	0	0	0	0	107.5
365	M	33.1	Very low	33.1	Very low	148 Å²	148	114.8 Å²	114.8	73%	0.729	64%	0.638	S	S	*	*				172.1	165.1	63.6	-155.8	44.6	157.4	0	0	108.1	T367	M365-T367 HydrophobicContact CE-CG2 3.67Å; M365-T367 HydrophobicContact SD-CG2 4.31Å
366	G	31.3	Very low	33.4	Very low	57 Å²	57	107.8 Å²	107.8	59%	0.588	63%	0.63	S	S	*	*			cis	156.1	173.8	-14.2	0	0	0	0	0	114.6
367	T	31.5	Very low	33.6	Very low	115 Å²	115	108.1 Å²	108.1	71%	0.706	63%	0.633	S	S	*	*			trans	70.9	164	150.5	60.7	0	0	0	0	121.9	M365	M365-T367 HydrophobicContact CE-CG2 3.67Å; M365-T367 HydrophobicContact SD-CG2 4.31Å
368	P	48	Very low	33.1	Very low	110 Å²	110	114.4 Å²	114.4	71%	0.714	64%	0.643	S	S	*	*			cis	-143.2	173.1	-46.1	39.8	-24.4	0	0	0	116
369	S	27.3	Very low	33.5	Very low	114 Å²	114	119 Å²	119	80%	0.797	66%	0.662	S	S	*	*				169.7	98.5	125.9	43.7	0	0	0	0	118
370	S	29.6	Very low	33.6	Very low	116 Å²	116	121.6 Å²	121.6	81%	0.811	69%	0.689	S	S	*	*				38.6	164.8	109.1	-128.6	0	0	0	0	123.5
371	P	56.4	Low	34.3	Very low	110 Å²	110	125.7 Å²	125.7	71%	0.714	73%	0.726	S	S	*	*				-143.3	-173.5	-69.1	45.1	-28.4	0	0	0	115
372	R	28.3	Very low	35.4	Very low	247 Å²	247	125.7 Å²	125.7	93%	0.932	75%	0.745	S	S	*	*			trans	-157.4	146.9	145.1	-152.5	153.8	-70	-132.4	1.1	113.1
373	G	26.7	Very low	36.7	Very low	63 Å²	63	123.4 Å²	123.4	65%	0.649	75%	0.747	S	S	*	*			trans	-102.3	-149.3	177.5	0	0	0	0	0	113.5
374	P	44	Very low	38.2	Very low	119 Å²	119	120.9 Å²	120.9	77%	0.773	74%	0.743	S	S	*	*			cis	-147.5	-171.6	15.2	45.7	-26.3	0	0	0	118
375	K	28	Very low	40	Very low	208 Å²	208	118 Å²	118	90%	0.904	73%	0.726	S	S	*	*			trans	79.4	143.8	157.9	-71.9	-176.5	177.4	-178.8	0	120.9
376	A	26.7	Very low	42.2	Very low	89 Å²	89	111 Å²	111	74%	0.736	69%	0.692	S	S	*	*			trans	-126.2	-166.7	171	0	0	0	0	0	107.5
377	P	46.7	Very low	44.2	Very low	107 Å²	107	116.6 Å²	116.6	70%	0.695	70%	0.695	S	S	*	*			cis	-128.4	-163.9	-8.7	43.4	-27.6	0	0	0	113
378	W	28.4	Very low	46.2	Very low	232 Å²	232	113.3 Å²	113.3	88%	0.879	67%	0.672	S	S	*	*			trans	166.5	161.8	130	-95.1	80.4	0	0	0	109.1
379	L	37	Very low	47.1	Very low	166 Å²	166	115.2 Å²	115.2	87%	0.869	68%	0.675	S	S	*	*			trans	-97.3	144.3	-157.5	-57.3	95.5	0	0	0	116.3
380	A	31.8	Very low	49.1	Very low	95 Å²	95	113.1 Å²	113.1	79%	0.785	67%	0.671	S	S	*	*			trans	-159.7	137.7	151.4	0	0	0	0	0	112
381	A	40.2	Very low	51.1	Low	108 Å²	108	110 Å²	110	89%	0.893	65%	0.653	S	S	*	*			trans	56.6	136.3	170.3	0	0	0	0	0	119.2
382	G	49.5	Very low	51.8	Low	69 Å²	69	110.1 Å²	110.1	71%	0.711	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-98	152	176.2	0	0	0	0	0	113.3
383	P	59.2	Low	54	Low	86 Å²	86	100.6 Å²	100.6	56%	0.558	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-60.4	138.4	-179.6	-28.8	37.9	0	0	0	115.5	S395 D411	P383-S395 WeakPolarHBondContact CB-OG 3.33Å; P383-D411 VanDerWaalsContact CB-OD1 3.26Å; P383-D411 WeakPolarHBondContact CB-OD1 3.13Å; P383-D411 WeakPolarHBondContact CG-OD1 3.22Å
384	S	64.6	Low	56.2	Low	66 Å²	66	105.3 Å²	105.3	46%	0.462	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-82.2	145.3	167.2	51.2	0	0	0	0	112.1	G412	S384-G412 PolarHBondContact O-N 2.8Å
385	P	72.6	Confident	57.3	Low	54 Å²	54	101.7 Å²	101.7	35%	0.351	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-70.8	154.5	173	31.4	-35.7	0	0	0	111.7	M392 L393	P385-M392 HydrophobicContact CB-CE 4.27Å; P385-M392 HydrophobicContact CB-CG 3.96Å; P385-M392 HydrophobicContact CB-SD 4.18Å; P385-M392 HydrophobicContact CG-CE 3.82Å; P385-M392 HydrophobicContact CG-CG 4.1Å; P385-M392 HydrophobicContact CG-SD 3.66Å; P385-L393 CarbonylContact C-O 3.59Å; P385-L393 WeakPolarHBondContact CA-O 3.44Å; P385-L393 WeakPolarHBondContact CB-O 3.05Å
386	C	77.8	Confident	59.5	Low	0 Å²	0	94.6 Å²	94.6	0%	0	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	154.8	178.7	-41.2	0	0	0	0	111.4	M392 L393 C409 K413 V414	C386-M392 CarbonylContact O-C 3.45Å; C386-M392 WeakPolarHBondContact O-CA 3.43Å; C386-L393 PolarHBondContact N-O 2.98Å; C386-L393 PolarHBondContact O-N 2.8Å; C386-C409 HydrophobicContact CB-CB 3.84Å; C386-C409 WeakPolarHBondContact CB-SG 3.27Å; C386-C409 PolarHBondContact N-SG 2.84Å; C386-C409 VanDerWaalsContact N-SG 3.42Å; C386-C409 WeakPolarHBondContact SG-CA 3.38Å; C386-C409 WeakPolarHBondContact SG-CB 3.16Å; C386-C409 CovalentContact SG-SG 2.02Å; C386-C409 PolarHBondContact SG-SG 3.38Å; C386-K413 PolarHBondContact SG-N 2.7Å; C386-K413 PolarHBondContact SG-O 2.04Å; C386-K413 VanDerWaalsContact SG-O 3.34Å; C386-V414 HydrophobicContact CB-CG2 3.56Å
387	W	73.6	Confident	61.8	Low	174 Å²	174	92 Å²	92	66%	0.659	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.4	133.4	165.2	-78	82	0	0	0	110.4	G390 A391 M392	W387-G390 WeakPolarHBondContact CZ3-O 3.46Å; W387-A391 WeakPolarHBondContact CA-O 3.06Å; W387-M392 HydrophobicContact CD2-CB 3.93Å; W387-M392 HydrophobicContact CD2-CG 4.17Å; W387-M392 HydrophobicContact CE3-CB 4.23Å; W387-M392 HydrophobicContact CG-CG 4.36Å; W387-M392 HydrophobicContact CH2-CB 4.08Å; W387-M392 HydrophobicContact CZ2-CB 3.75Å; W387-M392 HydrophobicContact CZ2-CG 4.11Å; W387-M392 HydrophobicContact CZ2-SD 3.94Å; W387-M392 HydrophobicContact CZ3-CB 4.3Å; W387-M392 PolarHBondContact NE1-SD 3.07Å; W387-M392 VanDerWaalsContact NE1-SD 3.44Å
388	H	73.5	Confident	63.2	Low	47 Å²	47	93.7 Å²	93.7	22%	0.218	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	133.2	175.9	-173.4	62	0	0	0	110.9	G390 A391 L393 W399 E401 V414	H388-G390 PolarHBondContact O-N 2.05Å; H388-A391 PolarHBondContact N-O 3.26Å; H388-A391 PolarHBondContact O-N 2.76Å; H388-L393 HydrophobicContact CB-CD1 3.88Å; H388-W399 AromaticContact CD2-CZ2 3.7Å; H388-E401 IonicContact CD2-OE1 2.81Å; H388-E401 IonicContact CE1-OE1 2.71Å; H388-E401 IonicContact NE2-OE1 3.19Å; H388-E401 PolarHBondContact NE2-OE1 3.34Å; H388-V414 HydrophobicContact CB-CG2 3.96Å
389	L	68.2	Low	65.6	Low	150 Å²	150	85.5 Å²	85.5	79%	0.785	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	33	179.7	-62.2	175.3	0	0	0	115.5
390	G	68.9	Low	67.2	Low	69 Å²	69	81.5 Å²	81.5	71%	0.711	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	0.8	177.9	0	0	0	0	0	115.8	W387 H388	W387-G390 WeakPolarHBondContact CZ3-O 3.46Å; H388-G390 PolarHBondContact O-N 2.05Å
391	A	71.5	Confident	69.1	Low	51 Å²	51	79.4 Å²	79.4	42%	0.421	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148.7	172.6	0	0	0	0	0	111.6	W387 H388	W387-A391 WeakPolarHBondContact CA-O 3.06Å; H388-A391 PolarHBondContact N-O 3.26Å; H388-A391 PolarHBondContact O-N 2.76Å
392	M	70.6	Confident	70.1	Confident	112 Å²	112	80.6 Å²	80.6	55%	0.552	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.2	169	-161.2	172.9	78.3	0	0	109.4	P385 C386 W387	P385-M392 HydrophobicContact CB-CE 4.27Å; P385-M392 HydrophobicContact CB-CG 3.96Å; P385-M392 HydrophobicContact CB-SD 4.18Å; P385-M392 HydrophobicContact CG-CE 3.82Å; P385-M392 HydrophobicContact CG-CG 4.1Å; P385-M392 HydrophobicContact CG-SD 3.66Å; C386-M392 CarbonylContact O-C 3.45Å; C386-M392 WeakPolarHBondContact O-CA 3.43Å; W387-M392 HydrophobicContact CD2-CB 3.93Å; W387-M392 HydrophobicContact CD2-CG 4.17Å; W387-M392 HydrophobicContact CE3-CB 4.23Å; W387-M392 HydrophobicContact CG-CG 4.36Å; W387-M392 HydrophobicContact CH2-CB 4.08Å; W387-M392 HydrophobicContact CZ2-CB 3.75Å; W387-M392 HydrophobicContact CZ2-CG 4.11Å; W387-M392 HydrophobicContact CZ2-SD 3.94Å; W387-M392 HydrophobicContact CZ3-CB 4.3Å; W387-M392 PolarHBondContact NE1-SD 3.07Å; W387-M392 VanDerWaalsContact NE1-SD 3.44Å
393	L	74.6	Confident	70.6	Confident	47 Å²	47	78.2 Å²	78.2	25%	0.246	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.6	-174.6	-79.3	141.1	0	0	0	110	P385 C386 H388 W399 C409	P385-L393 CarbonylContact C-O 3.59Å; P385-L393 WeakPolarHBondContact CA-O 3.44Å; P385-L393 WeakPolarHBondContact CB-O 3.05Å; C386-L393 PolarHBondContact N-O 2.98Å; C386-L393 PolarHBondContact O-N 2.8Å; H388-L393 HydrophobicContact CB-CD1 3.88Å; L393-W399 HydrophobicContact CD1-CH2 3.8Å; L393-W399 HydrophobicContact CD1-CZ2 4.08Å; L393-W399 HydrophobicContact CD1-CZ3 4.23Å; L393-W399 HydrophobicContact CD2-CE3 4.26Å; L393-W399 HydrophobicContact CD2-CH2 4.45Å; L393-W399 HydrophobicContact CD2-CZ3 4.03Å; L393-C409 PolarHBondContact O-SG 2.57Å; L393-C409 VanDerWaalsContact O-SG 3.4Å
394	E	73.2	Confident	71.2	Confident	162 Å²	162	75.4 Å²	75.4	76%	0.757	43%	0.432	S	S	*	.			trans	-69.8	144.7	-177	-61.3	-170.7	153.6	0	0	112.2	G396 S397 C409	E394-G396 PolarHBondContact O-N 3.19Å; E394-S397 WeakPolarHBondContact O-CB 3.45Å; E394-S397 PolarHBondContact O-N 3.01Å; E394-S397 PolarHBondContact O-OG 2.97Å; E394-C409 PolarHBondContact O-SG 2.91Å; E394-C409 VanDerWaalsContact O-SG 3.4Å
395	S	67.7	Low	71.7	Confident	43 Å²	43	73.4 Å²	73.4	30%	0.301	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	116.6	-179.5	-168.4	0	0	0	0	110.8	P383 C409 D411	P383-S395 WeakPolarHBondContact CB-OG 3.33Å; S395-C409 VanDerWaalsContact CA-SG 3.59Å; S395-D411 PolarHBondContact OG-N 2.86Å
396	G	74.3	Confident	71.8	Confident	59 Å²	59	74.6 Å²	74.6	61%	0.608	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.9	-16.9	-174	0	0	0	0	0	114.6	E394 C409	E394-G396 PolarHBondContact O-N 3.19Å; G396-C409 WeakPolarHBondContact CA-O 3.45Å; G396-C409 PolarHBondContact N-O 2.83Å
397	S	74.1	Confident	71.9	Confident	35 Å²	35	74.6 Å²	74.6	25%	0.245	42%	0.419	C	S	.	.			trans	-62.7	143.3	178.7	54.8	0	0	0	0	112.8	E394 W408 C409	E394-S397 WeakPolarHBondContact O-CB 3.45Å; E394-S397 PolarHBondContact O-N 3.01Å; E394-S397 PolarHBondContact O-OG 2.97Å; S397-W408 CarbonylContact O-C 3.51Å; S397-W408 WeakPolarHBondContact O-CA 3.28Å; S397-W408 VanDerWaalsContact O-CB 3.32Å; S397-W408 WeakPolarHBondContact O-CB 3.36Å; S397-C409 PolarHBondContact O-N 3.02Å
398	R	76.3	Confident	72.3	Confident	142 Å²	142	68.6 Å²	68.6	54%	0.536	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132.6	-176	-178	174.9	-69.3	-117.9	-1.6	110.8	Q406 C407 W408	R398-Q406 HydrophobicContact CG-CG 4.38Å; R398-C407 CarbonylContact C-O 3.26Å; R398-C407 WeakPolarHBondContact CA-O 3.07Å; R398-C407 WeakPolarHBondContact CG-O 3.05Å; R398-W408 HydrophobicContact CB-CB 3.88Å; R398-W408 HydrophobicContact CG-CB 4.01Å; R398-W408 VanDerWaalsContact CZ-CD2 3.42Å; R398-W408 VanDerWaalsContact NH1-CZ3 3.31Å
399	W	78.9	Confident	72.7	Confident	60 Å²	60	66.4 Å²	66.4	23%	0.227	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	173.9	-174.7	63.5	95.6	0	0	0	111.4	H388 L393 Q406 C407 C409 V414	H388-W399 AromaticContact CD2-CZ2 3.7Å; L393-W399 HydrophobicContact CD1-CH2 3.8Å; L393-W399 HydrophobicContact CD1-CZ2 4.08Å; L393-W399 HydrophobicContact CD1-CZ3 4.23Å; L393-W399 HydrophobicContact CD2-CE3 4.26Å; L393-W399 HydrophobicContact CD2-CH2 4.45Å; L393-W399 HydrophobicContact CD2-CZ3 4.03Å; W399-Q406 CarbonylContact O-C 3.51Å; W399-Q406 WeakPolarHBondContact O-CG 3.37Å; W399-C407 HydrophobicContact CD2-CB 4.03Å; W399-C407 VanDerWaalsContact CE2-CB 3.49Å; W399-C407 HydrophobicContact CG-CB 4.38Å; W399-C407 HydrophobicContact CH2-CB 4.41Å; W399-C407 HydrophobicContact CZ2-CB 3.72Å; W399-C407 PolarHBondContact N-O 2.98Å; W399-C407 PolarHBondContact O-N 3.29Å; W399-C409 HydrophobicContact CH2-CB 4.29Å; W399-C409 HydrophobicContact CZ3-CB 4.19Å; W399-V414 HydrophobicContact CH2-CG1 3.74Å; W399-V414 HydrophobicContact CH2-CG2 3.96Å; W399-V414 HydrophobicContact CZ2-CG1 3.73Å; W399-V414 HydrophobicContact CZ2-CG2 4.5Å
400	T	71	Confident	73.2	Confident	82 Å²	82	65.5 Å²	65.5	50%	0.503	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.1	177.3	-52.6	0	0	0	0	110.2	C404 S405	T400-C404 HydrophobicContact CG2-CB 4.42Å; T400-S405 WeakPolarHBondContact CA-O 3.3Å
401	E	70.2	Confident	73.2	Confident	51 Å²	51	66.2 Å²	66.2	24%	0.238	36%	0.363	C	S	.	.			trans	-86.3	155.7	-180	-71.1	-165.9	143.3	0	0	112.8	H388 G403 C404 S405	H388-E401 IonicContact CD2-OE1 2.81Å; H388-E401 IonicContact CE1-OE1 2.71Å; H388-E401 IonicContact NE2-OE1 3.19Å; H388-E401 PolarHBondContact NE2-OE1 3.34Å; E401-G403 PolarHBondContact O-N 3.48Å; E401-C404 VanDerWaalsContact O-CA 3.23Å; E401-C404 WeakPolarHBondContact O-CA 3.48Å; E401-C404 PolarHBondContact O-N 2.04Å; E401-S405 PolarHBondContact N-O 2.97Å; E401-S405 PolarHBondContact O-N 3.49Å
402	P	62.5	Low	73.2	Confident	133 Å²	133	65.3 Å²	65.3	86%	0.864	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	133.7	175.5	23.3	-34.3	0	0	0	111.9
403	G	60	Low	73.4	Confident	20 Å²	20	66.8 Å²	66.8	21%	0.206	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	22.2	-161.9	0	0	0	0	0	113.4	L359 E401 S405	L359-G403 WeakPolarHBondContact CB-O 3.44Å; L359-G403 WeakPolarHBondContact CD1-O 3.29Å; L359-G403 WeakPolarHBondContact CG-O 3.24Å; E401-G403 PolarHBondContact O-N 3.48Å; G403-S405 PolarHBondContact O-N 3.32Å
404	C	72.2	Confident	73.6	Confident	27 Å²	27	66 Å²	66	18%	0.182	36%	0.359	C	S	.	.	S	Bend	trans	58.4	21.4	167.8	-43.9	0	0	0	0	119.7	L359 L360 T400 E401 Q406 C436	L359-C404 HydrophobicContact CB-CB 3.82Å; L359-C404 HydrophobicContact CD1-CB 4.1Å; L360-C404 HydrophobicContact CB-CB 4.28Å; L360-C404 VanDerWaalsContact CD1-O 3.22Å; L360-C404 WeakPolarHBondContact CD1-O 3.08Å; L360-C404 HydrophobicContact CG-CB 4.19Å; T400-C404 HydrophobicContact CG2-CB 4.42Å; E401-C404 VanDerWaalsContact O-CA 3.23Å; E401-C404 WeakPolarHBondContact O-CA 3.48Å; E401-C404 PolarHBondContact O-N 2.04Å; C404-Q406 PolarHBondContact O-N 3.13Å; C404-C436 HydrophobicContact CB-CB 3.91Å; C404-C436 WeakPolarHBondContact CB-SG 3.02Å; C404-C436 WeakPolarHBondContact SG-CB 3.41Å; C404-C436 CovalentContact SG-SG 2.03Å; C404-C436 PolarHBondContact SG-SG 2.75Å
405	S	73.5	Confident	73.8	Confident	24 Å²	24	61.1 Å²	61.1	17%	0.168	34%	0.34	C	S	.	.			trans	-74	124.2	175.3	-55.1	0	0	0	0	109.6	T400 E401 G403 E417	T400-S405 WeakPolarHBondContact CA-O 3.3Å; E401-S405 PolarHBondContact N-O 2.97Å; E401-S405 PolarHBondContact O-N 3.49Å; G403-S405 PolarHBondContact O-N 3.32Å; S405-E417 WeakPolarHBondContact CA-O 3.4Å
406	Q	75.3	Confident	74.4	Confident	79 Å²	79	61.8 Å²	61.8	37%	0.369	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.2	-179.2	-165.7	175	63.5	0	0	110.4	R398 W399 C404 C416 E417	R398-Q406 HydrophobicContact CG-CG 4.38Å; W399-Q406 CarbonylContact O-C 3.51Å; W399-Q406 WeakPolarHBondContact O-CG 3.37Å; C404-Q406 PolarHBondContact O-N 3.13Å; Q406-C416 CarbonylContact O-C 3.6Å; Q406-C416 WeakPolarHBondContact O-CA 3.39Å; Q406-E417 PolarHBondContact N-O 2.91Å; Q406-E417 PolarHBondContact O-N 2.97Å
407	C	79.9	Confident	74.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	150.7	-172.6	-65.3	0	0	0	0	112.2	R398 W399 V414 T415 C416	R398-C407 CarbonylContact C-O 3.26Å; R398-C407 WeakPolarHBondContact CA-O 3.07Å; R398-C407 WeakPolarHBondContact CG-O 3.05Å; W399-C407 HydrophobicContact CD2-CB 4.03Å; W399-C407 VanDerWaalsContact CE2-CB 3.49Å; W399-C407 HydrophobicContact CG-CB 4.38Å; W399-C407 HydrophobicContact CH2-CB 4.41Å; W399-C407 HydrophobicContact CZ2-CB 3.72Å; W399-C407 PolarHBondContact N-O 2.98Å; W399-C407 PolarHBondContact O-N 3.29Å; C407-V414 HydrophobicContact CB-CG1 4.38Å; C407-T415 CarbonylContact C-O 3.58Å; C407-T415 VanDerWaalsContact CA-O 3.28Å; C407-T415 WeakPolarHBondContact CA-O 3.07Å; C407-C416 HydrophobicContact CB-CB 4.04Å; C407-C416 WeakPolarHBondContact CB-SG 3.05Å; C407-C416 WeakPolarHBondContact SG-CB 3.39Å; C407-C416 CovalentContact SG-SG 2.03Å; C407-C416 PolarHBondContact SG-SG 3.34Å
408	W	82.6	Confident	74.2	Confident	47 Å²	47	68.5 Å²	68.5	18%	0.178	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	147.5	165.6	58.5	92	0	0	0	113	S397 R398 V414 T415 E417	S397-W408 CarbonylContact O-C 3.51Å; S397-W408 WeakPolarHBondContact O-CA 3.28Å; S397-W408 VanDerWaalsContact O-CB 3.32Å; S397-W408 WeakPolarHBondContact O-CB 3.36Å; R398-W408 HydrophobicContact CB-CB 3.88Å; R398-W408 HydrophobicContact CG-CB 4.01Å; R398-W408 VanDerWaalsContact CZ-CD2 3.42Å; R398-W408 VanDerWaalsContact NH1-CZ3 3.31Å; W408-V414 WeakPolarHBondContact O-CA 3.31Å; W408-T415 PolarHBondContact N-O 3.39Å; W408-T415 PolarHBondContact NE1-OG1 3.13Å; W408-T415 PolarHBondContact O-N 3.06Å; W408-E417 HydrophobicContact CH2-CB 4.46Å; W408-E417 HydrophobicContact CH2-CG 3.95Å; W408-E417 HydrophobicContact CZ3-CB 4.48Å; W408-E417 HydrophobicContact CZ3-CG 4.39Å
409	C	81.1	Confident	74.2	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.4	171	167.5	0	0	0	0	110.4	C386 L393 E394 S395 G396 S397 W399 V414	C386-C409 HydrophobicContact CB-CB 3.84Å; C386-C409 WeakPolarHBondContact CB-SG 3.27Å; C386-C409 PolarHBondContact N-SG 2.84Å; C386-C409 VanDerWaalsContact N-SG 3.42Å; C386-C409 WeakPolarHBondContact SG-CA 3.38Å; C386-C409 WeakPolarHBondContact SG-CB 3.16Å; C386-C409 CovalentContact SG-SG 2.02Å; C386-C409 PolarHBondContact SG-SG 3.38Å; L393-C409 PolarHBondContact O-SG 2.57Å; L393-C409 VanDerWaalsContact O-SG 3.4Å; E394-C409 PolarHBondContact O-SG 2.91Å; E394-C409 VanDerWaalsContact O-SG 3.4Å; S395-C409 VanDerWaalsContact CA-SG 3.59Å; G396-C409 WeakPolarHBondContact CA-O 3.45Å; G396-C409 PolarHBondContact N-O 2.83Å; S397-C409 PolarHBondContact O-N 3.02Å; W399-C409 HydrophobicContact CH2-CB 4.29Å; W399-C409 HydrophobicContact CZ3-CB 4.19Å; C409-V414 HydrophobicContact CB-CG2 4.14Å
410	K	78.8	Confident	73.6	Confident	131 Å²	131	69.3 Å²	69.3	57%	0.57	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.5	129	168.4	177.6	170.8	177.1	179.2	0	110.6	G412 K413	K410-G412 PolarHBondContact O-N 2.84Å; K410-K413 PolarHBondContact N-O 2.88Å; K410-K413 PolarHBondContact O-N 3.48Å
411	D	69.3	Low	73.6	Confident	85 Å²	85	68.1 Å²	68.1	46%	0.455	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	52	171.7	-55.4	-42.8	0	0	0	112.8	P383 S395 K413	P383-D411 VanDerWaalsContact CB-OD1 3.26Å; P383-D411 WeakPolarHBondContact CB-OD1 3.13Å; P383-D411 WeakPolarHBondContact CG-OD1 3.22Å; S395-D411 PolarHBondContact OG-N 2.86Å; D411-K413 VanDerWaalsContact C-N 3.25Å; D411-K413 PolarHBondContact O-N 2.72Å
412	G	71	Confident	73.1	Confident	31 Å²	31	70.4 Å²	70.4	32%	0.32	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-11	-178.3	0	0	0	0	0	116.1	S384 K410	S384-G412 PolarHBondContact O-N 2.8Å; K410-G412 PolarHBondContact O-N 2.84Å
413	K	74.5	Confident	73.1	Confident	143 Å²	143	66.3 Å²	66.3	62%	0.622	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	135.1	-176.8	-171.9	175	-179.2	-179.6	0	112.8	C386 K410 D411	C386-K413 PolarHBondContact SG-N 2.7Å; C386-K413 PolarHBondContact SG-O 2.04Å; C386-K413 VanDerWaalsContact SG-O 3.34Å; K410-K413 PolarHBondContact N-O 2.88Å; K410-K413 PolarHBondContact O-N 3.48Å; D411-K413 VanDerWaalsContact C-N 3.25Å; D411-K413 PolarHBondContact O-N 2.72Å
414	V	80.3	Confident	73.1	Confident	31 Å²	31	70.6 Å²	70.6	19%	0.188	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.2	168.8	-178.5	0	0	0	0	110.7	C386 H388 W399 C407 W408 C409	C386-V414 HydrophobicContact CB-CG2 3.56Å; H388-V414 HydrophobicContact CB-CG2 3.96Å; W399-V414 HydrophobicContact CH2-CG1 3.74Å; W399-V414 HydrophobicContact CH2-CG2 3.96Å; W399-V414 HydrophobicContact CZ2-CG1 3.73Å; W399-V414 HydrophobicContact CZ2-CG2 4.5Å; C407-V414 HydrophobicContact CB-CG1 4.38Å; W408-V414 WeakPolarHBondContact O-CA 3.31Å; C409-V414 HydrophobicContact CB-CG2 4.14Å
415	T	76.9	Confident	73.1	Confident	59 Å²	59	70.3 Å²	70.3	36%	0.362	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.8	175.3	23.9	0	0	0	0	109.7	C407 W408	C407-T415 CarbonylContact C-O 3.58Å; C407-T415 VanDerWaalsContact CA-O 3.28Å; C407-T415 WeakPolarHBondContact CA-O 3.07Å; W408-T415 PolarHBondContact N-O 3.39Å; W408-T415 PolarHBondContact NE1-OG1 3.13Å; W408-T415 PolarHBondContact O-N 3.06Å
416	C	79.3	Confident	73	Confident	58 Å²	58	72.4 Å²	72.4	39%	0.392	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.6	-176.6	-56.5	0	0	0	0	111.5	Q406 C407	Q406-C416 CarbonylContact O-C 3.6Å; Q406-C416 WeakPolarHBondContact O-CA 3.39Å; C407-C416 HydrophobicContact CB-CB 4.04Å; C407-C416 WeakPolarHBondContact CB-SG 3.05Å; C407-C416 WeakPolarHBondContact SG-CB 3.39Å; C407-C416 CovalentContact SG-SG 2.03Å; C407-C416 PolarHBondContact SG-SG 3.34Å
417	E	74.1	Confident	73	Confident	107 Å²	107	71.5 Å²	71.5	50%	0.5	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.9	-176.5	-71.3	-171.2	172.4	0	0	114.3	S405 Q406 W408 V419	S405-E417 WeakPolarHBondContact CA-O 3.4Å; Q406-E417 PolarHBondContact N-O 2.91Å; Q406-E417 PolarHBondContact O-N 2.97Å; W408-E417 HydrophobicContact CH2-CB 4.46Å; W408-E417 HydrophobicContact CH2-CG 3.95Å; W408-E417 HydrophobicContact CZ3-CB 4.48Å; W408-E417 HydrophobicContact CZ3-CG 4.39Å; E417-V419 HydrophobicContact CB-CG2 4.49Å
418	K	70.9	Confident	72.8	Confident	127 Å²	127	73.5 Å²	73.5	55%	0.552	40%	0.399	S	S	*	.			trans	-118.9	105.8	176.8	-69.1	-166	149.9	-158.9	0	111.1	S358 L359 L360	S358-K418 PolarHBondContact OG-NZ 2.98Å; L359-K418 HydrophobicContact CD1-CB 4.17Å; L359-K418 HydrophobicContact CD1-CD 3.92Å; L359-K418 HydrophobicContact CD1-CG 3.64Å; L359-K418 HydrophobicContact CD2-CB 4.19Å; L359-K418 HydrophobicContact CD2-CD 3.61Å; L359-K418 HydrophobicContact CD2-CG 4.06Å; L359-K418 HydrophobicContact CG-CD 4.24Å; L359-K418 HydrophobicContact CG-CG 4.43Å; L360-K418 VanDerWaalsContact CD2-C 3.47Å; L360-K418 HydrophobicContact CD2-CB 3.93Å
419	V	75.1	Confident	72.5	Confident	43 Å²	43	73 Å²	73	26%	0.261	40%	0.4	S	S	.	.			trans	-107.3	116.9	-170.4	-169	0	0	0	0	113.3	L360 H361 R362 E417	L360-V419 CarbonylContact C-O 3.53Å; L360-V419 WeakPolarHBondContact CA-O 3.25Å; L360-V419 WeakPolarHBondContact CB-O 3Å; L360-V419 HydrophobicContact CD1-CB 4Å; L360-V419 HydrophobicContact CD1-CG2 4.42Å; L360-V419 WeakPolarHBondContact CD2-O 3.4Å; L360-V419 WeakPolarHBondContact CG-O 3.27Å; H361-V419 PolarHBondContact N-O 3.05Å; H361-V419 CarbonylContact O-C 3.59Å; H361-V419 VanDerWaalsContact O-C 3.29Å; R362-V419 HydrophobicContact CB-CG1 3.86Å; R362-V419 HydrophobicContact CG-CG1 3.78Å; E417-V419 HydrophobicContact CB-CG2 4.49Å
420	R	68.1	Low	71.9	Confident	177 Å²	177	76.7 Å²	76.7	67%	0.668	42%	0.424	S	S	*	.			trans	-40.5	135.3	-163.1	-62.5	-176.9	-175.3	166.1	-2.5	118.1	H361 E422	H361-R420 CarbonylContact C-O 3.55Å; H361-R420 WeakPolarHBondContact CA-O 3.44Å; H361-R420 VanDerWaalsContact N-C 3.25Å; H361-R420 PolarHBondContact N-O 2.93Å; H361-R420 PolarHBondContact ND1-O 3.16Å; H361-R420 CarbonylContact O-C 3.5Å; R420-E422 HydrophobicContact CB-CG 4.34Å; R420-E422 WeakPolarHBondContact CD-OE1 3.45Å; R420-E422 IonicContact CZ-OE1 3.5Å; R420-E422 IonicContact NE-OE1 3.48Å; R420-E422 IonicContact NH1-OE1 2.7Å; R420-E422 PolarHBondContact NH1-OE1 3.08Å
421	C	69.4	Low	71.4	Confident	57 Å²	57	73.1 Å²	73.1	39%	0.385	42%	0.415	S	S	.	.			trans	-79.4	127.4	159	-174.7	0	0	0	0	109.8	L360 H361 C437 P438	L360-C421 VanDerWaalsContact C-CA 3.5Å; L360-C421 WeakPolarHBondContact O-CB 3.3Å; H361-C421 HydrophobicContact CB-CB 4.32Å; C421-C437 HydrophobicContact CB-CB 4.29Å; C421-C437 WeakPolarHBondContact CB-SG 3Å; C421-C437 WeakPolarHBondContact SG-CB 3.35Å; C421-C437 CovalentContact SG-SG 2.07Å; C421-C437 PolarHBondContact SG-SG 3.44Å; C421-P438 VanDerWaalsContact SG-CD 3.56Å
422	E	61.2	Low	70.9	Confident	98 Å²	98	78 Å²	78	46%	0.458	43%	0.432	S	S	.	.			trans	-132.2	93	177.8	-71	170.4	154.7	0	0	108.3	H361 R420	H361-E422 PolarHBondContact CE1-O 3.28Å; H361-E422 PolarHBondContact ND1-N 3.22Å; R420-E422 HydrophobicContact CB-CG 4.34Å; R420-E422 WeakPolarHBondContact CD-OE1 3.45Å; R420-E422 IonicContact CZ-OE1 3.5Å; R420-E422 IonicContact NE-OE1 3.48Å; R420-E422 IonicContact NH1-OE1 2.7Å; R420-E422 PolarHBondContact NH1-OE1 3.08Å
423	A	61.5	Low	70.3	Confident	48 Å²	48	84.3 Å²	84.3	40%	0.397	46%	0.459	S	S	.	.			trans	-130.2	131.5	162.7	0	0	0	0	0	107	P438	A423-P438 HydrophobicContact CB-CG 4.46Å
424	A	61.1	Low	69.6	Low	110 Å²	110	81.1 Å²	81.1	91%	0.909	47%	0.466	S	S	*	.			trans	-126.1	54.8	-168.2	0	0	0	0	0	112.2
425	C	72.2	Confident	68.7	Low	21 Å²	21	81.8 Å²	81.8	14%	0.142	48%	0.479	C	S	.	.			trans	-119.6	161.9	164.2	65.3	0	0	0	0	109.8	P428 C440	C425-P428 VanDerWaalsContact SG-CB 3.59Å; C425-C440 HydrophobicContact CB-CB 3.7Å; C425-C440 WeakPolarHBondContact CB-SG 3.49Å; C425-C440 WeakPolarHBondContact SG-CA 3.4Å; C425-C440 WeakPolarHBondContact SG-CB 3.49Å; C425-C440 CovalentContact SG-SG 2.04Å; C425-C440 PolarHBondContact SG-SG 3.13Å
426	S	71.3	Confident	68.3	Low	68 Å²	68	81.3 Å²	81.3	48%	0.476	48%	0.478	S	S	.	.	S	Bend	trans	-80.9	-31.5	-174.5	56.6	0	0	0	0	114.1	P428 N472	S426-P428 WeakPolarHBondContact O-CD 3.2Å; S426-N472 WeakPolarHBondContact CB-OD1 3.36Å; S426-N472 PolarHBondContact N-OD1 3.07Å; S426-N472 WeakPolarHBondContact OG-CA 3.2Å; S426-N472 PolarHBondContact OG-OD1 3.25Å
427	H	74.6	Confident	67.9	Low	60 Å²	60	79.6 Å²	79.6	28%	0.278	47%	0.467	S	S	.	.	S	Bend	trans	-126.6	53.4	-174.8	-67.7	83.3	0	0	0	112.6	C443 F444 H445 G471	H427-C443 HydrophobicContact CB-CB 4.44Å; H427-F444 PolarHBondContact CD2-O 3.12Å; H427-F444 PolarHBondContact O-N 3.19Å; H427-H445 AromaticContact CD2-CD2 3.94Å; H427-H445 AromaticContact NE2-CD2 3.7Å; H427-G471 CarbonylContact C-O 3.5Å; H427-G471 WeakPolarHBondContact CA-O 3.4Å; H427-G471 PolarHBondContact N-O 2.94Å
428	P	76.4	Confident	67.9	Low	42 Å²	42	76.7 Å²	76.7	27%	0.273	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-63.5	147.5	-177.1	27.3	-35.1	0	0	0	112.7	C425 S426 P430 P438 S439	C425-P428 VanDerWaalsContact SG-CB 3.59Å; S426-P428 WeakPolarHBondContact O-CD 3.2Å; P428-P430 WeakPolarHBondContact O-CD 3.36Å; P428-P438 HydrophobicContact CB-CB 4.12Å; P428-P438 HydrophobicContact CB-CG 4.11Å; P428-P438 HydrophobicContact CG-CG 4.49Å; P428-S439 CarbonylContact C-O 3.59Å; P428-S439 WeakPolarHBondContact CA-O 3.46Å; P428-S439 WeakPolarHBondContact CB-O 3.34Å
429	I	75.9	Confident	68.2	Low	36 Å²	36	72.9 Å²	72.9	19%	0.185	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-81.8	124.2	175	-64.3	179.1	0	0	0	109.9	S431 P438 S439 D442 F444 V449	I429-S431 PolarHBondContact O-N 2.81Å; I429-P438 WeakPolarHBondContact O-CB 3.45Å; I429-S439 PolarHBondContact N-O 2.87Å; I429-S439 PolarHBondContact O-N 3.42Å; I429-S439 VanDerWaalsContact O-N 3.1Å; I429-D442 HydrophobicContact CD1-CB 3.67Å; I429-F444 HydrophobicContact CG1-CB 4.26Å; I429-V449 HydrophobicContact CD1-CG1 3.6Å; I429-V449 HydrophobicContact CD1-CG2 4.09Å; I429-V449 HydrophobicContact CG1-CG2 4.44Å
430	P	68.9	Low	68.3	Low	78 Å²	78	72.7 Å²	72.7	51%	0.506	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-63.6	128	173.6	-21.4	33.5	0	0	0	112.2	P428 K432	P428-P430 WeakPolarHBondContact O-CD 3.36Å; P430-K432 PolarHBondContact O-N 2.87Å
431	S	66.8	Low	68.7	Low	57 Å²	57	68.3 Å²	68.3	40%	0.399	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-62.9	118.3	174.7	-70	0	0	0	0	111	I429 G435 C437	I429-S431 PolarHBondContact O-N 2.81Å; S431-G435 WeakPolarHBondContact CB-O 3.31Å; S431-C437 PolarHBondContact OG-O 2.61Å
432	K	59.7	Low	69.3	Low	186 Å²	186	67.8 Å²	67.8	81%	0.809	43%	0.433	S	S	*	.	S	Bend	trans	-84.5	-28.8	-172.3	-69	-170.3	175.2	-179.9	0	114.4	P430 G434	P430-K432 PolarHBondContact O-N 2.87Å; K432-G434 PolarHBondContact O-N 3.12Å
433	D	58	Low	70.4	Confident	165 Å²	165	63.1 Å²	63.1	88%	0.882	41%	0.411	S	S	*	.	S	Bend	trans	-98.1	44.7	-171.5	-55.8	-65.5	0	0	0	113.3	G435	D433-G435 PolarHBondContact O-N 2.81Å
434	G	59.3	Low	71.3	Confident	75 Å²	75	64.8 Å²	64.8	77%	0.773	41%	0.409	S	S	*	.	S	Bend	trans	71.5	-1.1	172.6	0	0	0	0	0	116.8	K432	K432-G434 PolarHBondContact O-N 3.12Å
435	G	62.9	Low	72	Confident	45 Å²	45	61.7 Å²	61.7	46%	0.464	38%	0.376	S	S	.	.			trans	-67.5	144.6	170	0	0	0	0	0	112.1	S431 D433	S431-G435 WeakPolarHBondContact CB-O 3.31Å; D433-G435 PolarHBondContact O-N 2.81Å
436	C	68.4	Low	71.8	Confident	49 Å²	49	65.8 Å²	65.8	33%	0.331	41%	0.405	S	S	.	.	S	Bend	trans	-87.5	-26.7	-162.1	-149.9	0	0	0	0	116.4	L359 L360 C404	L359-C436 VanDerWaalsContact C-SG 3.58Å; L359-C436 PolarHBondContact O-SG 3.04Å; L360-C436 HydrophobicContact CB-CB 4.45Å; C404-C436 HydrophobicContact CB-CB 3.91Å; C404-C436 WeakPolarHBondContact CB-SG 3.02Å; C404-C436 WeakPolarHBondContact SG-CB 3.41Å; C404-C436 CovalentContact SG-SG 2.03Å; C404-C436 PolarHBondContact SG-SG 2.75Å
437	C	70.9	Confident	71.9	Confident	23 Å²	23	65.3 Å²	65.3	16%	0.155	41%	0.411	C	S	.	.	S	Bend	trans	-110.9	149.2	179.1	-152.4	0	0	0	0	110.6	L360 H361 C421 S431	L360-C437 VanDerWaalsContact O-CB 3.24Å; L360-C437 WeakPolarHBondContact O-CB 3.43Å; H361-C437 HydrophobicContact CB-CB 3.28Å; H361-C437 WeakPolarHBondContact CB-SG 3Å; H361-C437 VanDerWaalsContact CG-SG 3.57Å; C421-C437 HydrophobicContact CB-CB 4.29Å; C421-C437 WeakPolarHBondContact CB-SG 3Å; C421-C437 WeakPolarHBondContact SG-CB 3.35Å; C421-C437 CovalentContact SG-SG 2.07Å; C421-C437 PolarHBondContact SG-SG 3.44Å; S431-C437 PolarHBondContact OG-O 2.61Å
438	P	74.1	Confident	72	Confident	46 Å²	46	65.8 Å²	65.8	30%	0.299	42%	0.418	S	S	.	.			trans	-89.5	171.7	-175.3	37.4	-36	0	0	0	113.5	C421 A423 P428 I429	C421-P438 VanDerWaalsContact SG-CD 3.56Å; A423-P438 HydrophobicContact CB-CG 4.46Å; P428-P438 HydrophobicContact CB-CB 4.12Å; P428-P438 HydrophobicContact CB-CG 4.11Å; P428-P438 HydrophobicContact CG-CG 4.49Å; I429-P438 WeakPolarHBondContact O-CB 3.45Å
439	S	77.1	Confident	72.2	Confident	47 Å²	47	67.4 Å²	67.4	33%	0.329	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-102.8	153.4	179.5	-172.1	0	0	0	0	113	P428 I429 T441	P428-S439 CarbonylContact C-O 3.59Å; P428-S439 WeakPolarHBondContact CA-O 3.46Å; P428-S439 WeakPolarHBondContact CB-O 3.34Å; I429-S439 PolarHBondContact N-O 2.87Å; I429-S439 PolarHBondContact O-N 3.42Å; I429-S439 VanDerWaalsContact O-N 3.1Å; S439-T441 PolarHBondContact OG-N 2.77Å; S439-T441 PolarHBondContact OG-OG1 3.12Å
440	C	75.8	Confident	72.4	Confident	38 Å²	38	69.5 Å²	69.5	26%	0.257	43%	0.432	S	S	.	.			trans	-121.1	21	177.8	-73.8	0	0	0	0	113.5	C425 A470 G471	C425-C440 HydrophobicContact CB-CB 3.7Å; C425-C440 WeakPolarHBondContact CB-SG 3.49Å; C425-C440 WeakPolarHBondContact SG-CA 3.4Å; C425-C440 WeakPolarHBondContact SG-CB 3.49Å; C425-C440 CovalentContact SG-SG 2.04Å; C425-C440 PolarHBondContact SG-SG 3.13Å; C440-A470 CarbonylContact O-C 3.59Å; C440-A470 VanDerWaalsContact O-C 3.24Å; C440-G471 PolarHBondContact O-N 2.85Å
441	T	78	Confident	73	Confident	85 Å²	85	68 Å²	68	52%	0.521	43%	0.426	S	S	.	.	S	Bend	trans	-74.9	-29	179.9	52	0	0	0	0	113.8	S439	S439-T441 PolarHBondContact OG-N 2.77Å; S439-T441 PolarHBondContact OG-OG1 3.12Å
442	D	81.3	Confident	73.6	Confident	47 Å²	47	69.8 Å²	69.8	25%	0.251	43%	0.428	S	S	.	.	S	Bend	trans	-146.7	160.7	-170.4	-58.1	-90.6	0	0	0	108.1	I429 V449 E452	I429-D442 HydrophobicContact CD1-CB 3.67Å; D442-V449 HydrophobicContact CB-CG1 4.43Å; D442-E452 PolarHBondContact OD1-N 2.03Å
443	C	83.3	Confident	74.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.8	-170.3	-48.1	0	0	0	0	113	H427 V449 R450 C468 G471 N472 V473	H427-C443 HydrophobicContact CB-CB 4.44Å; C443-V449 CarbonylContact O-C 3.51Å; C443-V449 WeakPolarHBondContact O-CA 3.31Å; C443-R450 HydrophobicContact CB-CB 4.45Å; C443-R450 PolarHBondContact N-O 3.21Å; C443-R450 PolarHBondContact O-N 2.99Å; C443-C468 HydrophobicContact CB-CB 3.85Å; C443-C468 WeakPolarHBondContact CB-SG 3.02Å; C443-C468 PolarHBondContact N-SG 2.93Å; C443-C468 WeakPolarHBondContact SG-CA 3.37Å; C443-C468 WeakPolarHBondContact SG-CB 3.01Å; C443-C468 CovalentContact SG-SG 2.04Å; C443-C468 PolarHBondContact SG-SG 2.98Å; C443-G471 VanDerWaalsContact SG-C 3.58Å; C443-N472 VanDerWaalsContact SG-C 3.56Å; C443-N472 PolarHBondContact SG-O 2.84Å; C443-N472 VanDerWaalsContact SG-O 3.34Å; C443-V473 HydrophobicContact CB-CG2 3.71Å
444	F	81.8	Confident	75.7	Confident	82 Å²	82	57.9 Å²	57.9	36%	0.36	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.7	169.2	-175.1	-112.6	0	0	0	111.9	H427 I429 G447 V449	H427-F444 PolarHBondContact CD2-O 3.12Å; H427-F444 PolarHBondContact O-N 3.19Å; I429-F444 HydrophobicContact CG1-CB 4.26Å; F444-G447 VanDerWaalsContact CE2-C 3.41Å; F444-G447 WeakPolarHBondContact CE2-O 3.01Å; F444-V449 HydrophobicContact CD2-CG2 3.82Å
445	H	75.1	Confident	76.6	Confident	45 Å²	45	59.2 Å²	59.2	21%	0.208	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.5	-175.5	-170	-90.1	0	0	0	112.2	H427 G447 V448 F456 V473	H427-H445 AromaticContact CD2-CD2 3.94Å; H427-H445 AromaticContact NE2-CD2 3.7Å; H445-G447 PolarHBondContact O-N 2.04Å; H445-G447 VanDerWaalsContact O-N 3.08Å; H445-V448 PolarHBondContact N-O 2.9Å; H445-V448 PolarHBondContact O-N 2.88Å; H445-V448 VanDerWaalsContact O-O 3.09Å; H445-F456 HydrophobicContact CB-CZ 4.46Å; H445-F456 AromaticContact ND1-CE2 3.88Å; H445-F456 AromaticContact ND1-CZ 3.93Å; H445-V473 HydrophobicContact CB-CG2 3.89Å
446	S	68.5	Low	77.5	Confident	108 Å²	108	58.2 Å²	58.2	76%	0.755	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	33.9	-178.1	-54.8	0	0	0	0	115.2
447	G	72.2	Confident	77.7	Confident	57 Å²	57	59.3 Å²	59.3	59%	0.588	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-0.6	-179.8	0	0	0	0	0	115.6	F444 H445	F444-G447 VanDerWaalsContact CE2-C 3.41Å; F444-G447 WeakPolarHBondContact CE2-O 3.01Å; H445-G447 PolarHBondContact O-N 2.04Å; H445-G447 VanDerWaalsContact O-N 3.08Å
448	V	78.2	Confident	77.7	Confident	70 Å²	70	59.2 Å²	59.2	42%	0.424	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.7	-178.5	-177.6	0	0	0	0	109.9	H445	H445-V448 PolarHBondContact N-O 2.9Å; H445-V448 PolarHBondContact O-N 2.88Å; H445-V448 VanDerWaalsContact O-O 3.09Å
449	V	79.9	Confident	77	Confident	76 Å²	76	63.3 Å²	63.3	46%	0.461	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.4	167	174.9	0	0	0	0	108.7	I429 D442 C443 F444	I429-V449 HydrophobicContact CD1-CG1 3.6Å; I429-V449 HydrophobicContact CD1-CG2 4.09Å; I429-V449 HydrophobicContact CG1-CG2 4.44Å; D442-V449 HydrophobicContact CB-CG1 4.43Å; C443-V449 CarbonylContact O-C 3.51Å; C443-V449 WeakPolarHBondContact O-CA 3.31Å; F444-V449 HydrophobicContact CD2-CG2 3.82Å
450	R	80.6	Confident	76.1	Confident	80 Å²	80	68.5 Å²	68.5	30%	0.302	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.4	173.8	-64.5	-61.2	-170.3	-172.1	0.9	109	C443 D454 F456 C468	C443-R450 HydrophobicContact CB-CB 4.45Å; C443-R450 PolarHBondContact N-O 3.21Å; C443-R450 PolarHBondContact O-N 2.99Å; R450-D454 WeakPolarHBondContact CA-OD2 3.03Å; R450-D454 HydrophobicContact CB-CB 4.05Å; R450-F456 HydrophobicContact CG-CD1 4.13Å; R450-F456 HydrophobicContact CG-CE1 3.81Å; R450-F456 HydrophobicContact CG-CZ 4.39Å; R450-C468 HydrophobicContact CB-CB 4.1Å
451	A	81.2	Confident	75.4	Confident	46 Å²	46	71.4 Å²	71.4	38%	0.38	43%	0.427	S	S	.	.			trans	-73.9	159.2	177.3	0	0	0	0	0	111.1	G453 D454 C468	A451-G453 PolarHBondContact O-N 3.5Å; A451-D454 PolarHBondContact N-OD2 2.85Å; A451-D454 VanDerWaalsContact O-CB 3.31Å; A451-D454 WeakPolarHBondContact O-CB 3.11Å; A451-D454 PolarHBondContact O-N 2.03Å; A451-C468 WeakPolarHBondContact O-CB 3.17Å
452	E	80.3	Confident	74.4	Confident	95 Å²	95	75.1 Å²	75.1	44%	0.444	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	123.2	173.3	-175.3	65.2	176	0	0	112.1	D442 L469 A470	D442-E452 PolarHBondContact OD1-N 2.03Å; E452-L469 WeakPolarHBondContact OE1-CA 3.43Å; E452-L469 VanDerWaalsContact OE2-CA 3.25Å; E452-L469 WeakPolarHBondContact OE2-CA 3.49Å; E452-A470 PolarHBondContact OE1-N 3.08Å; E452-A470 PolarHBondContact OE2-N 3.47Å
453	G	77.4	Confident	73.7	Confident	41 Å²	41	75.1 Å²	75.1	42%	0.423	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-2.9	-176.8	0	0	0	0	0	116.1	A451 V455 C468	A451-G453 PolarHBondContact O-N 3.5Å; G453-V455 PolarHBondContact O-N 3.5Å; G453-C468 WeakPolarHBondContact CA-O 3.35Å; G453-C468 PolarHBondContact N-O 3.12Å
454	D	82.6	Confident	73.1	Confident	61 Å²	61	75.6 Å²	75.6	33%	0.326	45%	0.45	S	S	.	.			trans	-60.2	120.7	177.5	-93	-11.2	0	0	0	111.7	R450 A451 V467 C468	R450-D454 WeakPolarHBondContact CA-OD2 3.03Å; R450-D454 HydrophobicContact CB-CB 4.05Å; A451-D454 PolarHBondContact N-OD2 2.85Å; A451-D454 VanDerWaalsContact O-CB 3.31Å; A451-D454 WeakPolarHBondContact O-CB 3.11Å; A451-D454 PolarHBondContact O-N 2.03Å; D454-V467 CarbonylContact O-C 3.56Å; D454-V467 VanDerWaalsContact O-CA 3.29Å; D454-V467 WeakPolarHBondContact O-CA 3.37Å; D454-C468 PolarHBondContact O-N 3.41Å
455	V	79.9	Confident	72.9	Confident	102 Å²	102	75.1 Å²	75.1	62%	0.618	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.4	171.4	-177.9	0	0	0	0	110.4	G453 V465 C466 V467	G453-V455 PolarHBondContact O-N 3.5Å; V455-V465 HydrophobicContact CG1-CG1 3.55Å; V455-C466 CarbonylContact C-O 3.52Å; V455-C466 VanDerWaalsContact CA-O 3.25Å; V455-C466 WeakPolarHBondContact CA-O 3.1Å; V455-V467 HydrophobicContact CG2-CB 4.15Å; V455-V467 HydrophobicContact CG2-CG2 3.82Å
456	F	80.2	Confident	73.2	Confident	24 Å²	24	73 Å²	73	11%	0.105	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	151.6	-178.5	65.6	-86	0	0	0	113	H445 R450 C466 V473	H445-F456 HydrophobicContact CB-CZ 4.46Å; H445-F456 AromaticContact ND1-CE2 3.88Å; H445-F456 AromaticContact ND1-CZ 3.93Å; R450-F456 HydrophobicContact CG-CD1 4.13Å; R450-F456 HydrophobicContact CG-CE1 3.81Å; R450-F456 HydrophobicContact CG-CZ 4.39Å; F456-C466 HydrophobicContact CD1-CB 4.47Å; F456-C466 HydrophobicContact CD2-CB 4.31Å; F456-C466 HydrophobicContact CE1-CB 4.11Å; F456-C466 HydrophobicContact CE2-CB 3.93Å; F456-C466 HydrophobicContact CZ-CB 3.83Å; F456-C466 PolarHBondContact N-O 2.69Å; F456-C466 WeakPolarHBondContact O-CA 3.13Å; F456-C466 WeakPolarHBondContact O-CB 3.43Å; F456-C466 PolarHBondContact O-N 2.04Å; F456-V473 HydrophobicContact CE1-CG1 4.26Å; F456-V473 HydrophobicContact CZ-CG1 3.8Å; F456-V473 HydrophobicContact CZ-CG2 4.44Å
457	S	73.6	Confident	73.9	Confident	73 Å²	73	69.6 Å²	69.6	51%	0.51	42%	0.418	S	S	.	.			trans	-101.6	137.8	168.4	-67.4	0	0	0	0	110.8	T464	S457-T464 VanDerWaalsContact CB-O 3.25Å; S457-T464 WeakPolarHBondContact CB-O 3.33Å; S457-T464 PolarHBondContact OG-O 2.94Å
458	P	71.2	Confident	74.5	Confident	21 Å²	21	66.9 Å²	66.9	14%	0.136	39%	0.39	C	S	.	.			trans	-64.6	139.8	171.1	-18.5	31.5	0	0	0	111.2	N460 E461 T464	P458-N460 PolarHBondContact O-N 2.85Å; P458-E461 HydrophobicContact CB-CB 4.17Å; P458-E461 HydrophobicContact CB-CG 4.36Å; P458-E461 HydrophobicContact CG-CB 4.35Å; P458-E461 PolarHBondContact O-N 3.11Å; P458-E461 VanDerWaalsContact O-N 3.14Å; P458-T464 HydrophobicContact CG-CG2 4.31Å
459	P	59.8	Low	74.6	Confident	132 Å²	132	67.6 Å²	67.6	86%	0.857	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.7	-172.3	27.6	-36.2	0	0	0	114.8
460	N	57.8	Low	74.3	Confident	155 Å²	155	66.7 Å²	66.7	83%	0.829	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-0.3	-179.5	-62	-0.9	0	0	0	112.8	P458	P458-N460 PolarHBondContact O-N 2.85Å
461	E	60.6	Low	74	Confident	99 Å²	99	62.9 Å²	62.9	46%	0.463	38%	0.377	S	S	.	.			trans	-124.7	78.6	-174.2	-67.7	-179.3	-143.2	0	0	111	P458 C463 T464	P458-E461 HydrophobicContact CB-CB 4.17Å; P458-E461 HydrophobicContact CB-CG 4.36Å; P458-E461 HydrophobicContact CG-CB 4.35Å; P458-E461 PolarHBondContact O-N 3.11Å; P458-E461 VanDerWaalsContact O-N 3.14Å; E461-C463 PolarHBondContact O-N 3.5Å; E461-T464 PolarHBondContact O-N 3.33Å; E461-T464 VanDerWaalsContact O-N 3.16Å; E461-T464 WeakPolarHBondContact OE2-CB 3.44Å; E461-T464 WeakPolarHBondContact OE2-CG2 3.31Å; E461-T464 PolarHBondContact OE2-OG1 2.85Å
462	N	57.6	Low	73.8	Confident	163 Å²	163	63.5 Å²	63.5	87%	0.872	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	134.7	172	-157.9	19.2	0	0	0	109.4
463	C	65.1	Low	73.8	Confident	47 Å²	47	60 Å²	60	32%	0.318	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	4.8	-167.4	-38.9	0	0	0	0	117.2	E461 P478 C493	E461-C463 PolarHBondContact O-N 3.5Å; C463-P478 HydrophobicContact CB-CG 4.33Å; C463-P478 WeakPolarHBondContact O-CD 3.35Å; C463-C493 HydrophobicContact CB-CB 4.2Å; C463-C493 WeakPolarHBondContact CB-SG 3.47Å; C463-C493 WeakPolarHBondContact SG-CB 3.5Å; C463-C493 CovalentContact SG-SG 2.08Å; C463-C493 PolarHBondContact SG-SG 3.19Å
464	T	71.2	Confident	73.8	Confident	11 Å²	11	60.9 Å²	60.9	7%	0.067	36%	0.359	C	S	.	.			trans	-98.6	140.8	166.9	-63.3	0	0	0	0	112.2	S457 P458 E461 C475 S477	S457-T464 VanDerWaalsContact CB-O 3.25Å; S457-T464 WeakPolarHBondContact CB-O 3.33Å; S457-T464 PolarHBondContact OG-O 2.94Å; P458-T464 HydrophobicContact CG-CG2 4.31Å; E461-T464 PolarHBondContact O-N 3.33Å; E461-T464 VanDerWaalsContact O-N 3.16Å; E461-T464 WeakPolarHBondContact OE2-CB 3.44Å; E461-T464 WeakPolarHBondContact OE2-CG2 3.31Å; E461-T464 PolarHBondContact OE2-OG1 2.85Å; T464-C475 HydrophobicContact CG2-CB 4.19Å; T464-S477 WeakPolarHBondContact CB-OG 3.06Å; T464-S477 WeakPolarHBondContact CG2-OG 3.41Å; T464-S477 PolarHBondContact OG1-OG 3.03Å
465	V	78.9	Confident	73.7	Confident	71 Å²	71	61.3 Å²	61.3	43%	0.43	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.9	173.3	-177.4	0	0	0	0	111.1	V455 C475 I476	V455-V465 HydrophobicContact CG1-CG1 3.55Å; V465-C475 CarbonylContact O-C 3.58Å; V465-C475 WeakPolarHBondContact O-CA 3.45Å; V465-I476 PolarHBondContact N-O 2.9Å; V465-I476 PolarHBondContact O-N 2.92Å
466	C	81.2	Confident	73.2	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.014	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152.5	-178.2	-54.7	0	0	0	0	112.7	V455 F456 V473 S474 C475	V455-C466 CarbonylContact C-O 3.52Å; V455-C466 VanDerWaalsContact CA-O 3.25Å; V455-C466 WeakPolarHBondContact CA-O 3.1Å; F456-C466 HydrophobicContact CD1-CB 4.47Å; F456-C466 HydrophobicContact CD2-CB 4.31Å; F456-C466 HydrophobicContact CE1-CB 4.11Å; F456-C466 HydrophobicContact CE2-CB 3.93Å; F456-C466 HydrophobicContact CZ-CB 3.83Å; F456-C466 PolarHBondContact N-O 2.69Å; F456-C466 WeakPolarHBondContact O-CA 3.13Å; F456-C466 WeakPolarHBondContact O-CB 3.43Å; F456-C466 PolarHBondContact O-N 2.04Å; C466-V473 HydrophobicContact CB-CG1 3.89Å; C466-S474 CarbonylContact C-O 3.4Å; C466-S474 VanDerWaalsContact CA-O 3.31Å; C466-S474 WeakPolarHBondContact CA-O 3.45Å; C466-C475 HydrophobicContact CB-CB 4.05Å; C466-C475 WeakPolarHBondContact CB-SG 3.09Å; C466-C475 WeakPolarHBondContact SG-CB 3.32Å; C466-C475 CovalentContact SG-SG 2.04Å; C466-C475 PolarHBondContact SG-SG 3.48Å
467	V	83.6	Confident	72.5	Confident	36 Å²	36	64.2 Å²	64.2	22%	0.218	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143	172.7	66.8	0	0	0	0	111.7	D454 V455 L469 V473 S474	D454-V467 CarbonylContact O-C 3.56Å; D454-V467 VanDerWaalsContact O-CA 3.29Å; D454-V467 WeakPolarHBondContact O-CA 3.37Å; V455-V467 HydrophobicContact CG2-CB 4.15Å; V455-V467 HydrophobicContact CG2-CG2 3.82Å; V467-L469 HydrophobicContact CG1-CD1 4.16Å; V467-L469 HydrophobicContact CG1-CG 4.32Å; V467-L469 HydrophobicContact CG2-CG 4.32Å; V467-V473 WeakPolarHBondContact O-CA 3.15Å; V467-S474 PolarHBondContact N-O 3.11Å; V467-S474 PolarHBondContact O-N 3.01Å
468	C	83.6	Confident	72	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.7	169.2	174.8	0	0	0	0	111.4	C443 R450 A451 G453 D454	C443-C468 HydrophobicContact CB-CB 3.85Å; C443-C468 WeakPolarHBondContact CB-SG 3.02Å; C443-C468 PolarHBondContact N-SG 2.93Å; C443-C468 WeakPolarHBondContact SG-CA 3.37Å; C443-C468 WeakPolarHBondContact SG-CB 3.01Å; C443-C468 CovalentContact SG-SG 2.04Å; C443-C468 PolarHBondContact SG-SG 2.98Å; R450-C468 HydrophobicContact CB-CB 4.1Å; A451-C468 WeakPolarHBondContact O-CB 3.17Å; G453-C468 WeakPolarHBondContact CA-O 3.35Å; G453-C468 PolarHBondContact N-O 3.12Å; D454-C468 PolarHBondContact O-N 3.41Å
469	L	79.8	Confident	71.3	Confident	85 Å²	85	72.7 Å²	72.7	45%	0.445	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	120.5	175.2	-66	174	0	0	0	111.4	E452 V467 G471 N472	E452-L469 WeakPolarHBondContact OE1-CA 3.43Å; E452-L469 VanDerWaalsContact OE2-CA 3.25Å; E452-L469 WeakPolarHBondContact OE2-CA 3.49Å; V467-L469 HydrophobicContact CG1-CD1 4.16Å; V467-L469 HydrophobicContact CG1-CG 4.32Å; V467-L469 HydrophobicContact CG2-CG 4.32Å; L469-G471 VanDerWaalsContact C-N 3.33Å; L469-G471 PolarHBondContact O-N 2.91Å; L469-N472 PolarHBondContact N-O 2.89Å; L469-N472 WeakPolarHBondContact O-CA 3.49Å; L469-N472 WeakPolarHBondContact O-CB 3.44Å; L469-N472 PolarHBondContact O-N 3.36Å
470	A	74.8	Confident	71.1	Confident	57 Å²	57	69.9 Å²	69.9	47%	0.471	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.6	48.3	-177.9	0	0	0	0	0	114.6	C440 E452 N472	C440-A470 CarbonylContact O-C 3.59Å; C440-A470 VanDerWaalsContact O-C 3.24Å; E452-A470 PolarHBondContact OE1-N 3.08Å; E452-A470 PolarHBondContact OE2-N 3.47Å; A470-N472 PolarHBondContact O-N 3.43Å
471	G	73.3	Confident	70.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	12.5	-177.8	0	0	0	0	0	114.7	H427 C440 C443 L469	H427-G471 CarbonylContact C-O 3.5Å; H427-G471 WeakPolarHBondContact CA-O 3.4Å; H427-G471 PolarHBondContact N-O 2.94Å; C440-G471 PolarHBondContact O-N 2.85Å; C443-G471 VanDerWaalsContact SG-C 3.58Å; L469-G471 VanDerWaalsContact C-N 3.33Å; L469-G471 PolarHBondContact O-N 2.91Å
472	N	77.1	Confident	70.2	Confident	59 Å²	59	70.1 Å²	70.1	32%	0.316	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.5	169.7	-61.7	-52.1	0	0	0	111	S426 C443 L469 A470	S426-N472 WeakPolarHBondContact CB-OD1 3.36Å; S426-N472 PolarHBondContact N-OD1 3.07Å; S426-N472 WeakPolarHBondContact OG-CA 3.2Å; S426-N472 PolarHBondContact OG-OD1 3.25Å; C443-N472 VanDerWaalsContact SG-C 3.56Å; C443-N472 PolarHBondContact SG-O 2.84Å; C443-N472 VanDerWaalsContact SG-O 3.34Å; L469-N472 PolarHBondContact N-O 2.89Å; L469-N472 WeakPolarHBondContact O-CA 3.49Å; L469-N472 WeakPolarHBondContact O-CB 3.44Å; L469-N472 PolarHBondContact O-N 3.36Å; A470-N472 PolarHBondContact O-N 3.43Å
473	V	81.4	Confident	69.7	Low	21 Å²	21	64.7 Å²	64.7	13%	0.127	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.9	166.5	-179.6	0	0	0	0	109	C443 H445 F456 C466 V467	C443-V473 HydrophobicContact CB-CG2 3.71Å; H445-V473 HydrophobicContact CB-CG2 3.89Å; F456-V473 HydrophobicContact CE1-CG1 4.26Å; F456-V473 HydrophobicContact CZ-CG1 3.8Å; F456-V473 HydrophobicContact CZ-CG2 4.44Å; C466-V473 HydrophobicContact CB-CG1 3.89Å; V467-V473 WeakPolarHBondContact O-CA 3.15Å
474	S	77.7	Confident	68.9	Low	60 Å²	60	68.9 Å²	68.9	42%	0.42	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.6	174.8	-59.1	0	0	0	0	109.3	C466 V467	C466-S474 CarbonylContact C-O 3.4Å; C466-S474 VanDerWaalsContact CA-O 3.31Å; C466-S474 WeakPolarHBondContact CA-O 3.45Å; V467-S474 PolarHBondContact N-O 3.11Å; V467-S474 PolarHBondContact O-N 3.01Å
475	C	79.4	Confident	68	Low	69 Å²	69	72.1 Å²	72.1	47%	0.466	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.4	179.7	-59.8	0	0	0	0	111.6	T464 V465 C466	T464-C475 HydrophobicContact CG2-CB 4.19Å; V465-C475 CarbonylContact O-C 3.58Å; V465-C475 WeakPolarHBondContact O-CA 3.45Å; C466-C475 HydrophobicContact CB-CB 4.05Å; C466-C475 WeakPolarHBondContact CB-SG 3.09Å; C466-C475 WeakPolarHBondContact SG-CB 3.32Å; C466-C475 CovalentContact SG-SG 2.04Å; C466-C475 PolarHBondContact SG-SG 3.48Å
476	I	69.3	Low	66.6	Low	130 Å²	130	77 Å²	77	67%	0.667	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.8	179	-43.6	177.1	0	0	0	108.1	V465	V465-I476 PolarHBondContact N-O 2.9Å; V465-I476 PolarHBondContact O-N 2.92Å
477	S	65.7	Low	64.7	Low	57 Å²	57	84 Å²	84	40%	0.399	51%	0.513	S	S	.	.			trans	-137.8	150	176.4	-46.4	0	0	0	0	108.4	T464	T464-S477 WeakPolarHBondContact CB-OG 3.06Å; T464-S477 WeakPolarHBondContact CG2-OG 3.41Å; T464-S477 PolarHBondContact OG1-OG 3.03Å
478	P	62.5	Low	62.5	Low	83 Å²	83	89.7 Å²	89.7	54%	0.539	54%	0.541	S	S	.	.			trans	-74.7	126.9	-179.8	29.5	-33.5	0	0	0	111.7	C463 C480	C463-P478 HydrophobicContact CB-CG 4.33Å; C463-P478 WeakPolarHBondContact O-CD 3.35Å; P478-C480 PolarHBondContact O-N 2.64Å
479	E	56.6	Low	60.8	Low	190 Å²	190	94.3 Å²	94.3	89%	0.888	57%	0.571	S	S	*	*			trans	-87.1	97.3	179.4	-63.2	170.9	147.7	0	0	110.1	P481	E479-P481 WeakPolarHBondContact O-CD 3Å
480	C	55.8	Low	59	Low	72 Å²	72	99.6 Å²	99.6	49%	0.486	59%	0.593	S	S	.	*			trans	-68	123.6	176	-49.9	0	0	0	0	110	P478 C494	P478-C480 PolarHBondContact O-N 2.64Å; C480-C494 HydrophobicContact CB-CB 4.11Å; C480-C494 WeakPolarHBondContact CB-SG 3.07Å; C480-C494 WeakPolarHBondContact SG-CB 3.19Å; C480-C494 CovalentContact SG-SG 2.06Å; C480-C494 PolarHBondContact SG-SG 2.76Å
481	P	53.5	Low	57.6	Low	118 Å²	118	101.2 Å²	101.2	77%	0.766	60%	0.602	S	S	*	*			trans	-76.5	146.2	-178.8	30.2	-35.2	0	0	0	112.9	E479 G483	E479-P481 WeakPolarHBondContact O-CD 3Å; P481-G483 PolarHBondContact O-N 2.85Å
482	P	46.8	Very low	56.8	Low	142 Å²	142	109.1 Å²	109.1	92%	0.922	64%	0.644	S	S	*	*			trans	-77.6	110.7	179.1	30.5	-33.4	0	0	0	111.5
483	G	47.2	Very low	56	Low	49 Å²	49	110 Å²	110	51%	0.505	65%	0.653	S	S	.	*			trans	-146.8	152.6	174.5	0	0	0	0	0	112.4	P481 C485	P481-G483 PolarHBondContact O-N 2.85Å; G483-C485 PolarHBondContact O-N 3.33Å
484	P	47	Very low	54.8	Low	134 Å²	134	112.2 Å²	112.2	87%	0.87	67%	0.669	S	S	*	*			trans	-70.7	113.2	-178.1	28.2	-33.9	0	0	0	111	Q486	P484-Q486 PolarHBondContact O-N 3.01Å
485	C	52.2	Low	53.6	Low	79 Å²	79	113.6 Å²	113.6	53%	0.534	69%	0.685	S	S	.	*			trans	-72.7	97.6	-175.4	-58.1	0	0	0	0	112.9	G483 C496	G483-C485 PolarHBondContact O-N 3.33Å; C485-C496 HydrophobicContact CB-CB 3.55Å; C485-C496 WeakPolarHBondContact CB-SG 3.04Å; C485-C496 WeakPolarHBondContact SG-CB 3.26Å; C485-C496 CovalentContact SG-SG 2.04Å; C485-C496 PolarHBondContact SG-SG 3.08Å
486	Q	49.5	Very low	52.5	Low	175 Å²	175	113.8 Å²	113.8	82%	0.818	69%	0.685	S	S	*	*			trans	-111.3	135.2	155.1	-63.9	-166.7	12.2	0	0	109.4	P484	P484-Q486 PolarHBondContact O-N 3.01Å
487	T	41.4	Very low	51.8	Low	148 Å²	148	112.9 Å²	112.9	91%	0.908	69%	0.686	S	S	*	*	S	Bend	trans	75.6	154.9	-169.3	76.6	0	0	0	0	116.1
488	L	38.4	Very low	51.4	Low	155 Å²	155	114.6 Å²	114.6	81%	0.812	70%	0.696	S	S	*	*			trans	-163.1	150.1	-159.7	-179	93.9	0	0	0	108.3
489	P	48	Very low	51.3	Low	98 Å²	98	114 Å²	114	64%	0.636	69%	0.69	S	S	*	*			cis	-121.6	167.3	-34.9	36.1	-22.9	0	0	0	111.9
490	Q	42.1	Very low	52	Low	195 Å²	195	111.2 Å²	111.2	91%	0.911	67%	0.672	S	S	*	*	S	Bend	trans	-152.8	39.8	158	-146.8	169.1	0.2	0	0	116.6
491	S	43.9	Very low	53	Low	92 Å²	92	107.9 Å²	107.9	64%	0.643	65%	0.649	S	S	*	*			trans	179.1	147.2	151.3	38.5	0	0	0	0	111.4
492	D	56.3	Low	54.1	Low	166 Å²	166	108.7 Å²	108.7	89%	0.888	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	3.2	-163.9	-59.2	-55.2	0	0	0	116.5
493	C	61.5	Low	55.3	Low	76 Å²	76	104 Å²	104	51%	0.514	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-23.9	174.6	-75.3	0	0	0	0	113.9	C463	C463-C493 HydrophobicContact CB-CB 4.2Å; C463-C493 WeakPolarHBondContact CB-SG 3.47Å; C463-C493 WeakPolarHBondContact SG-CB 3.5Å; C463-C493 CovalentContact SG-SG 2.08Å; C463-C493 PolarHBondContact SG-SG 3.19Å
494	C	55.7	Low	56.2	Low	68 Å²	68	108.4 Å²	108.4	46%	0.459	61%	0.61	S	S	.	*			trans	-117.2	92.2	179.2	-55.6	0	0	0	0	110.9	C480	C480-C494 HydrophobicContact CB-CB 4.11Å; C480-C494 WeakPolarHBondContact CB-SG 3.07Å; C480-C494 WeakPolarHBondContact SG-CB 3.19Å; C480-C494 CovalentContact SG-SG 2.06Å; C480-C494 PolarHBondContact SG-SG 2.76Å
495	A	53.6	Low	57.3	Low	90 Å²	90	104.6 Å²	104.6	74%	0.744	60%	0.595	S	S	*	*			trans	-96.2	121.9	177.2	0	0	0	0	0	112.1	V497	A495-V497 PolarHBondContact O-N 3.32Å
496	C	55.5	Low	58.3	Low	72 Å²	72	109.2 Å²	109.2	49%	0.486	60%	0.601	S	S	.	*			trans	-70	111.8	-178.8	-64.1	0	0	0	0	112.8	C485	C485-C496 HydrophobicContact CB-CB 3.55Å; C485-C496 WeakPolarHBondContact CB-SG 3.04Å; C485-C496 WeakPolarHBondContact SG-CB 3.26Å; C485-C496 CovalentContact SG-SG 2.04Å; C485-C496 PolarHBondContact SG-SG 3.08Å
497	V	55.3	Low	59.7	Low	112 Å²	112	108.9 Å²	108.9	68%	0.679	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-80	127.7	171	-180	0	0	0	0	109.3	A495 V499	A495-V497 PolarHBondContact O-N 3.32Å; V497-V499 PolarHBondContact O-N 2.92Å; V497-V499 VanDerWaalsContact O-N 3.16Å
498	P	56.4	Low	61.4	Low	92 Å²	92	104.4 Å²	104.4	60%	0.597	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-66.4	118.2	174.7	26.5	-33	0	0	0	109.7	R500	P498-R500 PolarHBondContact O-NE 2.97Å
499	V	60.2	Low	63.3	Low	71 Å²	71	100.2 Å²	100.2	43%	0.43	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-65.3	139.2	-166.8	-174.9	0	0	0	0	111.2	V497 D510 G529	V497-V499 PolarHBondContact O-N 2.92Å; V497-V499 VanDerWaalsContact O-N 3.16Å; V499-D510 HydrophobicContact CB-CB 4.39Å; V499-G529 VanDerWaalsContact CG1-CA 3.45Å
500	R	71.8	Confident	64.5	Low	132 Å²	132	99.3 Å²	99.3	50%	0.498	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	146.4	-175.8	65.1	-175.9	75.4	170.4	2.4	109.3	P498 W507 Y508	P498-R500 PolarHBondContact O-NE 2.97Å; R500-W507 HydrophobicContact CB-CE3 4.36Å; R500-W507 HydrophobicContact CG-CE3 3.66Å; R500-W507 HydrophobicContact CG-CZ3 3.8Å; R500-Y508 CarbonylContact C-O 3.57Å; R500-Y508 WeakPolarHBondContact CA-O 3.4Å; R500-Y508 WeakPolarHBondContact CB-O 3.38Å
501	C	76.4	Confident	66	Low	1 Å²	1	92.6 Å²	92.6	1%	0.007	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.2	-178.8	-40.8	0	0	0	0	110.7	W507 Y508 C526 G529 E530 V531	C501-W507 WeakPolarHBondContact O-CA 3.16Å; C501-Y508 PolarHBondContact N-O 2.76Å; C501-Y508 PolarHBondContact O-N 2.83Å; C501-C526 HydrophobicContact CB-CB 3.75Å; C501-C526 WeakPolarHBondContact CB-SG 3.31Å; C501-C526 PolarHBondContact N-SG 3.24Å; C501-C526 WeakPolarHBondContact SG-CA 3.37Å; C501-C526 WeakPolarHBondContact SG-CB 3.36Å; C501-C526 CovalentContact SG-SG 2.02Å; C501-C526 PolarHBondContact SG-SG 2.93Å; C501-G529 WeakPolarHBondContact SG-CA 3.48Å; C501-G529 PolarHBondContact SG-O 2.9Å; C501-E530 PolarHBondContact SG-O 2.82Å; C501-V531 HydrophobicContact CB-CG2 3.34Å
502	Y	76.5	Confident	67.5	Low	135 Å²	135	89.7 Å²	89.7	53%	0.529	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124	178	-174.5	-111.9	0	0	0	110.7	G505 R506 W507	Y502-G505 WeakPolarHBondContact OH-CA 3.47Å; Y502-R506 WeakPolarHBondContact CA-O 3.04Å; Y502-R506 VanDerWaalsContact CD2-O 3.28Å; Y502-R506 WeakPolarHBondContact CD2-O 3.01Å; Y502-W507 AromaticContact CD2-CD1 3.94Å; Y502-W507 AromaticContact CD2-CD2 3.67Å; Y502-W507 HydrophobicContact CD2-CD2 3.67Å; Y502-W507 AromaticContact CD2-CE2 3.51Å; Y502-W507 HydrophobicContact CD2-CE3 4.2Å; Y502-W507 AromaticContact CD2-CG 3.97Å; Y502-W507 HydrophobicContact CD2-CG 3.97Å; Y502-W507 HydrophobicContact CD2-CH2 4.45Å; Y502-W507 AromaticContact CD2-CZ2 3.93Å; Y502-W507 HydrophobicContact CD2-CZ2 3.93Å; Y502-W507 AromaticContact CD2-NE1 3.66Å; Y502-W507 AromaticContact CE2-NE1 3.79Å; Y502-W507 HydrophobicContact CG-CD2 4.38Å; Y502-W507 HydrophobicContact CG-CE3 4.48Å; Y502-W507 HydrophobicContact CG-CH2 4.41Å; Y502-W507 HydrophobicContact CG-CZ2 4.28Å
503	F	72	Confident	68.6	Low	44 Å²	44	86.4 Å²	86.4	19%	0.193	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	133.2	-177.3	-163.4	-95.9	0	0	0	111.5	G505 R506 Y508 F514 V531 C533	F503-G505 PolarHBondContact O-N 3.29Å; F503-R506 PolarHBondContact N-O 2.04Å; F503-R506 PolarHBondContact O-N 3.45Å; F503-Y508 HydrophobicContact CB-CD2 4.12Å; F503-Y508 HydrophobicContact CB-CE2 3.9Å; F503-F514 HydrophobicContact CB-CE2 3.87Å; F503-F514 HydrophobicContact CB-CZ 4.01Å; F503-F514 HydrophobicContact CD1-CD2 4.48Å; F503-F514 AromaticContact CD1-CE2 3.65Å; F503-F514 HydrophobicContact CD1-CE2 3.65Å; F503-F514 HydrophobicContact CE1-CE2 4.35Å; F503-F514 AromaticContact CG-CE2 3.82Å; F503-F514 HydrophobicContact CG-CE2 3.82Å; F503-F514 HydrophobicContact CG-CZ 4.27Å; F503-V531 HydrophobicContact CB-CG2 4.2Å; F503-V531 HydrophobicContact CD2-CB 4.05Å; F503-V531 HydrophobicContact CD2-CG1 3.75Å; F503-V531 HydrophobicContact CD2-CG2 4.23Å; F503-V531 HydrophobicContact CE2-CG1 4.15Å; F503-V531 HydrophobicContact CG-CG1 4.26Å; F503-C533 VanDerWaalsContact CE2-SG 3.55Å; F503-C533 VanDerWaalsContact CZ-SG 3.53Å
504	H	66.9	Low	69.3	Low	142 Å²	142	83.9 Å²	83.9	66%	0.657	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.1	44.8	176.5	-81.1	-118.2	0	0	0	114.2
505	G	68.9	Low	70.2	Confident	53 Å²	53	84.2 Å²	84.2	55%	0.546	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	1.2	176.3	0	0	0	0	0	116	Y502 F503	Y502-G505 WeakPolarHBondContact OH-CA 3.47Å; F503-G505 PolarHBondContact O-N 3.29Å
506	R	74	Confident	70.7	Confident	176 Å²	176	80.3 Å²	80.3	66%	0.664	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	153.3	-177.6	-58.5	-173.3	-171.2	-153.6	2.6	112.1	Y502 F503 Y508	Y502-R506 WeakPolarHBondContact CA-O 3.04Å; Y502-R506 VanDerWaalsContact CD2-O 3.28Å; Y502-R506 WeakPolarHBondContact CD2-O 3.01Å; F503-R506 PolarHBondContact N-O 2.04Å; F503-R506 PolarHBondContact O-N 3.45Å; R506-Y508 HydrophobicContact CB-CE2 3.8Å
507	W	79	Confident	70.9	Confident	169 Å²	169	79.2 Å²	79.2	64%	0.64	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.1	173.4	-67.3	94.2	0	0	0	110.2	R500 C501 Y502	R500-W507 HydrophobicContact CB-CE3 4.36Å; R500-W507 HydrophobicContact CG-CE3 3.66Å; R500-W507 HydrophobicContact CG-CZ3 3.8Å; C501-W507 WeakPolarHBondContact O-CA 3.16Å; Y502-W507 AromaticContact CD2-CD1 3.94Å; Y502-W507 AromaticContact CD2-CD2 3.67Å; Y502-W507 HydrophobicContact CD2-CD2 3.67Å; Y502-W507 AromaticContact CD2-CE2 3.51Å; Y502-W507 HydrophobicContact CD2-CE3 4.2Å; Y502-W507 AromaticContact CD2-CG 3.97Å; Y502-W507 HydrophobicContact CD2-CG 3.97Å; Y502-W507 HydrophobicContact CD2-CH2 4.45Å; Y502-W507 AromaticContact CD2-CZ2 3.93Å; Y502-W507 HydrophobicContact CD2-CZ2 3.93Å; Y502-W507 AromaticContact CD2-NE1 3.66Å; Y502-W507 AromaticContact CE2-NE1 3.79Å; Y502-W507 HydrophobicContact CG-CD2 4.38Å; Y502-W507 HydrophobicContact CG-CE3 4.48Å; Y502-W507 HydrophobicContact CG-CH2 4.41Å; Y502-W507 HydrophobicContact CG-CZ2 4.28Å
508	Y	76.4	Confident	71.1	Confident	53 Å²	53	77.3 Å²	77.3	21%	0.208	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141	177.9	-62.3	-88.1	0	0	0	109.1	R500 C501 F503 R506 F514	R500-Y508 CarbonylContact C-O 3.57Å; R500-Y508 WeakPolarHBondContact CA-O 3.4Å; R500-Y508 WeakPolarHBondContact CB-O 3.38Å; C501-Y508 PolarHBondContact N-O 2.76Å; C501-Y508 PolarHBondContact O-N 2.83Å; F503-Y508 HydrophobicContact CB-CD2 4.12Å; F503-Y508 HydrophobicContact CB-CE2 3.9Å; R506-Y508 HydrophobicContact CB-CE2 3.8Å; Y508-F514 HydrophobicContact CD1-CB 4.07Å; Y508-F514 AromaticContact CD1-CD1 3.3Å; Y508-F514 HydrophobicContact CD1-CD1 3.3Å; Y508-F514 HydrophobicContact CD1-CD2 4.2Å; Y508-F514 AromaticContact CD1-CE1 3.67Å; Y508-F514 HydrophobicContact CD1-CE1 3.67Å; Y508-F514 HydrophobicContact CD1-CE2 4.5Å; Y508-F514 AromaticContact CD1-CG 3.59Å; Y508-F514 HydrophobicContact CD1-CG 3.59Å; Y508-F514 HydrophobicContact CD1-CZ 4.24Å; Y508-F514 HydrophobicContact CD2-CD1 4.22Å; Y508-F514 HydrophobicContact CD2-CD2 4.41Å; Y508-F514 AromaticContact CD2-CE1 3.79Å; Y508-F514 HydrophobicContact CD2-CE1 3.79Å; Y508-F514 AromaticContact CD2-CE2 3.99Å; Y508-F514 HydrophobicContact CD2-CE2 3.99Å; Y508-F514 AromaticContact CD2-CZ 3.64Å; Y508-F514 HydrophobicContact CD2-CZ 3.64Å; Y508-F514 HydrophobicContact CE1-CB 3.65Å; Y508-F514 AromaticContact CE1-CD1 3.68Å; Y508-F514 HydrophobicContact CE1-CD1 3.68Å; Y508-F514 AromaticContact CE1-CD2 3.77Å; Y508-F514 HydrophobicContact CE1-CD2 3.77Å; Y508-F514 HydrophobicContact CE1-CE1 4.24Å; Y508-F514 HydrophobicContact CE1-CE2 4.31Å; Y508-F514 AromaticContact CE1-CG 3.41Å; Y508-F514 HydrophobicContact CE1-CG 3.41Å; Y508-F514 VanDerWaalsContact CE1-CG 3.41Å; Y508-F514 HydrophobicContact CE2-CD2 4Å; Y508-F514 HydrophobicContact CE2-CE1 4.34Å; Y508-F514 AromaticContact CE2-CE2 3.78Å; Y508-F514 HydrophobicContact CE2-CE2 3.78Å; Y508-F514 HydrophobicContact CE2-CG 4.37Å; Y508-F514 AromaticContact CE2-CZ 3.94Å; Y508-F514 HydrophobicContact CE2-CZ 3.94Å; Y508-F514 AromaticContact CG-CD1 3.6Å; Y508-F514 HydrophobicContact CG-CD1 3.6Å; Y508-F514 HydrophobicContact CG-CD2 4.5Å; Y508-F514 AromaticContact CG-CE1 3.41Å; Y508-F514 HydrophobicContact CG-CE1 3.41Å; Y508-F514 VanDerWaalsContact CG-CE1 3.41Å; Y508-F514 HydrophobicContact CG-CE2 4.34Å; Y508-F514 HydrophobicContact CG-CG 4.15Å; Y508-F514 AromaticContact CG-CZ 3.79Å; Y508-F514 HydrophobicContact CG-CZ 3.79Å; Y508-F514 AromaticContact CZ-CD2 3.65Å; Y508-F514 AromaticContact CZ-CE2 3.95Å; Y508-F514 AromaticContact CZ-CG 3.82Å
509	A	78.6	Confident	71.3	Confident	67 Å²	67	78.1 Å²	78.1	55%	0.554	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	154	175.8	0	0	0	0	0	110.6	G511 A512 C526	A509-G511 PolarHBondContact O-N 3.27Å; A509-A512 WeakPolarHBondContact O-CB 3.4Å; A509-A512 PolarHBondContact O-N 2.97Å; A509-C526 VanDerWaalsContact C-SG 3.55Å; A509-C526 VanDerWaalsContact O-CB 3.31Å; A509-C526 WeakPolarHBondContact O-CB 3.42Å; A509-C526 PolarHBondContact O-SG 3.46Å
510	D	73.2	Confident	71.4	Confident	80 Å²	80	82.7 Å²	82.7	43%	0.428	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	136.5	172.3	-164.9	50.2	0	0	0	111.5	V499 A512 Q527 N528	V499-D510 HydrophobicContact CB-CB 4.39Å; D510-A512 VanDerWaalsContact C-N 3.29Å; D510-A512 PolarHBondContact O-N 3.19Å; D510-Q527 WeakPolarHBondContact OD1-CA 3.39Å; D510-N528 PolarHBondContact OD1-N 3.39Å
511	G	72.9	Confident	71.2	Confident	53 Å²	53	77.8 Å²	77.8	55%	0.546	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	-1.9	-171.2	0	0	0	0	0	116	A509 C526	A509-G511 PolarHBondContact O-N 3.27Å; G511-C526 WeakPolarHBondContact CA-O 3.48Å; G511-C526 PolarHBondContact N-O 3.26Å
512	A	75.9	Confident	70.9	Confident	31 Å²	31	78.6 Å²	78.6	26%	0.256	45%	0.45	S	S	.	.			trans	-76.4	128.5	180	0	0	0	0	0	112.4	A509 D510 F514 V525 C526	A509-A512 WeakPolarHBondContact O-CB 3.4Å; A509-A512 PolarHBondContact O-N 2.97Å; D510-A512 VanDerWaalsContact C-N 3.29Å; D510-A512 PolarHBondContact O-N 3.19Å; A512-F514 WeakPolarHBondContact O-CD1 3.26Å; A512-V525 WeakPolarHBondContact O-CA 3.24Å; A512-C526 PolarHBondContact O-N 2.84Å
513	V	78.9	Confident	70.9	Confident	97 Å²	97	74.4 Å²	74.4	59%	0.588	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.2	174	-172.5	0	0	0	0	110	T523 C524 V525	V513-T523 HydrophobicContact CG1-CG2 3.46Å; V513-T523 VanDerWaalsContact CG1-CG2 3.46Å; V513-C524 CarbonylContact C-O 3.6Å; V513-C524 WeakPolarHBondContact CA-O 3.29Å; V513-V525 HydrophobicContact CG1-CG2 4.42Å; V513-V525 HydrophobicContact CG2-CG1 4.2Å; V513-V525 HydrophobicContact CG2-CG2 4.14Å
514	F	77.6	Confident	71.3	Confident	23 Å²	23	72.3 Å²	72.3	10%	0.101	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	154.9	-178	56.3	-87	0	0	0	113	F503 Y508 A512 C524 C526 V531	F503-F514 HydrophobicContact CB-CE2 3.87Å; F503-F514 HydrophobicContact CB-CZ 4.01Å; F503-F514 HydrophobicContact CD1-CD2 4.48Å; F503-F514 AromaticContact CD1-CE2 3.65Å; F503-F514 HydrophobicContact CD1-CE2 3.65Å; F503-F514 HydrophobicContact CE1-CE2 4.35Å; F503-F514 AromaticContact CG-CE2 3.82Å; F503-F514 HydrophobicContact CG-CE2 3.82Å; F503-F514 HydrophobicContact CG-CZ 4.27Å; Y508-F514 HydrophobicContact CD1-CB 4.07Å; Y508-F514 AromaticContact CD1-CD1 3.3Å; Y508-F514 HydrophobicContact CD1-CD1 3.3Å; Y508-F514 HydrophobicContact CD1-CD2 4.2Å; Y508-F514 AromaticContact CD1-CE1 3.67Å; Y508-F514 HydrophobicContact CD1-CE1 3.67Å; Y508-F514 HydrophobicContact CD1-CE2 4.5Å; Y508-F514 AromaticContact CD1-CG 3.59Å; Y508-F514 HydrophobicContact CD1-CG 3.59Å; Y508-F514 HydrophobicContact CD1-CZ 4.24Å; Y508-F514 HydrophobicContact CD2-CD1 4.22Å; Y508-F514 HydrophobicContact CD2-CD2 4.41Å; Y508-F514 AromaticContact CD2-CE1 3.79Å; Y508-F514 HydrophobicContact CD2-CE1 3.79Å; Y508-F514 AromaticContact CD2-CE2 3.99Å; Y508-F514 HydrophobicContact CD2-CE2 3.99Å; Y508-F514 AromaticContact CD2-CZ 3.64Å; Y508-F514 HydrophobicContact CD2-CZ 3.64Å; Y508-F514 HydrophobicContact CE1-CB 3.65Å; Y508-F514 AromaticContact CE1-CD1 3.68Å; Y508-F514 HydrophobicContact CE1-CD1 3.68Å; Y508-F514 AromaticContact CE1-CD2 3.77Å; Y508-F514 HydrophobicContact CE1-CD2 3.77Å; Y508-F514 HydrophobicContact CE1-CE1 4.24Å; Y508-F514 HydrophobicContact CE1-CE2 4.31Å; Y508-F514 AromaticContact CE1-CG 3.41Å; Y508-F514 HydrophobicContact CE1-CG 3.41Å; Y508-F514 VanDerWaalsContact CE1-CG 3.41Å; Y508-F514 HydrophobicContact CE2-CD2 4Å; Y508-F514 HydrophobicContact CE2-CE1 4.34Å; Y508-F514 AromaticContact CE2-CE2 3.78Å; Y508-F514 HydrophobicContact CE2-CE2 3.78Å; Y508-F514 HydrophobicContact CE2-CG 4.37Å; Y508-F514 AromaticContact CE2-CZ 3.94Å; Y508-F514 HydrophobicContact CE2-CZ 3.94Å; Y508-F514 AromaticContact CG-CD1 3.6Å; Y508-F514 HydrophobicContact CG-CD1 3.6Å; Y508-F514 HydrophobicContact CG-CD2 4.5Å; Y508-F514 AromaticContact CG-CE1 3.41Å; Y508-F514 HydrophobicContact CG-CE1 3.41Å; Y508-F514 VanDerWaalsContact CG-CE1 3.41Å; Y508-F514 HydrophobicContact CG-CE2 4.34Å; Y508-F514 HydrophobicContact CG-CG 4.15Å; Y508-F514 AromaticContact CG-CZ 3.79Å; Y508-F514 HydrophobicContact CG-CZ 3.79Å; Y508-F514 AromaticContact CZ-CD2 3.65Å; Y508-F514 AromaticContact CZ-CE2 3.95Å; Y508-F514 AromaticContact CZ-CG 3.82Å; A512-F514 WeakPolarHBondContact O-CD1 3.26Å; F514-C524 HydrophobicContact CD2-CB 3.92Å; F514-C524 HydrophobicContact CE1-CB 4.39Å; F514-C524 HydrophobicContact CE2-CB 3.56Å; F514-C524 HydrophobicContact CG-CB 4.49Å; F514-C524 HydrophobicContact CZ-CB 3.84Å; F514-C524 PolarHBondContact N-O 3.27Å; F514-C524 WeakPolarHBondContact O-CB 3.41Å; F514-C524 PolarHBondContact O-N 3.19Å; F514-C526 HydrophobicContact CE1-CB 4.24Å; F514-V531 HydrophobicContact CE1-CG1 4.44Å; F514-V531 HydrophobicContact CE2-CG1 4.13Å; F514-V531 HydrophobicContact CZ-CG1 3.54Å; F514-V531 HydrophobicContact CZ-CG2 4.17Å
515	S	73.6	Confident	72	Confident	75 Å²	75	67.2 Å²	67.2	52%	0.524	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	140	178.4	-49	0	0	0	0	112.4	G517 T522	S515-G517 PolarHBondContact O-N 3.4Å; S515-G517 VanDerWaalsContact O-N 3.14Å; S515-T522 CarbonylContact C-O 3.22Å; S515-T522 WeakPolarHBondContact CA-O 3.45Å
516	G	64.9	Low	72.6	Confident	8 Å²	8	64.7 Å²	64.7	8%	0.082	38%	0.382	C	S	.	.			trans	-73.9	98.5	-176.8	0	0	0	0	0	113.8	G518 D519 T522	G516-G518 PolarHBondContact O-N 3.49Å; G516-D519 PolarHBondContact O-N 3.36Å; G516-D519 VanDerWaalsContact O-N 3.15Å; G516-T522 PolarHBondContact N-O 2.91Å
517	G	59.3	Low	72.7	Confident	50 Å²	50	61 Å²	61	52%	0.515	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-5.8	155.2	0	0	0	0	0	118.5	S515	S515-G517 PolarHBondContact O-N 3.4Å; S515-G517 VanDerWaalsContact O-N 3.14Å
518	G	60.4	Low	72.1	Confident	72 Å²	72	59.8 Å²	59.8	74%	0.742	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	139.6	-16.8	-176.7	0	0	0	0	0	113.7	G516	G516-G518 PolarHBondContact O-N 3.49Å
519	D	59.4	Low	71.6	Confident	109 Å²	109	58.9 Å²	58.9	58%	0.583	39%	0.385	S	S	*	.			trans	-95.5	120.2	177.6	-61.3	-47.9	0	0	0	110.6	G516 C521	G516-D519 PolarHBondContact O-N 3.36Å; G516-D519 VanDerWaalsContact O-N 3.15Å; D519-C521 PolarHBondContact O-N 2.79Å; D519-C521 VanDerWaalsContact O-N 3.08Å
520	E	62.3	Low	71.1	Confident	166 Å²	166	63.1 Å²	63.1	78%	0.776	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-9	178.6	-61.4	-173.6	151.2	0	0	113.2
521	C	67.1	Low	71.3	Confident	29 Å²	29	60.9 Å²	60.9	20%	0.196	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.3	-174.7	-57.6	0	0	0	0	115.3	D519 M536 C555	D519-C521 PolarHBondContact O-N 2.79Å; D519-C521 VanDerWaalsContact O-N 3.08Å; C521-M536 PolarHBondContact O-N 2.85Å; C521-C555 WeakPolarHBondContact CA-SG 3.41Å; C521-C555 HydrophobicContact CB-CB 3.46Å; C521-C555 VanDerWaalsContact CB-CB 3.46Å; C521-C555 WeakPolarHBondContact CB-SG 3.17Å; C521-C555 WeakPolarHBondContact SG-CA 3.14Å; C521-C555 WeakPolarHBondContact SG-CB 3.39Å; C521-C555 CovalentContact SG-SG 2.03Å; C521-C555 PolarHBondContact SG-SG 3.05Å
522	T	71.2	Confident	71.5	Confident	19 Å²	19	64.1 Å²	64.1	12%	0.117	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.8	-173.9	-50.3	0	0	0	0	109	S515 G516 C533 S534 F535	S515-T522 CarbonylContact C-O 3.22Å; S515-T522 WeakPolarHBondContact CA-O 3.45Å; G516-T522 PolarHBondContact N-O 2.91Å; T522-C533 HydrophobicContact CG2-CB 4.03Å; T522-S534 CarbonylContact C-O 3.5Å; T522-S534 WeakPolarHBondContact CA-O 3.04Å; T522-F535 WeakPolarHBondContact OG1-CE1 3.34Å
523	T	75.4	Confident	71.5	Confident	46 Å²	46	65.2 Å²	65.2	28%	0.282	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.1	177.8	-61.4	0	0	0	0	109.3	V513 S534	V513-T523 HydrophobicContact CG1-CG2 3.46Å; V513-T523 VanDerWaalsContact CG1-CG2 3.46Å; T523-S534 PolarHBondContact N-O 3.36Å; T523-S534 PolarHBondContact O-N 3.22Å; T523-S534 VanDerWaalsContact O-O 3.11Å; T523-S534 PolarHBondContact O-OG 3.38Å; T523-S534 VanDerWaalsContact O-OG 3.09Å
524	C	80.7	Confident	71	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.2	-180	-55.8	0	0	0	0	110.7	V513 F514 V531 E532 C533	V513-C524 CarbonylContact C-O 3.6Å; V513-C524 WeakPolarHBondContact CA-O 3.29Å; F514-C524 HydrophobicContact CD2-CB 3.92Å; F514-C524 HydrophobicContact CE1-CB 4.39Å; F514-C524 HydrophobicContact CE2-CB 3.56Å; F514-C524 HydrophobicContact CG-CB 4.49Å; F514-C524 HydrophobicContact CZ-CB 3.84Å; F514-C524 PolarHBondContact N-O 3.27Å; F514-C524 WeakPolarHBondContact O-CB 3.41Å; F514-C524 PolarHBondContact O-N 3.19Å; C524-V531 HydrophobicContact CB-CG1 3.69Å; C524-E532 WeakPolarHBondContact CA-O 3.43Å; C524-C533 HydrophobicContact CB-CB 4.09Å; C524-C533 WeakPolarHBondContact CB-SG 3.35Å; C524-C533 WeakPolarHBondContact SG-CB 3.5Å; C524-C533 CovalentContact SG-SG 2.05Å; C524-C533 PolarHBondContact SG-SG 2.03Å
525	V	82.4	Confident	70.5	Confident	35 Å²	35	69.8 Å²	69.8	21%	0.212	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.7	173.7	-165.7	0	0	0	0	108.8	A512 V513 Q527 E532	A512-V525 WeakPolarHBondContact O-CA 3.24Å; V513-V525 HydrophobicContact CG1-CG2 4.42Å; V513-V525 HydrophobicContact CG2-CG1 4.2Å; V513-V525 HydrophobicContact CG2-CG2 4.14Å; V525-Q527 HydrophobicContact CB-CG 4.23Å; V525-Q527 HydrophobicContact CG1-CG 3.74Å; V525-Q527 PolarHBondContact O-N 3.19Å; V525-E532 PolarHBondContact N-O 3.19Å; V525-E532 PolarHBondContact O-N 2.03Å
526	C	81.1	Confident	70.1	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	114.2	166	175.9	0	0	0	0	108.6	C501 A509 G511 A512 F514	C501-C526 HydrophobicContact CB-CB 3.75Å; C501-C526 WeakPolarHBondContact CB-SG 3.31Å; C501-C526 PolarHBondContact N-SG 3.24Å; C501-C526 WeakPolarHBondContact SG-CA 3.37Å; C501-C526 WeakPolarHBondContact SG-CB 3.36Å; C501-C526 CovalentContact SG-SG 2.02Å; C501-C526 PolarHBondContact SG-SG 2.93Å; A509-C526 VanDerWaalsContact C-SG 3.55Å; A509-C526 VanDerWaalsContact O-CB 3.31Å; A509-C526 WeakPolarHBondContact O-CB 3.42Å; A509-C526 PolarHBondContact O-SG 3.46Å; G511-C526 WeakPolarHBondContact CA-O 3.48Å; G511-C526 PolarHBondContact N-O 3.26Å; A512-C526 PolarHBondContact O-N 2.84Å; F514-C526 HydrophobicContact CE1-CB 4.24Å
527	Q	76.2	Confident	69.8	Low	99 Å²	99	75.8 Å²	75.8	46%	0.463	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	122.9	176.1	-63.3	-164.5	87.7	0	0	109.8	D510 V525 G529 E530 E532	D510-Q527 WeakPolarHBondContact OD1-CA 3.39Å; V525-Q527 HydrophobicContact CB-CG 4.23Å; V525-Q527 HydrophobicContact CG1-CG 3.74Å; V525-Q527 PolarHBondContact O-N 3.19Å; Q527-G529 PolarHBondContact O-N 2.87Å; Q527-E530 PolarHBondContact N-O 2.86Å; Q527-E530 PolarHBondContact O-N 3.27Å; Q527-E532 PolarHBondContact NE2-OE2 3.08Å
528	N	65.6	Low	70.1	Confident	144 Å²	144	76.6 Å²	76.6	77%	0.77	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	23.7	178	-69.2	18.4	0	0	0	114.9	D510	D510-N528 PolarHBondContact OD1-N 3.39Å
529	G	67.2	Low	70.5	Confident	33 Å²	33	77.5 Å²	77.5	34%	0.34	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.3	-12.8	176	0	0	0	0	0	114	V499 C501 Q527	V499-G529 VanDerWaalsContact CG1-CA 3.45Å; C501-G529 WeakPolarHBondContact SG-CA 3.48Å; C501-G529 PolarHBondContact SG-O 2.9Å; Q527-G529 PolarHBondContact O-N 2.87Å
530	E	67.9	Low	70.6	Confident	157 Å²	157	80.1 Å²	80.1	73%	0.734	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	153	173.5	-169.4	155.1	-152.6	0	0	110.7	C501 Q527	C501-E530 PolarHBondContact SG-O 2.82Å; Q527-E530 PolarHBondContact N-O 2.86Å; Q527-E530 PolarHBondContact O-N 3.27Å
531	V	77.2	Confident	70.9	Confident	32 Å²	32	74.6 Å²	74.6	19%	0.194	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	103.1	178.3	-177	0	0	0	0	109.5	C501 F503 F514 C524 C533	C501-V531 HydrophobicContact CB-CG2 3.34Å; F503-V531 HydrophobicContact CB-CG2 4.2Å; F503-V531 HydrophobicContact CD2-CB 4.05Å; F503-V531 HydrophobicContact CD2-CG1 3.75Å; F503-V531 HydrophobicContact CD2-CG2 4.23Å; F503-V531 HydrophobicContact CE2-CG1 4.15Å; F503-V531 HydrophobicContact CG-CG1 4.26Å; F514-V531 HydrophobicContact CE1-CG1 4.44Å; F514-V531 HydrophobicContact CE2-CG1 4.13Å; F514-V531 HydrophobicContact CZ-CG1 3.54Å; F514-V531 HydrophobicContact CZ-CG2 4.17Å; C524-V531 HydrophobicContact CB-CG1 3.69Å; V531-C533 PolarHBondContact O-N 2.89Å
532	E	77.1	Confident	70.7	Confident	121 Å²	121	78.6 Å²	78.6	57%	0.565	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	96.7	174.2	-168	172.8	-158	0	0	109	C524 V525 Q527	C524-E532 WeakPolarHBondContact CA-O 3.43Å; V525-E532 PolarHBondContact N-O 3.19Å; V525-E532 PolarHBondContact O-N 2.03Å; Q527-E532 PolarHBondContact NE2-OE2 3.08Å
533	C	76.7	Confident	70.5	Confident	54 Å²	54	78.6 Å²	78.6	37%	0.365	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.9	173	-70.6	0	0	0	0	111	F503 T522 C524 V531	F503-C533 VanDerWaalsContact CE2-SG 3.55Å; F503-C533 VanDerWaalsContact CZ-SG 3.53Å; T522-C533 HydrophobicContact CG2-CB 4.03Å; C524-C533 HydrophobicContact CB-CB 4.09Å; C524-C533 WeakPolarHBondContact CB-SG 3.35Å; C524-C533 WeakPolarHBondContact SG-CB 3.5Å; C524-C533 CovalentContact SG-SG 2.05Å; C524-C533 PolarHBondContact SG-SG 2.03Å; V531-C533 PolarHBondContact O-N 2.89Å
534	S	68.1	Low	70.1	Confident	58 Å²	58	79.6 Å²	79.6	41%	0.406	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.6	171.9	64.8	0	0	0	0	110.5	T522 T523	T522-S534 CarbonylContact C-O 3.5Å; T522-S534 WeakPolarHBondContact CA-O 3.04Å; T523-S534 PolarHBondContact N-O 3.36Å; T523-S534 PolarHBondContact O-N 3.22Å; T523-S534 VanDerWaalsContact O-O 3.11Å; T523-S534 PolarHBondContact O-OG 3.38Å; T523-S534 VanDerWaalsContact O-OG 3.09Å
535	F	67.3	Low	69	Low	159 Å²	159	88.6 Å²	88.6	70%	0.697	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	140.9	162.8	-70.4	-79.9	0	0	0	108.8	T522 P537	T522-F535 WeakPolarHBondContact OG1-CE1 3.34Å; F535-P537 VanDerWaalsContact O-N 3.14Å
536	M	64.8	Low	67.9	Low	90 Å²	90	94.8 Å²	94.8	44%	0.443	51%	0.514	S	S	.	.			trans	-55.4	120.5	177.6	179.1	163	53.7	0	0	109.6	C521 C538 C555	C521-M536 PolarHBondContact O-N 2.85Å; M536-C538 PolarHBondContact O-N 3.27Å; M536-C538 VanDerWaalsContact O-N 3.09Å; M536-C555 HydrophobicContact CE-CB 4.21Å
537	P	59	Low	66.8	Low	118 Å²	118	99.2 Å²	99.2	77%	0.766	54%	0.535	S	S	*	.			trans	-68.8	112.7	-166.8	25.1	-34.3	0	0	0	111.1	F535	F535-P537 VanDerWaalsContact O-N 3.14Å
538	C	65.8	Low	66.6	Low	67 Å²	67	99.1 Å²	99.1	45%	0.453	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-68	146.1	-178.8	-59.4	0	0	0	0	112.2	M536 C556	M536-C538 PolarHBondContact O-N 3.27Å; M536-C538 VanDerWaalsContact O-N 3.09Å; C538-C556 WeakPolarHBondContact CA-SG 3.2Å; C538-C556 HydrophobicContact CB-CB 3.7Å; C538-C556 WeakPolarHBondContact CB-SG 3.04Å; C538-C556 WeakPolarHBondContact SG-CA 3.45Å; C538-C556 WeakPolarHBondContact SG-CB 3.38Å; C538-C556 CovalentContact SG-SG 2.04Å; C538-C556 PolarHBondContact SG-SG 3.37Å
539	P	68.2	Low	66.4	Low	91 Å²	91	98.6 Å²	98.6	59%	0.591	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-64.4	146.2	170	29.4	-34.7	0	0	0	110.3	L541	P539-L541 PolarHBondContact O-N 2.66Å
540	E	62.4	Low	66.3	Low	164 Å²	164	101.3 Å²	101.3	77%	0.766	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-67.6	116.3	173.9	-67.3	162.4	139.4	0	0	108.9	R927	E540-R927 IonicContact OE2-CZ 2.72Å; E540-R927 IonicContact OE2-NH2 2.96Å; E540-R927 PolarHBondContact OE2-NH2 2.96Å
541	L	67.8	Low	65.9	Low	51 Å²	51	94.9 Å²	94.9	27%	0.267	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-82.9	131.5	177.3	-60.7	-179.1	0	0	0	110.1	P539 W548 F557	P539-L541 PolarHBondContact O-N 2.66Å; L541-W548 HydrophobicContact CD1-CD2 4.27Å; L541-W548 HydrophobicContact CD1-CG 4.19Å; L541-F557 HydrophobicContact CD1-CB 3.77Å
542	A	63.4	Low	64.6	Low	113 Å²	113	100.2 Å²	100.2	93%	0.934	54%	0.535	S	S	*	.			trans	-86.5	-3.8	177.2	0	0	0	0	0	114
543	C	66.3	Low	63.8	Low	18 Å²	18	98.1 Å²	98.1	12%	0.122	55%	0.546	C	S	.	.	S	Bend	trans	-85.7	148.8	176.3	55.6	0	0	0	0	112.1	E547 W548 C559	C543-E547 HydrophobicContact CB-CB 4.45Å; C543-E547 WeakPolarHBondContact CB-OE2 3.06Å; C543-W548 PolarHBondContact O-NE1 2.6Å; C543-C559 HydrophobicContact CB-CB 3.8Å; C543-C559 WeakPolarHBondContact CB-SG 3.28Å; C543-C559 VanDerWaalsContact SG-CA 3.5Å; C543-C559 WeakPolarHBondContact SG-CB 3.07Å; C543-C559 CovalentContact SG-SG 2.04Å; C543-C559 PolarHBondContact SG-SG 2.98Å
544	P	67	Low	63.4	Low	67 Å²	67	100.1 Å²	100.1	44%	0.435	55%	0.55	S	S	.	*			trans	-60.2	154.7	176.2	26.8	-35.2	0	0	0	112	E546 E547 W548	P544-E546 PolarHBondContact O-N 3.34Å; P544-E546 VanDerWaalsContact O-N 3.11Å; P544-E547 HydrophobicContact CG-CG 4.04Å; P544-E547 WeakPolarHBondContact CG-OE1 3Å; P544-E547 PolarHBondContact O-N 3.48Å; P544-W548 PolarHBondContact O-NE1 2.99Å
545	R	58.5	Low	63.5	Low	189 Å²	189	99.6 Å²	99.6	71%	0.713	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-64.3	-22.8	-168.1	-178.4	173.4	165.7	154.5	-1.9	113.4	E547 W548	R545-E547 VanDerWaalsContact C-N 3.28Å; R545-E547 PolarHBondContact O-N 2.95Å; R545-W548 HydrophobicContact CG-CD2 4.32Å; R545-W548 HydrophobicContact CG-CE3 4.28Å; R545-W548 HydrophobicContact CG-CZ3 4.47Å; R545-W548 WeakPolarHBondContact O-CB 3.4Å
546	E	58.9	Low	63.8	Low	166 Å²	166	93.1 Å²	93.1	78%	0.776	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-72.2	-21.2	179.4	-65.9	61	-136.9	0	0	112.3	P544	P544-E546 PolarHBondContact O-N 3.34Å; P544-E546 VanDerWaalsContact O-N 3.11Å
547	E	57.5	Low	64.2	Low	93 Å²	93	93.3 Å²	93.3	44%	0.435	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-95.9	-2.7	179.8	-65.4	173.9	-169.2	0	0	113.6	C543 P544 R545 R549 Q560	C543-E547 HydrophobicContact CB-CB 4.45Å; C543-E547 WeakPolarHBondContact CB-OE2 3.06Å; P544-E547 HydrophobicContact CG-CG 4.04Å; P544-E547 WeakPolarHBondContact CG-OE1 3Å; P544-E547 PolarHBondContact O-N 3.48Å; R545-E547 VanDerWaalsContact C-N 3.28Å; R545-E547 PolarHBondContact O-N 2.95Å; E547-R549 PolarHBondContact O-N 2.96Å; E547-Q560 PolarHBondContact O-N 3.43Å
548	W	71.6	Confident	64.8	Low	96 Å²	96	90.7 Å²	90.7	36%	0.364	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	114.3	-176	-69.5	13.7	0	0	0	111	L541 C543 P544 R545 F557	L541-W548 HydrophobicContact CD1-CD2 4.27Å; L541-W548 HydrophobicContact CD1-CG 4.19Å; C543-W548 PolarHBondContact O-NE1 2.6Å; P544-W548 PolarHBondContact O-NE1 2.99Å; R545-W548 HydrophobicContact CG-CD2 4.32Å; R545-W548 HydrophobicContact CG-CE3 4.28Å; R545-W548 HydrophobicContact CG-CZ3 4.47Å; R545-W548 WeakPolarHBondContact O-CB 3.4Å; W548-F557 HydrophobicContact CB-CB 4.1Å; W548-F557 HydrophobicContact CB-CD1 3.87Å; W548-F557 HydrophobicContact CB-CG 4.15Å; W548-F557 HydrophobicContact CD2-CB 4.45Å; W548-F557 HydrophobicContact CE3-CB 4.33Å; W548-F557 HydrophobicContact CE3-CD1 4.45Å; W548-F557 AromaticContact CE3-CD2 3.97Å; W548-F557 HydrophobicContact CE3-CD2 3.97Å; W548-F557 HydrophobicContact CE3-CE2 4.43Å; W548-F557 AromaticContact CE3-CG 3.99Å; W548-F557 HydrophobicContact CE3-CG 3.99Å; W548-F557 HydrophobicContact CG-CB 4.38Å; W548-F557 HydrophobicContact CZ3-CD2 4.43Å
549	R	62	Low	65	Low	133 Å²	133	89.8 Å²	89.8	50%	0.502	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.3	176	-56.4	-164.5	-54.1	-166.1	5.8	111.2	E547 T558 Q560	E547-R549 PolarHBondContact O-N 2.96Å; R549-T558 PolarHBondContact N-O 2.95Å; R549-T558 PolarHBondContact O-N 3.11Å; R549-T558 PolarHBondContact O-OG1 2.79Å; R549-Q560 VanDerWaalsContact CZ-OE1 3.31Å
550	L	65.3	Low	64.8	Low	90 Å²	90	89.6 Å²	89.6	47%	0.471	49%	0.486	S	S	.	.			trans	-111.5	115.7	175.9	-164.1	73	0	0	0	108.4	Q554 C556 F557	L550-Q554 HydrophobicContact CD1-CB 4.46Å; L550-Q554 WeakPolarHBondContact CD1-O 3.45Å; L550-C556 WeakPolarHBondContact CD1-O 3.47Å; L550-F557 HydrophobicContact CB-CD1 3.89Å; L550-F557 HydrophobicContact CB-CE1 3.9Å; L550-F557 HydrophobicContact CD1-CD1 4.21Å; L550-F557 HydrophobicContact CD1-CE1 4.45Å; L550-F557 HydrophobicContact CD1-CG 4.29Å
551	G	59.5	Low	64.3	Low	22 Å²	22	90 Å²	90	23%	0.227	49%	0.487	C	S	.	.			trans	-71.2	151.1	173.4	0	0	0	0	0	111.8	G553 Q554	G551-G553 PolarHBondContact O-N 3.18Å; G551-G553 VanDerWaalsContact O-N 3.16Å; G551-Q554 VanDerWaalsContact CA-OE1 3.3Å; G551-Q554 WeakPolarHBondContact O-CB 3.32Å; G551-Q554 PolarHBondContact O-N 2.95Å
552	P	49.6	Very low	63.1	Low	144 Å²	144	93.1 Å²	93.1	94%	0.935	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	120	172.8	26.5	-33.4	0	0	0	109.7
553	G	60.4	Low	62.2	Low	78 Å²	78	93.1 Å²	93.1	80%	0.804	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	6.8	-173.9	0	0	0	0	0	115.3	G551	G551-G553 PolarHBondContact O-N 3.18Å; G551-G553 VanDerWaalsContact O-N 3.16Å
554	Q	68.2	Low	61	Low	96 Å²	96	98.2 Å²	98.2	45%	0.449	53%	0.532	S	S	.	.			trans	-97.8	138.4	172.2	-69.3	-178.4	-35.8	0	0	111.9	L550 G551	L550-Q554 HydrophobicContact CD1-CB 4.46Å; L550-Q554 WeakPolarHBondContact CD1-O 3.45Å; G551-Q554 VanDerWaalsContact CA-OE1 3.3Å; G551-Q554 WeakPolarHBondContact O-CB 3.32Å; G551-Q554 PolarHBondContact O-N 2.95Å
555	C	69.5	Low	59.9	Low	46 Å²	46	97.9 Å²	97.9	31%	0.311	54%	0.536	S	S	.	.	S	Bend	trans	-86.4	-20.9	-176.3	-52.4	0	0	0	0	114.2	C521 M536	C521-C555 WeakPolarHBondContact CA-SG 3.41Å; C521-C555 HydrophobicContact CB-CB 3.46Å; C521-C555 VanDerWaalsContact CB-CB 3.46Å; C521-C555 WeakPolarHBondContact CB-SG 3.17Å; C521-C555 WeakPolarHBondContact SG-CA 3.14Å; C521-C555 WeakPolarHBondContact SG-CB 3.39Å; C521-C555 CovalentContact SG-SG 2.03Å; C521-C555 PolarHBondContact SG-SG 3.05Å; M536-C555 HydrophobicContact CE-CB 4.21Å
556	C	74.4	Confident	59.6	Low	24 Å²	24	94 Å²	94	16%	0.162	53%	0.533	C	S	.	.	S	Bend	trans	-131.2	141.5	-174.3	-67	0	0	0	0	109.5	C538 L550	C538-C556 WeakPolarHBondContact CA-SG 3.2Å; C538-C556 HydrophobicContact CB-CB 3.7Å; C538-C556 WeakPolarHBondContact CB-SG 3.04Å; C538-C556 WeakPolarHBondContact SG-CA 3.45Å; C538-C556 WeakPolarHBondContact SG-CB 3.38Å; C538-C556 CovalentContact SG-SG 2.04Å; C538-C556 PolarHBondContact SG-SG 3.37Å; L550-C556 WeakPolarHBondContact CD1-O 3.47Å
557	F	73.4	Confident	59.6	Low	94 Å²	94	86.7 Å²	86.7	41%	0.412	50%	0.502	S	S	.	.			trans	-59.5	153.1	171.2	-63.9	-84.7	0	0	0	110.6	L541 W548 L550	L541-F557 HydrophobicContact CD1-CB 3.77Å; W548-F557 HydrophobicContact CB-CB 4.1Å; W548-F557 HydrophobicContact CB-CD1 3.87Å; W548-F557 HydrophobicContact CB-CG 4.15Å; W548-F557 HydrophobicContact CD2-CB 4.45Å; W548-F557 HydrophobicContact CE3-CB 4.33Å; W548-F557 HydrophobicContact CE3-CD1 4.45Å; W548-F557 AromaticContact CE3-CD2 3.97Å; W548-F557 HydrophobicContact CE3-CD2 3.97Å; W548-F557 HydrophobicContact CE3-CE2 4.43Å; W548-F557 AromaticContact CE3-CG 3.99Å; W548-F557 HydrophobicContact CE3-CG 3.99Å; W548-F557 HydrophobicContact CG-CB 4.38Å; W548-F557 HydrophobicContact CZ3-CD2 4.43Å; L550-F557 HydrophobicContact CB-CD1 3.89Å; L550-F557 HydrophobicContact CB-CE1 3.9Å; L550-F557 HydrophobicContact CD1-CD1 4.21Å; L550-F557 HydrophobicContact CD1-CE1 4.45Å; L550-F557 HydrophobicContact CD1-CG 4.29Å
558	T	71.5	Confident	60.1	Low	62 Å²	62	82.3 Å²	82.3	38%	0.38	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.9	171.1	53.8	0	0	0	0	108.8	R549	R549-T558 PolarHBondContact N-O 2.95Å; R549-T558 PolarHBondContact O-N 3.11Å; R549-T558 PolarHBondContact O-OG1 2.79Å
559	C	68.9	Low	59.5	Low	49 Å²	49	81.5 Å²	81.5	33%	0.331	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.7	168.8	-55.8	0	0	0	0	109	C543 E561	C543-C559 HydrophobicContact CB-CB 3.8Å; C543-C559 WeakPolarHBondContact CB-SG 3.28Å; C543-C559 VanDerWaalsContact SG-CA 3.5Å; C543-C559 WeakPolarHBondContact SG-CB 3.07Å; C543-C559 CovalentContact SG-SG 2.04Å; C543-C559 PolarHBondContact SG-SG 2.98Å; C559-E561 PolarHBondContact O-N 3.3Å
560	Q	65.5	Low	59.7	Low	87 Å²	87	78.2 Å²	78.2	41%	0.407	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-61.5	118.3	169.5	168.6	163	-34.6	0	0	110	E547 R549	E547-Q560 PolarHBondContact O-N 3.43Å; R549-Q560 VanDerWaalsContact CZ-OE1 3.31Å
561	E	51.1	Low	59	Low	171 Å²	171	80.3 Å²	80.3	80%	0.799	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-57.1	130.8	170.9	-74.7	-175.2	131.1	0	0	109.9	C559 T563	C559-E561 PolarHBondContact O-N 3.3Å; E561-T563 PolarHBondContact O-N 3.33Å
562	P	43.2	Very low	58.4	Low	117 Å²	117	87.4 Å²	87.4	76%	0.76	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-72.8	124	-173.9	27.5	-33.9	0	0	0	111.1
563	T	43.1	Very low	58.6	Low	114 Å²	114	88 Å²	88	70%	0.699	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-58.9	134.8	150.3	44.7	0	0	0	0	108.1	E561 A565	E561-T563 PolarHBondContact O-N 3.33Å; T563-A565 PolarHBondContact O-N 2.89Å
564	P	41.7	Very low	58.3	Low	124 Å²	124	87.2 Å²	87.2	81%	0.805	51%	0.514	S	S	*	.			trans	-63.8	110.1	-175.3	25.6	-34.2	0	0	0	110.7	T566	P564-T566 PolarHBondContact O-N 2.82Å
565	A	44.6	Very low	57.9	Low	61 Å²	61	86.5 Å²	86.5	50%	0.504	52%	0.516	S	S	.	.			trans	-65	129.3	170.1	0	0	0	0	0	109.1	T563 G567	T563-A565 PolarHBondContact O-N 2.89Å; A565-G567 PolarHBondContact O-N 3.32Å
566	T	51.3	Low	57.4	Low	108 Å²	108	89.6 Å²	89.6	66%	0.663	53%	0.526	S	S	*	.			trans	-76.9	-7.9	-174	30.1	0	0	0	0	114.3	P564 E576	P564-T566 PolarHBondContact O-N 2.82Å; T566-E576 VanDerWaalsContact CB-OE2 3.29Å; T566-E576 WeakPolarHBondContact CB-OE2 3.47Å; T566-E576 PolarHBondContact OG1-OE2 3.4Å
567	G	60.2	Low	57.1	Low	12 Å²	12	90.1 Å²	90.1	12%	0.124	53%	0.526	C	S	.	.			trans	172.2	-172.3	173.8	0	0	0	0	0	112.2	A565 F577	A565-G567 PolarHBondContact O-N 3.32Å; G567-F577 CarbonylContact C-O 3.27Å; G567-F577 WeakPolarHBondContact CA-O 3.25Å
568	C	66.3	Low	56.9	Low	1 Å²	1	88.9 Å²	88.9	1%	0.007	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143	169.7	-52.2	0	0	0	0	109.1	F577 W583 C594 G598 S599 V600	C568-F577 PolarHBondContact N-O 2.88Å; C568-F577 PolarHBondContact O-N 3.4Å; C568-W583 HydrophobicContact CB-CH2 4.45Å; C568-C594 HydrophobicContact CB-CB 3.69Å; C568-C594 WeakPolarHBondContact CB-SG 3.44Å; C568-C594 PolarHBondContact N-SG 3.36Å; C568-C594 WeakPolarHBondContact SG-CA 3.33Å; C568-C594 WeakPolarHBondContact SG-CB 3.49Å; C568-C594 CovalentContact SG-SG 2.03Å; C568-C594 PolarHBondContact SG-SG 2.93Å; C568-G598 WeakPolarHBondContact CB-O 3.49Å; C568-G598 VanDerWaalsContact SG-CA 3.54Å; C568-G598 PolarHBondContact SG-O 2.93Å; C568-S599 PolarHBondContact SG-O 2.84Å; C568-V600 HydrophobicContact CB-CG2 3.74Å
569	S	60.5	Low	56.7	Low	78 Å²	78	90 Å²	90	55%	0.545	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148.8	175.9	50.6	0	0	0	0	111.5
570	L	64.6	Low	56.6	Low	65 Å²	65	90.1 Å²	90.1	34%	0.34	54%	0.539	S	S	.	.			trans	-119.2	81.1	171.8	-88.9	-179.9	0	0	0	109.3	W583 P585 V600	L570-W583 HydrophobicContact CD1-CZ2 3.78Å; L570-W583 HydrophobicContact CG-CZ2 4.18Å; L570-P585 HydrophobicContact CD1-CB 4.02Å; L570-V600 HydrophobicContact CD2-CB 4.42Å; L570-V600 HydrophobicContact CD2-CG1 4.13Å; L570-V600 HydrophobicContact CD2-CG2 4.14Å; L570-V600 HydrophobicContact CG-CG1 4.37Å; L570-V600 HydrophobicContact CG-CG2 4.14Å
571	D	51.1	Low	56.8	Low	134 Å²	134	89.9 Å²	89.9	72%	0.717	54%	0.538	S	S	*	.	S	Bend	trans	63.1	-179.2	174.8	-50.6	-29.6	0	0	0	116.1	N573 G574	D571-N573 PolarHBondContact O-N 3.34Å; D571-G574 PolarHBondContact O-N 2.88Å
572	D	47.9	Very low	58	Low	171 Å²	171	86 Å²	86	91%	0.914	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-2.1	-155.4	-66.8	-44.8	0	0	0	117.8	G574	D572-G574 VanDerWaalsContact C-N 3.33Å
573	N	52.4	Low	59.4	Low	155 Å²	155	81.8 Å²	81.8	83%	0.829	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	1.1	177.7	-69.7	-66.1	0	0	0	114.1	D571 V575	D571-N573 PolarHBondContact O-N 3.34Å; N573-V575 PolarHBondContact O-N 3.42Å
574	G	54.8	Low	60.8	Low	62 Å²	62	79 Å²	79	64%	0.639	48%	0.476	S	S	*	.			trans	71.1	28.3	163.2	0	0	0	0	0	115.9	D571 D572 E576	D571-G574 PolarHBondContact O-N 2.88Å; D572-G574 VanDerWaalsContact C-N 3.33Å; G574-E576 PolarHBondContact O-N 2.02Å
575	V	59.3	Low	61.8	Low	82 Å²	82	76 Å²	76	50%	0.497	46%	0.456	S	S	.	.			trans	-88.2	104.2	172.7	-175.9	0	0	0	0	109.2	N573 F577	N573-V575 PolarHBondContact O-N 3.42Å; V575-F577 HydrophobicContact CB-CE2 4.24Å; V575-F577 HydrophobicContact CG1-CD2 4.21Å; V575-F577 HydrophobicContact CG1-CE1 4.3Å; V575-F577 HydrophobicContact CG1-CE2 3.64Å; V575-F577 HydrophobicContact CG1-CZ 3.7Å
576	E	60.8	Low	62.7	Low	111 Å²	111	76.6 Å²	76.6	52%	0.519	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.8	171	-71	179.6	-147.5	0	0	110.7	T566 G574	T566-E576 VanDerWaalsContact CB-OE2 3.29Å; T566-E576 WeakPolarHBondContact CB-OE2 3.47Å; T566-E576 PolarHBondContact OG1-OE2 3.4Å; G574-E576 PolarHBondContact O-N 2.02Å
577	F	66.6	Low	63.3	Low	35 Å²	35	73.6 Å²	73.6	15%	0.154	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.6	172.4	-67.1	-86.3	0	0	0	109.6	G567 C568 V575 Q581 W583 C594	G567-F577 CarbonylContact C-O 3.27Å; G567-F577 WeakPolarHBondContact CA-O 3.25Å; C568-F577 PolarHBondContact N-O 2.88Å; C568-F577 PolarHBondContact O-N 3.4Å; V575-F577 HydrophobicContact CB-CE2 4.24Å; V575-F577 HydrophobicContact CG1-CD2 4.21Å; V575-F577 HydrophobicContact CG1-CE1 4.3Å; V575-F577 HydrophobicContact CG1-CE2 3.64Å; V575-F577 HydrophobicContact CG1-CZ 3.7Å; F577-Q581 HydrophobicContact CD1-CG 4.33Å; F577-W583 HydrophobicContact CB-CE3 3.85Å; F577-W583 HydrophobicContact CB-CH2 3.88Å; F577-W583 HydrophobicContact CB-CZ3 3.48Å; F577-W583 VanDerWaalsContact CB-CZ3 3.48Å; F577-W583 HydrophobicContact CD1-CB 4.39Å; F577-W583 AromaticContact CD1-CD2 3.75Å; F577-W583 HydrophobicContact CD1-CD2 3.75Å; F577-W583 AromaticContact CD1-CE3 3.6Å; F577-W583 HydrophobicContact CD1-CE3 3.6Å; F577-W583 HydrophobicContact CD1-CG 4.09Å; F577-W583 HydrophobicContact CD1-CZ3 4.16Å; F577-W583 HydrophobicContact CD2-CD2 4.09Å; F577-W583 AromaticContact CD2-CE2 3.91Å; F577-W583 HydrophobicContact CD2-CE3 4.24Å; F577-W583 HydrophobicContact CD2-CH2 4.1Å; F577-W583 AromaticContact CD2-CZ2 3.92Å; F577-W583 HydrophobicContact CD2-CZ2 3.92Å; F577-W583 HydrophobicContact CD2-CZ3 4.25Å; F577-W583 HydrophobicContact CE1-CB 3.92Å; F577-W583 AromaticContact CE1-CD2 3.86Å; F577-W583 HydrophobicContact CE1-CD2 3.86Å; F577-W583 HydrophobicContact CE1-CE3 4.18Å; F577-W583 AromaticContact CE1-CG 3.72Å; F577-W583 HydrophobicContact CE1-CG 3.72Å; F577-W583 HydrophobicContact CE2-CD2 4.18Å; F577-W583 AromaticContact CE2-CE2 3.96Å; F577-W583 HydrophobicContact CE2-CG 4.41Å; F577-W583 HydrophobicContact CE2-CZ2 4.33Å; F577-W583 AromaticContact CG-CD2 3.87Å; F577-W583 HydrophobicContact CG-CD2 3.87Å; F577-W583 AromaticContact CG-CE3 3.63Å; F577-W583 HydrophobicContact CG-CE3 3.63Å; F577-W583 HydrophobicContact CG-CH2 4.02Å; F577-W583 HydrophobicContact CG-CZ2 4.22Å; F577-W583 AromaticContact CG-CZ3 3.72Å; F577-W583 HydrophobicContact CG-CZ3 3.72Å; F577-W583 HydrophobicContact CZ-CB 4.44Å; F577-W583 AromaticContact CZ-CD1 3.94Å; F577-W583 HydrophobicContact CZ-CD2 4.07Å; F577-W583 AromaticContact CZ-CG 3.89Å; F577-W583 HydrophobicContact CZ-CG 3.89Å; F577-C594 HydrophobicContact CB-CB 4.49Å; F577-C594 PolarHBondContact O-SG 3.19Å
578	P	70.1	Confident	63.5	Low	67 Å²	67	75.7 Å²	75.7	44%	0.435	46%	0.46	S	S	.	.			trans	-54.9	149.8	177.4	18.2	-32.7	0	0	0	113.8	G580 Q581	P578-G580 PolarHBondContact O-N 2.85Å; P578-Q581 VanDerWaalsContact CD-OE1 3.25Å; P578-Q581 HydrophobicContact CG-CB 4.37Å; P578-Q581 WeakPolarHBondContact O-CB 3.48Å; P578-Q581 PolarHBondContact O-N 3.19Å
579	I	67.1	Low	63.6	Low	87 Å²	87	76.4 Å²	76.4	45%	0.446	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	129.4	-179.7	-66.9	168.2	0	0	0	111.2	Q581 A596	I579-Q581 VanDerWaalsContact C-N 3.32Å; I579-A596 HydrophobicContact CG2-CB 3.9Å
580	G	67.4	Low	64.2	Low	51 Å²	51	75.9 Å²	75.9	53%	0.526	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-4.6	-175.3	0	0	0	0	0	115.1	P578 C594	P578-G580 PolarHBondContact O-N 2.85Å; G580-C594 PolarHBondContact N-O 3.07Å
581	Q	69.8	Low	64.9	Low	82 Å²	82	76.5 Å²	76.5	38%	0.383	46%	0.457	S	S	.	.			trans	-69.5	145.4	169.9	-174.6	166.6	-10.8	0	0	110.9	F577 P578 I579 W583 I593 C594	F577-Q581 HydrophobicContact CD1-CG 4.33Å; P578-Q581 VanDerWaalsContact CD-OE1 3.25Å; P578-Q581 HydrophobicContact CG-CB 4.37Å; P578-Q581 WeakPolarHBondContact O-CB 3.48Å; P578-Q581 PolarHBondContact O-N 3.19Å; I579-Q581 VanDerWaalsContact C-N 3.32Å; Q581-W583 HydrophobicContact CG-CE3 4.47Å; Q581-W583 WeakPolarHBondContact O-CZ3 3.49Å; Q581-I593 WeakPolarHBondContact O-CA 3.14Å; Q581-C594 PolarHBondContact O-N 3.04Å
582	I	76.3	Confident	66.3	Low	89 Å²	89	70.1 Å²	70.1	46%	0.456	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.8	177.9	-47.8	-174	0	0	0	108.9	L591 C592 I593	I582-L591 HydrophobicContact CG2-CD1 3.48Å; I582-L591 VanDerWaalsContact CG2-CD1 3.48Å; I582-L591 HydrophobicContact CG2-CD2 3.97Å; I582-L591 HydrophobicContact CG2-CG 3.53Å; I582-C592 CarbonylContact C-O 3.24Å; I582-C592 VanDerWaalsContact CA-O 3.31Å; I582-C592 WeakPolarHBondContact CA-O 3.44Å; I582-I593 HydrophobicContact CB-CG1 4.49Å; I582-I593 HydrophobicContact CD1-CD1 4.01Å; I582-I593 HydrophobicContact CD1-CG1 4.32Å; I582-I593 HydrophobicContact CG1-CD1 4.18Å; I582-I593 HydrophobicContact CG1-CG1 3.98Å; I582-I593 HydrophobicContact CG1-CG2 4.38Å; I582-I593 HydrophobicContact CG2-CG1 4.16Å
583	W	71.7	Confident	67.9	Low	28 Å²	28	65.1 Å²	65.1	11%	0.106	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	175.1	175.6	69.3	93.5	0	0	0	111.8	C568 L570 F577 Q581 C592 C594 V600	C568-W583 HydrophobicContact CB-CH2 4.45Å; L570-W583 HydrophobicContact CD1-CZ2 3.78Å; L570-W583 HydrophobicContact CG-CZ2 4.18Å; F577-W583 HydrophobicContact CB-CE3 3.85Å; F577-W583 HydrophobicContact CB-CH2 3.88Å; F577-W583 HydrophobicContact CB-CZ3 3.48Å; F577-W583 VanDerWaalsContact CB-CZ3 3.48Å; F577-W583 HydrophobicContact CD1-CB 4.39Å; F577-W583 AromaticContact CD1-CD2 3.75Å; F577-W583 HydrophobicContact CD1-CD2 3.75Å; F577-W583 AromaticContact CD1-CE3 3.6Å; F577-W583 HydrophobicContact CD1-CE3 3.6Å; F577-W583 HydrophobicContact CD1-CG 4.09Å; F577-W583 HydrophobicContact CD1-CZ3 4.16Å; F577-W583 HydrophobicContact CD2-CD2 4.09Å; F577-W583 AromaticContact CD2-CE2 3.91Å; F577-W583 HydrophobicContact CD2-CE3 4.24Å; F577-W583 HydrophobicContact CD2-CH2 4.1Å; F577-W583 AromaticContact CD2-CZ2 3.92Å; F577-W583 HydrophobicContact CD2-CZ2 3.92Å; F577-W583 HydrophobicContact CD2-CZ3 4.25Å; F577-W583 HydrophobicContact CE1-CB 3.92Å; F577-W583 AromaticContact CE1-CD2 3.86Å; F577-W583 HydrophobicContact CE1-CD2 3.86Å; F577-W583 HydrophobicContact CE1-CE3 4.18Å; F577-W583 AromaticContact CE1-CG 3.72Å; F577-W583 HydrophobicContact CE1-CG 3.72Å; F577-W583 HydrophobicContact CE2-CD2 4.18Å; F577-W583 AromaticContact CE2-CE2 3.96Å; F577-W583 HydrophobicContact CE2-CG 4.41Å; F577-W583 HydrophobicContact CE2-CZ2 4.33Å; F577-W583 AromaticContact CG-CD2 3.87Å; F577-W583 HydrophobicContact CG-CD2 3.87Å; F577-W583 AromaticContact CG-CE3 3.63Å; F577-W583 HydrophobicContact CG-CE3 3.63Å; F577-W583 HydrophobicContact CG-CH2 4.02Å; F577-W583 HydrophobicContact CG-CZ2 4.22Å; F577-W583 AromaticContact CG-CZ3 3.72Å; F577-W583 HydrophobicContact CG-CZ3 3.72Å; F577-W583 HydrophobicContact CZ-CB 4.44Å; F577-W583 AromaticContact CZ-CD1 3.94Å; F577-W583 HydrophobicContact CZ-CD2 4.07Å; F577-W583 AromaticContact CZ-CG 3.89Å; F577-W583 HydrophobicContact CZ-CG 3.89Å; Q581-W583 HydrophobicContact CG-CE3 4.47Å; Q581-W583 WeakPolarHBondContact O-CZ3 3.49Å; W583-C592 HydrophobicContact CD2-CB 4.24Å; W583-C592 HydrophobicContact CH2-CB 4.48Å; W583-C592 HydrophobicContact CZ2-CB 3.86Å; W583-C592 PolarHBondContact N-O 2.98Å; W583-C592 PolarHBondContact O-N 3.2Å; W583-C594 HydrophobicContact CH2-CB 3.87Å; W583-C594 HydrophobicContact CZ3-CB 3.66Å; W583-C594 VanDerWaalsContact CZ3-N 3.29Å; W583-V600 HydrophobicContact CH2-CG1 4.02Å; W583-V600 HydrophobicContact CH2-CG2 4.15Å; W583-V600 HydrophobicContact CZ2-CB 4.42Å; W583-V600 HydrophobicContact CZ2-CG1 3.55Å; W583-V600 HydrophobicContact CZ2-CG2 4.02Å
584	S	71.7	Confident	69.2	Low	56 Å²	56	57.8 Å²	57.8	39%	0.392	36%	0.356	S	S	.	.			trans	-121.6	121.9	174.7	-66	0	0	0	0	110.4	G586 E590	S584-G586 PolarHBondContact O-N 3.46Å; S584-E590 WeakPolarHBondContact CA-O 3.03Å; S584-E590 VanDerWaalsContact CB-O 3.31Å; S584-E590 WeakPolarHBondContact CB-O 3.41Å; S584-E590 PolarHBondContact OG-O 2.94Å
585	P	64.1	Low	70.2	Confident	60 Å²	60	59 Å²	59	39%	0.39	35%	0.346	S	S	.	.	S	Bend	trans	-81.3	45.5	-174.1	36.2	-38.7	0	0	0	112.8	L570 E590 C592	L570-P585 HydrophobicContact CD1-CB 4.02Å; P585-E590 HydrophobicContact CG-CB 4.35Å; P585-E590 HydrophobicContact CG-CG 4.1Å; P585-C592 VanDerWaalsContact CD-SG 3.56Å
586	G	62.5	Low	70.5	Confident	74 Å²	74	59.2 Å²	59.2	76%	0.763	36%	0.356	S	S	*	.	S	Bend	trans	95.7	-29.3	178.7	0	0	0	0	0	115.4	S584	S584-G586 PolarHBondContact O-N 3.46Å
587	D	63.5	Low	70.6	Confident	45 Å²	45	59.4 Å²	59.4	24%	0.241	36%	0.361	C	S	.	.			trans	-86	118.3	164.1	-176.7	-5.1	0	0	0	109.2	C589 E590 R604	D587-C589 PolarHBondContact O-N 3.02Å; D587-C589 WeakPolarHBondContact OD1-CB 3.04Å; D587-C589 PolarHBondContact OD1-N 3.48Å; D587-E590 HydrophobicContact CB-CB 4.08Å; D587-E590 PolarHBondContact O-N 3.15Å; D587-E590 VanDerWaalsContact O-N 3.12Å; D587-R604 IonicContact OD2-CZ 2.79Å; D587-R604 IonicContact OD2-NE 3.99Å; D587-R604 PolarHBondContact OD2-NE 3.5Å; D587-R604 IonicContact OD2-NH2 3.91Å; D587-R604 PolarHBondContact OD2-NH2 2.04Å
588	P	65.4	Low	70.5	Confident	57 Å²	57	59 Å²	59	37%	0.37	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16	176.8	29.4	-36.7	0	0	0	113.5	Q620 C621	P588-Q620 WeakPolarHBondContact CG-O 3.22Å; P588-C621 WeakPolarHBondContact O-CB 3.23Å
589	C	67.8	Low	70.2	Confident	16 Å²	16	58 Å²	58	11%	0.108	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.8	173.2	-77.5	0	0	0	0	115.1	D587 R604 T605 C621	D587-C589 PolarHBondContact O-N 3.02Å; D587-C589 WeakPolarHBondContact OD1-CB 3.04Å; D587-C589 PolarHBondContact OD1-N 3.48Å; C589-R604 HydrophobicContact CB-CG 4.41Å; C589-R604 WeakPolarHBondContact O-CA 3.03Å; C589-R604 WeakPolarHBondContact O-CG 3.44Å; C589-T605 PolarHBondContact O-N 3.45Å; C589-C621 WeakPolarHBondContact CA-SG 3.34Å; C589-C621 HydrophobicContact CB-CB 3.88Å; C589-C621 WeakPolarHBondContact CB-SG 3.05Å; C589-C621 WeakPolarHBondContact SG-CA 3.3Å; C589-C621 WeakPolarHBondContact SG-CB 3.24Å; C589-C621 PolarHBondContact SG-O 2.69Å; C589-C621 CovalentContact SG-SG 2.04Å; C589-C621 PolarHBondContact SG-SG 2.07Å
590	E	74.3	Confident	70.6	Confident	66 Å²	66	56 Å²	56	31%	0.308	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.9	175.1	-170.5	157.3	-144.9	0	0	109.5	S584 P585 D587 C602	S584-E590 WeakPolarHBondContact CA-O 3.03Å; S584-E590 VanDerWaalsContact CB-O 3.31Å; S584-E590 WeakPolarHBondContact CB-O 3.41Å; S584-E590 PolarHBondContact OG-O 2.94Å; P585-E590 HydrophobicContact CG-CB 4.35Å; P585-E590 HydrophobicContact CG-CG 4.1Å; D587-E590 HydrophobicContact CB-CB 4.08Å; D587-E590 PolarHBondContact O-N 3.15Å; D587-E590 VanDerWaalsContact O-N 3.12Å; E590-C602 HydrophobicContact CG-CB 3.88Å; E590-C602 WeakPolarHBondContact OE1-CB 3.35Å
591	L	78.6	Confident	71.1	Confident	78 Å²	78	55.9 Å²	55.9	41%	0.408	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	107.7	-178.7	-164.5	71.7	0	0	0	108.7	I582 K603	I582-L591 HydrophobicContact CG2-CD1 3.48Å; I582-L591 VanDerWaalsContact CG2-CD1 3.48Å; I582-L591 HydrophobicContact CG2-CD2 3.97Å; I582-L591 HydrophobicContact CG2-CG 3.53Å; L591-K603 PolarHBondContact N-O 3Å; L591-K603 PolarHBondContact O-N 2.79Å
592	C	81.3	Confident	71.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.2	-177.5	-55.1	0	0	0	0	110.7	I582 W583 P585 V600 S601 C602	I582-C592 CarbonylContact C-O 3.24Å; I582-C592 VanDerWaalsContact CA-O 3.31Å; I582-C592 WeakPolarHBondContact CA-O 3.44Å; W583-C592 HydrophobicContact CD2-CB 4.24Å; W583-C592 HydrophobicContact CH2-CB 4.48Å; W583-C592 HydrophobicContact CZ2-CB 3.86Å; W583-C592 PolarHBondContact N-O 2.98Å; W583-C592 PolarHBondContact O-N 3.2Å; P585-C592 VanDerWaalsContact CD-SG 3.56Å; C592-V600 HydrophobicContact CB-CG1 3.82Å; C592-S601 WeakPolarHBondContact CA-O 2.87Å; C592-C602 HydrophobicContact CB-CB 4.12Å; C592-C602 WeakPolarHBondContact CB-SG 3.21Å; C592-C602 WeakPolarHBondContact SG-CB 3.29Å; C592-C602 CovalentContact SG-SG 2.04Å; C592-C602 PolarHBondContact SG-SG 2.03Å
593	I	80.5	Confident	71.6	Confident	66 Å²	66	57.8 Å²	57.8	34%	0.338	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.2	176.1	-51.1	-171.1	0	0	0	108.4	Q581 I582 Q595 S601	Q581-I593 WeakPolarHBondContact O-CA 3.14Å; I582-I593 HydrophobicContact CB-CG1 4.49Å; I582-I593 HydrophobicContact CD1-CD1 4.01Å; I582-I593 HydrophobicContact CD1-CG1 4.32Å; I582-I593 HydrophobicContact CG1-CD1 4.18Å; I582-I593 HydrophobicContact CG1-CG1 3.98Å; I582-I593 HydrophobicContact CG1-CG2 4.38Å; I582-I593 HydrophobicContact CG2-CG1 4.16Å; I593-Q595 PolarHBondContact O-N 2.89Å; I593-S601 PolarHBondContact N-O 3.44Å; I593-S601 PolarHBondContact O-N 2.81Å
594	C	79.4	Confident	71.7	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.007	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.1	168.6	177.2	0	0	0	0	109.3	C568 F577 G580 Q581 W583	C568-C594 HydrophobicContact CB-CB 3.69Å; C568-C594 WeakPolarHBondContact CB-SG 3.44Å; C568-C594 PolarHBondContact N-SG 3.36Å; C568-C594 WeakPolarHBondContact SG-CA 3.33Å; C568-C594 WeakPolarHBondContact SG-CB 3.49Å; C568-C594 CovalentContact SG-SG 2.03Å; C568-C594 PolarHBondContact SG-SG 2.93Å; F577-C594 HydrophobicContact CB-CB 4.49Å; F577-C594 PolarHBondContact O-SG 3.19Å; G580-C594 PolarHBondContact N-O 3.07Å; Q581-C594 PolarHBondContact O-N 3.04Å; W583-C594 HydrophobicContact CH2-CB 3.87Å; W583-C594 HydrophobicContact CZ3-CB 3.66Å; W583-C594 VanDerWaalsContact CZ3-N 3.29Å
595	Q	76.1	Confident	71.6	Confident	88 Å²	88	63.9 Å²	63.9	41%	0.411	38%	0.376	S	S	.	.			trans	-78.5	164.6	177.1	-69.9	-157.5	24.3	0	0	111.8	I593 D597 G598 S599 S601	I593-Q595 PolarHBondContact O-N 2.89Å; Q595-D597 WeakPolarHBondContact CB-OD1 3.22Å; Q595-D597 PolarHBondContact O-N 3.28Å; Q595-G598 PolarHBondContact O-N 3.35Å; Q595-G598 VanDerWaalsContact O-N 3.08Å; Q595-S599 PolarHBondContact N-O 2.66Å; Q595-S601 PolarHBondContact NE2-OG 3.4Å
596	A	65.4	Low	71.5	Confident	87 Å²	87	67.6 Å²	67.6	72%	0.719	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.2	-173.2	0	0	0	0	0	114.9	I579	I579-A596 HydrophobicContact CG2-CB 3.9Å
597	D	62.6	Low	71.5	Confident	115 Å²	115	66 Å²	66	62%	0.615	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.3	171.2	63.5	-14.9	0	0	0	113.1	Q595 S599	Q595-D597 WeakPolarHBondContact CB-OD1 3.22Å; Q595-D597 PolarHBondContact O-N 3.28Å; D597-S599 VanDerWaalsContact CG-OG 3.23Å; D597-S599 VanDerWaalsContact OD1-CB 3.31Å; D597-S599 WeakPolarHBondContact OD1-CB 3.35Å; D597-S599 PolarHBondContact OD1-N 3.49Å; D597-S599 PolarHBondContact OD1-OG 2.04Å; D597-S599 WeakPolarHBondContact OD2-CB 3.37Å; D597-S599 PolarHBondContact OD2-OG 3.24Å
598	G	64	Low	71.1	Confident	27 Å²	27	69.8 Å²	69.8	28%	0.278	39%	0.393	S	S	.	.	S	Bend	trans	85.9	5.2	-173	0	0	0	0	0	114.2	C568 Q595	C568-G598 WeakPolarHBondContact CB-O 3.49Å; C568-G598 VanDerWaalsContact SG-CA 3.54Å; C568-G598 PolarHBondContact SG-O 2.93Å; Q595-G598 PolarHBondContact O-N 3.35Å; Q595-G598 VanDerWaalsContact O-N 3.08Å
599	S	65.4	Low	70.4	Confident	45 Å²	45	74.2 Å²	74.2	32%	0.315	41%	0.414	S	S	.	.			trans	-84	147.1	176.2	75.9	0	0	0	0	112.7	C568 Q595 D597	C568-S599 PolarHBondContact SG-O 2.84Å; Q595-S599 PolarHBondContact N-O 2.66Å; D597-S599 VanDerWaalsContact CG-OG 3.23Å; D597-S599 VanDerWaalsContact OD1-CB 3.31Å; D597-S599 WeakPolarHBondContact OD1-CB 3.35Å; D597-S599 PolarHBondContact OD1-N 3.49Å; D597-S599 PolarHBondContact OD1-OG 2.04Å; D597-S599 WeakPolarHBondContact OD2-CB 3.37Å; D597-S599 PolarHBondContact OD2-OG 3.24Å
600	V	74.4	Confident	69.8	Low	44 Å²	44	78 Å²	78	27%	0.267	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.4	173	-178.5	0	0	0	0	109	C568 L570 W583 C592	C568-V600 HydrophobicContact CB-CG2 3.74Å; L570-V600 HydrophobicContact CD2-CB 4.42Å; L570-V600 HydrophobicContact CD2-CG1 4.13Å; L570-V600 HydrophobicContact CD2-CG2 4.14Å; L570-V600 HydrophobicContact CG-CG1 4.37Å; L570-V600 HydrophobicContact CG-CG2 4.14Å; W583-V600 HydrophobicContact CH2-CG1 4.02Å; W583-V600 HydrophobicContact CH2-CG2 4.15Å; W583-V600 HydrophobicContact CZ2-CB 4.42Å; W583-V600 HydrophobicContact CZ2-CG1 3.55Å; W583-V600 HydrophobicContact CZ2-CG2 4.02Å; C592-V600 HydrophobicContact CB-CG1 3.82Å
601	S	79	Confident	69	Low	49 Å²	49	75.6 Å²	75.6	34%	0.343	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	97.8	178.8	-170.5	0	0	0	0	110.2	C592 I593 Q595	C592-S601 WeakPolarHBondContact CA-O 2.87Å; I593-S601 PolarHBondContact N-O 3.44Å; I593-S601 PolarHBondContact O-N 2.81Å; Q595-S601 PolarHBondContact NE2-OG 3.4Å
602	C	78.6	Confident	68.2	Low	52 Å²	52	76.3 Å²	76.3	35%	0.351	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.7	176.3	-58.4	0	0	0	0	110.9	E590 C592	E590-C602 HydrophobicContact CG-CB 3.88Å; E590-C602 WeakPolarHBondContact OE1-CB 3.35Å; C592-C602 HydrophobicContact CB-CB 4.12Å; C592-C602 WeakPolarHBondContact CB-SG 3.21Å; C592-C602 WeakPolarHBondContact SG-CB 3.29Å; C592-C602 CovalentContact SG-SG 2.04Å; C592-C602 PolarHBondContact SG-SG 2.03Å
603	K	77.1	Confident	67.2	Low	159 Å²	159	79.8 Å²	79.8	69%	0.691	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.8	166.3	-176.7	177.9	178.3	-174.5	0	108.6	L591	L591-K603 PolarHBondContact N-O 3Å; L591-K603 PolarHBondContact O-N 2.79Å
604	R	72.9	Confident	66.4	Low	145 Å²	145	78 Å²	78	55%	0.547	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	144	169.1	-149.5	174.6	-152.9	164.2	8.6	110.4	D587 C589	D587-R604 IonicContact OD2-CZ 2.79Å; D587-R604 IonicContact OD2-NE 3.99Å; D587-R604 PolarHBondContact OD2-NE 3.5Å; D587-R604 IonicContact OD2-NH2 3.91Å; D587-R604 PolarHBondContact OD2-NH2 2.04Å; C589-R604 HydrophobicContact CB-CG 4.41Å; C589-R604 WeakPolarHBondContact O-CA 3.03Å; C589-R604 WeakPolarHBondContact O-CG 3.44Å
605	T	71	Confident	65.5	Low	68 Å²	68	78.5 Å²	78.5	42%	0.417	45%	0.452	S	S	.	.			trans	-90.3	107.9	171	-56.8	0	0	0	0	108.6	C589 C607	C589-T605 PolarHBondContact O-N 3.45Å; T605-C607 PolarHBondContact O-N 2.87Å
606	D	60.9	Low	64.8	Low	138 Å²	138	83.2 Å²	83.2	74%	0.738	47%	0.465	S	S	*	.			trans	-77.1	109.4	176.6	-58	-53.5	0	0	0	109.6
607	C	62.6	Low	64.5	Low	40 Å²	40	82 Å²	82	27%	0.27	45%	0.446	S	S	.	.			trans	-82.6	131.6	177.8	-53.4	0	0	0	0	110.2	T605 D609 C621 C622	T605-C607 PolarHBondContact O-N 2.87Å; C607-D609 PolarHBondContact O-N 3.4Å; C607-C621 PolarHBondContact SG-SG 2.96Å; C607-C622 VanDerWaalsContact CA-SG 3.6Å; C607-C622 HydrophobicContact CB-CB 3.85Å; C607-C622 WeakPolarHBondContact CB-SG 3.34Å; C607-C622 WeakPolarHBondContact SG-CA 2.98Å; C607-C622 WeakPolarHBondContact SG-CB 3.5Å; C607-C622 CovalentContact SG-SG 2.04Å; C607-C622 PolarHBondContact SG-SG 2.8Å
608	V	56.2	Low	64.3	Low	124 Å²	124	82.4 Å²	82.4	75%	0.752	46%	0.455	S	S	*	.			trans	-78.9	112.1	173.5	-175	0	0	0	0	108.8	S610	V608-S610 VanDerWaalsContact C-N 3.28Å; V608-S610 PolarHBondContact O-N 3.33Å; V608-S610 PolarHBondContact O-OG 3.48Å
609	D	50.6	Low	64	Low	151 Å²	151	84.6 Å²	84.6	81%	0.807	48%	0.478	S	S	*	.			trans	-64.6	83.4	178.4	-79	-42.7	0	0	0	111.3	C607	C607-D609 PolarHBondContact O-N 3.4Å
610	S	54.6	Low	63.8	Low	94 Å²	94	87.1 Å²	87.1	66%	0.657	49%	0.485	S	S	*	.			trans	-100.8	-12.8	-168.5	-52.6	0	0	0	0	113.9	V608	V608-S610 VanDerWaalsContact C-N 3.28Å; V608-S610 PolarHBondContact O-N 3.33Å; V608-S610 PolarHBondContact O-OG 3.48Å
611	C	58.1	Low	63.5	Low	16 Å²	16	86 Å²	86	11%	0.108	48%	0.478	C	S	.	.			trans	-145.9	143.9	176.6	73.1	0	0	0	0	110.7	P614 C625	C611-P614 VanDerWaalsContact SG-CB 3.59Å; C611-C625 HydrophobicContact CB-CB 4.02Å; C611-C625 WeakPolarHBondContact CB-SG 3.49Å; C611-C625 WeakPolarHBondContact SG-CB 3.47Å; C611-C625 CovalentContact SG-SG 2.05Å; C611-C625 PolarHBondContact SG-SG 3.36Å
612	P	61.1	Low	62.9	Low	94 Å²	94	86 Å²	86	61%	0.61	48%	0.478	S	S	*	.	S	Bend	trans	-80.8	-17.6	-167.1	30.8	-36.2	0	0	0	115	S658	P612-S658 WeakPolarHBondContact CD-OG 3.05Å
613	H	60.1	Low	62.2	Low	72 Å²	72	84.8 Å²	84.8	33%	0.333	47%	0.469	S	S	.	.	S	Bend	trans	-134.1	53.7	-174.8	-72.5	-71.4	0	0	0	112.5	C629 T630 G657 V659	H613-C629 CarbonylContact O-C 3.29Å; H613-C629 WeakPolarHBondContact O-CA 3.1Å; H613-T630 PolarHBondContact ND1-O 2.9Å; H613-T630 PolarHBondContact O-N 3.01Å; H613-G657 CarbonylContact C-O 3.41Å; H613-G657 VanDerWaalsContact C-O 3.26Å; H613-G657 WeakPolarHBondContact CA-O 3.39Å; H613-G657 PolarHBondContact N-O 2.86Å; H613-V659 HydrophobicContact CB-CG2 3.96Å
614	P	64.1	Low	61.7	Low	30 Å²	30	79.3 Å²	79.3	20%	0.195	45%	0.448	C	S	.	.			trans	-73	164.9	-171.7	34.8	-39.5	0	0	0	113.1	C611 P623 T630	C611-P614 VanDerWaalsContact SG-CB 3.59Å; P614-P623 HydrophobicContact CB-CB 3.64Å; P614-P623 HydrophobicContact CB-CG 3.71Å; P614-P623 HydrophobicContact CG-CB 3.71Å; P614-P623 HydrophobicContact CG-CG 3.53Å; P614-T630 PolarHBondContact O-OG1 2.83Å
615	I	61.5	Low	61.3	Low	11 Å²	11	74 Å²	74	6%	0.056	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-89.8	127.7	172.8	-68.2	177.1	0	0	0	111	I617 P623 D624 A627 G628 I635	I615-I617 HydrophobicContact CG2-CG1 3.94Å; I615-I617 PolarHBondContact O-N 2.77Å; I615-P623 CarbonylContact O-C 3.56Å; I615-P623 VanDerWaalsContact O-CA 3.24Å; I615-P623 WeakPolarHBondContact O-CA 3.47Å; I615-P623 WeakPolarHBondContact O-CB 3.25Å; I615-D624 PolarHBondContact N-O 2.04Å; I615-D624 PolarHBondContact O-N 2.7Å; I615-A627 HydrophobicContact CD1-CB 3.96Å; I615-G628 VanDerWaalsContact CD1-C 3.4Å; I615-G628 VanDerWaalsContact CD1-CA 3.45Å; I615-I635 HydrophobicContact CD1-CG2 3.49Å; I615-I635 VanDerWaalsContact CD1-CG2 3.49Å; I615-I635 HydrophobicContact CG1-CG2 3.99Å
616	R	60.8	Low	61	Low	186 Å²	186	75 Å²	75	70%	0.702	44%	0.442	S	S	*	.			trans	-91.3	86.3	169.1	-77.3	-178.1	-179.7	-95.2	0.1	112.1	P618 P623	R616-P618 VanDerWaalsContact O-CD 3.3Å; R616-P618 WeakPolarHBondContact O-CD 3.36Å; R616-P623 HydrophobicContact CG-CB 3.79Å
617	I	60.1	Low	61.2	Low	62 Å²	62	69.8 Å²	69.8	32%	0.318	42%	0.419	S	S	.	.			trans	-14.9	94.8	141.8	3.1	164	0	0	0	119.1	I615 G619 Q620 D624	I615-I617 HydrophobicContact CG2-CG1 3.94Å; I615-I617 PolarHBondContact O-N 2.77Å; I617-G619 PolarHBondContact O-N 2.84Å; I617-Q620 HydrophobicContact CB-CB 4.45Å; I617-Q620 HydrophobicContact CB-CG 4.2Å; I617-Q620 PolarHBondContact O-N 2.87Å; I617-D624 HydrophobicContact CD1-CB 4.34Å
618	P	57.8	Low	61.7	Low	124 Å²	124	67.9 Å²	67.9	81%	0.805	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	115.8	173.9	-26.4	36.9	0	0	0	111.6	R616	R616-P618 VanDerWaalsContact O-CD 3.3Å; R616-P618 WeakPolarHBondContact O-CD 3.36Å
619	G	57.6	Low	62.9	Low	73 Å²	73	62 Å²	62	75%	0.753	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	4.8	-176.1	0	0	0	0	0	115.9	I617	I617-G619 PolarHBondContact O-N 2.84Å
620	Q	61.2	Low	64.3	Low	98 Å²	98	56.9 Å²	56.9	46%	0.458	34%	0.344	S	S	.	.			trans	-104.9	152.8	169.2	-65.8	-174.9	-3.6	0	0	111.3	P588 I617	P588-Q620 WeakPolarHBondContact CG-O 3.22Å; I617-Q620 HydrophobicContact CB-CB 4.45Å; I617-Q620 HydrophobicContact CB-CG 4.2Å; I617-Q620 PolarHBondContact O-N 2.87Å
621	C	68.3	Low	65.4	Low	20 Å²	20	53.5 Å²	53.5	14%	0.135	32%	0.317	C	S	.	.	S	Bend	trans	-74.9	-78.1	175.1	169.4	0	0	0	0	112.1	P588 C589 C607	P588-C621 WeakPolarHBondContact O-CB 3.23Å; C589-C621 WeakPolarHBondContact CA-SG 3.34Å; C589-C621 HydrophobicContact CB-CB 3.88Å; C589-C621 WeakPolarHBondContact CB-SG 3.05Å; C589-C621 WeakPolarHBondContact SG-CA 3.3Å; C589-C621 WeakPolarHBondContact SG-CB 3.24Å; C589-C621 PolarHBondContact SG-O 2.69Å; C589-C621 CovalentContact SG-SG 2.04Å; C589-C621 PolarHBondContact SG-SG 2.07Å; C607-C621 PolarHBondContact SG-SG 2.96Å
622	C	66.4	Low	66.2	Low	50 Å²	50	56 Å²	56	34%	0.338	33%	0.332	S	S	.	.	S	Bend	trans	-76.2	140.1	-173.7	-61.5	0	0	0	0	109.8	C607	C607-C622 VanDerWaalsContact CA-SG 3.6Å; C607-C622 HydrophobicContact CB-CB 3.85Å; C607-C622 WeakPolarHBondContact CB-SG 3.34Å; C607-C622 WeakPolarHBondContact SG-CA 2.98Å; C607-C622 WeakPolarHBondContact SG-CB 3.5Å; C607-C622 CovalentContact SG-SG 2.04Å; C607-C622 PolarHBondContact SG-SG 2.8Å
623	P	64.4	Low	66.7	Low	25 Å²	25	55 Å²	55	16%	0.162	34%	0.339	C	S	.	.			trans	-82.7	136.6	-173.4	39.6	-39.3	0	0	0	109.3	P614 I615 R616 C625	P614-P623 HydrophobicContact CB-CB 3.64Å; P614-P623 HydrophobicContact CB-CG 3.71Å; P614-P623 HydrophobicContact CG-CB 3.71Å; P614-P623 HydrophobicContact CG-CG 3.53Å; I615-P623 CarbonylContact O-C 3.56Å; I615-P623 VanDerWaalsContact O-CA 3.24Å; I615-P623 WeakPolarHBondContact O-CA 3.47Å; I615-P623 WeakPolarHBondContact O-CB 3.25Å; R616-P623 HydrophobicContact CG-CB 3.79Å; P623-C625 PolarHBondContact O-N 3.29Å
624	D	66.1	Low	67.5	Low	44 Å²	44	59.6 Å²	59.6	24%	0.235	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-86.7	107.2	-166.8	-173.4	1.2	0	0	0	111.4	I615 I617 S626 A627	I615-D624 PolarHBondContact N-O 2.04Å; I615-D624 PolarHBondContact O-N 2.7Å; I617-D624 HydrophobicContact CD1-CB 4.34Å; D624-S626 VanDerWaalsContact C-N 3.3Å; D624-S626 WeakPolarHBondContact OD1-CA 3.28Å; D624-S626 VanDerWaalsContact OD1-CB 3.29Å; D624-S626 WeakPolarHBondContact OD1-CB 3.37Å; D624-S626 PolarHBondContact OD1-N 3.33Å; D624-S626 PolarHBondContact OD1-OG 3.46Å; D624-S626 PolarHBondContact OD2-OG 2.89Å; D624-A627 HydrophobicContact CB-CB 4.2Å; D624-A627 PolarHBondContact OD1-N 2.7Å; D624-A627 WeakPolarHBondContact OD2-CB 3.25Å
625	C	64.2	Low	68.2	Low	34 Å²	34	62.8 Å²	62.8	23%	0.23	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-25.3	170.9	-55.8	0	0	0	0	112.1	C611 P623 N638 L656 G657	C611-C625 HydrophobicContact CB-CB 4.02Å; C611-C625 WeakPolarHBondContact CB-SG 3.49Å; C611-C625 WeakPolarHBondContact SG-CB 3.47Å; C611-C625 CovalentContact SG-SG 2.05Å; C611-C625 PolarHBondContact SG-SG 3.36Å; P623-C625 PolarHBondContact O-N 3.29Å; C625-N638 PolarHBondContact O-ND2 2.95Å; C625-N638 VanDerWaalsContact O-ND2 3.12Å; C625-L656 CarbonylContact O-C 3.59Å; C625-L656 WeakPolarHBondContact O-CA 3.09Å; C625-G657 PolarHBondContact O-N 2.84Å
626	S	64.1	Low	69.2	Low	88 Å²	88	64 Å²	64	62%	0.615	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.1	-176	78.7	0	0	0	0	114	D624 N638	D624-S626 VanDerWaalsContact C-N 3.3Å; D624-S626 WeakPolarHBondContact OD1-CA 3.28Å; D624-S626 VanDerWaalsContact OD1-CB 3.29Å; D624-S626 WeakPolarHBondContact OD1-CB 3.37Å; D624-S626 PolarHBondContact OD1-N 3.33Å; D624-S626 PolarHBondContact OD1-OG 3.46Å; D624-S626 PolarHBondContact OD2-OG 2.89Å; S626-N638 PolarHBondContact O-ND2 2.95Å
627	A	66.4	Low	70.2	Confident	30 Å²	30	62.3 Å²	62.3	25%	0.248	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-35.8	173.5	0	0	0	0	0	113.7	I615 D624 N638	I615-A627 HydrophobicContact CD1-CB 3.96Å; D624-A627 HydrophobicContact CB-CB 4.2Å; D624-A627 PolarHBondContact OD1-N 2.7Å; D624-A627 WeakPolarHBondContact OD2-CB 3.25Å; A627-N638 PolarHBondContact O-N 3.09Å
628	G	73.2	Confident	70.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-154.4	-172.4	0	0	0	0	0	113.1	I615 F636 N638 C654 G657	I615-G628 VanDerWaalsContact CD1-C 3.4Å; I615-G628 VanDerWaalsContact CD1-CA 3.45Å; G628-F636 CarbonylContact C-O 3.59Å; G628-F636 WeakPolarHBondContact CA-O 3.45Å; G628-N638 PolarHBondContact N-ND2 2.72Å; G628-C654 VanDerWaalsContact CA-SG 3.5Å; G628-G657 VanDerWaalsContact O-CA 3.27Å; G628-G657 WeakPolarHBondContact O-CA 3.46Å; G628-G657 PolarHBondContact O-N 2.94Å
629	C	80.4	Confident	72	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.5	-169.2	-44.5	0	0	0	0	113	H613 F636 C654 G657 S658 V659	H613-C629 CarbonylContact O-C 3.29Å; H613-C629 WeakPolarHBondContact O-CA 3.1Å; C629-F636 PolarHBondContact N-O 2.86Å; C629-F636 PolarHBondContact O-N 2.9Å; C629-C654 HydrophobicContact CB-CB 3.78Å; C629-C654 WeakPolarHBondContact CB-SG 3.22Å; C629-C654 PolarHBondContact N-SG 2.04Å; C629-C654 WeakPolarHBondContact SG-CA 3.44Å; C629-C654 WeakPolarHBondContact SG-CB 3.45Å; C629-C654 CovalentContact SG-SG 2.04Å; C629-C654 PolarHBondContact SG-SG 2.99Å; C629-G657 VanDerWaalsContact SG-CA 3.56Å; C629-S658 PolarHBondContact SG-O 3.37Å; C629-S658 VanDerWaalsContact SG-O 3.33Å; C629-V659 HydrophobicContact CB-CG2 3.67Å
630	T	79.3	Confident	73.2	Confident	43 Å²	43	61.7 Å²	61.7	26%	0.264	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	105.6	174.6	-51.5	0	0	0	0	111.2	H613 P614 R634	H613-T630 PolarHBondContact ND1-O 2.9Å; H613-T630 PolarHBondContact O-N 3.01Å; P614-T630 PolarHBondContact O-OG1 2.83Å; T630-R634 CarbonylContact C-O 3.49Å; T630-R634 WeakPolarHBondContact CA-O 3Å
631	Y	78.1	Confident	74.3	Confident	24 Å²	24	61.9 Å²	61.9	9%	0.094	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.9	179.1	-168.4	-99.7	0	0	0	111.7	G633 R634 F642 S644 V659	Y631-G633 PolarHBondContact O-N 2.96Å; Y631-G633 VanDerWaalsContact O-N 3.1Å; Y631-R634 PolarHBondContact N-O 3.36Å; Y631-R634 PolarHBondContact O-N 3.21Å; Y631-F642 HydrophobicContact CD1-CD2 4.35Å; Y631-F642 AromaticContact CD1-CE2 3.53Å; Y631-F642 HydrophobicContact CD1-CE2 3.53Å; Y631-F642 HydrophobicContact CD1-CZ 4.36Å; Y631-F642 HydrophobicContact CD2-CE2 4.45Å; Y631-F642 HydrophobicContact CE1-CE2 4.14Å; Y631-F642 AromaticContact CG-CE2 3.69Å; Y631-F642 HydrophobicContact CG-CE2 3.69Å; Y631-F642 HydrophobicContact CG-CZ 4.06Å; Y631-S644 PolarHBondContact OH-OG 3.07Å; Y631-V659 HydrophobicContact CD2-CB 4.18Å; Y631-V659 HydrophobicContact CD2-CG1 3.76Å; Y631-V659 HydrophobicContact CD2-CG2 4.08Å; Y631-V659 HydrophobicContact CE2-CG1 4.06Å; Y631-V659 HydrophobicContact CG-CG1 4.42Å
632	T	75.9	Confident	75.1	Confident	69 Å²	69	61.3 Å²	61.3	42%	0.423	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	32.2	-178.8	57.9	0	0	0	0	114.6	R634 V645 L646	T632-R634 VanDerWaalsContact C-N 3.3Å; T632-R634 PolarHBondContact O-N 3.16Å; T632-V645 HydrophobicContact CG2-CB 4.38Å; T632-L646 HydrophobicContact CG2-CD1 4.24Å; T632-L646 HydrophobicContact CG2-CG 4.1Å
633	G	71	Confident	75.8	Confident	73 Å²	73	63.7 Å²	63.7	75%	0.753	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	5.7	-177.5	0	0	0	0	0	115.2	Y631	Y631-G633 PolarHBondContact O-N 2.96Å; Y631-G633 VanDerWaalsContact O-N 3.1Å
634	R	77.6	Confident	76.7	Confident	167 Å²	167	63 Å²	63	63%	0.63	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	148.1	169.4	-62.4	-175.5	-179	-141.2	0.4	110.1	T630 Y631 T632 F636	T630-R634 CarbonylContact C-O 3.49Å; T630-R634 WeakPolarHBondContact CA-O 3Å; Y631-R634 PolarHBondContact N-O 3.36Å; Y631-R634 PolarHBondContact O-N 3.21Å; T632-R634 VanDerWaalsContact C-N 3.3Å; T632-R634 PolarHBondContact O-N 3.16Å; R634-F636 HydrophobicContact CB-CD2 4.47Å; R634-F636 HydrophobicContact CB-CE2 3.72Å; R634-F636 HydrophobicContact CB-CZ 4.01Å
635	I	78.4	Confident	77.2	Confident	98 Å²	98	65.8 Å²	65.8	50%	0.503	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	175.5	-61.5	172.7	0	0	0	108	I615	I615-I635 HydrophobicContact CD1-CG2 3.49Å; I615-I635 VanDerWaalsContact CD1-CG2 3.49Å; I615-I635 HydrophobicContact CG1-CG2 3.99Å
636	F	81.3	Confident	77.7	Confident	36 Å²	36	71 Å²	71	16%	0.158	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.3	173	-62.4	-81.4	0	0	0	108.6	G628 C629 R634 E640 F642 C654	G628-F636 CarbonylContact C-O 3.59Å; G628-F636 WeakPolarHBondContact CA-O 3.45Å; C629-F636 PolarHBondContact N-O 2.86Å; C629-F636 PolarHBondContact O-N 2.9Å; R634-F636 HydrophobicContact CB-CD2 4.47Å; R634-F636 HydrophobicContact CB-CE2 3.72Å; R634-F636 HydrophobicContact CB-CZ 4.01Å; F636-E640 WeakPolarHBondContact CA-OE2 3.23Å; F636-F642 HydrophobicContact CB-CD1 3.9Å; F636-F642 HydrophobicContact CB-CE1 3.73Å; F636-F642 HydrophobicContact CD1-CB 3.92Å; F636-F642 AromaticContact CD1-CD1 3.43Å; F636-F642 HydrophobicContact CD1-CD1 3.43Å; F636-F642 VanDerWaalsContact CD1-CD1 3.43Å; F636-F642 HydrophobicContact CD1-CE1 4.04Å; F636-F642 AromaticContact CD1-CG 3.71Å; F636-F642 HydrophobicContact CD1-CG 3.71Å; F636-F642 AromaticContact CD2-CD1 3.78Å; F636-F642 HydrophobicContact CD2-CD1 3.78Å; F636-F642 HydrophobicContact CD2-CD2 4.18Å; F636-F642 AromaticContact CD2-CE1 3.59Å; F636-F642 HydrophobicContact CD2-CE1 3.59Å; F636-F642 HydrophobicContact CD2-CE2 4.01Å; F636-F642 HydrophobicContact CD2-CG 4.08Å; F636-F642 AromaticContact CD2-CZ 3.7Å; F636-F642 HydrophobicContact CD2-CZ 3.7Å; F636-F642 HydrophobicContact CE1-CB 3.47Å; F636-F642 VanDerWaalsContact CE1-CB 3.47Å; F636-F642 AromaticContact CE1-CD1 3.79Å; F636-F642 HydrophobicContact CE1-CD1 3.79Å; F636-F642 HydrophobicContact CE1-CD2 4.12Å; F636-F642 AromaticContact CE1-CG 3.52Å; F636-F642 HydrophobicContact CE1-CG 3.52Å; F636-F642 HydrophobicContact CE2-CD1 4.11Å; F636-F642 AromaticContact CE2-CD2 3.76Å; F636-F642 HydrophobicContact CE2-CD2 3.76Å; F636-F642 HydrophobicContact CE2-CE1 4.17Å; F636-F642 AromaticContact CE2-CE2 3.82Å; F636-F642 HydrophobicContact CE2-CE2 3.82Å; F636-F642 AromaticContact CE2-CG 3.91Å; F636-F642 HydrophobicContact CE2-CG 3.91Å; F636-F642 HydrophobicContact CE2-CZ 4.01Å; F636-F642 AromaticContact CG-CD1 3.41Å; F636-F642 HydrophobicContact CG-CD1 3.41Å; F636-F642 VanDerWaalsContact CG-CD1 3.41Å; F636-F642 AromaticContact CG-CE1 3.5Å; F636-F642 HydrophobicContact CG-CE1 3.5Å; F636-F642 VanDerWaalsContact CG-CE1 3.5Å; F636-F642 AromaticContact CG-CG 3.97Å; F636-F642 HydrophobicContact CG-CG 3.97Å; F636-F642 HydrophobicContact CG-CZ 4.12Å; F636-F642 HydrophobicContact CZ-CB 3.87Å; F636-F642 HydrophobicContact CZ-CD1 4.11Å; F636-F642 AromaticContact CZ-CD2 3.71Å; F636-F642 HydrophobicContact CZ-CD2 3.71Å; F636-F642 HydrophobicContact CZ-CE2 4.26Å; F636-F642 AromaticContact CZ-CG 3.62Å; F636-F642 HydrophobicContact CZ-CG 3.62Å; F636-C654 HydrophobicContact CB-CB 4.36Å
637	Y	81.9	Confident	78.2	Confident	151 Å²	151	69.9 Å²	69.9	59%	0.592	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	159.8	179.3	-64.6	-77.5	0	0	0	111.5	N639 E640 C654	Y637-N639 PolarHBondContact O-N 2.04Å; Y637-E640 PolarHBondContact N-OE2 3.05Å; Y637-E640 WeakPolarHBondContact O-CB 3.49Å; Y637-E640 PolarHBondContact O-N 2.81Å; Y637-C654 WeakPolarHBondContact O-CB 3.02Å
638	N	75.9	Confident	78.6	Confident	45 Å²	45	71.8 Å²	71.8	24%	0.241	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	135.6	178	-86.9	-32.8	0	0	0	112.1	C625 S626 A627 G628 E640 C654 L656	C625-N638 PolarHBondContact O-ND2 2.95Å; C625-N638 VanDerWaalsContact O-ND2 3.12Å; S626-N638 PolarHBondContact O-ND2 2.95Å; A627-N638 PolarHBondContact O-N 3.09Å; G628-N638 PolarHBondContact N-ND2 2.72Å; N638-E640 VanDerWaalsContact C-N 3.28Å; N638-E640 PolarHBondContact O-N 3.43Å; N638-C654 PolarHBondContact OD1-SG 3.33Å; N638-L656 VanDerWaalsContact OD1-CA 3.27Å; N638-L656 WeakPolarHBondContact OD1-CA 3.35Å; N638-L656 PolarHBondContact OD1-N 3.09Å
639	N	79.8	Confident	78.8	Confident	120 Å²	120	73.6 Å²	73.6	64%	0.642	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	12.7	-173.6	-144.4	93.8	0	0	0	115.6	Y637 C654	Y637-N639 PolarHBondContact O-N 2.04Å; N639-C654 WeakPolarHBondContact CA-O 3.32Å; N639-C654 PolarHBondContact N-O 2.83Å
640	E	82.5	Confident	78.9	Confident	81 Å²	81	76 Å²	76	38%	0.379	42%	0.416	S	S	.	.			trans	-79.9	136.7	166.2	-68	-171.1	149.5	0	0	111.9	F636 Y637 N638 I653 C654	F636-E640 WeakPolarHBondContact CA-OE2 3.23Å; Y637-E640 PolarHBondContact N-OE2 3.05Å; Y637-E640 WeakPolarHBondContact O-CB 3.49Å; Y637-E640 PolarHBondContact O-N 2.81Å; N638-E640 VanDerWaalsContact C-N 3.28Å; N638-E640 PolarHBondContact O-N 3.43Å; E640-I653 WeakPolarHBondContact O-CA 3.44Å; E640-C654 PolarHBondContact O-N 2.9Å
641	T	84.8	Confident	79.1	Confident	101 Å²	101	75.8 Å²	75.8	62%	0.62	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.6	172.8	50.8	0	0	0	0	111.2	C652 I653	T641-C652 CarbonylContact C-O 3.1Å; T641-C652 VanDerWaalsContact CA-O 3.29Å; T641-C652 WeakPolarHBondContact CA-O 2.95Å; T641-I653 HydrophobicContact CG2-CB 4.02Å; T641-I653 HydrophobicContact CG2-CD1 4.01Å; T641-I653 HydrophobicContact CG2-CG1 3.97Å
642	F	86	Confident	79.6	Confident	9 Å²	9	74.6 Å²	74.6	4%	0.039	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	145.5	-177.8	55.1	-89.3	0	0	0	111.6	Y631 F636 C652 C654 V659	Y631-F642 HydrophobicContact CD1-CD2 4.35Å; Y631-F642 AromaticContact CD1-CE2 3.53Å; Y631-F642 HydrophobicContact CD1-CE2 3.53Å; Y631-F642 HydrophobicContact CD1-CZ 4.36Å; Y631-F642 HydrophobicContact CD2-CE2 4.45Å; Y631-F642 HydrophobicContact CE1-CE2 4.14Å; Y631-F642 AromaticContact CG-CE2 3.69Å; Y631-F642 HydrophobicContact CG-CE2 3.69Å; Y631-F642 HydrophobicContact CG-CZ 4.06Å; F636-F642 HydrophobicContact CB-CD1 3.9Å; F636-F642 HydrophobicContact CB-CE1 3.73Å; F636-F642 HydrophobicContact CD1-CB 3.92Å; F636-F642 AromaticContact CD1-CD1 3.43Å; F636-F642 HydrophobicContact CD1-CD1 3.43Å; F636-F642 VanDerWaalsContact CD1-CD1 3.43Å; F636-F642 HydrophobicContact CD1-CE1 4.04Å; F636-F642 AromaticContact CD1-CG 3.71Å; F636-F642 HydrophobicContact CD1-CG 3.71Å; F636-F642 AromaticContact CD2-CD1 3.78Å; F636-F642 HydrophobicContact CD2-CD1 3.78Å; F636-F642 HydrophobicContact CD2-CD2 4.18Å; F636-F642 AromaticContact CD2-CE1 3.59Å; F636-F642 HydrophobicContact CD2-CE1 3.59Å; F636-F642 HydrophobicContact CD2-CE2 4.01Å; F636-F642 HydrophobicContact CD2-CG 4.08Å; F636-F642 AromaticContact CD2-CZ 3.7Å; F636-F642 HydrophobicContact CD2-CZ 3.7Å; F636-F642 HydrophobicContact CE1-CB 3.47Å; F636-F642 VanDerWaalsContact CE1-CB 3.47Å; F636-F642 AromaticContact CE1-CD1 3.79Å; F636-F642 HydrophobicContact CE1-CD1 3.79Å; F636-F642 HydrophobicContact CE1-CD2 4.12Å; F636-F642 AromaticContact CE1-CG 3.52Å; F636-F642 HydrophobicContact CE1-CG 3.52Å; F636-F642 HydrophobicContact CE2-CD1 4.11Å; F636-F642 AromaticContact CE2-CD2 3.76Å; F636-F642 HydrophobicContact CE2-CD2 3.76Å; F636-F642 HydrophobicContact CE2-CE1 4.17Å; F636-F642 AromaticContact CE2-CE2 3.82Å; F636-F642 HydrophobicContact CE2-CE2 3.82Å; F636-F642 AromaticContact CE2-CG 3.91Å; F636-F642 HydrophobicContact CE2-CG 3.91Å; F636-F642 HydrophobicContact CE2-CZ 4.01Å; F636-F642 AromaticContact CG-CD1 3.41Å; F636-F642 HydrophobicContact CG-CD1 3.41Å; F636-F642 VanDerWaalsContact CG-CD1 3.41Å; F636-F642 AromaticContact CG-CE1 3.5Å; F636-F642 HydrophobicContact CG-CE1 3.5Å; F636-F642 VanDerWaalsContact CG-CE1 3.5Å; F636-F642 AromaticContact CG-CG 3.97Å; F636-F642 HydrophobicContact CG-CG 3.97Å; F636-F642 HydrophobicContact CG-CZ 4.12Å; F636-F642 HydrophobicContact CZ-CB 3.87Å; F636-F642 HydrophobicContact CZ-CD1 4.11Å; F636-F642 AromaticContact CZ-CD2 3.71Å; F636-F642 HydrophobicContact CZ-CD2 3.71Å; F636-F642 HydrophobicContact CZ-CE2 4.26Å; F636-F642 AromaticContact CZ-CG 3.62Å; F636-F642 HydrophobicContact CZ-CG 3.62Å; F642-C652 HydrophobicContact CD2-CB 3.96Å; F642-C652 HydrophobicContact CE1-CB 4.36Å; F642-C652 HydrophobicContact CE2-CB 3.47Å; F642-C652 VanDerWaalsContact CE2-CB 3.47Å; F642-C652 HydrophobicContact CZ-CB 3.71Å; F642-C652 PolarHBondContact N-O 2.88Å; F642-C652 PolarHBondContact O-N 3.38Å; F642-C654 HydrophobicContact CE1-CB 4.34Å; F642-V659 HydrophobicContact CE2-CG1 4.35Å; F642-V659 HydrophobicContact CZ-CG1 3.74Å; F642-V659 HydrophobicContact CZ-CG2 4.37Å
643	P	81.3	Confident	80.1	Confident	100 Å²	100	73.4 Å²	73.4	65%	0.649	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	143.9	171.2	30.4	-34.5	0	0	0	110.5
644	S	81.8	Confident	80.7	Confident	10 Å²	10	69.9 Å²	69.9	7%	0.07	37%	0.367	C	S	.	.			trans	-69.4	145	174.1	178.5	0	0	0	0	111.7	Y631 L646 D647 L650	Y631-S644 PolarHBondContact OH-OG 3.07Å; S644-L646 PolarHBondContact OG-N 2.96Å; S644-D647 WeakPolarHBondContact CB-O 3.08Å; S644-D647 PolarHBondContact OG-N 2.96Å; S644-L650 PolarHBondContact N-O 2.03Å
645	V	77.4	Confident	80.8	Confident	103 Å²	103	65.3 Å²	65.3	62%	0.624	36%	0.355	S	S	*	.	S	Bend	trans	-87.2	-11.1	173	-169.1	0	0	0	0	111.3	T632	T632-V645 HydrophobicContact CG2-CB 4.38Å
646	L	74.9	Confident	80.5	Confident	142 Å²	142	66.2 Å²	66.2	74%	0.743	36%	0.36	S	S	*	.	S	Bend	trans	-96.8	-31.5	179.2	-64.7	173.8	0	0	0	112.6	T632 S644	T632-L646 HydrophobicContact CG2-CD1 4.24Å; T632-L646 HydrophobicContact CG2-CG 4.1Å; S644-L646 PolarHBondContact OG-N 2.96Å
647	D	75.3	Confident	79.9	Confident	65 Å²	65	64.5 Å²	64.5	35%	0.348	35%	0.352	S	S	.	.			trans	-142.7	115	178	-177.4	-9.3	0	0	0	109.6	S644 C649 L650	S644-D647 WeakPolarHBondContact CB-O 3.08Å; S644-D647 PolarHBondContact OG-N 2.96Å; D647-C649 PolarHBondContact O-N 3.1Å; D647-C649 VanDerWaalsContact O-N 3.1Å; D647-C649 WeakPolarHBondContact OD1-CB 3.47Å; D647-C649 PolarHBondContact OD1-N 3.4Å; D647-L650 HydrophobicContact CB-CB 4.4Å; D647-L650 HydrophobicContact CB-CD1 4.02Å; D647-L650 HydrophobicContact CB-CG 4.03Å; D647-L650 PolarHBondContact O-N 2.88Å; D647-L650 VanDerWaalsContact O-N 3.11Å
648	P	75.1	Confident	79.4	Confident	71 Å²	71	59.5 Å²	59.5	46%	0.461	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.4	179	28.9	-35.9	0	0	0	113.4	C680	P648-C680 HydrophobicContact CB-CB 4.45Å; P648-C680 WeakPolarHBondContact O-CB 3.38Å
649	C	77.4	Confident	79.6	Confident	37 Å²	37	58.6 Å²	58.6	25%	0.25	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.5	175.1	-78.6	0	0	0	0	115.3	D647 P663 V664 C680	D647-C649 PolarHBondContact O-N 3.1Å; D647-C649 VanDerWaalsContact O-N 3.1Å; D647-C649 WeakPolarHBondContact OD1-CB 3.47Å; D647-C649 PolarHBondContact OD1-N 3.4Å; C649-P663 CarbonylContact O-C 3.57Å; C649-P663 WeakPolarHBondContact O-CA 3.02Å; C649-V664 WeakPolarHBondContact O-CG2 3.48Å; C649-V664 PolarHBondContact O-N 3.41Å; C649-C680 WeakPolarHBondContact CA-SG 3.32Å; C649-C680 HydrophobicContact CB-CB 3.9Å; C649-C680 WeakPolarHBondContact CB-SG 2.97Å; C649-C680 WeakPolarHBondContact SG-CA 3.31Å; C649-C680 WeakPolarHBondContact SG-CB 3.39Å; C649-C680 CovalentContact SG-SG 2.03Å; C649-C680 PolarHBondContact SG-SG 2.93Å
650	L	81.9	Confident	79.7	Confident	50 Å²	50	55.2 Å²	55.2	26%	0.262	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.6	177.2	-67.8	-178.8	0	0	0	111.9	S644 D647 C661	S644-L650 PolarHBondContact N-O 2.03Å; D647-L650 HydrophobicContact CB-CB 4.4Å; D647-L650 HydrophobicContact CB-CD1 4.02Å; D647-L650 HydrophobicContact CB-CG 4.03Å; D647-L650 PolarHBondContact O-N 2.88Å; D647-L650 VanDerWaalsContact O-N 3.11Å; L650-C661 HydrophobicContact CB-CB 4.19Å; L650-C661 HydrophobicContact CD1-CB 4.23Å; L650-C661 HydrophobicContact CD2-CB 4.35Å; L650-C661 HydrophobicContact CG-CB 4.5Å
651	S	84.1	Confident	79.8	Confident	39 Å²	39	53.9 Å²	53.9	27%	0.273	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.1	163.9	176	0	0	0	0	108.4	S662	S651-S662 PolarHBondContact N-O 2.84Å; S651-S662 PolarHBondContact O-N 2.71Å; S651-S662 PolarHBondContact O-OG 3.3Å
652	C	87.9	Confident	79.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.8	-177	-57.8	0	0	0	0	111.2	T641 F642 V659 A660 C661	T641-C652 CarbonylContact C-O 3.1Å; T641-C652 VanDerWaalsContact CA-O 3.29Å; T641-C652 WeakPolarHBondContact CA-O 2.95Å; F642-C652 HydrophobicContact CD2-CB 3.96Å; F642-C652 HydrophobicContact CE1-CB 4.36Å; F642-C652 HydrophobicContact CE2-CB 3.47Å; F642-C652 VanDerWaalsContact CE2-CB 3.47Å; F642-C652 HydrophobicContact CZ-CB 3.71Å; F642-C652 PolarHBondContact N-O 2.88Å; F642-C652 PolarHBondContact O-N 3.38Å; C652-V659 HydrophobicContact CB-CG1 3.75Å; C652-A660 CarbonylContact C-O 3.57Å; C652-A660 WeakPolarHBondContact CA-O 3.47Å; C652-C661 HydrophobicContact CB-CB 4.1Å; C652-C661 WeakPolarHBondContact CB-SG 3.46Å; C652-C661 WeakPolarHBondContact SG-CB 3.42Å; C652-C661 CovalentContact SG-SG 2.05Å; C652-C661 PolarHBondContact SG-SG 3.25Å
653	I	85.4	Confident	79.2	Confident	43 Å²	43	56.2 Å²	56.2	22%	0.221	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139	171.2	-170.6	169	0	0	0	109.8	E640 T641 L655 A660	E640-I653 WeakPolarHBondContact O-CA 3.44Å; T641-I653 HydrophobicContact CG2-CB 4.02Å; T641-I653 HydrophobicContact CG2-CD1 4.01Å; T641-I653 HydrophobicContact CG2-CG1 3.97Å; I653-L655 HydrophobicContact CD1-CD2 4.08Å; I653-L655 HydrophobicContact CD1-CG 4.43Å; I653-L655 HydrophobicContact CG1-CD2 4.25Å; I653-L655 HydrophobicContact CG1-CG 4.22Å; I653-L655 HydrophobicContact CG2-CD1 3.93Å; I653-L655 HydrophobicContact CG2-CG 4.05Å; I653-A660 HydrophobicContact CG2-CB 4.06Å; I653-A660 PolarHBondContact N-O 3.23Å; I653-A660 PolarHBondContact O-N 3.34Å
654	C	84.4	Confident	79.2	Confident	0 Å²	0	54 Å²	54	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.5	169.4	173.3	0	0	0	0	111	G628 C629 F636 Y637 N638 N639 E640 F642	G628-C654 VanDerWaalsContact CA-SG 3.5Å; C629-C654 HydrophobicContact CB-CB 3.78Å; C629-C654 WeakPolarHBondContact CB-SG 3.22Å; C629-C654 PolarHBondContact N-SG 2.04Å; C629-C654 WeakPolarHBondContact SG-CA 3.44Å; C629-C654 WeakPolarHBondContact SG-CB 3.45Å; C629-C654 CovalentContact SG-SG 2.04Å; C629-C654 PolarHBondContact SG-SG 2.99Å; F636-C654 HydrophobicContact CB-CB 4.36Å; Y637-C654 WeakPolarHBondContact O-CB 3.02Å; N638-C654 PolarHBondContact OD1-SG 3.33Å; N639-C654 WeakPolarHBondContact CA-O 3.32Å; N639-C654 PolarHBondContact N-O 2.83Å; E640-C654 PolarHBondContact O-N 2.9Å; F642-C654 HydrophobicContact CE1-CB 4.34Å
655	L	80.5	Confident	78.9	Confident	71 Å²	71	61 Å²	61	37%	0.372	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	100.3	178.1	-65.6	174.7	0	0	0	110.2	I653 G657 S658	I653-L655 HydrophobicContact CD1-CD2 4.08Å; I653-L655 HydrophobicContact CD1-CG 4.43Å; I653-L655 HydrophobicContact CG1-CD2 4.25Å; I653-L655 HydrophobicContact CG1-CG 4.22Å; I653-L655 HydrophobicContact CG2-CD1 3.93Å; I653-L655 HydrophobicContact CG2-CG 4.05Å; L655-G657 PolarHBondContact O-N 3.35Å; L655-S658 PolarHBondContact N-O 3.03Å; L655-S658 VanDerWaalsContact O-CB 3.31Å; L655-S658 WeakPolarHBondContact O-CB 3.19Å; L655-S658 PolarHBondContact O-N 2.8Å
656	L	72	Confident	78.9	Confident	117 Å²	117	57.8 Å²	57.8	61%	0.613	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	57.9	177.2	-65.8	86.8	0	0	0	113.1	C625 N638 S658	C625-L656 CarbonylContact O-C 3.59Å; C625-L656 WeakPolarHBondContact O-CA 3.09Å; N638-L656 VanDerWaalsContact OD1-CA 3.27Å; N638-L656 WeakPolarHBondContact OD1-CA 3.35Å; N638-L656 PolarHBondContact OD1-N 3.09Å; L656-S658 PolarHBondContact O-N 3.01Å
657	G	68.1	Low	78.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	4.5	179.4	0	0	0	0	0	115.1	H613 C625 G628 C629 L655	H613-G657 CarbonylContact C-O 3.41Å; H613-G657 VanDerWaalsContact C-O 3.26Å; H613-G657 WeakPolarHBondContact CA-O 3.39Å; H613-G657 PolarHBondContact N-O 2.86Å; C625-G657 PolarHBondContact O-N 2.84Å; G628-G657 VanDerWaalsContact O-CA 3.27Å; G628-G657 WeakPolarHBondContact O-CA 3.46Å; G628-G657 PolarHBondContact O-N 2.94Å; C629-G657 VanDerWaalsContact SG-CA 3.56Å; L655-G657 PolarHBondContact O-N 3.35Å
658	S	70.2	Confident	78.5	Confident	45 Å²	45	57.5 Å²	57.5	32%	0.315	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136	170.2	-53.3	0	0	0	0	109.7	P612 C629 L655 L656	P612-S658 WeakPolarHBondContact CD-OG 3.05Å; C629-S658 PolarHBondContact SG-O 3.37Å; C629-S658 VanDerWaalsContact SG-O 3.33Å; L655-S658 PolarHBondContact N-O 3.03Å; L655-S658 VanDerWaalsContact O-CB 3.31Å; L655-S658 WeakPolarHBondContact O-CB 3.19Å; L655-S658 PolarHBondContact O-N 2.8Å; L656-S658 PolarHBondContact O-N 3.01Å
659	V	81.4	Confident	78	Confident	27 Å²	27	60.7 Å²	60.7	16%	0.164	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.1	174.8	-179.1	0	0	0	0	108.3	H613 C629 Y631 F642 C652	H613-V659 HydrophobicContact CB-CG2 3.96Å; C629-V659 HydrophobicContact CB-CG2 3.67Å; Y631-V659 HydrophobicContact CD2-CB 4.18Å; Y631-V659 HydrophobicContact CD2-CG1 3.76Å; Y631-V659 HydrophobicContact CD2-CG2 4.08Å; Y631-V659 HydrophobicContact CE2-CG1 4.06Å; Y631-V659 HydrophobicContact CG-CG1 4.42Å; F642-V659 HydrophobicContact CE2-CG1 4.35Å; F642-V659 HydrophobicContact CZ-CG1 3.74Å; F642-V659 HydrophobicContact CZ-CG2 4.37Å; C652-V659 HydrophobicContact CB-CG1 3.75Å
660	A	80.8	Confident	77.4	Confident	48 Å²	48	60.1 Å²	60.1	40%	0.397	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.3	174.6	0	0	0	0	0	108.9	C652 I653	C652-A660 CarbonylContact C-O 3.57Å; C652-A660 WeakPolarHBondContact CA-O 3.47Å; I653-A660 HydrophobicContact CG2-CB 4.06Å; I653-A660 PolarHBondContact N-O 3.23Å; I653-A660 PolarHBondContact O-N 3.34Å
661	C	85.2	Confident	76.5	Confident	53 Å²	53	62 Å²	62	36%	0.358	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.1	179.7	-58.6	0	0	0	0	111	L650 C652	L650-C661 HydrophobicContact CB-CB 4.19Å; L650-C661 HydrophobicContact CD1-CB 4.23Å; L650-C661 HydrophobicContact CD2-CB 4.35Å; L650-C661 HydrophobicContact CG-CB 4.5Å; C652-C661 HydrophobicContact CB-CB 4.1Å; C652-C661 WeakPolarHBondContact CB-SG 3.46Å; C652-C661 WeakPolarHBondContact SG-CB 3.42Å; C652-C661 CovalentContact SG-SG 2.05Å; C652-C661 PolarHBondContact SG-SG 3.25Å
662	S	78.8	Confident	75.4	Confident	65 Å²	65	65.6 Å²	65.6	46%	0.455	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	150.9	171.7	61.7	0	0	0	0	110.4	S651	S651-S662 PolarHBondContact N-O 2.84Å; S651-S662 PolarHBondContact O-N 2.71Å; S651-S662 PolarHBondContact O-OG 3.3Å
663	P	80.4	Confident	74.2	Confident	95 Å²	95	67.9 Å²	67.9	62%	0.617	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	151.7	168.4	27.2	-34.6	0	0	0	111.1	C649	C649-P663 CarbonylContact O-C 3.57Å; C649-P663 WeakPolarHBondContact O-CA 3.02Å
664	V	81.3	Confident	73.2	Confident	54 Å²	54	69.1 Å²	69.1	33%	0.327	41%	0.406	S	S	.	.			trans	-81.2	117.8	174.3	173	0	0	0	0	109.7	C649 C666	C649-V664 WeakPolarHBondContact O-CG2 3.48Å; C649-V664 PolarHBondContact O-N 3.41Å; V664-C666 PolarHBondContact O-N 2.71Å
665	D	73.9	Confident	72.5	Confident	155 Å²	155	74.2 Å²	74.2	83%	0.829	43%	0.429	S	S	*	.			trans	-68.1	109.9	173	-74.1	-49.3	0	0	0	111	P667	D665-P667 VanDerWaalsContact O-CD 3.25Å; D665-P667 WeakPolarHBondContact O-CD 3.29Å
666	C	77.8	Confident	72	Confident	36 Å²	36	72.1 Å²	72.1	24%	0.243	42%	0.42	C	S	.	.			trans	-96.5	105.7	178.6	-61.7	0	0	0	0	111.4	V664 I668 C681	V664-C666 PolarHBondContact O-N 2.71Å; C666-I668 PolarHBondContact O-N 2.81Å; C666-C681 HydrophobicContact CB-CB 3.72Å; C666-C681 WeakPolarHBondContact CB-SG 2.97Å; C666-C681 WeakPolarHBondContact SG-CA 3.31Å; C666-C681 WeakPolarHBondContact SG-CB 3.23Å; C666-C681 CovalentContact SG-SG 2.04Å; C666-C681 PolarHBondContact SG-SG 2.05Å
667	P	69.6	Low	71.6	Confident	121 Å²	121	74.7 Å²	74.7	79%	0.786	43%	0.434	S	S	*	.			trans	-77.8	82.4	-179.9	31.9	-36.2	0	0	0	112	D665	D665-P667 VanDerWaalsContact O-CD 3.25Å; D665-P667 WeakPolarHBondContact O-CD 3.29Å
668	I	72.6	Confident	71.5	Confident	81 Å²	81	78 Å²	78	42%	0.415	47%	0.468	S	S	.	.			trans	-76.2	138.9	176.7	-55.7	163.7	0	0	0	110.2	C666 P673 P682	C666-I668 PolarHBondContact O-N 2.81Å; I668-P673 HydrophobicContact CG2-CB 3.83Å; I668-P673 HydrophobicContact CG2-CG 3.98Å; I668-P682 HydrophobicContact CD1-CG 3.51Å; I668-P682 HydrophobicContact CG1-CG 4.11Å
669	T	63.7	Low	71.7	Confident	137 Å²	137	81.3 Å²	81.3	84%	0.84	48%	0.479	S	S	*	.			trans	-133	-1.9	-178.1	49.6	0	0	0	0	115.1
670	C	65.7	Low	71.5	Confident	25 Å²	25	80.9 Å²	80.9	17%	0.169	48%	0.477	C	S	.	.	S	Bend	trans	-103.3	159.6	177.3	63.7	0	0	0	0	112.8	C684	C670-C684 HydrophobicContact CB-CB 3.58Å; C670-C684 WeakPolarHBondContact CB-SG 3.09Å; C670-C684 VanDerWaalsContact SG-CA 3.54Å; C670-C684 WeakPolarHBondContact SG-CB 3.38Å; C670-C684 CovalentContact SG-SG 2.03Å; C670-C684 PolarHBondContact SG-SG 2.94Å
671	T	63.7	Low	71.4	Confident	90 Å²	90	80.7 Å²	80.7	55%	0.552	47%	0.472	S	S	*	.	S	Bend	trans	-70.6	-35.9	-177	-41.1	0	0	0	0	113.5
672	Y	59.6	Low	70.9	Confident	114 Å²	114	79.5 Å²	79.5	45%	0.447	46%	0.464	S	S	.	.	S	Bend	trans	-128.8	74.8	-178	-60.2	-75.2	0	0	0	112	G715 V717	Y672-G715 WeakPolarHBondContact CB-O 3.33Å; Y672-G715 PolarHBondContact N-O 3.28Å; Y672-V717 HydrophobicContact CD2-CG2 4.47Å
673	P	63.9	Low	70.7	Confident	49 Å²	49	79 Å²	79	32%	0.318	46%	0.458	S	S	.	.			trans	-68.6	144.8	177.2	31.6	-37.7	0	0	0	111.7	I668 P682	I668-P673 HydrophobicContact CG2-CB 3.83Å; I668-P673 HydrophobicContact CG2-CG 3.98Å; P673-P682 HydrophobicContact CB-CB 4.14Å; P673-P682 HydrophobicContact CB-CG 4.26Å
674	F	63.7	Low	70.2	Confident	69 Å²	69	76.2 Å²	76.2	30%	0.303	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-117.3	133.6	178.9	175.5	-93.5	0	0	0	111.5	P676 P682 V683	F674-P676 HydrophobicContact CE1-CB 4.45Å; F674-P676 WeakPolarHBondContact O-CD 3.37Å; F674-P682 CarbonylContact O-C 3.43Å; F674-P682 VanDerWaalsContact O-CA 3.27Å; F674-P682 WeakPolarHBondContact O-CA 3.4Å; F674-P682 WeakPolarHBondContact O-CB 3.49Å; F674-V683 PolarHBondContact N-O 3.45Å; F674-V683 PolarHBondContact O-N 3.23Å
675	H	68.8	Low	69.7	Low	106 Å²	106	82.1 Å²	82.1	49%	0.491	46%	0.456	S	S	.	.			trans	-90.1	114.4	178.8	-139.8	-63	0	0	0	110.3	E679 C680 P682	H675-E679 PolarHBondContact CE1-O 2.79Å; H675-E679 PolarHBondContact ND1-O 2.97Å; H675-C680 PolarHBondContact CE1-O 2.03Å; H675-C680 PolarHBondContact NE2-O 2.91Å; H675-C680 VanDerWaalsContact NE2-O 3.1Å; H675-P682 HydrophobicContact CB-CB 4.26Å
676	P	70.4	Confident	69.7	Low	27 Å²	27	75.8 Å²	75.8	18%	0.175	42%	0.423	C	S	.	.			trans	-80.7	152.4	173.6	33.4	-31.1	0	0	0	110.9	F674 G678 E679 V683	F674-P676 HydrophobicContact CE1-CB 4.45Å; F674-P676 WeakPolarHBondContact O-CD 3.37Å; P676-G678 PolarHBondContact O-N 2.95Å; P676-G678 VanDerWaalsContact O-N 3.16Å; P676-E679 HydrophobicContact CG-CB 3.95Å; P676-E679 HydrophobicContact CG-CG 3.96Å; P676-E679 VanDerWaalsContact CG-OE2 3.24Å; P676-E679 WeakPolarHBondContact CG-OE2 3.45Å; P676-V683 HydrophobicContact CG-CG2 4.24Å
677	D	65.1	Low	69.6	Low	171 Å²	171	74.1 Å²	74.1	91%	0.914	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	113	-178	-61.4	-66.3	0	0	0	111.7
678	G	65.9	Low	69.6	Low	70 Å²	70	71.2 Å²	71.2	72%	0.722	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	-2.1	172.5	0	0	0	0	0	116.7	P676	P676-G678 PolarHBondContact O-N 2.95Å; P676-G678 VanDerWaalsContact O-N 3.16Å
679	E	74.4	Confident	69.4	Low	114 Å²	114	69.9 Å²	69.9	53%	0.533	38%	0.38	S	S	.	.			trans	-98.9	153.4	167.4	-47.6	-173.7	152.8	0	0	110.3	H675 P676	H675-E679 PolarHBondContact CE1-O 2.79Å; H675-E679 PolarHBondContact ND1-O 2.97Å; P676-E679 HydrophobicContact CG-CB 3.95Å; P676-E679 HydrophobicContact CG-CG 3.96Å; P676-E679 VanDerWaalsContact CG-OE2 3.24Å; P676-E679 WeakPolarHBondContact CG-OE2 3.45Å
680	C	77.1	Confident	69.6	Low	18 Å²	18	69.8 Å²	69.8	12%	0.122	37%	0.37	C	S	.	.	S	Bend	trans	-78.2	-50.9	178.2	177.9	0	0	0	0	113.9	P648 C649 H675	P648-C680 HydrophobicContact CB-CB 4.45Å; P648-C680 WeakPolarHBondContact O-CB 3.38Å; C649-C680 WeakPolarHBondContact CA-SG 3.32Å; C649-C680 HydrophobicContact CB-CB 3.9Å; C649-C680 WeakPolarHBondContact CB-SG 2.97Å; C649-C680 WeakPolarHBondContact SG-CA 3.31Å; C649-C680 WeakPolarHBondContact SG-CB 3.39Å; C649-C680 CovalentContact SG-SG 2.03Å; C649-C680 PolarHBondContact SG-SG 2.93Å; H675-C680 PolarHBondContact CE1-O 2.03Å; H675-C680 PolarHBondContact NE2-O 2.91Å; H675-C680 VanDerWaalsContact NE2-O 3.1Å
681	C	77.6	Confident	69.5	Low	44 Å²	44	71.8 Å²	71.8	30%	0.297	39%	0.394	S	S	.	.	S	Bend	trans	-86.1	129.6	-172.8	-64.8	0	0	0	0	110.6	C666	C666-C681 HydrophobicContact CB-CB 3.72Å; C666-C681 WeakPolarHBondContact CB-SG 2.97Å; C666-C681 WeakPolarHBondContact SG-CA 3.31Å; C666-C681 WeakPolarHBondContact SG-CB 3.23Å; C666-C681 CovalentContact SG-SG 2.04Å; C666-C681 PolarHBondContact SG-SG 2.05Å
682	P	74.8	Confident	69.7	Low	29 Å²	29	75.4 Å²	75.4	19%	0.188	40%	0.397	C	S	.	.			trans	-70.9	143.5	174.6	32.3	-36.7	0	0	0	110.4	I668 P673 F674 H675	I668-P682 HydrophobicContact CD1-CG 3.51Å; I668-P682 HydrophobicContact CG1-CG 4.11Å; P673-P682 HydrophobicContact CB-CB 4.14Å; P673-P682 HydrophobicContact CB-CG 4.26Å; F674-P682 CarbonylContact O-C 3.43Å; F674-P682 VanDerWaalsContact O-CA 3.27Å; F674-P682 WeakPolarHBondContact O-CA 3.4Å; F674-P682 WeakPolarHBondContact O-CB 3.49Å; H675-P682 HydrophobicContact CB-CB 4.26Å
683	V	75.8	Confident	70.2	Confident	55 Å²	55	75.6 Å²	75.6	33%	0.333	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-109	133.3	-168.7	-62.2	0	0	0	0	112.4	F674 P676 R685	F674-V683 PolarHBondContact N-O 3.45Å; F674-V683 PolarHBondContact O-N 3.23Å; P676-V683 HydrophobicContact CG-CG2 4.24Å; V683-R685 HydrophobicContact CG2-CB 4.33Å; V683-R685 PolarHBondContact O-N 3.19Å
684	C	69.1	Low	70.9	Confident	35 Å²	35	73.9 Å²	73.9	24%	0.236	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	45.6	176.5	-62.4	0	0	0	0	112.5	C670 L714	C670-C684 HydrophobicContact CB-CB 3.58Å; C670-C684 WeakPolarHBondContact CB-SG 3.09Å; C670-C684 VanDerWaalsContact SG-CA 3.54Å; C670-C684 WeakPolarHBondContact SG-CB 3.38Å; C670-C684 CovalentContact SG-SG 2.03Å; C670-C684 PolarHBondContact SG-SG 2.94Å; C684-L714 CarbonylContact O-C 3.3Å; C684-L714 VanDerWaalsContact O-C 3.27Å; C684-L714 WeakPolarHBondContact O-CA 3.31Å
685	R	70.6	Confident	71.6	Confident	178 Å²	178	72.6 Å²	72.6	67%	0.672	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-46.9	-176.1	-174.4	172.2	179.9	162	1.1	112.7	V683 N696	V683-R685 HydrophobicContact CG2-CB 4.33Å; V683-R685 PolarHBondContact O-N 3.19Å; R685-N696 VanDerWaalsContact O-CB 3.29Å; R685-N696 WeakPolarHBondContact O-CB 3.19Å; R685-N696 PolarHBondContact O-ND2 2.79Å
686	D	74.1	Confident	71.9	Confident	22 Å²	22	71 Å²	71	12%	0.118	39%	0.386	C	S	.	.	S	Bend	trans	-127.5	159.9	-175.5	-59.7	-58.8	0	0	0	108.4	K693 A695 N696	D686-K693 HydrophobicContact CB-CG 4.35Å; D686-K693 WeakPolarHBondContact OD2-CE 3.41Å; D686-K693 IonicContact OD2-NZ 2.7Å; D686-K693 PolarHBondContact OD2-NZ 3.35Å; D686-A695 WeakPolarHBondContact OD1-CA 3.02Å; D686-N696 PolarHBondContact OD1-N 3.01Å
687	C	75.8	Confident	72.1	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.007	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	141.8	-174.3	-49.3	0	0	0	0	111.8	V694 C712 G715 E716 V717	C687-V694 HydrophobicContact CB-CB 4.5Å; C687-V694 PolarHBondContact N-O 3.21Å; C687-V694 PolarHBondContact O-N 3.28Å; C687-C712 HydrophobicContact CB-CB 3.76Å; C687-C712 WeakPolarHBondContact CB-SG 3.37Å; C687-C712 PolarHBondContact N-SG 2.85Å; C687-C712 WeakPolarHBondContact SG-CA 3.34Å; C687-C712 WeakPolarHBondContact SG-CB 3.47Å; C687-C712 CovalentContact SG-SG 2.03Å; C687-C712 PolarHBondContact SG-SG 2.84Å; C687-G715 PolarHBondContact SG-N 2.95Å; C687-E716 PolarHBondContact SG-O 2.02Å; C687-V717 HydrophobicContact CB-CG2 3.64Å
688	N	69.3	Low	72.8	Confident	60 Å²	60	68.8 Å²	68.8	32%	0.321	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	103.2	170	-177.1	12.2	0	0	0	109.6	G691	N688-G691 VanDerWaalsContact OD1-C 3.3Å; N688-G691 WeakPolarHBondContact OD1-CA 3.1Å; N688-G691 PolarHBondContact OD1-N 2.81Å
689	Y	69.3	Low	73.5	Confident	54 Å²	54	69.3 Å²	69.3	21%	0.212	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.5	176.8	-173.5	-89.6	0	0	0	109.4	G691 R692 F700 L702 V717	Y689-G691 PolarHBondContact O-N 2.78Å; Y689-G691 VanDerWaalsContact O-N 3.12Å; Y689-R692 PolarHBondContact N-O 3.32Å; Y689-R692 WeakPolarHBondContact O-CA 3.49Å; Y689-R692 WeakPolarHBondContact O-CB 3.5Å; Y689-R692 PolarHBondContact O-N 3.06Å; Y689-F700 AromaticContact CD1-CE2 3.48Å; Y689-F700 HydrophobicContact CD1-CE2 3.48Å; Y689-F700 VanDerWaalsContact CD1-CE2 3.48Å; Y689-F700 AromaticContact CD1-CZ 3.81Å; Y689-F700 HydrophobicContact CD1-CZ 3.81Å; Y689-F700 HydrophobicContact CD2-CE2 4.15Å; Y689-F700 AromaticContact CD2-CZ 3.78Å; Y689-F700 HydrophobicContact CD2-CZ 3.78Å; Y689-F700 AromaticContact CE1-CE2 3.77Å; Y689-F700 HydrophobicContact CE1-CE2 3.77Å; Y689-F700 HydrophobicContact CE1-CZ 4.37Å; Y689-F700 HydrophobicContact CE2-CE2 4.39Å; Y689-F700 HydrophobicContact CE2-CZ 4.34Å; Y689-F700 AromaticContact CG-CE2 3.72Å; Y689-F700 HydrophobicContact CG-CE2 3.72Å; Y689-F700 AromaticContact CG-CZ 3.51Å; Y689-F700 HydrophobicContact CG-CZ 3.51Å; Y689-L702 WeakPolarHBondContact OH-CD2 3.41Å; Y689-V717 HydrophobicContact CD2-CG1 4Å; Y689-V717 HydrophobicContact CD2-CG2 4.36Å
690	E	67.8	Low	73.7	Confident	135 Å²	135	65.8 Å²	65.8	63%	0.631	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	34.8	-178.3	-68.3	171.1	-162.9	0	0	114.3	R692	E690-R692 VanDerWaalsContact C-N 3.27Å; E690-R692 PolarHBondContact O-N 2.97Å
691	G	62.8	Low	73.7	Confident	66 Å²	66	68.6 Å²	68.6	68%	0.68	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	2.1	-177.7	0	0	0	0	0	114.6	N688 Y689	N688-G691 VanDerWaalsContact OD1-C 3.3Å; N688-G691 WeakPolarHBondContact OD1-CA 3.1Å; N688-G691 PolarHBondContact OD1-N 2.81Å; Y689-G691 PolarHBondContact O-N 2.78Å; Y689-G691 VanDerWaalsContact O-N 3.12Å
692	R	67.1	Low	73.5	Confident	166 Å²	166	68 Å²	68	63%	0.626	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.2	175.7	-54.8	-171.9	-171.4	179.1	10.8	110.3	Y689 E690 V694	Y689-R692 PolarHBondContact N-O 3.32Å; Y689-R692 WeakPolarHBondContact O-CA 3.49Å; Y689-R692 WeakPolarHBondContact O-CB 3.5Å; Y689-R692 PolarHBondContact O-N 3.06Å; E690-R692 VanDerWaalsContact C-N 3.27Å; E690-R692 PolarHBondContact O-N 2.97Å; R692-V694 PolarHBondContact O-N 2.04Å
693	K	71.6	Confident	73.1	Confident	119 Å²	119	73.2 Å²	73.2	52%	0.517	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	114	172.4	176.6	167.3	175.4	151.1	0	110.3	D686	D686-K693 HydrophobicContact CB-CG 4.35Å; D686-K693 WeakPolarHBondContact OD2-CE 3.41Å; D686-K693 IonicContact OD2-NZ 2.7Å; D686-K693 PolarHBondContact OD2-NZ 3.35Å
694	V	78.4	Confident	72.6	Confident	13 Å²	13	78 Å²	78	8%	0.079	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.3	172.1	-179.3	0	0	0	0	108.1	C687 R692 Q698 F700 C712	C687-V694 HydrophobicContact CB-CB 4.5Å; C687-V694 PolarHBondContact N-O 3.21Å; C687-V694 PolarHBondContact O-N 3.28Å; R692-V694 PolarHBondContact O-N 2.04Å; V694-Q698 HydrophobicContact CG1-CB 3.81Å; V694-Q698 HydrophobicContact CG1-CG 4.13Å; V694-F700 HydrophobicContact CB-CE1 4.42Å; V694-F700 HydrophobicContact CG1-CD1 3.78Å; V694-F700 HydrophobicContact CG1-CE1 3.87Å; V694-F700 HydrophobicContact CG2-CD1 4.16Å; V694-F700 HydrophobicContact CG2-CE1 3.98Å; V694-F700 HydrophobicContact CG2-CZ 4.41Å; V694-C712 HydrophobicContact CB-CB 4.29Å; V694-C712 HydrophobicContact CG1-CB 3.64Å
695	A	78.9	Confident	72.5	Confident	41 Å²	41	80.1 Å²	80.1	34%	0.339	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-69	152.2	-177.5	0	0	0	0	0	112	D686 G697 Q698 C712	D686-A695 WeakPolarHBondContact OD1-CA 3.02Å; A695-G697 PolarHBondContact O-N 2.04Å; A695-Q698 HydrophobicContact CB-CB 4.26Å; A695-Q698 WeakPolarHBondContact O-CB 3.37Å; A695-Q698 PolarHBondContact O-N 2.92Å; A695-C712 WeakPolarHBondContact O-CB 3.38Å
696	N	73.4	Confident	72.3	Confident	73 Å²	73	74 Å²	74	39%	0.39	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	129.6	176.5	-157	1.6	0	0	0	112.3	R685 D686 Q698 Q713 L714	R685-N696 VanDerWaalsContact O-CB 3.29Å; R685-N696 WeakPolarHBondContact O-CB 3.19Å; R685-N696 PolarHBondContact O-ND2 2.79Å; D686-N696 PolarHBondContact OD1-N 3.01Å; N696-Q698 PolarHBondContact O-N 2.8Å; N696-Q713 WeakPolarHBondContact OD1-CA 3.48Å; N696-L714 WeakPolarHBondContact ND2-CD2 3.02Å; N696-L714 PolarHBondContact OD1-N 2.85Å
697	G	76.2	Confident	72.2	Confident	55 Å²	55	74.6 Å²	74.6	57%	0.567	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-0.9	-174.6	0	0	0	0	0	115.2	A695 C712	A695-G697 PolarHBondContact O-N 2.04Å; G697-C712 WeakPolarHBondContact CA-O 3.4Å; G697-C712 PolarHBondContact N-O 2.85Å
698	Q	78.8	Confident	72.3	Confident	97 Å²	97	75 Å²	75	45%	0.453	41%	0.413	S	S	.	.			trans	-74.5	140.2	175.5	-172	177.3	1.1	0	0	110.9	V694 A695 N696 C712	V694-Q698 HydrophobicContact CG1-CB 3.81Å; V694-Q698 HydrophobicContact CG1-CG 4.13Å; A695-Q698 HydrophobicContact CB-CB 4.26Å; A695-Q698 WeakPolarHBondContact O-CB 3.37Å; A695-Q698 PolarHBondContact O-N 2.92Å; N696-Q698 PolarHBondContact O-N 2.8Å; Q698-C712 PolarHBondContact O-N 2.06Å
699	V	80.7	Confident	73	Confident	81 Å²	81	77.1 Å²	77.1	49%	0.491	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.5	179.1	-174.2	0	0	0	0	108.9	R709 C710 T711	V699-R709 HydrophobicContact CG1-CG 3.58Å; V699-C710 WeakPolarHBondContact CA-O 3.07Å; V699-T711 HydrophobicContact CG1-CG2 4.22Å; V699-T711 HydrophobicContact CG2-CG2 4.01Å
700	F	79.6	Confident	73.7	Confident	39 Å²	39	74.6 Å²	74.6	17%	0.171	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	168.6	179.4	65.4	-81.8	0	0	0	111.5	Y689 V694 R709 C710 V717	Y689-F700 AromaticContact CD1-CE2 3.48Å; Y689-F700 HydrophobicContact CD1-CE2 3.48Å; Y689-F700 VanDerWaalsContact CD1-CE2 3.48Å; Y689-F700 AromaticContact CD1-CZ 3.81Å; Y689-F700 HydrophobicContact CD1-CZ 3.81Å; Y689-F700 HydrophobicContact CD2-CE2 4.15Å; Y689-F700 AromaticContact CD2-CZ 3.78Å; Y689-F700 HydrophobicContact CD2-CZ 3.78Å; Y689-F700 AromaticContact CE1-CE2 3.77Å; Y689-F700 HydrophobicContact CE1-CE2 3.77Å; Y689-F700 HydrophobicContact CE1-CZ 4.37Å; Y689-F700 HydrophobicContact CE2-CE2 4.39Å; Y689-F700 HydrophobicContact CE2-CZ 4.34Å; Y689-F700 AromaticContact CG-CE2 3.72Å; Y689-F700 HydrophobicContact CG-CE2 3.72Å; Y689-F700 AromaticContact CG-CZ 3.51Å; Y689-F700 HydrophobicContact CG-CZ 3.51Å; V694-F700 HydrophobicContact CB-CE1 4.42Å; V694-F700 HydrophobicContact CG1-CD1 3.78Å; V694-F700 HydrophobicContact CG1-CE1 3.87Å; V694-F700 HydrophobicContact CG2-CD1 4.16Å; V694-F700 HydrophobicContact CG2-CE1 3.98Å; V694-F700 HydrophobicContact CG2-CZ 4.41Å; F700-R709 CarbonylContact O-C 3.57Å; F700-R709 WeakPolarHBondContact O-CA 3.19Å; F700-C710 HydrophobicContact CD1-CB 4.07Å; F700-C710 HydrophobicContact CD2-CB 4.11Å; F700-C710 HydrophobicContact CE1-CB 3.57Å; F700-C710 HydrophobicContact CE2-CB 3.62Å; F700-C710 HydrophobicContact CG-CB 4.33Å; F700-C710 HydrophobicContact CZ-CB 3.33Å; F700-C710 PolarHBondContact N-O 2.92Å; F700-C710 PolarHBondContact O-N 2.96Å; F700-V717 HydrophobicContact CE1-CG1 4.17Å; F700-V717 HydrophobicContact CZ-CG1 3.85Å
701	T	75.3	Confident	74.4	Confident	78 Å²	78	69.4 Å²	69.4	48%	0.479	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152	175	45.8	0	0	0	0	109.3	T708 R709	T701-T708 WeakPolarHBondContact CA-O 3.45Å; T701-R709 HydrophobicContact CG2-CB 4.33Å; T701-R709 HydrophobicContact CG2-CG 4.47Å
702	L	73.7	Confident	75.4	Confident	31 Å²	31	66.2 Å²	66.2	16%	0.162	35%	0.352	C	S	.	.			trans	-77.6	140.3	175	-77.8	74.8	0	0	0	110.4	Y689 D704 E705 T708 C710	Y689-L702 WeakPolarHBondContact OH-CD2 3.41Å; L702-D704 VanDerWaalsContact C-N 3.31Å; L702-E705 HydrophobicContact CB-CB 4.21Å; L702-E705 HydrophobicContact CD2-CB 4.5Å; L702-E705 CarbonylContact O-C 3.58Å; L702-E705 VanDerWaalsContact O-C 3.3Å; L702-T708 HydrophobicContact CD1-CG2 3.94Å; L702-T708 PolarHBondContact N-O 2.83Å; L702-C710 WeakPolarHBondContact CD1-SG 3.43Å
703	D	66.1	Low	75.9	Confident	139 Å²	139	64 Å²	64	74%	0.743	35%	0.348	S	S	*	.	S	Bend	trans	-66.6	-34	172.9	-66.4	-42.6	0	0	0	111.2
704	D	66	Low	76	Confident	154 Å²	154	63.6 Å²	63.6	82%	0.824	35%	0.351	S	S	*	.	S	Bend	trans	-85.5	-21.4	178.4	-69.7	-42.4	0	0	0	114.4	L702	L702-D704 VanDerWaalsContact C-N 3.31Å
705	E	67.2	Low	75.4	Confident	81 Å²	81	63 Å²	63	38%	0.379	35%	0.347	S	S	.	.			trans	-131.4	83.5	173.4	-75.5	-156.2	143.4	0	0	110.5	L702 C707 T708 K721	L702-E705 HydrophobicContact CB-CB 4.21Å; L702-E705 HydrophobicContact CD2-CB 4.5Å; L702-E705 CarbonylContact O-C 3.58Å; L702-E705 VanDerWaalsContact O-C 3.3Å; E705-C707 PolarHBondContact O-N 3.16Å; E705-T708 PolarHBondContact O-N 2.72Å; E705-T708 PolarHBondContact OE2-OG1 2.87Å; E705-K721 IonicContact OE1-NZ 2.64Å; E705-K721 PolarHBondContact OE1-NZ 3.21Å; E705-K721 WeakPolarHBondContact OE2-CE 3.04Å; E705-K721 IonicContact OE2-NZ 2.74Å; E705-K721 PolarHBondContact OE2-NZ 3.14Å
706	P	66.1	Low	75.2	Confident	50 Å²	50	66.7 Å²	66.7	33%	0.325	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.2	-175.1	23.5	-34.4	0	0	0	114.2	C738	P706-C738 HydrophobicContact CB-CB 4.49Å
707	C	72.8	Confident	75.5	Confident	33 Å²	33	64.5 Å²	64.5	22%	0.223	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.6	173.2	-66.9	0	0	0	0	114.9	E705 I722 C738	E705-C707 PolarHBondContact O-N 3.16Å; C707-I722 WeakPolarHBondContact O-CB 3.44Å; C707-I722 WeakPolarHBondContact O-CG1 3.33Å; C707-I722 PolarHBondContact O-N 2.96Å; C707-C738 WeakPolarHBondContact CA-SG 3.28Å; C707-C738 HydrophobicContact CB-CB 4.09Å; C707-C738 WeakPolarHBondContact CB-SG 3.47Å; C707-C738 VanDerWaalsContact SG-C 3.52Å; C707-C738 WeakPolarHBondContact SG-CA 3.38Å; C707-C738 WeakPolarHBondContact SG-CB 3.42Å; C707-C738 PolarHBondContact SG-O 2.81Å; C707-C738 CovalentContact SG-SG 2.04Å; C707-C738 PolarHBondContact SG-SG 3.05Å
708	T	78	Confident	75.6	Confident	10 Å²	10	64.8 Å²	64.8	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.3	178.2	-61.1	0	0	0	0	109.4	T701 L702 E705 C719 K721	T701-T708 WeakPolarHBondContact CA-O 3.45Å; L702-T708 HydrophobicContact CD1-CG2 3.94Å; L702-T708 PolarHBondContact N-O 2.83Å; E705-T708 PolarHBondContact O-N 2.72Å; E705-T708 PolarHBondContact OE2-OG1 2.87Å; T708-C719 HydrophobicContact CG2-CB 4.02Å; T708-K721 HydrophobicContact CG2-CG 4.48Å; T708-K721 VanDerWaalsContact OG1-CE 3.29Å; T708-K721 WeakPolarHBondContact OG1-CE 3Å
709	R	82.4	Confident	75.9	Confident	105 Å²	105	63.2 Å²	63.2	40%	0.396	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.1	-176.8	-177.2	-172.5	70.9	170.8	0.2	110.1	V699 F700 T701 C719 E720 I722	V699-R709 HydrophobicContact CG1-CG 3.58Å; F700-R709 CarbonylContact O-C 3.57Å; F700-R709 WeakPolarHBondContact O-CA 3.19Å; T701-R709 HydrophobicContact CG2-CB 4.33Å; T701-R709 HydrophobicContact CG2-CG 4.47Å; R709-C719 WeakPolarHBondContact O-CA 3.16Å; R709-E720 IonicContact CZ-OE2 3.66Å; R709-E720 PolarHBondContact N-O 3.08Å; R709-E720 IonicContact NE-OE2 3.84Å; R709-E720 IonicContact NH2-OE2 2.68Å; R709-E720 PolarHBondContact NH2-OE2 3.16Å; R709-E720 PolarHBondContact O-N 3.16Å; R709-I722 HydrophobicContact CB-CD1 4.24Å; R709-I722 HydrophobicContact CB-CG1 4.44Å
710	C	84.6	Confident	75.8	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	149	-178.2	-60.5	0	0	0	0	112.2	V699 F700 L702 V717 S718 C719	V699-C710 WeakPolarHBondContact CA-O 3.07Å; F700-C710 HydrophobicContact CD1-CB 4.07Å; F700-C710 HydrophobicContact CD2-CB 4.11Å; F700-C710 HydrophobicContact CE1-CB 3.57Å; F700-C710 HydrophobicContact CE2-CB 3.62Å; F700-C710 HydrophobicContact CG-CB 4.33Å; F700-C710 HydrophobicContact CZ-CB 3.33Å; F700-C710 PolarHBondContact N-O 2.92Å; F700-C710 PolarHBondContact O-N 2.96Å; L702-C710 WeakPolarHBondContact CD1-SG 3.43Å; C710-V717 HydrophobicContact CB-CG1 3.89Å; C710-S718 CarbonylContact C-O 3.3Å; C710-S718 WeakPolarHBondContact CA-O 3.25Å; C710-C719 HydrophobicContact CB-CB 4.12Å; C710-C719 WeakPolarHBondContact CB-SG 3.25Å; C710-C719 WeakPolarHBondContact SG-CB 3.07Å; C710-C719 CovalentContact SG-SG 2.04Å; C710-C719 PolarHBondContact SG-SG 2.91Å
711	T	83.1	Confident	75.6	Confident	26 Å²	26	69 Å²	69	16%	0.16	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.6	177.3	69	0	0	0	0	109.6	V699 Q713 V717 S718	V699-T711 HydrophobicContact CG1-CG2 4.22Å; V699-T711 HydrophobicContact CG2-CG2 4.01Å; T711-Q713 PolarHBondContact OG1-NE2 3.48Å; T711-V717 WeakPolarHBondContact O-CA 3.47Å; T711-S718 PolarHBondContact N-O 3.31Å; T711-S718 PolarHBondContact O-N 3.08Å; T711-S718 PolarHBondContact OG1-O 3.46Å
712	C	83.4	Confident	75.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130	172.6	171.3	0	0	0	0	110.9	C687 V694 A695 G697 Q698	C687-C712 HydrophobicContact CB-CB 3.76Å; C687-C712 WeakPolarHBondContact CB-SG 3.37Å; C687-C712 PolarHBondContact N-SG 2.85Å; C687-C712 WeakPolarHBondContact SG-CA 3.34Å; C687-C712 WeakPolarHBondContact SG-CB 3.47Å; C687-C712 CovalentContact SG-SG 2.03Å; C687-C712 PolarHBondContact SG-SG 2.84Å; V694-C712 HydrophobicContact CB-CB 4.29Å; V694-C712 HydrophobicContact CG1-CB 3.64Å; A695-C712 WeakPolarHBondContact O-CB 3.38Å; G697-C712 WeakPolarHBondContact CA-O 3.4Å; G697-C712 PolarHBondContact N-O 2.85Å; Q698-C712 PolarHBondContact O-N 2.06Å
713	Q	78.8	Confident	75	Confident	119 Å²	119	72.5 Å²	72.5	56%	0.556	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	105.3	173.5	-60.1	-175	45.7	0	0	109.3	N696 T711 G715 E716	N696-Q713 WeakPolarHBondContact OD1-CA 3.48Å; T711-Q713 PolarHBondContact OG1-NE2 3.48Å; Q713-G715 VanDerWaalsContact C-N 3.32Å; Q713-G715 PolarHBondContact O-N 3.43Å; Q713-G715 VanDerWaalsContact O-N 3.15Å; Q713-E716 PolarHBondContact N-O 2.95Å; Q713-E716 WeakPolarHBondContact O-CB 3.47Å; Q713-E716 PolarHBondContact O-N 3Å
714	L	72.6	Confident	74.8	Confident	110 Å²	110	68.8 Å²	68.8	58%	0.576	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	41.9	173.2	-66.6	166.7	0	0	0	115.7	C684 N696	C684-L714 CarbonylContact O-C 3.3Å; C684-L714 VanDerWaalsContact O-C 3.27Å; C684-L714 WeakPolarHBondContact O-CA 3.31Å; N696-L714 WeakPolarHBondContact ND2-CD2 3.02Å; N696-L714 PolarHBondContact OD1-N 2.85Å
715	G	66.8	Low	74.3	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	5.2	-179.1	0	0	0	0	0	115	Y672 C687 Q713	Y672-G715 WeakPolarHBondContact CB-O 3.33Å; Y672-G715 PolarHBondContact N-O 3.28Å; C687-G715 PolarHBondContact SG-N 2.95Å; Q713-G715 VanDerWaalsContact C-N 3.32Å; Q713-G715 PolarHBondContact O-N 3.43Å; Q713-G715 VanDerWaalsContact O-N 3.15Å
716	E	74.7	Confident	73.5	Confident	119 Å²	119	77.4 Å²	77.4	56%	0.556	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.8	167.3	-173.8	171	-156.4	0	0	110.4	C687 Q713	C687-E716 PolarHBondContact SG-O 2.02Å; Q713-E716 PolarHBondContact N-O 2.95Å; Q713-E716 WeakPolarHBondContact O-CB 3.47Å; Q713-E716 PolarHBondContact O-N 3Å
717	V	78.6	Confident	72.8	Confident	27 Å²	27	80.2 Å²	80.2	16%	0.164	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.5	177.3	-178.2	0	0	0	0	109	Y672 C687 Y689 F700 C710 T711	Y672-V717 HydrophobicContact CD2-CG2 4.47Å; C687-V717 HydrophobicContact CB-CG2 3.64Å; Y689-V717 HydrophobicContact CD2-CG1 4Å; Y689-V717 HydrophobicContact CD2-CG2 4.36Å; F700-V717 HydrophobicContact CE1-CG1 4.17Å; F700-V717 HydrophobicContact CZ-CG1 3.85Å; C710-V717 HydrophobicContact CB-CG1 3.89Å; T711-V717 WeakPolarHBondContact O-CA 3.47Å
718	S	79.3	Confident	71.8	Confident	62 Å²	62	81.4 Å²	81.4	43%	0.434	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.6	177.7	-178.5	0	0	0	0	110.4	C710 T711	C710-S718 CarbonylContact C-O 3.3Å; C710-S718 WeakPolarHBondContact CA-O 3.25Å; T711-S718 PolarHBondContact N-O 3.31Å; T711-S718 PolarHBondContact O-N 3.08Å; T711-S718 PolarHBondContact OG1-O 3.46Å
719	C	83.3	Confident	70.5	Confident	63 Å²	63	86 Å²	86	43%	0.426	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.2	-172.8	-59.4	0	0	0	0	112.5	T708 R709 C710	T708-C719 HydrophobicContact CG2-CB 4.02Å; R709-C719 WeakPolarHBondContact O-CA 3.16Å; C710-C719 HydrophobicContact CB-CB 4.12Å; C710-C719 WeakPolarHBondContact CB-SG 3.25Å; C710-C719 WeakPolarHBondContact SG-CB 3.07Å; C710-C719 CovalentContact SG-SG 2.04Å; C710-C719 PolarHBondContact SG-SG 2.91Å
720	E	79.7	Confident	69	Low	106 Å²	106	88.6 Å²	88.6	50%	0.495	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.1	179.8	-60.5	177.6	140.2	0	0	110.2	R709	R709-E720 IonicContact CZ-OE2 3.66Å; R709-E720 PolarHBondContact N-O 3.08Å; R709-E720 IonicContact NE-OE2 3.84Å; R709-E720 IonicContact NH2-OE2 2.68Å; R709-E720 PolarHBondContact NH2-OE2 3.16Å; R709-E720 PolarHBondContact O-N 3.16Å
721	K	75	Confident	67.3	Low	135 Å²	135	92.1 Å²	92.1	59%	0.587	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.8	173.1	-62.8	-152.3	169.7	-161	0	111.1	E705 T708 P723	E705-K721 IonicContact OE1-NZ 2.64Å; E705-K721 PolarHBondContact OE1-NZ 3.21Å; E705-K721 WeakPolarHBondContact OE2-CE 3.04Å; E705-K721 IonicContact OE2-NZ 2.74Å; E705-K721 PolarHBondContact OE2-NZ 3.14Å; T708-K721 HydrophobicContact CG2-CG 4.48Å; T708-K721 VanDerWaalsContact OG1-CE 3.29Å; T708-K721 WeakPolarHBondContact OG1-CE 3Å; K721-P723 WeakPolarHBondContact O-CD 3.45Å
722	I	73.9	Confident	65.7	Low	74 Å²	74	95.4 Å²	95.4	38%	0.379	54%	0.539	S	S	.	.			trans	-78.4	118.8	-180	-58	174.8	0	0	0	109.3	C707 R709 C724	C707-I722 WeakPolarHBondContact O-CB 3.44Å; C707-I722 WeakPolarHBondContact O-CG1 3.33Å; C707-I722 PolarHBondContact O-N 2.96Å; R709-I722 HydrophobicContact CB-CD1 4.24Å; R709-I722 HydrophobicContact CB-CG1 4.44Å; I722-C724 PolarHBondContact O-N 2.08Å
723	P	61.7	Low	64.1	Low	109 Å²	109	101.9 Å²	101.9	71%	0.708	57%	0.573	S	S	*	*			trans	-84.6	107.3	-179.8	31.8	-32.5	0	0	0	111.9	K721 Q725	K721-P723 WeakPolarHBondContact O-CD 3.45Å; P723-Q725 PolarHBondContact O-N 3.15Å
724	C	62.3	Low	62.8	Low	62 Å²	62	102.3 Å²	102.3	42%	0.419	58%	0.579	S	S	.	*			trans	-65.9	126.2	175.1	-64.4	0	0	0	0	112.5	I722 C738 C739	I722-C724 PolarHBondContact O-N 2.08Å; C724-C738 PolarHBondContact SG-O 3.49Å; C724-C738 VanDerWaalsContact SG-SG 3.62Å; C724-C739 WeakPolarHBondContact CA-SG 3.21Å; C724-C739 HydrophobicContact CB-CB 3.87Å; C724-C739 WeakPolarHBondContact CB-SG 3.22Å; C724-C739 WeakPolarHBondContact SG-CA 3.45Å; C724-C739 WeakPolarHBondContact SG-CB 3.47Å; C724-C739 CovalentContact SG-SG 2.04Å; C724-C739 PolarHBondContact SG-SG 2.91Å
725	Q	55.1	Low	61.6	Low	179 Å²	179	103.3 Å²	103.3	84%	0.836	59%	0.592	S	S	*	*			trans	-99.7	78.6	179.7	-67.1	-168.2	7	0	0	113.4	P723	P723-Q725 PolarHBondContact O-N 3.15Å
726	R	51.9	Low	61	Low	236 Å²	236	106.3 Å²	106.3	89%	0.891	62%	0.623	S	S	*	*			trans	172	147.5	145.7	-94.6	147.8	-167.2	176.5	4.1	110.8
727	A	50.3	Low	60.2	Low	109 Å²	109	105.5 Å²	105.5	90%	0.901	62%	0.622	S	S	*	*			trans	-98.2	116	166.2	0	0	0	0	0	108.9
728	C	53.3	Low	59.5	Low	58 Å²	58	106 Å²	106	39%	0.392	63%	0.626	S	S	.	*			trans	-100.1	147.7	174.1	-65.6	0	0	0	0	109.8	D730	C728-D730 VanDerWaalsContact C-N 3.34Å; C728-D730 PolarHBondContact O-N 2.87Å
729	A	49	Very low	58.6	Low	108 Å²	108	105.7 Å²	105.7	89%	0.893	62%	0.624	S	S	*	*	S	Bend	trans	-70.8	-27	-175.2	0	0	0	0	0	113.9
730	D	51.6	Low	57.3	Low	159 Å²	159	105.7 Å²	105.7	85%	0.85	62%	0.624	S	S	*	*	S	Bend	trans	-142.5	107.9	169.9	-95.8	-53.7	0	0	0	109.1	C728	C728-D730 VanDerWaalsContact C-N 3.34Å; C728-D730 PolarHBondContact O-N 2.87Å
731	P	49.2	Very low	55.9	Low	73 Å²	73	105.4 Å²	105.4	47%	0.474	63%	0.634	S	S	.	*			trans	-94.5	110.8	174.1	32.8	-28.7	0	0	0	111.4	L733	P731-L733 PolarHBondContact O-N 3.14Å
732	A	49.1	Very low	54.6	Low	95 Å²	95	103.6 Å²	103.6	79%	0.785	64%	0.637	S	S	*	*			trans	-74.7	109.7	166.2	0	0	0	0	0	109.7
733	L	49.4	Very low	53.2	Low	136 Å²	136	106 Å²	106	71%	0.712	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-86	120.2	176.5	-106.6	157.7	0	0	0	110.6	P731	P731-L733 PolarHBondContact O-N 3.14Å
734	L	51.8	Low	51.8	Low	129 Å²	129	108.1 Å²	108.1	68%	0.675	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-94.9	151.3	162.5	-74.9	171.4	0	0	0	109.6	G736	L734-G736 PolarHBondContact O-N 2.94Å
735	P	47.5	Very low	50.5	Low	131 Å²	131	109.8 Å²	109.8	85%	0.851	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	121.9	-175.8	-16.5	31.3	0	0	0	112.1
736	G	55.4	Low	49.3	Very low	63 Å²	63	108.6 Å²	108.6	65%	0.649	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.3	-22.9	169.1	0	0	0	0	0	116	L734	L734-G736 PolarHBondContact O-N 2.94Å
737	D	57.8	Low	48.2	Very low	101 Å²	101	102 Å²	102	54%	0.54	66%	0.664	S	S	.	*			trans	-86.5	133	-178.6	-76.1	-47	0	0	0	112.7
738	C	62.4	Low	48.3	Very low	37 Å²	37	101.7 Å²	101.7	25%	0.25	65%	0.653	C	S	.	*	S	Bend	trans	-68.5	-46.9	179.2	164.6	0	0	0	0	113.7	P706 C707 C724	P706-C738 HydrophobicContact CB-CB 4.49Å; C707-C738 WeakPolarHBondContact CA-SG 3.28Å; C707-C738 HydrophobicContact CB-CB 4.09Å; C707-C738 WeakPolarHBondContact CB-SG 3.47Å; C707-C738 VanDerWaalsContact SG-C 3.52Å; C707-C738 WeakPolarHBondContact SG-CA 3.38Å; C707-C738 WeakPolarHBondContact SG-CB 3.42Å; C707-C738 PolarHBondContact SG-O 2.81Å; C707-C738 CovalentContact SG-SG 2.04Å; C707-C738 PolarHBondContact SG-SG 3.05Å; C724-C738 PolarHBondContact SG-O 3.49Å; C724-C738 VanDerWaalsContact SG-SG 3.62Å
739	C	60.2	Low	47.2	Very low	57 Å²	57	105.5 Å²	105.5	39%	0.385	67%	0.668	S	S	.	*	S	Bend	trans	-120.6	131.5	-175.8	-54.8	0	0	0	0	110.9	C724 S741	C724-C739 WeakPolarHBondContact CA-SG 3.21Å; C724-C739 HydrophobicContact CB-CB 3.87Å; C724-C739 WeakPolarHBondContact CB-SG 3.22Å; C724-C739 WeakPolarHBondContact SG-CA 3.45Å; C724-C739 WeakPolarHBondContact SG-CB 3.47Å; C724-C739 CovalentContact SG-SG 2.04Å; C724-C739 PolarHBondContact SG-SG 2.91Å; C739-S741 PolarHBondContact O-N 2.85Å
740	S	57.4	Low	46.3	Very low	62 Å²	62	107.4 Å²	107.4	43%	0.434	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-62	123.4	-176.9	-44.9	0	0	0	0	112.7
741	S	49	Very low	45.3	Very low	101 Å²	101	106.1 Å²	106.1	71%	0.706	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-89	127.5	171.1	48.3	0	0	0	0	110.7	C739	C739-S741 PolarHBondContact O-N 2.85Å
742	C	49.5	Very low	44.6	Very low	97 Å²	97	109.5 Å²	109.5	66%	0.655	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-79.4	142.4	171.3	-61.8	0	0	0	0	109.8
743	P	42.7	Very low	43.9	Very low	123 Å²	123	112.2 Å²	112.2	80%	0.799	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-78.8	129.7	-171.2	30.2	-35	0	0	0	113.2
744	D	33.8	Very low	43	Very low	155 Å²	155	108.9 Å²	108.9	83%	0.829	65%	0.65	S	S	*	*			trans	-143.2	110.6	154.5	-102.7	-39	0	0	0	110.2
745	S	33.3	Very low	42.1	Very low	96 Å²	96	110.8 Å²	110.8	67%	0.671	66%	0.66	S	S	*	*			trans	46.6	122.8	154.4	63.7	0	0	0	0	123.4
746	L	31.9	Very low	41.4	Very low	155 Å²	155	110 Å²	110	81%	0.812	66%	0.658	S	S	*	*			trans	76.5	98.9	136.9	-60.5	165.8	0	0	0	122.2
747	S	27.4	Very low	40.4	Very low	97 Å²	97	111.3 Å²	111.3	68%	0.678	66%	0.662	S	S	*	*				38.4	164	108.1	72.7	0	0	0	0	123
748	P	53.5	Low	39.5	Very low	102 Å²	102	116 Å²	116	66%	0.662	68%	0.68	S	S	*	*			cis	-142.8	-157.4	-25.7	29.4	-3.3	0	0	0	114.9
749	L	29.6	Very low	38	Very low	138 Å²	138	117.5 Å²	117.5	72%	0.723	70%	0.703	S	S	*	*			trans	89.5	146.3	156.4	-46.2	-178.4	0	0	0	119.2
750	E	30.7	Very low	36.7	Very low	149 Å²	149	121.9 Å²	121.9	70%	0.696	72%	0.722	S	S	*	*			cis	-162.8	162.5	-9.7	-115.6	172.9	150.2	0	0	115.7
751	E	30.3	Very low	35.6	Very low	132 Å²	132	125.2 Å²	125.2	62%	0.617	74%	0.74	S	S	*	*			trans	37.9	123.6	147.2	-56.2	-114.7	126	0	0	122.4
752	K	33.8	Very low	34.7	Very low	143 Å²	143	124.1 Å²	124.1	62%	0.622	74%	0.736	S	S	*	*				66.3	154.9	87.6	-67.5	151.8	69.3	-147.6	0	115.2
753	Q	33.8	Very low	33.6	Very low	152 Å²	152	129 Å²	129	71%	0.71	75%	0.747	S	S	*	*			cis	-164.4	176.7	-7.7	-113.8	172.7	-110.2	0	0	107.6
754	G	30.7	Very low	32.9	Very low	66 Å²	66	128 Å²	128	68%	0.68	74%	0.743	S	S	*	*			cis	151.3	161.6	-4.6	0	0	0	0	0	113.6
755	L	32.8	Very low	32.6	Very low	170 Å²	170	130.1 Å²	130.1	89%	0.89	75%	0.745	S	S	*	*			trans	78.8	168.8	165.3	-69	156.5	0	0	0	120.8
756	S	32.8	Very low	32.5	Very low	115 Å²	115	130.2 Å²	130.2	80%	0.804	75%	0.751	S	S	*	*			trans	-160.7	154.8	-162.9	167.4	0	0	0	0	112.2
757	A	35.8	Very low	32.3	Very low	90 Å²	90	127 Å²	127	74%	0.744	75%	0.748	S	S	*	*			trans	-177.5	118.6	151.7	0	0	0	0	0	118
758	H	39.1	Very low	32.3	Very low	198 Å²	198	133.8 Å²	133.8	92%	0.917	76%	0.758	S	S	*	*			trans	39.4	137.1	131.1	-88.2	-85.7	0	0	0	127.9
759	G	29.3	Very low	31	Very low	70 Å²	70	133.7 Å²	133.7	72%	0.722	76%	0.76	S	S	*	*			trans	125	154.1	132.5	0	0	0	0	0	118.2
760	N	34	Very low	30.8	Very low	148 Å²	148	134.3 Å²	134.3	79%	0.791	76%	0.763	S	S	*	*			cis	-170.5	143.1	-22.7	-148.6	7.6	0	0	0	111.8
761	V	32.8	Very low	30.8	Very low	133 Å²	133	135.7 Å²	135.7	81%	0.806	77%	0.769	S	S	*	*			trans	61.7	143.1	158.6	172.8	0	0	0	0	119.7
762	A	31.8	Very low	30.4	Very low	77 Å²	77	132.8 Å²	132.8	64%	0.636	78%	0.775	S	S	*	*			cis	-171.6	174.6	-24.5	0	0	0	0	0	112.8
763	F	25.8	Very low	30.5	Very low	199 Å²	199	133.3 Å²	133.3	87%	0.873	78%	0.784	S	S	*	*			trans	88.3	128.8	155.1	-92.7	-79.5	0	0	0	125
764	S	27.6	Very low	30.1	Very low	102 Å²	102	132.8 Å²	132.8	71%	0.713	79%	0.791	S	S	*	*			trans	72.2	89.4	148.5	43.8	0	0	0	0	124.8
765	K	28.2	Very low	29.8	Very low	200 Å²	200	138.6 Å²	138.6	87%	0.87	80%	0.801	S	S	*	*				68.9	97.8	106	-161.6	178.7	-171.8	178.6	0	122.2
766	A	30.9	Very low	30.2	Very low	98 Å²	98	135 Å²	135	81%	0.81	80%	0.796	S	S	*	*			trans	68.6	154.4	143.5	0	0	0	0	0	118.9
767	A	28.3	Very low	30.7	Very low	89 Å²	89	134.8 Å²	134.8	74%	0.736	79%	0.792	S	S	*	*			cis	-155.6	176.8	9.2	0	0	0	0	0	113.2
768	R	26.8	Very low	30.5	Very low	239 Å²	239	136.9 Å²	136.9	90%	0.902	80%	0.795	S	S	*	*			trans	76.1	106	157.5	-76.1	-177.6	170.6	151.1	-2.8	121.6
769	S	25.8	Very low	29.9	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	79%	0.79	S	S	*	*				83.3	120.6	99.6	-161.4	0	0	0	0	122.6
770	L	26.5	Very low	29.9	Very low	151 Å²	151	136.7 Å²	136.7	79%	0.791	79%	0.792	S	S	*	*			trans	78.1	123.5	147	-113	75.8	0	0	0	122.3
771	H	29.4	Very low	29.8	Very low	178 Å²	178	135 Å²	135	82%	0.824	79%	0.791	S	S	*	*			trans	55.5	127	143.5	-106.6	-51.9	0	0	0	121.6
772	G	23	Very low	29.9	Very low	71 Å²	71	133.2 Å²	133.2	73%	0.732	79%	0.785	S	S	*	*			trans	160	81.2	159	0	0	0	0	0	114
773	D	34.4	Very low	29.8	Very low	154 Å²	154	135.1 Å²	135.1	82%	0.824	79%	0.792	S	S	*	*			trans	-75.3	132.8	165.2	-66.2	-73.2	0	0	0	110.1
774	T	25.5	Very low	30	Very low	141 Å²	141	132.4 Å²	132.4	87%	0.865	79%	0.792	S	S	*	*			trans	-153.5	148.2	164	-55.5	0	0	0	0	108.9
775	E	25.1	Very low	29.8	Very low	189 Å²	189	131.1 Å²	131.1	88%	0.883	80%	0.795	S	S	*	*			trans	-77.2	165.6	-159.4	-66.1	169.4	90.7	0	0	116.3
776	A	41.7	Very low	29.7	Very low	95 Å²	95	128.3 Å²	128.3	79%	0.785	80%	0.795	S	S	*	*			trans	-76.5	177.8	171.3	0	0	0	0	0	112.6
777	P	42.5	Very low	30.9	Very low	110 Å²	110	128.8 Å²	128.8	71%	0.714	79%	0.789	S	S	*	*			trans	-132.5	133.2	156.4	33.2	-17.7	0	0	0	115.2
778	V	32.6	Very low	30.7	Very low	133 Å²	133	132.5 Å²	132.5	81%	0.806	80%	0.795	S	S	*	*			trans	75.3	141.8	134	174.3	0	0	0	0	116.3
779	N	26	Very low	30.8	Very low	154 Å²	154	125.4 Å²	125.4	82%	0.824	79%	0.788	S	S	*	*			cis	-139.1	173.7	23.1	-148.7	-10	0	0	0	114.7
780	C	29.9	Very low	31	Very low	111 Å²	111	126.1 Å²	126.1	75%	0.75	79%	0.793	S	S	*	*			trans	-145.4	150.2	-172.8	-176.5	0	0	0	0	114
781	S	32.2	Very low	31	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	80%	0.796	S	S	*	*			trans	-178.6	145.1	154.8	18.8	0	0	0	0	110.8
782	S	34.7	Very low	31	Very low	96 Å²	96	123.5 Å²	123.5	67%	0.671	79%	0.793	S	S	*	*			cis	-172.5	133.9	-14	48.6	0	0	0	0	113.3
783	C	29.1	Very low	31.1	Very low	118 Å²	118	127.8 Å²	127.8	80%	0.797	79%	0.787	S	S	*	*			trans	66.5	152.1	145.2	-61.3	0	0	0	0	120.5
784	T	29.7	Very low	31.8	Very low	142 Å²	142	125.8 Å²	125.8	87%	0.871	78%	0.783	S	S	*	*			cis	-169	154.1	-3.2	16.1	0	0	0	0	111.9
785	G	24	Very low	31.9	Very low	75 Å²	75	123 Å²	123	77%	0.773	77%	0.774	S	S	*	*			trans	149.9	143.7	157.5	0	0	0	0	0	118.8
786	T	25.6	Very low	32	Very low	140 Å²	140	122 Å²	122	86%	0.859	77%	0.774	S	S	*	*			trans	-157.1	-175.7	177.1	61.6	0	0	0	0	110.1
787	P	56.5	Low	31.4	Very low	108 Å²	108	125.1 Å²	125.1	70%	0.701	77%	0.772	S	S	*	*			cis	-130.2	-160.7	-26.2	35.8	-14.5	0	0	0	113.2
788	I	24.7	Very low	30.7	Very low	167 Å²	167	125.9 Å²	125.9	86%	0.856	77%	0.77	S	S	*	*			trans	147.6	155.7	143.7	-76	161.3	0	0	0	115.2
789	A	28.3	Very low	30.5	Very low	90 Å²	90	126 Å²	126	74%	0.744	77%	0.765	S	S	*	*			trans	-153.4	171.3	179.7	0	0	0	0	0	113.3
790	S	29.6	Very low	30.6	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	76%	0.761	S	S	*	*			trans	172.2	163.3	154.7	46.6	0	0	0	0	119.5
791	L	27.1	Very low	30.4	Very low	166 Å²	166	127.4 Å²	127.4	87%	0.869	76%	0.759	S	S	*	*			trans	74	167.8	158.3	-105.7	63.5	0	0	0	120
792	S	29.8	Very low	30.1	Very low	109 Å²	109	129.7 Å²	129.7	76%	0.762	76%	0.762	S	S	*	*			cis	-158.8	176.7	3.6	37.5	0	0	0	0	114.3
793	R	25.2	Very low	29.8	Very low	161 Å²	161	131.7 Å²	131.7	61%	0.608	76%	0.764	S	S	*	*			trans	-165.4	-174.4	-179.7	-108.1	-174.6	168.5	-141.7	-16.1	111	L823	R793-L823 PolarHBondContact NH2-O 3.5Å
794	P	48	Very low	29.7	Very low	111 Å²	111	136.4 Å²	136.4	72%	0.721	77%	0.765	S	S	*	*			cis	-138	-165	-44.8	41.4	-22.4	0	0	0	114.6
795	A	28.5	Very low	29.7	Very low	84 Å²	84	134.5 Å²	134.5	69%	0.694	75%	0.754	S	S	*	*			trans	130.1	134.1	133.9	0	0	0	0	0	123
796	L	26.6	Very low	29.9	Very low	167 Å²	167	137.6 Å²	137.6	87%	0.874	75%	0.752	S	S	*	*			trans	52.9	166.5	151.8	-82.1	92.3	0	0	0	123.8
797	H	28.8	Very low	30	Very low	160 Å²	160	137.5 Å²	137.5	74%	0.741	75%	0.746	S	S	*	*			cis	-174.8	151.6	-46.8	-156.2	-141.6	0	0	0	113.8
798	L	27.5	Very low	28.5	Very low	127 Å²	127	138.1 Å²	138.1	67%	0.665	75%	0.748	S	S	*	*			trans	80.1	126.2	149.3	-136.9	91.3	0	0	0	124.8
799	L	27.9	Very low	28.6	Very low	135 Å²	135	139 Å²	139	71%	0.707	75%	0.745	S	S	*	*			trans	67.8	116.5	139.6	-120.5	70.9	0	0	0	124.9
800	Q	29.4	Very low	28.4	Very low	158 Å²	158	139.4 Å²	139.4	74%	0.738	74%	0.739	S	S	*	*				162.8	131.2	98	-91.9	-160.7	-19.5	0	0	117
801	L	26.4	Very low	28.2	Very low	137 Å²	137	142.2 Å²	142.2	72%	0.717	74%	0.74	S	S	*	*			trans	35	120.6	137	-83.9	149	0	0	0	122.9
802	L	25.6	Very low	28	Very low	159 Å²	159	139.9 Å²	139.9	83%	0.832	73%	0.732	S	S	*	*				-175.5	174.3	99.7	-102	173.2	0	0	0	114.4
803	L	27.3	Very low	27.7	Very low	137 Å²	137	142.4 Å²	142.4	72%	0.717	74%	0.736	S	S	*	*			trans	-85.8	156.7	-177.4	-63.2	70.5	0	0	0	112.6
804	R	27.9	Very low	28.2	Very low	217 Å²	217	140.2 Å²	140.2	82%	0.819	74%	0.743	S	S	*	*				160.1	131.3	88.5	-134.9	-175.8	-174.7	175.2	0.9	115.3
805	T	29.4	Very low	27.2	Very low	103 Å²	103	141 Å²	141	63%	0.632	75%	0.746	S	S	*	*			trans	52.9	119.2	143.5	46.6	0	0	0	0	123.8
806	N	26.9	Very low	27.1	Very low	139 Å²	139	142 Å²	142	74%	0.743	75%	0.748	S	S	*	*				124.4	128	107.8	-88.2	-5.1	0	0	0	121.7
807	L	28.2	Very low	27.7	Very low	139 Å²	139	139.7 Å²	139.7	73%	0.728	74%	0.743	S	S	*	*			trans	84.6	125.5	141.4	-99	76.6	0	0	0	124.2
808	T	25.7	Very low	27.5	Very low	121 Å²	121	137.1 Å²	137.1	74%	0.742	75%	0.749	S	S	*	*			trans	71.6	92.4	142.1	45.9	0	0	0	0	123.7
809	K	25.6	Very low	27.4	Very low	184 Å²	184	134.4 Å²	134.4	80%	0.8	75%	0.752	S	S	*	*				78.9	127.1	109.7	-152.3	-173.5	176.3	-177.5	0	121.7
810	T	25.1	Very low	27.3	Very low	100 Å²	100	132.3 Å²	132.3	61%	0.613	75%	0.754	S	S	*	*			trans	69.2	118.4	156	35.1	0	0	0	0	121.7
811	Q	25.8	Very low	27.1	Very low	173 Å²	173	133.2 Å²	133.2	81%	0.808	76%	0.763	S	S	*	*			trans	57.3	140.4	137.8	-63.8	177.5	-28.1	0	0	119.9
812	T	23.2	Very low	27	Very low	116 Å²	116	129.3 Å²	129.3	71%	0.712	76%	0.756	S	S	*	*			cis	-167.5	144.3	-8.3	14.8	0	0	0	0	109.6
813	L	23.6	Very low	27.1	Very low	163 Å²	163	128 Å²	128	85%	0.853	75%	0.749	S	S	*	*			trans	60.7	168.5	165.9	-98.5	67.5	0	0	0	117.6
814	P	34.8	Very low	27.1	Very low	115 Å²	115	128 Å²	128	75%	0.747	75%	0.745	S	S	*	*			cis	-126.9	173.8	-18.4	31	-11.2	0	0	0	115.7
815	T	26.6	Very low	27.7	Very low	128 Å²	128	122.6 Å²	122.6	79%	0.785	74%	0.741	S	S	*	*			trans	-41.2	148.6	178.2	-40.1	0	0	0	0	120
816	S	26.7	Very low	28	Very low	105 Å²	105	123.8 Å²	123.8	73%	0.734	75%	0.75	S	S	*	*			trans	134.6	157.9	139.2	-63.9	0	0	0	0	115
817	P	39.2	Very low	28.1	Very low	117 Å²	117	121.3 Å²	121.3	76%	0.76	75%	0.749	S	S	*	*			cis	-137.4	-175	-39.1	39.5	-22.8	0	0	0	113.8
818	A	24.9	Very low	28.1	Very low	106 Å²	106	123.1 Å²	123.1	88%	0.876	76%	0.759	S	S	*	*			trans	66.9	154.5	164.2	0	0	0	0	0	119
819	G	24.8	Very low	28	Very low	71 Å²	71	120.5 Å²	120.5	73%	0.732	76%	0.755	S	S	*	*			cis	167.1	151.2	-12	0	0	0	0	0	115.2
820	A	26	Very low	29.3	Very low	91 Å²	91	117.3 Å²	117.3	75%	0.752	75%	0.753	S	S	*	*			trans	66.1	120.9	157.2	0	0	0	0	0	122.9
821	L	25.6	Very low	29.3	Very low	177 Å²	177	119.5 Å²	119.5	93%	0.927	77%	0.767	S	S	*	*			trans	59.6	149.9	132.9	-55.3	171.4	0	0	0	121
822	G	23.9	Very low	29.3	Very low	55 Å²	55	114.5 Å²	114.5	57%	0.567	76%	0.761	S	S	*	*			cis	156.2	152.5	-7.4	0	0	0	0	0	114.4
823	L	28.1	Very low	29.3	Very low	131 Å²	131	115.9 Å²	115.9	69%	0.686	77%	0.77	S	S	*	*			trans	68.2	157	163.9	-81.5	46.8	0	0	0	116.6	R793	R793-L823 PolarHBondContact NH2-O 3.5Å
824	H	27.6	Very low	29.4	Very low	137 Å²	137	117.6 Å²	117.6	63%	0.634	77%	0.771	S	S	*	*			cis	-160.3	158.8	10.2	-121.7	-34.9	0	0	0	109.8
825	S	40	Very low	29.8	Very low	103 Å²	103	118 Å²	118	72%	0.72	77%	0.774	S	S	*	*			trans	-69.3	178.1	165.6	-25.4	0	0	0	0	113.5
826	P	35.9	Very low	29.6	Very low	129 Å²	129	115.7 Å²	115.7	84%	0.838	78%	0.775	S	S	*	*			trans	-129.3	175.4	139.2	39.1	-30	0	0	0	112.9
827	A	28.6	Very low	29.6	Very low	87 Å²	87	119.3 Å²	119.3	72%	0.719	78%	0.78	S	S	*	*			trans	-148.4	178.2	175.3	0	0	0	0	0	111.4
828	L	27.7	Very low	29.6	Very low	177 Å²	177	119.1 Å²	119.1	93%	0.927	78%	0.779	S	S	*	*			trans	78.1	140	178.5	-60.2	111.2	0	0	0	118.2
829	G	23.8	Very low	29.6	Very low	65 Å²	65	117.2 Å²	117.2	67%	0.67	77%	0.77	S	S	*	*			trans	-116.7	-137.5	158.6	0	0	0	0	0	108.6
830	P	53.5	Low	29.7	Very low	117 Å²	117	119 Å²	119	76%	0.76	78%	0.777	S	S	*	*			cis	-131.9	176.4	-13	41.2	-26.3	0	0	0	113.3
831	T	25.4	Very low	29.9	Very low	147 Å²	147	120.1 Å²	120.1	90%	0.902	78%	0.78	S	S	*	*			trans	158.3	142.4	134.5	38.5	0	0	0	0	114.4
832	G	25.8	Very low	30.8	Very low	67 Å²	67	117.2 Å²	117.2	69%	0.691	77%	0.772	S	S	*	*			trans	103.4	115.1	134.7	0	0	0	0	0	122.1
833	T	23.7	Very low	30.9	Very low	146 Å²	146	125 Å²	125	90%	0.896	78%	0.784	S	S	*	*			trans	91	133.9	144.2	-17.9	0	0	0	0	120.7
834	F	24.7	Very low	30.7	Very low	198 Å²	198	125 Å²	125	87%	0.868	78%	0.784	S	S	*	*			trans	-103.7	-175.7	170.3	-81.3	-89.3	0	0	0	110.2
835	P	42.5	Very low	30.9	Very low	125 Å²	125	123.5 Å²	123.5	81%	0.812	79%	0.789	S	S	*	*			cis	-127.1	-174.5	-10.9	40.1	-24.2	0	0	0	113.7
836	G	23.7	Very low	30.9	Very low	78 Å²	78	124.8 Å²	124.8	80%	0.804	80%	0.795	S	S	*	*			trans	162.1	113.2	158.2	0	0	0	0	0	118
837	E	27.2	Very low	30.4	Very low	181 Å²	181	121.7 Å²	121.7	85%	0.846	79%	0.787	S	S	*	*			trans	-101.7	-178.9	157.5	-124.3	-141.4	115	0	0	108.4
838	P	39.1	Very low	31.3	Very low	113 Å²	113	123.5 Å²	123.5	73%	0.734	79%	0.791	S	S	*	*			cis	-137.8	-174.7	4.3	42.7	-25	0	0	0	115.9
839	G	24.6	Very low	31.2	Very low	66 Å²	66	119.7 Å²	119.7	68%	0.68	78%	0.779	S	S	*	*				122.9	119.5	124.7	0	0	0	0	0	122.6
840	A	25.3	Very low	31.3	Very low	108 Å²	108	123 Å²	123	89%	0.893	79%	0.787	S	S	*	*			trans	75.6	130.8	136.8	0	0	0	0	0	123.5
841	S	31.6	Very low	31.3	Very low	115 Å²	115	122.7 Å²	122.7	80%	0.804	79%	0.785	S	S	*	*			trans	-100.9	166	152.9	-39.7	0	0	0	0	110.1
842	P	43.5	Very low	32.1	Very low	116 Å²	116	122.1 Å²	122.1	75%	0.753	78%	0.783	S	S	*	*				-157	151.5	114.2	37	-18	0	0	0	119.5
843	R	26	Very low	32.2	Very low	219 Å²	219	122.6 Å²	122.6	83%	0.826	79%	0.788	S	S	*	*			trans	66.8	122.1	136.2	-75.5	-178.5	162.1	-126.6	-2.2	125.1
844	L	24.3	Very low	32.4	Very low	130 Å²	130	120.3 Å²	120.3	68%	0.681	78%	0.784	S	S	*	*				79.6	113.4	126	-65.9	168.8	0	0	0	123.6
845	S	31.4	Very low	33.1	Very low	107 Å²	107	116.4 Å²	116.4	75%	0.748	78%	0.778	S	S	*	*				35.3	141.3	116.8	-52.2	0	0	0	0	121.5
846	P	40.2	Very low	32.3	Very low	129 Å²	129	117.1 Å²	117.1	84%	0.838	78%	0.781	S	S	*	*				-149.2	-174.8	56.3	42.5	-22.6	0	0	0	118.2
847	G	26.3	Very low	32.4	Very low	65 Å²	65	121.2 Å²	121.2	67%	0.67	78%	0.783	S	S	*	*			trans	-94.4	-161	163	0	0	0	0	0	112.7
848	P	47.7	Very low	33	Very low	125 Å²	125	118.3 Å²	118.3	81%	0.812	78%	0.78	S	S	*	*			cis	-152.3	-165.7	38.4	41.9	-18.6	0	0	0	118.5
849	S	24.3	Very low	32.3	Very low	96 Å²	96	120.8 Å²	120.8	67%	0.671	79%	0.786	S	S	*	*			trans	87.7	98.5	141.5	55.6	0	0	0	0	126.6
850	T	25.6	Very low	32.4	Very low	136 Å²	136	122 Å²	122	83%	0.834	79%	0.79	S	S	*	*				65	174.2	116.7	1.1	0	0	0	0	122.8
851	P	54.1	Low	32.6	Very low	110 Å²	110	122.2 Å²	122.2	71%	0.714	79%	0.785	S	S	*	*				-128.9	173.9	-115.6	45.4	-28.1	0	0	0	118.7
852	P	43.5	Very low	33.1	Very low	135 Å²	135	123.2 Å²	123.2	88%	0.877	79%	0.789	S	S	*	*				-130	-175.3	127.7	39.2	-29.8	0	0	0	111.5
853	G	26.2	Very low	32.4	Very low	76 Å²	76	121.1 Å²	121.1	78%	0.784	79%	0.788	S	S	*	*			cis	169.5	161.7	-6.6	0	0	0	0	0	111.9
854	A	28.3	Very low	32.8	Very low	99 Å²	99	115.3 Å²	115.3	82%	0.818	79%	0.787	S	S	*	*			trans	-153.7	152.1	172.4	0	0	0	0	0	110.8
855	P	39.5	Very low	34	Very low	115 Å²	115	115.6 Å²	115.6	75%	0.747	80%	0.796	S	S	*	*				-161.4	177.5	93.9	39.5	-17.6	0	0	0	119.5
856	T	25	Very low	33.9	Very low	140 Å²	140	118.1 Å²	118.1	86%	0.859	80%	0.796	S	S	*	*			trans	80.1	154.3	147.4	31.1	0	0	0	0	125.3
857	L	26.6	Very low	34.9	Very low	164 Å²	164	116.8 Å²	116.8	86%	0.859	79%	0.788	S	S	*	*			trans	-96	-178.4	176.8	-73.6	165.1	0	0	0	111
858	P	39.5	Very low	36.9	Very low	120 Å²	120	119.4 Å²	119.4	78%	0.779	79%	0.793	S	S	*	*			cis	-149.9	-161.3	22.4	46.7	-23.9	0	0	0	118.9
859	L	25	Very low	37.5	Very low	166 Å²	166	118.5 Å²	118.5	87%	0.869	79%	0.787	S	S	*	*			trans	-26	169.2	160.9	-112.6	67.5	0	0	0	119.9
860	A	25.6	Very low	37.7	Very low	91 Å²	91	120.1 Å²	120.1	75%	0.752	79%	0.793	S	S	*	*			cis	-157.6	-169.2	16.6	0	0	0	0	0	115.5
861	S	29.6	Very low	37.9	Very low	112 Å²	112	119.7 Å²	119.7	78%	0.783	79%	0.79	S	S	*	*			trans	-86.9	-172.7	-171.5	-33.7	0	0	0	0	117.6
862	P	42.7	Very low	37.7	Very low	137 Å²	137	120.7 Å²	120.7	89%	0.89	80%	0.796	S	S	*	*				-140.5	-176.5	111.3	41.1	-29.6	0	0	0	114.8
863	G	28.8	Very low	37.1	Very low	71 Å²	71	120.9 Å²	120.9	73%	0.732	79%	0.786	S	S	*	*			trans	177.3	-158.3	176.6	0	0	0	0	0	115.7
864	A	34.3	Very low	37.4	Very low	98 Å²	98	124.6 Å²	124.6	81%	0.81	78%	0.782	S	S	*	*			trans	74	171.7	176.4	0	0	0	0	0	115.7
865	P	50.7	Low	37.3	Very low	135 Å²	135	123.7 Å²	123.7	88%	0.877	77%	0.77	S	S	*	*			cis	-108.4	141.8	41.3	36	-28.9	0	0	0	115.9
866	Q	29.3	Very low	36.5	Very low	161 Å²	161	128.2 Å²	128.2	75%	0.752	78%	0.778	S	S	*	*			trans	-156.7	127.2	172.6	-176.1	-95.2	-60.6	0	0	112.6
867	P	60.2	Low	36.6	Very low	100 Å²	100	126.9 Å²	126.9	65%	0.649	78%	0.775	S	S	*	*			trans	-128.8	-163.7	170	45.8	-33	0	0	0	110.9
868	P	68.2	Low	36.6	Very low	121 Å²	121	122.9 Å²	122.9	79%	0.786	77%	0.765	S	S	*	*			cis	-114.5	-67	-30.6	11	9.6	0	0	0	117.2
869	P	59.9	Low	36.1	Very low	106 Å²	106	123.3 Å²	123.3	69%	0.688	77%	0.771	S	S	*	*			trans	-126.3	-168.9	-166.2	44.3	-25.1	0	0	0	113
870	V	28.2	Very low	36.2	Very low	130 Å²	130	119.2 Å²	119.2	79%	0.788	77%	0.769	S	S	*	*			cis	-142.1	148	4.2	-154.2	0	0	0	0	109.4
871	T	29.9	Very low	36.3	Very low	127 Å²	127	119.4 Å²	119.4	78%	0.779	77%	0.771	S	S	*	*			trans	-151.7	168.5	169.9	51.2	0	0	0	0	111.9
872	P	51.4	Low	36.2	Very low	130 Å²	130	122 Å²	122	84%	0.844	77%	0.77	S	S	*	*				-142.4	-155.9	124.1	41	-27.5	0	0	0	112.8
873	E	30.8	Very low	35.4	Very low	140 Å²	140	122.8 Å²	122.8	65%	0.654	77%	0.765	S	S	*	*				-157	171.6	-103.1	-131.1	-65.3	-99.3	0	0	111
874	H	31	Very low	35.2	Very low	154 Å²	154	123.9 Å²	123.9	71%	0.713	77%	0.767	S	S	*	*			trans	81.3	150.2	162.7	-55.9	-43.6	0	0	0	119.7
875	S	27	Very low	34.7	Very low	79 Å²	79	124.7 Å²	124.7	55%	0.552	77%	0.767	S	S	*	*			cis	151.6	133.4	-46.5	62.9	0	0	0	0	111.3
876	F	23.8	Very low	33.5	Very low	210 Å²	210	129.4 Å²	129.4	92%	0.921	77%	0.768	S	S	*	*			trans	-179.5	-177.5	136.5	-106.8	-68.2	0	0	0	112.6
877	S	25.5	Very low	33.3	Very low	113 Å²	113	133.4 Å²	133.4	79%	0.79	78%	0.776	S	S	*	*			trans	-151.1	172	-153.3	-174	0	0	0	0	114.8
878	A	28.3	Very low	33	Very low	79 Å²	79	133.9 Å²	133.9	65%	0.653	78%	0.779	S	S	*	*			trans	119.3	113	145.2	0	0	0	0	0	120.3
879	S	28.2	Very low	32.5	Very low	129 Å²	129	133.6 Å²	133.6	90%	0.902	78%	0.777	S	S	*	*				57.7	129.8	123.6	-52.5	0	0	0	0	123.4
880	G	27.2	Very low	31.2	Very low	80 Å²	80	135.9 Å²	135.9	83%	0.825	78%	0.783	S	S	*	*			trans	154.2	125.7	140.6	0	0	0	0	0	119.6
881	A	27.8	Very low	32.4	Very low	96 Å²	96	135.2 Å²	135.2	79%	0.793	78%	0.781	S	S	*	*			trans	-71	177.1	173.5	0	0	0	0	0	113.8
882	Q	28	Very low	32.3	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	78%	0.777	S	S	*	*			cis	-169.6	176	1.3	-138.6	-180	24.6	0	0	111.6
883	I	24.9	Very low	31.1	Very low	155 Å²	155	132.8 Å²	132.8	80%	0.795	77%	0.772	S	S	*	*			trans	76.4	160	153.2	-71.9	163.5	0	0	0	118.2
884	A	25.1	Very low	31	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	78%	0.779	S	S	*	*			trans	-138.6	148.2	-159.2	0	0	0	0	0	116.4
885	S	24.2	Very low	31.1	Very low	116 Å²	116	132 Å²	132	81%	0.811	78%	0.777	S	S	*	*			trans	-172.7	119.8	155.6	49.6	0	0	0	0	108.5
886	R	23.9	Very low	31.5	Very low	234 Å²	234	133 Å²	133	88%	0.883	78%	0.779	S	S	*	*				69.8	79.2	66.7	-167.6	-174.7	-85.1	-131.5	-0.2	115.1
887	W	25.7	Very low	32.2	Very low	245 Å²	245	131.3 Å²	131.3	93%	0.928	77%	0.774	S	S	*	*			trans	47.2	162	130.2	-73.6	23	0	0	0	121.4
888	P	55.2	Low	33.2	Very low	110 Å²	110	129.8 Å²	129.8	71%	0.714	77%	0.769	S	S	*	*			cis	-123.6	-166.3	-18.6	39.3	-19.8	0	0	0	111
889	P	57.5	Low	33.7	Very low	115 Å²	115	131.9 Å²	131.9	75%	0.747	78%	0.779	S	S	*	*			cis	-144.3	-86.3	22.3	39.7	-13.8	0	0	0	122.2
890	L	32.8	Very low	34.1	Very low	153 Å²	153	130 Å²	130	80%	0.801	77%	0.771	S	S	*	*			trans	-156.6	172.6	-137.9	-78.3	176.4	0	0	0	112.1
891	P	53.1	Low	34.4	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	78%	0.777	S	S	*	*			cis	-136.7	174.4	17.4	42.4	-25	0	0	0	119.2
892	A	27.4	Very low	34.2	Very low	85 Å²	85	136 Å²	136	70%	0.702	78%	0.779	S	S	*	*			trans	76	139.9	152	0	0	0	0	0	120.9
893	T	26.7	Very low	34.4	Very low	121 Å²	121	135.4 Å²	135.4	74%	0.742	78%	0.779	S	S	*	*			cis	-171.8	140.1	-36.3	7.4	0	0	0	0	112.5
894	L	29	Very low	34.6	Very low	152 Å²	152	136 Å²	136	80%	0.796	78%	0.78	S	S	*	*			trans	67.2	155.2	158.1	-53.4	170.5	0	0	0	117.6
895	L	33.1	Very low	34.9	Very low	126 Å²	126	138.3 Å²	138.3	66%	0.66	78%	0.779	S	S	*	*			cis	-161.2	-176.6	-9.3	-114.9	172	0	0	0	112.7
896	T	35.1	Very low	36	Very low	99 Å²	99	138.3 Å²	138.3	61%	0.607	78%	0.776	S	S	*	*			trans	-48.8	163.9	175.5	49.6	0	0	0	0	118.6
897	E	37.8	Very low	36.3	Very low	175 Å²	175	131.9 Å²	131.9	82%	0.818	77%	0.768	S	S	*	*			cis	-166.1	-176.8	1	-110.1	-77.8	32.4	0	0	112.5
898	A	45.9	Very low	37.3	Very low	82 Å²	82	125.6 Å²	125.6	68%	0.678	76%	0.758	S	S	*	*			trans	-104.4	-153.8	178.3	0	0	0	0	0	114
899	S	39.5	Very low	36	Very low	122 Å²	122	125.4 Å²	125.4	85%	0.853	76%	0.76	S	S	*	*			cis	-168.1	-168	13.4	-157.1	0	0	0	0	113.9
900	A	36.5	Very low	34.8	Very low	90 Å²	90	129 Å²	129	74%	0.744	76%	0.764	S	S	*	*			trans	83.8	109.9	166.4	0	0	0	0	0	122.8
901	L	33.3	Very low	34.7	Very low	180 Å²	180	127.7 Å²	127.7	94%	0.942	76%	0.762	S	S	*	*			trans	39.8	117.5	151.6	-64.7	176.7	0	0	0	123.3
902	S	24.6	Very low	34	Very low	122 Å²	122	127.8 Å²	127.8	85%	0.853	76%	0.763	S	S	*	*				-169.6	173.7	113.4	-161.8	0	0	0	0	111.6
903	M	30.5	Very low	34.2	Very low	153 Å²	153	131.4 Å²	131.4	75%	0.754	77%	0.768	S	S	*	*			trans	-104.1	141.8	171.9	-80.1	-85.1	-79.7	0	0	111.6
904	M	30	Very low	34.1	Very low	167 Å²	167	131.2 Å²	131.2	82%	0.823	77%	0.768	S	S	*	*			trans	70	141.2	171.4	-83	60.7	-179.2	0	0	119.4
905	D	31.6	Very low	34.1	Very low	141 Å²	141	131 Å²	131	75%	0.754	77%	0.766	S	S	*	*			trans	-78.2	176.9	-177.9	-112.3	-49.1	0	0	0	112.8	S907	D905-S907 PolarHBondContact OD1-N 3.04Å
906	P	47.2	Very low	33.8	Very low	116 Å²	116	131.5 Å²	131.5	75%	0.753	77%	0.769	S	S	*	*			cis	-135.1	132	25.9	35.4	-13.9	0	0	0	119.3
907	S	30.1	Very low	33.4	Very low	100 Å²	100	130 Å²	130	70%	0.699	77%	0.773	S	S	*	*			trans	51.3	157.6	133.8	-72.1	0	0	0	0	123.3	D905	D905-S907 PolarHBondContact OD1-N 3.04Å
908	P	46.7	Very low	32.9	Very low	112 Å²	112	128.1 Å²	128.1	73%	0.727	77%	0.774	S	S	*	*			cis	-139.5	169.8	-28.5	39.6	-22.1	0	0	0	116.4
909	S	28.5	Very low	31.9	Very low	107 Å²	107	135 Å²	135	75%	0.748	78%	0.783	S	S	*	*			trans	99.1	126.5	144.3	82.8	0	0	0	0	123.6
910	K	31.2	Very low	31.2	Very low	190 Å²	190	135.2 Å²	135.2	83%	0.826	78%	0.778	S	S	*	*			trans	70	92.1	147.1	-68.9	178.7	178.2	177	0	123
911	T	30.4	Very low	30.7	Very low	126 Å²	126	138.8 Å²	138.8	77%	0.773	78%	0.784	S	S	*	*				1.9	157.8	119.3	57.7	0	0	0	0	120.2
912	P	40	Very low	30.2	Very low	118 Å²	118	134.9 Å²	134.9	77%	0.766	77%	0.772	S	S	*	*			cis	-119.2	-148.6	10.2	15.7	12.4	0	0	0	111.9
913	I	30.6	Very low	30.2	Very low	160 Å²	160	133.6 Å²	133.6	82%	0.821	76%	0.763	S	S	*	*			cis	-151.8	-178.2	13	-24.3	162.7	0	0	0	110.5
914	T	25	Very low	30	Very low	118 Å²	118	131.7 Å²	131.7	72%	0.724	76%	0.76	S	S	*	*			trans	-130.3	170.4	177.4	3.7	0	0	0	0	111.5
915	L	28.1	Very low	30.1	Very low	146 Å²	146	129.5 Å²	129.5	76%	0.764	76%	0.757	S	S	*	*				-172.3	176.2	65.4	-127.4	121.6	0	0	0	114.8
916	L	27.2	Very low	30	Very low	137 Å²	137	127 Å²	127	72%	0.717	75%	0.75	S	S	*	*			trans	-62.8	167.3	-166.1	-70.1	74.7	0	0	0	119.5
917	G	26.3	Very low	29.2	Very low	68 Å²	68	129.6 Å²	129.6	70%	0.701	75%	0.745	S	S	*	*			trans	-150.6	-20.5	179.3	0	0	0	0	0	123.4
918	T	27.1	Very low	29.2	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	75%	0.747	S	S	*	*			trans	67.7	142.2	174	71.6	0	0	0	0	122.6
919	R	25.6	Very low	28.3	Very low	227 Å²	227	130.9 Å²	130.9	86%	0.857	75%	0.745	S	S	*	*			trans	75.3	126.4	150.4	-86.5	-173.4	173.3	-176.4	-1.7	123.6
920	T	24.5	Very low	28.3	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	75%	0.75	S	S	*	*			trans	79.1	137.3	141.9	45.4	0	0	0	0	123.1
921	L	25.4	Very low	28.3	Very low	165 Å²	165	125.4 Å²	125.4	86%	0.864	74%	0.741	S	S	*	*			trans	84.5	120.6	152.2	-80.7	160.7	0	0	0	121.6
922	S	23.1	Very low	28.2	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	75%	0.745	S	S	*	*			trans	76.5	143.2	143.4	-155.1	0	0	0	0	120.3
923	S	25.1	Very low	27.6	Very low	95 Å²	95	126.2 Å²	126.2	66%	0.664	75%	0.747	S	S	*	*			trans	34.5	134.9	142.8	63.3	0	0	0	0	119.6
924	T	27.2	Very low	27.5	Very low	112 Å²	112	123.6 Å²	123.6	69%	0.687	75%	0.749	S	S	*	*				-166	171.8	56.7	47.3	0	0	0	0	112.3
925	T	31	Very low	27.6	Very low	122 Å²	122	124 Å²	124	75%	0.748	75%	0.752	S	S	*	*			trans	60.6	153.8	145.6	45.4	0	0	0	0	119.1
926	S	30.2	Very low	27.5	Very low	89 Å²	89	122.7 Å²	122.7	62%	0.622	75%	0.75	S	S	*	*			cis	-163.7	159.8	-15	-114.8	0	0	0	0	106
927	R	30.6	Very low	27.5	Very low	169 Å²	169	123.4 Å²	123.4	64%	0.638	75%	0.75	S	S	*	*				40.3	150.6	84.1	-55.5	178.3	154	-171.7	-8.1	115	E540	E540-R927 IonicContact OE2-CZ 2.72Å; E540-R927 IonicContact OE2-NH2 2.96Å; E540-R927 PolarHBondContact OE2-NH2 2.96Å
928	L	29.6	Very low	27.6	Very low	141 Å²	141	128.2 Å²	128.2	74%	0.738	75%	0.753	S	S	*	*			cis	-121.3	152.9	-7.1	-86.3	98.7	0	0	0	107.3
929	S	27	Very low	27.6	Very low	98 Å²	98	124.9 Å²	124.9	69%	0.685	75%	0.747	S	S	*	*				69.6	129.7	53.3	-39.6	0	0	0	0	115
930	A	30.1	Very low	28.5	Very low	103 Å²	103	119.9 Å²	119.9	85%	0.851	74%	0.743	S	S	*	*			trans	67.9	171.2	157.4	0	0	0	0	0	116.5
931	A	30	Very low	28.6	Very low	79 Å²	79	123 Å²	123	65%	0.653	75%	0.749	S	S	*	*			cis	-150.1	159.1	7	0	0	0	0	0	114.1
932	L	28.8	Very low	28.8	Very low	163 Å²	163	123.8 Å²	123.8	85%	0.853	75%	0.749	S	S	*	*			trans	36.4	113	138.5	-58.8	165.6	0	0	0	118.5
933	A	27.9	Very low	30.3	Very low	98 Å²	98	124.7 Å²	124.7	81%	0.81	75%	0.752	S	S	*	*				83.9	123.9	57.6	0	0	0	0	0	115.7
934	A	27.1	Very low	31.1	Very low	105 Å²	105	125.7 Å²	125.7	87%	0.868	76%	0.756	S	S	*	*			trans	-152.1	146	158.7	0	0	0	0	0	110.2
935	T	28.3	Very low	31.2	Very low	126 Å²	126	127.3 Å²	127.3	77%	0.773	77%	0.766	S	S	*	*			trans	-79	157.5	-179.8	50.2	0	0	0	0	112.1
936	T	26.1	Very low	31	Very low	119 Å²	119	125.2 Å²	125.2	73%	0.73	77%	0.768	S	S	*	*				-170.2	146.1	72.6	38.2	0	0	0	0	116.5
937	H	26.9	Very low	30.9	Very low	153 Å²	153	125.9 Å²	125.9	71%	0.708	78%	0.779	S	S	*	*			trans	62.3	136.8	142.3	-86.7	-99.5	0	0	0	125.9
938	H	29	Very low	30.7	Very low	168 Å²	168	123.8 Å²	123.8	78%	0.778	79%	0.791	S	S	*	*			trans	66.6	120.6	153.3	-65.7	-60.3	0	0	0	122.2
939	G	26.5	Very low	30.9	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	80%	0.8	S	S	*	*			trans	-102.9	-150.6	147.3	0	0	0	0	0	110.5
940	P	44.8	Very low	31	Very low	121 Å²	121	125.9 Å²	125.9	79%	0.786	81%	0.807	S	S	*	*			cis	-136.1	-158.2	4.2	39.2	-17.7	0	0	0	114.2
941	Q	26.6	Very low	31.6	Very low	190 Å²	190	130.6 Å²	130.6	89%	0.888	81%	0.812	S	S	*	*			trans	87.9	143.8	162.8	-73.5	-178.5	-27.9	0	0	122
942	Q	29.7	Very low	31.7	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	82%	0.821	S	S	*	*			trans	-91.5	-179.2	174.1	-63.1	160.2	-79.3	0	0	111.2
943	P	54.4	Low	31.9	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	81%	0.814	S	S	*	*			cis	-110.3	-90.8	-5.6	16.5	7.3	0	0	0	115.6
944	P	41.3	Very low	32.3	Very low	117 Å²	117	135 Å²	135	76%	0.76	82%	0.819	S	S	*	*			cis	-115	-130.7	7.4	44.5	-31.2	0	0	0	115.2
945	V	28.3	Very low	33.1	Very low	146 Å²	146	142.8 Å²	142.8	89%	0.885	84%	0.841	S	S	*	*			trans	-146.5	149.4	-168.7	160.3	0	0	0	0	108.9
946	G	27	Very low	33.3	Very low	78 Å²	78	143.6 Å²	143.6	80%	0.804	84%	0.844	S	S	*	*			trans	165	119.2	161.6	0	0	0	0	0	115.8
947	A	28.4	Very low	33.7	Very low	103 Å²	103	144.9 Å²	144.9	85%	0.851	85%	0.85	S	S	*	*			trans	-102.2	156.2	-178.8	0	0	0	0	0	113.4
948	S	27.5	Very low	34.1	Very low	125 Å²	125	144.4 Å²	144.4	87%	0.874	86%	0.858	S	S	*	*			trans	-176.3	154.5	139.2	48.4	0	0	0	0	112.9
949	Q	33.9	Very low	34.4	Very low	202 Å²	202	143.1 Å²	143.1	94%	0.944	86%	0.863	S	S	*	*			trans	-88.6	163.2	170.7	-62.1	166.2	-87.7	0	0	111.3
950	G	28.5	Very low	34.8	Very low	81 Å²	81	147.8 Å²	147.8	84%	0.835	87%	0.874	S	S	*	*			trans	170.4	89.1	167.9	0	0	0	0	0	114.7
951	E	41.8	Very low	34.2	Very low	201 Å²	201	149.6 Å²	149.6	94%	0.939	88%	0.879	S	S	*	*			trans	-83.6	147.8	159.7	-71.8	173.6	70.7	0	0	110.2
952	E	33.2	Very low	34.7	Very low	183 Å²	183	146.7 Å²	146.7	86%	0.855	88%	0.879	S	S	*	*				-162.7	140.8	129.7	-171.7	153.4	106.3	0	0	112.2
953	S	32.7	Very low	35.1	Very low	101 Å²	101	143.9 Å²	143.9	71%	0.706	88%	0.881	S	S	*	*			trans	54.5	89.3	159.1	-68.8	0	0	0	0	120.3
954	T	36	Very low	33.5	Very low	149 Å²	149	146.2 Å²	146.2	91%	0.914	89%	0.891	S	S	*	*				-152.4	141.5	92.9	-8.5	0	0	0	0	109.7
955	M	43.5	Very low	32.8	Very low	268 Å²	268	148.8 Å²	148.8	100%	1.32	90%	0.903	S	S	*	*			trans	-76.2	0	-174.5	-81.4	-176.1	163.5	0	0	113.8

Retrieved 955 of 955 residues in 1374.7 ms (Link to these results)

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