A0A077ZB23_TRITR Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZB23, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 805 aa.

						>A0A077ZB23_TRITR|A0A077ZB23
MFIYPSVPVDFDHLLSFHGLGDAEENENSLIPGGAFVAKLHLILFESHASNASDSDEGATIDDYVLFSQLVDELHGLFENRCWNSFPLCYYELVLCQLFCTSIEYVVSFVLCSISDVLHALRLQQYLSIADETRNSKPSDCESVVSDKVGNDSRSVKVSTAEIAEDTSTYCQLSNVRKGSMALPQRHRIRKTKVWAPAIEEGSPNDCDTSGLEFESSCLESSSQAKSSCQRRLTPEGSIQTPFSSFVDDGCASMEQKSFEGDNGPIDEKAALDVAFSLISANAENGQSSSTSLLCSPRRSSLDDAINSSAHLFEGNSSPCDAEKAESKFATRQDFTNQILNHLESVSEVLASYSDGLGKSEFKNDPESEKASRIFAPAILPSSNESRMANLEDGEVILESGEVVELAVHVFTEEAEQFYKMFRFYHDHQKGAFDIRHLVLTNQAVYVVNRSSIGDSALSFSRDFGAPYFKLSDISVGLGSQTITFNLAQGKGGYVVCTCSHQLTRAILSALEVSIRRHTAEGKSRPLLLKDSTKQRLAMSKWMSSELSSVPLPVSFYALVFWYPSIDQSCLSGLCFLGRSGFLYCRKLSKYRVWPRADEWTQDYFILRGQKLYQFEDSSCKVGKRVYNLREEVSGCREIEDYNYEFAFEVTLNSDGTALQFACSTRNEALQWMNSILQNSSNAEVSSATDGHCLACSCVLTDGYVFLGQETDDANFIRTLACLEFNCIQSVVAQSSDNCAILDVQTKNENNCGKWLLSFAAAQELHAFVKCLTTHLPKLHQESLDSESELSSLCNAAAKRWKASV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	32	Very low	207 Å²	207	140.3 Å²	140.3	100%	1.02	74%	0.737	S	S	*	*				0	138.8	0	-172.7	175.6	-175	0	0	107.1
2	F	30.4	Very low	32.2	Very low	170 Å²	170	138.9 Å²	138.9	75%	0.746	73%	0.731	S	S	*	*			trans	63	141.8	-159	-71	-80.8	0	0	0	114.9
3	I	31.4	Very low	32.6	Very low	140 Å²	140	140.2 Å²	140.2	72%	0.718	73%	0.731	S	S	*	*			trans	-141.8	132.7	-167.7	-70.9	174.5	0	0	0	106.4	P5	I3-P5 VanDerWaalsContact CG2-CD 3.49Å; I3-P5 HydrophobicContact CG2-CG 4.31Å
4	Y	27.3	Very low	32.7	Very low	224 Å²	224	140.4 Å²	140.4	88%	0.878	73%	0.731	S	S	*	*			trans	-156.1	88.4	161.7	-103.2	-71.2	0	0	0	111.6
5	P	36.6	Very low	32.7	Very low	114 Å²	114	141.1 Å²	141.1	74%	0.74	74%	0.736	S	S	*	*			trans	-96	114.4	166.1	33.7	-28.4	0	0	0	109.6	I3	I3-P5 VanDerWaalsContact CG2-CD 3.49Å; I3-P5 HydrophobicContact CG2-CG 4.31Å
6	S	32.4	Very low	32.5	Very low	94 Å²	94	137.6 Å²	137.6	66%	0.657	73%	0.727	S	S	*	*			trans	-153.1	54.5	-177.6	65.3	0	0	0	0	115
7	V	30.7	Very low	32.5	Very low	123 Å²	123	142.2 Å²	142.2	75%	0.745	74%	0.74	S	S	*	*			trans	-139.3	110.2	151.1	-176	0	0	0	0	108.5	V9	V7-V9 HydrophobicContact CG1-CG2 4.47Å; V7-V9 PolarHBondContact O-N 2.91Å
8	P	32.9	Very low	32.4	Very low	128 Å²	128	145.4 Å²	145.4	83%	0.831	75%	0.75	S	S	*	*			trans	-74	117.6	162.6	30.2	-29.8	0	0	0	108.4	D10	P8-D10 PolarHBondContact O-N 3.36Å
9	V	32.1	Very low	32.3	Very low	98 Å²	98	141 Å²	141	59%	0.594	74%	0.744	S	S	*	*			trans	-82.6	108.8	170.1	179.5	0	0	0	0	107.7	V7 F11	V7-V9 HydrophobicContact CG1-CG2 4.47Å; V7-V9 PolarHBondContact O-N 2.91Å; V9-F11 HydrophobicContact CB-CD2 4.32Å; V9-F11 HydrophobicContact CB-CE2 3.86Å; V9-F11 HydrophobicContact CB-CZ 4.5Å; V9-F11 HydrophobicContact CG1-CD2 3.98Å; V9-F11 HydrophobicContact CG1-CE1 4.47Å; V9-F11 HydrophobicContact CG1-CE2 3.59Å; V9-F11 HydrophobicContact CG1-CZ 3.86Å; V9-F11 VanDerWaalsContact O-CD2 3.27Å; V9-F11 WeakPolarHBondContact O-CD2 3.44Å; V9-F11 PolarHBondContact O-N 3.41Å
10	D	30.3	Very low	32.2	Very low	112 Å²	112	143.4 Å²	143.4	60%	0.599	76%	0.756	S	S	*	*			trans	-72.9	117.8	172.7	-170.3	-17	0	0	0	109.6	P8 D12	P8-D10 PolarHBondContact O-N 3.36Å; D10-D12 PolarHBondContact OD1-N 2.93Å
11	F	37.6	Very low	32.1	Very low	133 Å²	133	139.7 Å²	139.7	58%	0.583	75%	0.752	S	S	*	*			trans	-97	-6.5	-176.9	-84.5	-83	0	0	0	113.8	V9 H13 L14	V9-F11 HydrophobicContact CB-CD2 4.32Å; V9-F11 HydrophobicContact CB-CE2 3.86Å; V9-F11 HydrophobicContact CB-CZ 4.5Å; V9-F11 HydrophobicContact CG1-CD2 3.98Å; V9-F11 HydrophobicContact CG1-CE1 4.47Å; V9-F11 HydrophobicContact CG1-CE2 3.59Å; V9-F11 HydrophobicContact CG1-CZ 3.86Å; V9-F11 VanDerWaalsContact O-CD2 3.27Å; V9-F11 WeakPolarHBondContact O-CD2 3.44Å; V9-F11 PolarHBondContact O-N 3.41Å; F11-H13 PolarHBondContact O-N 3.03Å; F11-H13 VanDerWaalsContact O-N 3.11Å; F11-L14 HydrophobicContact CD1-CD1 4.02Å; F11-L14 HydrophobicContact CE1-CD1 4.29Å; F11-L14 PolarHBondContact O-N 3.01Å
12	D	35.2	Very low	32.2	Very low	124 Å²	124	138.1 Å²	138.1	66%	0.663	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-64.4	-22.2	-174.5	-81.4	-6.4	0	0	0	112.6	D10 L14	D10-D12 PolarHBondContact OD1-N 2.93Å; D12-L14 VanDerWaalsContact C-N 3.29Å; D12-L14 PolarHBondContact O-N 3.11Å
13	H	36.4	Very low	32.3	Very low	156 Å²	156	134.8 Å²	134.8	72%	0.722	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-74.3	-6.4	174.3	-73.4	-41.4	0	0	0	115.7	F11	F11-H13 PolarHBondContact O-N 3.03Å; F11-H13 VanDerWaalsContact O-N 3.11Å
14	L	35.1	Very low	32.5	Very low	142 Å²	142	137.4 Å²	137.4	74%	0.743	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-95.7	-2.3	175	-81.8	169.6	0	0	0	114.4	F11 D12	F11-L14 HydrophobicContact CD1-CD1 4.02Å; F11-L14 HydrophobicContact CE1-CD1 4.29Å; F11-L14 PolarHBondContact O-N 3.01Å; D12-L14 VanDerWaalsContact C-N 3.29Å; D12-L14 PolarHBondContact O-N 3.11Å
15	L	32.4	Very low	32.7	Very low	152 Å²	152	135.9 Å²	135.9	80%	0.796	76%	0.762	S	S	*	*	S	Bend	trans	-103.5	0.5	-178.3	-69.4	172.2	0	0	0	114.4
16	S	29.2	Very low	32.4	Very low	84 Å²	84	137.4 Å²	137.4	59%	0.587	76%	0.764	S	S	*	*			trans	-102.9	66.7	-173.1	67.5	0	0	0	0	114.6
17	F	32.2	Very low	32.5	Very low	216 Å²	216	142 Å²	142	95%	0.947	78%	0.775	S	S	*	*			trans	-125.6	97.8	161.7	-105	-82.8	0	0	0	111.4
18	H	30.9	Very low	32.8	Very low	201 Å²	201	143.4 Å²	143.4	93%	0.931	78%	0.778	S	S	*	*			trans	-107.5	131.3	-175.8	-135.1	-66.6	0	0	0	109.8
19	G	29.7	Very low	32.7	Very low	61 Å²	61	142.6 Å²	142.6	63%	0.629	78%	0.775	S	S	*	*			trans	134.7	126.3	154.1	0	0	0	0	0	118
20	L	32.1	Very low	32.9	Very low	189 Å²	189	145.6 Å²	145.6	99%	0.99	79%	0.787	S	S	*	*			trans	69	125.9	156.5	-52	167.7	0	0	0	116.1
21	G	30	Very low	33.3	Very low	65 Å²	65	146.8 Å²	146.8	67%	0.67	79%	0.792	S	S	*	*			cis	-168.5	-177.8	0.4	0	0	0	0	0	111.9
22	D	30.6	Very low	33.5	Very low	175 Å²	175	145.1 Å²	145.1	94%	0.936	80%	0.795	S	S	*	*			trans	-64.2	129.8	-161.9	-46	-78.1	0	0	0	115.2
23	A	33	Very low	33.7	Very low	100 Å²	100	141.9 Å²	141.9	83%	0.826	79%	0.79	S	S	*	*			trans	-150.8	146.8	162	0	0	0	0	0	109.9
24	E	35.4	Very low	33.8	Very low	194 Å²	194	137.1 Å²	137.1	91%	0.907	78%	0.783	S	S	*	*			trans	-75.8	162.7	-160.2	-64.3	170.1	134.4	0	0	116
25	E	32.2	Very low	34.2	Very low	193 Å²	193	132.8 Å²	132.8	90%	0.902	77%	0.768	S	S	*	*			trans	-29.7	127.5	177.9	-58.2	174.9	154.3	0	0	116.9
26	N	31	Very low	35	Very low	146 Å²	146	130 Å²	130	78%	0.781	75%	0.75	S	S	*	*			trans	-155	129.4	156.3	-133	-43.2	0	0	0	111.8	N28	N26-N28 VanDerWaalsContact C-N 3.29Å; N26-N28 PolarHBondContact O-N 3.07Å
27	E	34.4	Very low	36	Very low	190 Å²	190	129.6 Å²	129.6	89%	0.888	74%	0.744	S	S	*	*	S	Bend	trans	-78.3	66.7	-174.8	-64.6	-173.5	129	0	0	112.6
28	N	35.7	Very low	36.5	Very low	152 Å²	152	122 Å²	122	81%	0.813	72%	0.721	S	S	*	*			trans	-158.6	27.8	174.5	-98.1	-55.5	0	0	0	113.9	N26	N26-N28 VanDerWaalsContact C-N 3.29Å; N26-N28 PolarHBondContact O-N 3.07Å
29	S	32	Very low	37.4	Very low	111 Å²	111	119.4 Å²	119.4	78%	0.776	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-68.5	135.1	-176.3	48.1	0	0	0	0	113.3
30	L	35.8	Very low	38.2	Very low	162 Å²	162	120 Å²	120	85%	0.848	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-58.6	137.7	178	-90.5	61.1	0	0	0	111.8	P32	L30-P32 WeakPolarHBondContact O-CD 3.35Å
31	I	37.9	Very low	38.8	Very low	137 Å²	137	116.4 Å²	116.4	70%	0.703	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-78.2	120.9	158.5	-62.4	175.9	0	0	0	107.2	A35	I31-A35 HydrophobicContact CG2-CB 3.78Å
32	P	43	Very low	39.6	Very low	98 Å²	98	117.8 Å²	117.8	64%	0.636	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-63.5	140.4	175.6	-21.3	33.7	0	0	0	111.3	L30 G34 A35	L30-P32 WeakPolarHBondContact O-CD 3.35Å; P32-G34 PolarHBondContact O-N 3.29Å; P32-A35 WeakPolarHBondContact O-CB 3.33Å; P32-A35 PolarHBondContact O-N 3.44Å
33	G	37.7	Very low	40.6	Very low	55 Å²	55	113.4 Å²	113.4	57%	0.567	64%	0.641	S	S	*	*	H	α-helix	trans	-54.4	-30.8	-171.9	0	0	0	0	0	115.4	A35 F36 V37	G33-A35 VanDerWaalsContact C-N 3.26Å; G33-A35 PolarHBondContact O-N 3.03Å; G33-F36 WeakPolarHBondContact O-CB 3.46Å; G33-F36 PolarHBondContact O-N 3.42Å; G33-F36 VanDerWaalsContact O-N 3.07Å; G33-V37 PolarHBondContact O-N 3.39Å; G33-V37 VanDerWaalsContact O-N 3.15Å
34	G	38.8	Very low	41.1	Very low	56 Å²	56	113.6 Å²	113.6	58%	0.577	63%	0.627	S	S	*	*	H	α-helix	trans	-59	-32.9	174.5	0	0	0	0	0	113.9	P32 V37 A38	P32-G34 PolarHBondContact O-N 3.29Å; G34-V37 PolarHBondContact O-N 2.9Å; G34-A38 WeakPolarHBondContact O-CB 3.36Å; G34-A38 PolarHBondContact O-N 3.49Å
35	A	45.3	Very low	41.4	Very low	51 Å²	51	110.9 Å²	110.9	42%	0.421	61%	0.613	S	S	.	*	H	α-helix	trans	-74.2	-24.9	176.7	0	0	0	0	0	112.9	I31 P32 G33 K39	I31-A35 HydrophobicContact CG2-CB 3.78Å; P32-A35 WeakPolarHBondContact O-CB 3.33Å; P32-A35 PolarHBondContact O-N 3.44Å; G33-A35 VanDerWaalsContact C-N 3.26Å; G33-A35 PolarHBondContact O-N 3.03Å; A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 PolarHBondContact O-N 2.92Å
36	F	47.3	Very low	42.2	Very low	94 Å²	94	107.8 Å²	107.8	41%	0.412	60%	0.598	S	S	.	*	H	α-helix	trans	-70.9	-48.3	169.8	179.9	-98.5	0	0	0	110.7	G33 A38 K39 L40	G33-F36 WeakPolarHBondContact O-CB 3.46Å; G33-F36 PolarHBondContact O-N 3.42Å; G33-F36 VanDerWaalsContact O-N 3.07Å; F36-A38 PolarHBondContact O-N 2.88Å; F36-K39 PolarHBondContact O-N 3.21Å; F36-L40 HydrophobicContact CE1-CD1 4.18Å; F36-L40 HydrophobicContact CZ-CD1 4.04Å; F36-L40 PolarHBondContact O-N 3.38Å
37	V	50.3	Low	42.6	Very low	76 Å²	76	103.9 Å²	103.9	46%	0.461	58%	0.582	S	S	.	*	H	α-helix	trans	-60.1	-46.3	177.4	177.9	0	0	0	0	111.3	G33 G34 K39 L40 H41	G33-V37 PolarHBondContact O-N 3.39Å; G33-V37 VanDerWaalsContact O-N 3.15Å; G34-V37 PolarHBondContact O-N 2.9Å; V37-K39 VanDerWaalsContact C-N 3.3Å; V37-K39 PolarHBondContact O-N 3.46Å; V37-L40 PolarHBondContact O-N 3.38Å; V37-H41 WeakPolarHBondContact O-CB 3.5Å; V37-H41 PolarHBondContact O-N 3.12Å
38	A	43.9	Very low	43	Very low	57 Å²	57	102.6 Å²	102.6	47%	0.471	58%	0.576	S	S	.	*	H	α-helix	trans	-59.2	-39.4	176.8	0	0	0	0	0	112.5	G34 F36 L42	G34-A38 WeakPolarHBondContact O-CB 3.36Å; G34-A38 PolarHBondContact O-N 3.49Å; F36-A38 PolarHBondContact O-N 2.88Å; A38-L42 WeakPolarHBondContact O-CB 3.4Å; A38-L42 PolarHBondContact O-N 3.35Å
39	K	48.3	Very low	43.4	Very low	146 Å²	146	98.8 Å²	98.8	64%	0.635	57%	0.566	S	S	*	*	H	α-helix	trans	-72.8	-37	178.6	-162.8	173.3	-174.9	-176.2	0	112.6	A35 F36 V37 L42 I43	A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 PolarHBondContact O-N 2.92Å; F36-K39 PolarHBondContact O-N 3.21Å; V37-K39 VanDerWaalsContact C-N 3.3Å; V37-K39 PolarHBondContact O-N 3.46Å; K39-L42 PolarHBondContact O-N 3.01Å; K39-I43 WeakPolarHBondContact O-CG1 3.27Å; K39-I43 PolarHBondContact O-N 3.39Å; K39-I43 VanDerWaalsContact O-N 3.12Å
40	L	47.7	Very low	43.7	Very low	73 Å²	73	97.1 Å²	97.1	38%	0.382	55%	0.554	S	S	.	*	H	α-helix	trans	-64.2	-42.4	173.5	-154.4	103.8	0	0	0	111	F36 V37 L42 I43 L44	F36-L40 HydrophobicContact CE1-CD1 4.18Å; F36-L40 HydrophobicContact CZ-CD1 4.04Å; F36-L40 PolarHBondContact O-N 3.38Å; V37-L40 PolarHBondContact O-N 3.38Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.49Å; L40-I43 PolarHBondContact O-N 2.76Å; L40-L44 HydrophobicContact CD2-CD1 4.18Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 2.76Å; L40-L44 VanDerWaalsContact O-N 3.07Å
41	H	44.7	Very low	43.7	Very low	114 Å²	114	96 Å²	96	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-67.2	-33.1	177.4	-157.3	-70.7	0	0	0	112.5	V37 F45	V37-H41 WeakPolarHBondContact O-CB 3.5Å; V37-H41 PolarHBondContact O-N 3.12Å; H41-F45 AromaticContact CE1-CD2 3.57Å; H41-F45 AromaticContact CE1-CE2 3.61Å; H41-F45 AromaticContact ND1-CD2 3.72Å; H41-F45 WeakPolarHBondContact O-CB 3.27Å; H41-F45 PolarHBondContact O-N 3.1Å; H41-F45 VanDerWaalsContact O-N 3.08Å
42	L	46.8	Very low	43.6	Very low	94 Å²	94	93.6 Å²	93.6	49%	0.492	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-49.4	172.2	-114.5	156.4	0	0	0	111.6	A38 K39 L40 L44 F45 E46	A38-L42 WeakPolarHBondContact O-CB 3.4Å; A38-L42 PolarHBondContact O-N 3.35Å; K39-L42 PolarHBondContact O-N 3.01Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 3.39Å; L42-F45 PolarHBondContact O-N 3.08Å; L42-F45 VanDerWaalsContact O-N 3.1Å; L42-E46 HydrophobicContact CD2-CG 4.1Å; L42-E46 PolarHBondContact O-N 2.92Å
43	I	51.4	Low	43.3	Very low	83 Å²	83	93.8 Å²	93.8	43%	0.426	55%	0.553	S	S	.	*	H	α-helix	trans	-60.4	-39.1	178.6	-67.3	164.1	0	0	0	111.4	K39 L40 S47	K39-I43 WeakPolarHBondContact O-CG1 3.27Å; K39-I43 PolarHBondContact O-N 3.39Å; K39-I43 VanDerWaalsContact O-N 3.12Å; L40-I43 PolarHBondContact O-N 2.76Å; I43-S47 PolarHBondContact O-N 3.2Å; I43-S47 PolarHBondContact O-OG 3.23Å
44	L	43.1	Very low	43.1	Very low	103 Å²	103	99.3 Å²	99.3	54%	0.539	57%	0.569	S	S	.	*	H	α-helix	trans	-73.3	-24	177	-70.1	169.8	0	0	0	113.9	L40 L42 S47	L40-L44 HydrophobicContact CD2-CD1 4.18Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 2.76Å; L40-L44 VanDerWaalsContact O-N 3.07Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 3.39Å; L44-S47 PolarHBondContact O-OG 3.47Å
45	F	43.2	Very low	43	Very low	138 Å²	138	101.7 Å²	101.7	61%	0.605	58%	0.578	S	S	*	*	H	α-helix	trans	-87.7	-38.7	175.7	-113.7	-96.2	0	0	0	112.8	H41 L42 S47 H48 A49	H41-F45 AromaticContact CE1-CD2 3.57Å; H41-F45 AromaticContact CE1-CE2 3.61Å; H41-F45 AromaticContact ND1-CD2 3.72Å; H41-F45 WeakPolarHBondContact O-CB 3.27Å; H41-F45 PolarHBondContact O-N 3.1Å; H41-F45 VanDerWaalsContact O-N 3.08Å; L42-F45 PolarHBondContact O-N 3.08Å; L42-F45 VanDerWaalsContact O-N 3.1Å; F45-S47 VanDerWaalsContact C-N 3.34Å; F45-S47 PolarHBondContact O-N 2.9Å; F45-H48 PolarHBondContact O-N 3.46Å; F45-A49 WeakPolarHBondContact O-CB 3.37Å; F45-A49 PolarHBondContact O-N 3.09Å
46	E	47.3	Very low	42.5	Very low	127 Å²	127	107.8 Å²	107.8	59%	0.593	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-34.1	-179.9	-72.4	-173.8	137.1	0	0	112.1	L42 H48 A49 S50	L42-E46 HydrophobicContact CD2-CG 4.1Å; L42-E46 PolarHBondContact O-N 2.92Å; E46-H48 VanDerWaalsContact C-N 3.33Å; E46-H48 PolarHBondContact O-N 3.27Å; E46-A49 PolarHBondContact O-N 2.92Å; E46-S50 PolarHBondContact O-N 2.91Å; E46-S50 PolarHBondContact O-OG 3.35Å
47	S	40.6	Very low	42	Very low	65 Å²	65	112.3 Å²	112.3	46%	0.455	63%	0.625	S	S	.	*	H	α-helix	trans	-69	-27.6	173.3	63.4	0	0	0	0	113.9	I43 L44 F45 S50	I43-S47 PolarHBondContact O-N 3.2Å; I43-S47 PolarHBondContact O-OG 3.23Å; L44-S47 PolarHBondContact O-OG 3.47Å; F45-S47 VanDerWaalsContact C-N 3.34Å; F45-S47 PolarHBondContact O-N 2.9Å; S47-S50 PolarHBondContact O-OG 2.73Å
48	H	43.4	Very low	41	Very low	163 Å²	163	111.9 Å²	111.9	76%	0.755	64%	0.636	S	S	*	*	H	α-helix	trans	-85.2	-25.7	173.9	-95.7	-69.4	0	0	0	113.3	F45 E46	F45-H48 PolarHBondContact O-N 3.46Å; E46-H48 VanDerWaalsContact C-N 3.33Å; E46-H48 PolarHBondContact O-N 3.27Å
49	A	42.4	Very low	40.5	Very low	72 Å²	72	113.8 Å²	113.8	60%	0.595	65%	0.652	S	S	*	*	H	α-helix	trans	-82.7	-24.5	180	0	0	0	0	0	113.7	F45 E46	F45-A49 WeakPolarHBondContact O-CB 3.37Å; F45-A49 PolarHBondContact O-N 3.09Å; E46-A49 PolarHBondContact O-N 2.92Å
50	S	39.5	Very low	39.8	Very low	75 Å²	75	111.2 Å²	111.2	52%	0.524	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-25.3	-175.4	59.1	0	0	0	0	114.9	E46 S47 A52	E46-S50 PolarHBondContact O-N 2.91Å; E46-S50 PolarHBondContact O-OG 3.35Å; S47-S50 PolarHBondContact O-OG 2.73Å; S50-A52 PolarHBondContact O-N 3.12Å
51	N	36.1	Very low	39.2	Very low	138 Å²	138	114.9 Å²	114.9	74%	0.738	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	29.4	-172.8	-69.5	-2.3	0	0	0	113.5
52	A	35.1	Very low	39	Very low	87 Å²	87	114.9 Å²	114.9	72%	0.719	67%	0.671	S	S	*	*			trans	-117.3	50	-177.1	0	0	0	0	0	113	S50	S50-A52 PolarHBondContact O-N 3.12Å
53	S	36.8	Very low	38.7	Very low	102 Å²	102	115.2 Å²	115.2	71%	0.713	67%	0.673	S	S	*	*	S	Bend	trans	-148	139.1	172.5	61.3	0	0	0	0	112.5	S55	S53-S55 PolarHBondContact O-N 3.28Å
54	D	33.4	Very low	38.2	Very low	171 Å²	171	120.3 Å²	120.3	91%	0.914	69%	0.688	S	S	*	*			trans	-53.4	117.7	-169.7	-57.8	-57.6	0	0	0	116.3
55	S	36.3	Very low	38.3	Very low	107 Å²	107	119 Å²	119	75%	0.748	68%	0.684	S	S	*	*			trans	-168.1	133.6	143.6	52.5	0	0	0	0	112.5	S53 E57	S53-S55 PolarHBondContact O-N 3.28Å; S55-E57 PolarHBondContact O-N 2.84Å
56	D	34.5	Very low	38.5	Very low	179 Å²	179	118.4 Å²	118.4	96%	0.957	69%	0.687	S	S	*	*			trans	-71	87.7	168	-78.9	-54.4	0	0	0	111.1
57	E	37.1	Very low	38.4	Very low	189 Å²	189	118.8 Å²	118.8	88%	0.883	69%	0.687	S	S	*	*			trans	-149.1	141.3	159.2	-121	165.2	-148	0	0	110.6	S55	S55-E57 PolarHBondContact O-N 2.84Å
58	G	30.5	Very low	38.6	Very low	66 Å²	66	118.9 Å²	118.9	68%	0.68	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-77.4	138.8	-166.1	0	0	0	0	0	113.9	T60	G58-T60 PolarHBondContact O-N 3.24Å
59	A	32.7	Very low	39.1	Very low	97 Å²	97	116.9 Å²	116.9	80%	0.802	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-52	127.6	175.8	0	0	0	0	0	111.6
60	T	33.5	Very low	39.5	Very low	93 Å²	93	116.7 Å²	116.7	57%	0.571	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-95.6	164.2	-174	51.1	0	0	0	0	111.6	G58 D62	G58-T60 PolarHBondContact O-N 3.24Å; T60-D62 PolarHBondContact O-N 3.15Å; T60-D62 VanDerWaalsContact O-N 3.15Å
61	I	35.7	Very low	40.5	Very low	150 Å²	150	116.7 Å²	116.7	77%	0.769	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-17.4	-173	-70	170.5	0	0	0	112.7	D63 Y64	I61-D63 VanDerWaalsContact C-N 3.31Å; I61-D63 PolarHBondContact O-N 3.26Å; I61-Y64 PolarHBondContact O-N 3.24Å
62	D	40.7	Very low	41.5	Very low	114 Å²	114	115 Å²	115	61%	0.61	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-27.7	-176.2	-63.6	-56.7	0	0	0	113.8	T60 Y64 V65	T60-D62 PolarHBondContact O-N 3.15Å; T60-D62 VanDerWaalsContact O-N 3.15Å; D62-Y64 PolarHBondContact O-N 3.08Å; D62-V65 WeakPolarHBondContact O-CB 3.48Å; D62-V65 PolarHBondContact O-N 3.11Å
63	D	40.2	Very low	42.6	Very low	101 Å²	101	117.5 Å²	117.5	54%	0.54	65%	0.652	S	S	.	*	H	α-helix	trans	-59.7	-30.7	177.3	-73.8	-25.5	0	0	0	112.7	I61 V65	I61-D63 VanDerWaalsContact C-N 3.31Å; I61-D63 PolarHBondContact O-N 3.26Å; D63-V65 PolarHBondContact O-N 3.38Å
64	Y	41.1	Very low	43.4	Very low	190 Å²	190	115.6 Å²	115.6	75%	0.745	63%	0.633	S	S	*	*	H	α-helix	trans	-68.1	-22.9	176.8	-106.9	-87.3	0	0	0	113.1	I61 D62 S68	I61-Y64 PolarHBondContact O-N 3.24Å; D62-Y64 PolarHBondContact O-N 3.08Å; Y64-S68 PolarHBondContact O-N 3.26Å
65	V	44.6	Very low	44.6	Very low	75 Å²	75	112.7 Å²	112.7	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-75.1	-39.3	-176.1	-175.5	0	0	0	0	111.2	D62 D63 F67 Q69	D62-V65 WeakPolarHBondContact O-CB 3.48Å; D62-V65 PolarHBondContact O-N 3.11Å; D63-V65 PolarHBondContact O-N 3.38Å; V65-F67 VanDerWaalsContact C-N 3.35Å; V65-F67 PolarHBondContact O-N 3.42Å; V65-Q69 PolarHBondContact O-N 3.42Å
66	L	47.8	Very low	45.4	Very low	125 Å²	125	108.8 Å²	108.8	65%	0.654	59%	0.59	S	S	*	*	H	α-helix	trans	-64.7	-38.2	175.5	-86.3	97.5	0	0	0	112.2	Q69 L70	L66-Q69 PolarHBondContact O-N 3.18Å; L66-L70 PolarHBondContact O-N 3.39Å
67	F	44.3	Very low	46.2	Very low	136 Å²	136	104.4 Å²	104.4	60%	0.596	57%	0.567	S	S	*	*	H	α-helix	trans	-68.2	-37.2	-178.3	-152.5	-84.1	0	0	0	112.2	V65 L70 V71	V65-F67 VanDerWaalsContact C-N 3.35Å; V65-F67 PolarHBondContact O-N 3.42Å; F67-L70 PolarHBondContact O-N 3.43Å; F67-V71 HydrophobicContact CD1-CG2 4.05Å; F67-V71 HydrophobicContact CE1-CG2 3.96Å; F67-V71 WeakPolarHBondContact O-CG2 3.44Å; F67-V71 PolarHBondContact O-N 3.37Å; F67-V71 VanDerWaalsContact O-N 3.13Å
68	S	44.7	Very low	46.6	Very low	67 Å²	67	99.9 Å²	99.9	47%	0.469	54%	0.544	S	S	.	.	H	α-helix	trans	-58.1	-50.3	170.5	-171.3	0	0	0	0	111.1	Y64 L70 V71 D72	Y64-S68 PolarHBondContact O-N 3.26Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-L70 PolarHBondContact O-N 3.3Å; S68-V71 PolarHBondContact O-N 3.07Å; S68-D72 PolarHBondContact O-N 2.89Å; S68-D72 PolarHBondContact OG-OD2 3.24Å
69	Q	54.7	Low	47.5	Very low	120 Å²	120	102.4 Å²	102.4	56%	0.561	54%	0.538	S	S	*	.	H	α-helix	trans	-62.6	-37.2	-178.8	-70.6	-180	-8.7	0	0	112.5	V65 L66 D72 E73	V65-Q69 PolarHBondContact O-N 3.42Å; L66-Q69 PolarHBondContact O-N 3.18Å; Q69-D72 PolarHBondContact O-N 3.35Å; Q69-E73 WeakPolarHBondContact O-CB 3.43Å; Q69-E73 WeakPolarHBondContact O-CG 3.35Å; Q69-E73 PolarHBondContact O-N 2.98Å
70	L	51.2	Low	48.1	Very low	69 Å²	69	103.9 Å²	103.9	36%	0.361	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-40.3	175.8	-163.4	83.3	0	0	0	112.1	L66 F67 S68 L74	L66-L70 PolarHBondContact O-N 3.39Å; F67-L70 PolarHBondContact O-N 3.43Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-L70 PolarHBondContact O-N 3.3Å; L70-L74 HydrophobicContact CG-CD1 4.37Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 3.49Å
71	V	58.9	Low	48.9	Very low	74 Å²	74	108.7 Å²	108.7	45%	0.448	54%	0.54	S	S	.	.	H	α-helix	trans	-67.4	-43	175.9	172.2	0	0	0	0	110.9	F67 S68 L74 H75	F67-V71 HydrophobicContact CD1-CG2 4.05Å; F67-V71 HydrophobicContact CE1-CG2 3.96Å; F67-V71 WeakPolarHBondContact O-CG2 3.44Å; F67-V71 PolarHBondContact O-N 3.37Å; F67-V71 VanDerWaalsContact O-N 3.13Å; S68-V71 PolarHBondContact O-N 3.07Å; V71-L74 PolarHBondContact O-N 2.86Å; V71-H75 WeakPolarHBondContact O-CB 3.38Å; V71-H75 PolarHBondContact O-N 3.44Å
72	D	57.9	Low	49.3	Very low	104 Å²	104	106 Å²	106	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-64.5	-40.3	176.8	-69.2	-40.8	0	0	0	112.1	S68 Q69 G76	S68-D72 PolarHBondContact O-N 2.89Å; S68-D72 PolarHBondContact OG-OD2 3.24Å; Q69-D72 PolarHBondContact O-N 3.35Å; D72-G76 PolarHBondContact O-N 2.88Å
73	E	58.9	Low	49.2	Very low	139 Å²	139	111.1 Å²	111.1	65%	0.65	55%	0.545	S	S	*	.	H	α-helix	trans	-65.4	-41.5	173.3	-78.6	-160.3	153.4	0	0	112.3	Q69 G76 L77	Q69-E73 WeakPolarHBondContact O-CB 3.43Å; Q69-E73 WeakPolarHBondContact O-CG 3.35Å; Q69-E73 PolarHBondContact O-N 2.98Å; E73-G76 PolarHBondContact O-N 2.93Å; E73-L77 WeakPolarHBondContact O-CB 3.34Å; E73-L77 VanDerWaalsContact O-CG 3.29Å; E73-L77 WeakPolarHBondContact O-CG 3.28Å; E73-L77 PolarHBondContact O-N 2.99Å
74	L	51.8	Low	48.9	Very low	61 Å²	61	112.6 Å²	112.6	32%	0.319	55%	0.552	S	S	.	*	H	α-helix	trans	-64	-44.4	176.1	-78	166.7	0	0	0	111.6	L70 V71 L77 F78	L70-L74 HydrophobicContact CG-CD1 4.37Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 3.49Å; V71-L74 PolarHBondContact O-N 2.86Å; L74-L77 PolarHBondContact O-N 2.89Å; L74-F78 PolarHBondContact O-N 3.45Å; L74-F78 VanDerWaalsContact O-N 3.16Å
75	H	59.4	Low	48.8	Very low	111 Å²	111	108.5 Å²	108.5	51%	0.514	55%	0.552	S	S	.	*	H	α-helix	trans	-63.3	-45.8	176.4	-155.2	-83.3	0	0	0	111.1	V71 L77 F78 E79	V71-H75 WeakPolarHBondContact O-CB 3.38Å; V71-H75 PolarHBondContact O-N 3.44Å; H75-L77 VanDerWaalsContact C-N 3.31Å; H75-L77 PolarHBondContact O-N 3.36Å; H75-F78 PolarHBondContact O-N 3.34Å; H75-F78 VanDerWaalsContact O-N 3.16Å; H75-E79 IonicContact CE1-OE1 2.69Å; H75-E79 IonicContact CE1-OE2 2.96Å; H75-E79 PolarHBondContact CE1-OE2 3.35Å; H75-E79 VanDerWaalsContact ND1-CD 3.29Å; H75-E79 IonicContact ND1-OE1 3.17Å; H75-E79 IonicContact ND1-OE2 3.98Å; H75-E79 PolarHBondContact ND1-OE2 3.35Å; H75-E79 PolarHBondContact O-N 3.42Å
76	G	53.4	Low	48.2	Very low	25 Å²	25	114.3 Å²	114.3	26%	0.258	57%	0.571	S	S	.	*	H	α-helix	trans	-62.1	-33.5	176.4	0	0	0	0	0	113.8	D72 E73 N80	D72-G76 PolarHBondContact O-N 2.88Å; E73-G76 PolarHBondContact O-N 2.93Å; G76-N80 WeakPolarHBondContact O-CB 3.42Å; G76-N80 PolarHBondContact O-N 3.19Å; G76-N80 PolarHBondContact O-ND2 3.16Å
77	L	51.4	Low	47.9	Very low	87 Å²	87	114.2 Å²	114.2	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-69.3	-35.7	173.8	-81.7	167.4	0	0	0	112.9	E73 L74 H75 R81	E73-L77 WeakPolarHBondContact O-CB 3.34Å; E73-L77 VanDerWaalsContact O-CG 3.29Å; E73-L77 WeakPolarHBondContact O-CG 3.28Å; E73-L77 PolarHBondContact O-N 2.99Å; L74-L77 PolarHBondContact O-N 2.89Å; H75-L77 VanDerWaalsContact C-N 3.31Å; H75-L77 PolarHBondContact O-N 3.36Å; L77-R81 WeakPolarHBondContact O-CG 3.49Å
78	F	46.1	Very low	47.7	Very low	94 Å²	94	113.1 Å²	113.1	41%	0.412	58%	0.578	S	S	.	*	H	α-helix	trans	-73.7	-53	176.5	-95.1	-87.9	0	0	0	112.1	L74 H75 N80 R81 C82	L74-F78 PolarHBondContact O-N 3.45Å; L74-F78 VanDerWaalsContact O-N 3.16Å; H75-F78 PolarHBondContact O-N 3.34Å; H75-F78 VanDerWaalsContact O-N 3.16Å; F78-N80 PolarHBondContact O-N 3.23Å; F78-R81 PolarHBondContact O-N 3.46Å; F78-C82 PolarHBondContact O-N 3.16Å
79	E	48	Very low	47.4	Very low	118 Å²	118	114.4 Å²	114.4	55%	0.551	59%	0.586	S	S	*	*	H	α-helix	trans	-60.6	-41.8	-175.6	-73.4	-172.9	120.3	0	0	112.8	H75 R81	H75-E79 IonicContact CE1-OE1 2.69Å; H75-E79 IonicContact CE1-OE2 2.96Å; H75-E79 PolarHBondContact CE1-OE2 3.35Å; H75-E79 VanDerWaalsContact ND1-CD 3.29Å; H75-E79 IonicContact ND1-OE1 3.17Å; H75-E79 IonicContact ND1-OE2 3.98Å; H75-E79 PolarHBondContact ND1-OE2 3.35Å; H75-E79 PolarHBondContact O-N 3.42Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 2.82Å
80	N	46.5	Very low	46.7	Very low	129 Å²	129	117.6 Å²	117.6	69%	0.69	59%	0.594	S	S	*	*	H	α-helix	trans	-74.1	-15.4	-177.5	-75.3	-76.6	0	0	0	114.3	G76 F78	G76-N80 WeakPolarHBondContact O-CB 3.42Å; G76-N80 PolarHBondContact O-N 3.19Å; G76-N80 PolarHBondContact O-ND2 3.16Å; F78-N80 PolarHBondContact O-N 3.23Å
81	R	49.2	Very low	46.3	Very low	193 Å²	193	123.2 Å²	123.2	73%	0.728	61%	0.612	S	S	*	*	H	α-helix	trans	-103.6	-33.1	-177.3	-70.6	-172.8	176.1	-140.5	-1.5	114.2	L77 F78 E79 W83	L77-R81 WeakPolarHBondContact O-CG 3.49Å; F78-R81 PolarHBondContact O-N 3.46Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 2.82Å; R81-W83 VanDerWaalsContact C-N 3.34Å; R81-W83 PolarHBondContact O-N 2.86Å
82	C	43.8	Very low	45.7	Very low	94 Å²	94	124.7 Å²	124.7	64%	0.635	61%	0.614	S	S	*	*	H	α-helix	trans	-78.2	-9	-172	-67.6	0	0	0	0	115.6	F78	F78-C82 PolarHBondContact O-N 3.16Å
83	W	38.8	Very low	45.2	Very low	222 Å²	222	124.6 Å²	124.6	84%	0.841	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	0.9	-170.4	-81.2	89.5	0	0	0	116.2	R81	R81-W83 VanDerWaalsContact C-N 3.34Å; R81-W83 PolarHBondContact O-N 2.86Å
84	N	35.8	Very low	44.9	Very low	131 Å²	131	121 Å²	121	70%	0.701	60%	0.6	S	S	*	*	S	Bend	trans	-132.8	133.5	-178.7	-75.7	-69.3	0	0	0	113.7
85	S	37.6	Very low	45.2	Very low	105 Å²	105	123.3 Å²	123.3	73%	0.734	61%	0.612	S	S	*	*	S	Bend	trans	79.8	117.2	164.8	-58.5	0	0	0	0	119
86	F	32.6	Very low	44.8	Very low	196 Å²	196	121.8 Å²	121.8	86%	0.86	61%	0.613	S	S	*	*			trans	68.9	143.3	167.9	-69.8	-83.4	0	0	0	119.5	L88	F86-L88 PolarHBondContact O-N 3.43Å
87	P	41.4	Very low	44.8	Very low	123 Å²	123	126.8 Å²	126.8	80%	0.799	63%	0.63	S	S	*	*			trans	-82.2	98.2	178.7	33.1	-32.1	0	0	0	110.6
88	L	39	Very low	44.9	Very low	114 Å²	114	127.3 Å²	127.3	60%	0.597	63%	0.633	S	S	*	*			trans	-64.4	149.9	169.5	-68	177.4	0	0	0	111.1	F86	F86-L88 PolarHBondContact O-N 3.43Å
89	C	38.9	Very low	45.4	Very low	93 Å²	93	128.3 Å²	128.3	63%	0.628	64%	0.637	S	S	*	*			trans	-70	149.3	-175.6	-157.3	0	0	0	0	110.9	Y91 E92 L93	C89-Y91 PolarHBondContact O-N 3.44Å; C89-E92 PolarHBondContact O-N 3.43Å; C89-L93 PolarHBondContact O-N 3.36Å
90	Y	39.5	Very low	45.9	Very low	187 Å²	187	124.9 Å²	124.9	73%	0.733	63%	0.625	S	S	*	*	H	α-helix	trans	-51.8	-33.6	-172.2	-163.3	-92.7	0	0	0	113.7	L93 V94	Y90-L93 PolarHBondContact O-N 3.35Å; Y90-V94 HydrophobicContact CD1-CG2 4.06Å; Y90-V94 HydrophobicContact CE1-CG2 3.94Å; Y90-V94 WeakPolarHBondContact O-CG2 3.47Å; Y90-V94 PolarHBondContact O-N 3.39Å; Y90-V94 VanDerWaalsContact O-N 3.09Å
91	Y	43.9	Very low	46.3	Very low	188 Å²	188	122 Å²	122	74%	0.737	61%	0.612	S	S	*	*	H	α-helix	trans	-64.2	-39.3	175.7	-90.6	-86.5	0	0	0	114.4	C89 L95	C89-Y91 PolarHBondContact O-N 3.44Å; Y91-L95 WeakPolarHBondContact O-CB 3.29Å; Y91-L95 WeakPolarHBondContact O-CG 3.39Å; Y91-L95 PolarHBondContact O-N 3.47Å
92	E	45.3	Very low	46.8	Very low	105 Å²	105	116 Å²	116	49%	0.491	60%	0.6	S	S	.	*	H	α-helix	trans	-73.4	-32.9	178.5	-72.2	-172	-168.8	0	0	111.8	C89 L95 C96	C89-E92 PolarHBondContact O-N 3.43Å; E92-L95 PolarHBondContact O-N 2.97Å; E92-C96 WeakPolarHBondContact O-CB 3.29Å; E92-C96 PolarHBondContact O-N 2.99Å
93	L	48.9	Very low	47.8	Very low	102 Å²	102	114.7 Å²	114.7	53%	0.534	59%	0.586	S	S	.	*	H	α-helix	trans	-63.9	-45.9	173.8	-122.8	163.8	0	0	0	111.1	C89 Y90 C96 Q97	C89-L93 PolarHBondContact O-N 3.36Å; Y90-L93 PolarHBondContact O-N 3.35Å; L93-C96 PolarHBondContact O-N 3.09Å; L93-Q97 WeakPolarHBondContact O-CB 3.36Å; L93-Q97 PolarHBondContact O-N 3.07Å
94	V	52.8	Low	48.7	Very low	62 Å²	62	110 Å²	110	38%	0.376	57%	0.574	S	S	.	*	H	α-helix	trans	-63.4	-41.7	174.1	171.2	0	0	0	0	111.7	Y90 Q97 L98	Y90-V94 HydrophobicContact CD1-CG2 4.06Å; Y90-V94 HydrophobicContact CE1-CG2 3.94Å; Y90-V94 WeakPolarHBondContact O-CG2 3.47Å; Y90-V94 PolarHBondContact O-N 3.39Å; Y90-V94 VanDerWaalsContact O-N 3.09Å; V94-Q97 PolarHBondContact O-N 2.78Å; V94-L98 HydrophobicContact CG1-CD1 3.95Å; V94-L98 HydrophobicContact CG1-CG 4.5Å; V94-L98 WeakPolarHBondContact O-CB 3.41Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 3.45Å
95	L	56.2	Low	50	Low	110 Å²	110	112.6 Å²	112.6	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-64.3	-43.9	176.2	-78.6	167.5	0	0	0	112.4	Y91 E92 Q97 L98 F99	Y91-L95 WeakPolarHBondContact O-CB 3.29Å; Y91-L95 WeakPolarHBondContact O-CG 3.39Å; Y91-L95 PolarHBondContact O-N 3.47Å; E92-L95 PolarHBondContact O-N 2.97Å; L95-Q97 VanDerWaalsContact C-N 3.31Å; L95-Q97 PolarHBondContact O-N 3.39Å; L95-L98 PolarHBondContact O-N 2.9Å; L95-F99 WeakPolarHBondContact O-CB 3.35Å; L95-F99 PolarHBondContact O-N 2.91Å
96	C	52.5	Low	51.1	Low	80 Å²	80	112.1 Å²	112.1	54%	0.541	57%	0.567	S	S	.	*	H	α-helix	trans	-59.3	-42.3	172.9	-87.4	0	0	0	0	111.7	E92 L93 F99 C100	E92-C96 WeakPolarHBondContact O-CB 3.29Å; E92-C96 PolarHBondContact O-N 2.99Å; L93-C96 PolarHBondContact O-N 3.09Å; C96-F99 PolarHBondContact O-N 3.11Å; C96-C100 PolarHBondContact O-N 3.08Å; C96-C100 PolarHBondContact O-SG 3.05Å
97	Q	51.8	Low	52.7	Low	129 Å²	129	106.3 Å²	106.3	60%	0.603	55%	0.548	S	S	*	.	H	α-helix	trans	-71.1	-35.3	-177.3	-159.3	161.4	4.3	0	0	112.4	L93 V94 L95 T101	L93-Q97 WeakPolarHBondContact O-CB 3.36Å; L93-Q97 PolarHBondContact O-N 3.07Å; V94-Q97 PolarHBondContact O-N 2.78Å; L95-Q97 VanDerWaalsContact C-N 3.31Å; L95-Q97 PolarHBondContact O-N 3.39Å; Q97-T101 WeakPolarHBondContact O-CG2 3.38Å; Q97-T101 PolarHBondContact O-N 3.33Å; Q97-T101 VanDerWaalsContact O-N 3.08Å; Q97-T101 PolarHBondContact O-OG1 3.21Å
98	L	53.4	Low	53.5	Low	99 Å²	99	103.7 Å²	103.7	52%	0.518	53%	0.533	S	S	.	.	H	α-helix	trans	-65.4	-37.3	167.6	-74.7	167.2	0	0	0	112.6	V94 L95 T101 S102	V94-L98 HydrophobicContact CG1-CD1 3.95Å; V94-L98 HydrophobicContact CG1-CG 4.5Å; V94-L98 WeakPolarHBondContact O-CB 3.41Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 3.45Å; L95-L98 PolarHBondContact O-N 2.9Å; L98-T101 WeakPolarHBondContact CA-OG1 3.37Å; L98-T101 PolarHBondContact O-OG1 3.27Å; L98-S102 VanDerWaalsContact O-CB 3.31Å; L98-S102 WeakPolarHBondContact O-CB 3.23Å; L98-S102 PolarHBondContact O-N 2.99Å; L98-S102 PolarHBondContact O-OG 2.95Å
99	F	57.9	Low	54.4	Low	114 Å²	114	105.1 Å²	105.1	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-71.7	-41.9	178.6	-153.9	-103.8	0	0	0	111.9	L95 C96 S102 I103	L95-F99 WeakPolarHBondContact O-CB 3.35Å; L95-F99 PolarHBondContact O-N 2.91Å; C96-F99 PolarHBondContact O-N 3.11Å; F99-S102 PolarHBondContact O-N 3.35Å; F99-I103 HydrophobicContact CD1-CD1 3.68Å; F99-I103 HydrophobicContact CD1-CG1 4.46Å; F99-I103 HydrophobicContact CE1-CD1 3.73Å; F99-I103 WeakPolarHBondContact O-CG1 3.37Å; F99-I103 PolarHBondContact O-N 3.28Å
100	C	57.5	Low	55.5	Low	46 Å²	46	104 Å²	104	31%	0.311	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-50	175.1	-64.7	0	0	0	0	111.3	C96 S102 I103 E104	C96-C100 PolarHBondContact O-N 3.08Å; C96-C100 PolarHBondContact O-SG 3.05Å; C100-S102 VanDerWaalsContact C-N 3.28Å; C100-S102 PolarHBondContact O-N 3.46Å; C100-I103 PolarHBondContact O-N 3.25Å; C100-I103 VanDerWaalsContact O-N 3.09Å; C100-E104 WeakPolarHBondContact O-CG 3.44Å; C100-E104 PolarHBondContact O-N 3.33Å
101	T	56.3	Low	56.6	Low	68 Å²	68	99.8 Å²	99.8	42%	0.417	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-34.4	177	46	0	0	0	0	112.5	Q97 L98 Y105	Q97-T101 WeakPolarHBondContact O-CG2 3.38Å; Q97-T101 PolarHBondContact O-N 3.33Å; Q97-T101 VanDerWaalsContact O-N 3.08Å; Q97-T101 PolarHBondContact O-OG1 3.21Å; L98-T101 WeakPolarHBondContact CA-OG1 3.37Å; L98-T101 PolarHBondContact O-OG1 3.27Å; T101-Y105 WeakPolarHBondContact O-CB 3.34Å; T101-Y105 PolarHBondContact O-N 3.32Å
102	S	58.8	Low	57.1	Low	67 Å²	67	94.6 Å²	94.6	47%	0.469	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-41.2	172.2	-60.4	0	0	0	0	112.5	L98 F99 C100 Y105 V106	L98-S102 VanDerWaalsContact O-CB 3.31Å; L98-S102 WeakPolarHBondContact O-CB 3.23Å; L98-S102 PolarHBondContact O-N 2.99Å; L98-S102 PolarHBondContact O-OG 2.95Å; F99-S102 PolarHBondContact O-N 3.35Å; C100-S102 VanDerWaalsContact C-N 3.28Å; C100-S102 PolarHBondContact O-N 3.46Å; S102-Y105 PolarHBondContact O-N 3.39Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 3.49Å
103	I	65	Low	57.7	Low	67 Å²	67	91.9 Å²	91.9	34%	0.344	50%	0.497	S	S	.	.	H	α-helix	trans	-65.4	-46.3	175.8	-71.3	168.4	0	0	0	110.7	F99 C100 Y105 V106 V107	F99-I103 HydrophobicContact CD1-CD1 3.68Å; F99-I103 HydrophobicContact CD1-CG1 4.46Å; F99-I103 HydrophobicContact CE1-CD1 3.73Å; F99-I103 WeakPolarHBondContact O-CG1 3.37Å; F99-I103 PolarHBondContact O-N 3.28Å; C100-I103 PolarHBondContact O-N 3.25Å; C100-I103 VanDerWaalsContact O-N 3.09Å; I103-Y105 VanDerWaalsContact C-N 3.27Å; I103-Y105 PolarHBondContact O-N 3.13Å; I103-V106 PolarHBondContact O-N 3.43Å; I103-V107 HydrophobicContact CG2-CG2 4.13Å; I103-V107 WeakPolarHBondContact O-CB 3.4Å; I103-V107 VanDerWaalsContact O-CG2 3.31Å; I103-V107 WeakPolarHBondContact O-CG2 3.3Å; I103-V107 PolarHBondContact O-N 2.93Å
104	E	57.9	Low	58.4	Low	124 Å²	124	91.2 Å²	91.2	58%	0.579	49%	0.493	S	S	*	.	H	α-helix	trans	-58.1	-40.1	176	-72	178.1	153.4	0	0	111.6	C100 S108	C100-E104 WeakPolarHBondContact O-CG 3.44Å; C100-E104 PolarHBondContact O-N 3.33Å; E104-S108 VanDerWaalsContact O-CB 3.24Å; E104-S108 WeakPolarHBondContact O-CB 3.4Å; E104-S108 PolarHBondContact O-N 3.4Å; E104-S108 PolarHBondContact O-OG 2.97Å
105	Y	61.7	Low	58.7	Low	186 Å²	186	91.6 Å²	91.6	73%	0.729	50%	0.498	S	S	*	.	H	α-helix	trans	-66.5	-44.7	176.2	-134.7	-89.3	0	0	0	112.4	T101 S102 I103 S108 F109	T101-Y105 WeakPolarHBondContact O-CB 3.34Å; T101-Y105 PolarHBondContact O-N 3.32Å; S102-Y105 PolarHBondContact O-N 3.39Å; I103-Y105 VanDerWaalsContact C-N 3.27Å; I103-Y105 PolarHBondContact O-N 3.13Å; Y105-S108 PolarHBondContact O-N 2.92Å; Y105-F109 VanDerWaalsContact O-CB 3.26Å; Y105-F109 WeakPolarHBondContact O-CB 3.45Å; Y105-F109 PolarHBondContact O-N 3.37Å
106	V	62.2	Low	58.7	Low	94 Å²	94	91.8 Å²	91.8	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-44.5	178	169.7	0	0	0	0	111.2	S102 I103 F109 V110	S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 3.49Å; I103-V106 PolarHBondContact O-N 3.43Å; V106-F109 PolarHBondContact O-N 3.49Å; V106-V110 HydrophobicContact CG1-CG2 4.46Å; V106-V110 WeakPolarHBondContact O-CB 3.31Å; V106-V110 VanDerWaalsContact O-CG2 3.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.31Å; V106-V110 PolarHBondContact O-N 2.81Å
107	V	64.8	Low	59.2	Low	75 Å²	75	92.1 Å²	92.1	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-44.9	176.4	170.9	0	0	0	0	110.5	I103 V110 L111	I103-V107 HydrophobicContact CG2-CG2 4.13Å; I103-V107 WeakPolarHBondContact O-CB 3.4Å; I103-V107 VanDerWaalsContact O-CG2 3.31Å; I103-V107 WeakPolarHBondContact O-CG2 3.3Å; I103-V107 PolarHBondContact O-N 2.93Å; V107-V110 PolarHBondContact O-N 3.24Å; V107-L111 HydrophobicContact CG1-CD1 3.81Å; V107-L111 HydrophobicContact CG1-CG 4.36Å; V107-L111 WeakPolarHBondContact O-CB 3.47Å; V107-L111 VanDerWaalsContact O-CG 3.26Å; V107-L111 WeakPolarHBondContact O-CG 3.47Å; V107-L111 PolarHBondContact O-N 2.92Å
108	S	58.7	Low	59.8	Low	68 Å²	68	90.3 Å²	90.3	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-43.6	176.6	-58.1	0	0	0	0	112	E104 Y105 L111 C112	E104-S108 VanDerWaalsContact O-CB 3.24Å; E104-S108 WeakPolarHBondContact O-CB 3.4Å; E104-S108 PolarHBondContact O-N 3.4Å; E104-S108 PolarHBondContact O-OG 2.97Å; Y105-S108 PolarHBondContact O-N 2.92Å; S108-L111 PolarHBondContact O-N 3.18Å; S108-C112 PolarHBondContact O-N 3.33Å; S108-C112 PolarHBondContact O-SG 3.5Å
109	F	59.1	Low	60	Low	144 Å²	144	91.2 Å²	91.2	63%	0.632	50%	0.495	S	S	*	.	H	α-helix	trans	-64.2	-40.8	178.1	-175.5	-93	0	0	0	112.5	Y105 V106 S113	Y105-F109 VanDerWaalsContact O-CB 3.26Å; Y105-F109 WeakPolarHBondContact O-CB 3.45Å; Y105-F109 PolarHBondContact O-N 3.37Å; V106-F109 PolarHBondContact O-N 3.49Å; F109-S113 WeakPolarHBondContact O-CB 3.38Å; F109-S113 PolarHBondContact O-N 3.09Å; F109-S113 PolarHBondContact O-OG 2.95Å
110	V	60.6	Low	60	Low	68 Å²	68	88.5 Å²	88.5	41%	0.412	49%	0.493	S	S	.	.	H	α-helix	trans	-66.5	-42.9	174.6	169.2	0	0	0	0	111	V106 V107 S113 I114	V106-V110 HydrophobicContact CG1-CG2 4.46Å; V106-V110 WeakPolarHBondContact O-CB 3.31Å; V106-V110 VanDerWaalsContact O-CG2 3.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.31Å; V106-V110 PolarHBondContact O-N 2.81Å; V107-V110 PolarHBondContact O-N 3.24Å; V110-S113 PolarHBondContact O-N 3.48Å; V110-I114 HydrophobicContact CG1-CD1 3.7Å; V110-I114 HydrophobicContact CG1-CG1 4.43Å; V110-I114 WeakPolarHBondContact O-CB 3.37Å; V110-I114 VanDerWaalsContact O-CG1 3.28Å; V110-I114 WeakPolarHBondContact O-CG1 3.39Å; V110-I114 PolarHBondContact O-N 3.37Å
111	L	62.3	Low	60.3	Low	99 Å²	99	90.4 Å²	90.4	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-42.4	177.1	-73.3	171.7	0	0	0	112.5	V107 S108 I114 S115	V107-L111 HydrophobicContact CG1-CD1 3.81Å; V107-L111 HydrophobicContact CG1-CG 4.36Å; V107-L111 WeakPolarHBondContact O-CB 3.47Å; V107-L111 VanDerWaalsContact O-CG 3.26Å; V107-L111 WeakPolarHBondContact O-CG 3.47Å; V107-L111 PolarHBondContact O-N 2.92Å; S108-L111 PolarHBondContact O-N 3.18Å; L111-I114 PolarHBondContact O-N 2.89Å; L111-S115 WeakPolarHBondContact O-CB 3.5Å; L111-S115 PolarHBondContact O-N 2.7Å
112	C	56.1	Low	60.6	Low	79 Å²	79	95.5 Å²	95.5	53%	0.534	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-46.9	171.9	-70.4	0	0	0	0	111.4	S108 I114 S115 D116	S108-C112 PolarHBondContact O-N 3.33Å; S108-C112 PolarHBondContact O-SG 3.5Å; C112-I114 VanDerWaalsContact C-N 3.3Å; C112-I114 PolarHBondContact O-N 2.98Å; C112-S115 WeakPolarHBondContact O-CA 3.33Å; C112-S115 WeakPolarHBondContact O-CB 3.43Å; C112-S115 PolarHBondContact O-N 2.91Å; C112-D116 PolarHBondContact O-N 3.34Å
113	S	57.6	Low	60.6	Low	48 Å²	48	96.8 Å²	96.8	34%	0.336	51%	0.512	S	S	.	.	H	α-helix	trans	-58.8	-39.8	178.3	-59.4	0	0	0	0	112.6	F109 V110 V117	F109-S113 WeakPolarHBondContact O-CB 3.38Å; F109-S113 PolarHBondContact O-N 3.09Å; F109-S113 PolarHBondContact O-OG 2.95Å; V110-S113 PolarHBondContact O-N 3.48Å; S113-V117 VanDerWaalsContact O-CG2 3.23Å; S113-V117 WeakPolarHBondContact O-CG2 3.36Å; S113-V117 PolarHBondContact O-N 3.36Å; S113-V117 VanDerWaalsContact O-N 3.13Å
114	I	63.1	Low	60.1	Low	89 Å²	89	100.1 Å²	100.1	46%	0.456	53%	0.526	S	S	.	.	H	α-helix	trans	-69.1	-40.9	174.9	-69.6	167.4	0	0	0	110.8	V110 L111 C112 V117 L118	V110-I114 HydrophobicContact CG1-CD1 3.7Å; V110-I114 HydrophobicContact CG1-CG1 4.43Å; V110-I114 WeakPolarHBondContact O-CB 3.37Å; V110-I114 VanDerWaalsContact O-CG1 3.28Å; V110-I114 WeakPolarHBondContact O-CG1 3.39Å; V110-I114 PolarHBondContact O-N 3.37Å; L111-I114 PolarHBondContact O-N 2.89Å; C112-I114 VanDerWaalsContact C-N 3.3Å; C112-I114 PolarHBondContact O-N 2.98Å; I114-V117 PolarHBondContact O-N 3.41Å; I114-L118 HydrophobicContact CG2-CD1 3.81Å; I114-L118 HydrophobicContact CG2-CG 4.33Å; I114-L118 WeakPolarHBondContact O-CB 3.28Å; I114-L118 VanDerWaalsContact O-CG 3.28Å; I114-L118 WeakPolarHBondContact O-CG 3.29Å; I114-L118 PolarHBondContact O-N 2.92Å
115	S	59.3	Low	60.1	Low	70 Å²	70	100.5 Å²	100.5	49%	0.49	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-47	175.6	-169.6	0	0	0	0	111.7	L111 C112 V117 L118 H119	L111-S115 WeakPolarHBondContact O-CB 3.5Å; L111-S115 PolarHBondContact O-N 2.7Å; C112-S115 WeakPolarHBondContact O-CA 3.33Å; C112-S115 WeakPolarHBondContact O-CB 3.43Å; C112-S115 PolarHBondContact O-N 2.91Å; S115-V117 PolarHBondContact O-N 3.01Å; S115-L118 PolarHBondContact O-N 3.18Å; S115-H119 WeakPolarHBondContact O-CB 3.48Å; S115-H119 PolarHBondContact O-N 2.96Å
116	D	56.5	Low	59.5	Low	113 Å²	113	100.4 Å²	100.4	60%	0.604	53%	0.528	S	S	*	.	H	α-helix	trans	-62.7	-42.9	178.2	-71.6	-25.8	0	0	0	111.9	C112 H119 A120	C112-D116 PolarHBondContact O-N 3.34Å; D116-H119 PolarHBondContact O-N 3.42Å; D116-A120 WeakPolarHBondContact O-CB 3.42Å; D116-A120 PolarHBondContact O-N 3.15Å
117	V	62.9	Low	59	Low	87 Å²	87	101.7 Å²	101.7	53%	0.527	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-43.2	175.3	169.5	0	0	0	0	111.3	S113 I114 S115 H119 A120 L121	S113-V117 VanDerWaalsContact O-CG2 3.23Å; S113-V117 WeakPolarHBondContact O-CG2 3.36Å; S113-V117 PolarHBondContact O-N 3.36Å; S113-V117 VanDerWaalsContact O-N 3.13Å; I114-V117 PolarHBondContact O-N 3.41Å; S115-V117 PolarHBondContact O-N 3.01Å; V117-H119 VanDerWaalsContact C-N 3.33Å; V117-H119 PolarHBondContact O-N 3.08Å; V117-A120 PolarHBondContact O-N 2.84Å; V117-L121 HydrophobicContact CG1-CD1 3.96Å; V117-L121 WeakPolarHBondContact O-CB 3.26Å; V117-L121 VanDerWaalsContact O-CG 3.28Å; V117-L121 WeakPolarHBondContact O-CG 3.39Å; V117-L121 PolarHBondContact O-N 3.21Å
118	L	63.6	Low	58.2	Low	91 Å²	91	101.7 Å²	101.7	48%	0.476	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-36	175.5	-74.2	170.8	0	0	0	112.3	I114 S115 R122	I114-L118 HydrophobicContact CG2-CD1 3.81Å; I114-L118 HydrophobicContact CG2-CG 4.33Å; I114-L118 WeakPolarHBondContact O-CB 3.28Å; I114-L118 VanDerWaalsContact O-CG 3.28Å; I114-L118 WeakPolarHBondContact O-CG 3.29Å; I114-L118 PolarHBondContact O-N 2.92Å; S115-L118 PolarHBondContact O-N 3.18Å; L118-R122 WeakPolarHBondContact O-CB 3.26Å; L118-R122 WeakPolarHBondContact O-CG 3.27Å; L118-R122 PolarHBondContact O-N 3.3Å
119	H	58.6	Low	58.1	Low	119 Å²	119	103.3 Å²	103.3	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-70.3	-41.9	176.4	-163.9	-96.7	0	0	0	111.6	S115 D116 V117 R122 L123	S115-H119 WeakPolarHBondContact O-CB 3.48Å; S115-H119 PolarHBondContact O-N 2.96Å; D116-H119 PolarHBondContact O-N 3.42Å; V117-H119 VanDerWaalsContact C-N 3.33Å; V117-H119 PolarHBondContact O-N 3.08Å; H119-R122 PolarHBondContact O-N 2.92Å; H119-L123 PolarHBondContact O-N 2.95Å
120	A	58.4	Low	57.4	Low	56 Å²	56	98.8 Å²	98.8	46%	0.463	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-45	173.1	0	0	0	0	0	112.1	D116 V117 L123 Q124	D116-A120 WeakPolarHBondContact O-CB 3.42Å; D116-A120 PolarHBondContact O-N 3.15Å; V117-A120 PolarHBondContact O-N 2.84Å; A120-L123 PolarHBondContact O-N 2.99Å; A120-Q124 WeakPolarHBondContact O-CB 3.48Å; A120-Q124 PolarHBondContact O-N 2.71Å
121	L	63.6	Low	56.6	Low	87 Å²	87	100.5 Å²	100.5	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-41	176.1	-73.4	168.8	0	0	0	112.2	V117 Q124 Q125	V117-L121 HydrophobicContact CG1-CD1 3.96Å; V117-L121 WeakPolarHBondContact O-CB 3.26Å; V117-L121 VanDerWaalsContact O-CG 3.28Å; V117-L121 WeakPolarHBondContact O-CG 3.39Å; V117-L121 PolarHBondContact O-N 3.21Å; L121-Q124 PolarHBondContact O-N 3.44Å; L121-Q125 WeakPolarHBondContact O-CG 3.4Å; L121-Q125 PolarHBondContact O-N 3.06Å
122	R	62.7	Low	56	Low	175 Å²	175	103 Å²	103	66%	0.66	54%	0.541	S	S	*	.	H	α-helix	trans	-63.8	-41.5	173.8	-83.4	-176.9	169.7	177.3	-0.3	112.8	L118 H119 Q124 Q125 Y126	L118-R122 WeakPolarHBondContact O-CB 3.26Å; L118-R122 WeakPolarHBondContact O-CG 3.27Å; L118-R122 PolarHBondContact O-N 3.3Å; H119-R122 PolarHBondContact O-N 2.92Å; R122-Q124 VanDerWaalsContact C-N 3.34Å; R122-Q125 PolarHBondContact O-N 3.32Å; R122-Y126 PolarHBondContact O-N 3.35Å
123	L	57.2	Low	55.7	Low	93 Å²	93	103.9 Å²	103.9	49%	0.487	55%	0.545	S	S	.	.	H	α-helix	trans	-61.5	-42.5	173.5	-87.7	165	0	0	0	111.5	H119 A120 Y126 L127	H119-L123 PolarHBondContact O-N 2.95Å; A120-L123 PolarHBondContact O-N 2.99Å; L123-Y126 PolarHBondContact O-N 2.98Å; L123-L127 WeakPolarHBondContact O-CG 3.24Å; L123-L127 PolarHBondContact O-N 2.85Å
124	Q	55.6	Low	54.8	Low	137 Å²	137	111.5 Å²	111.5	64%	0.64	57%	0.566	S	S	*	*	H	α-helix	trans	-65.6	-39.4	178.7	-159.7	172.4	10.1	0	0	112.1	A120 L121 R122 S128	A120-Q124 WeakPolarHBondContact O-CB 3.48Å; A120-Q124 PolarHBondContact O-N 2.71Å; L121-Q124 PolarHBondContact O-N 3.44Å; R122-Q124 VanDerWaalsContact C-N 3.34Å; Q124-S128 PolarHBondContact O-N 2.9Å; Q124-S128 VanDerWaalsContact O-N 3.07Å
125	Q	57.1	Low	53.7	Low	133 Å²	133	114.3 Å²	114.3	62%	0.621	58%	0.582	S	S	*	*	H	α-helix	trans	-63.6	-45.1	171.5	-74.6	-179.2	-17.6	0	0	112.3	L121 R122 L127 S128 I129	L121-Q125 WeakPolarHBondContact O-CG 3.4Å; L121-Q125 PolarHBondContact O-N 3.06Å; R122-Q125 PolarHBondContact O-N 3.32Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L127 PolarHBondContact O-N 3.31Å; Q125-S128 PolarHBondContact O-N 3.29Å; Q125-I129 WeakPolarHBondContact O-CG1 3.44Å; Q125-I129 PolarHBondContact O-N 3.39Å; Q125-I129 VanDerWaalsContact O-N 3.1Å
126	Y	50.7	Low	52.6	Low	184 Å²	184	115.9 Å²	115.9	72%	0.722	59%	0.593	S	S	*	*	H	α-helix	trans	-61.8	-39.9	177.8	-104.7	-83.6	0	0	0	112.8	R122 L123 I129 A130	R122-Y126 PolarHBondContact O-N 3.35Å; L123-Y126 PolarHBondContact O-N 2.98Å; Y126-I129 PolarHBondContact O-N 2.91Å; Y126-A130 WeakPolarHBondContact O-CB 3.38Å; Y126-A130 PolarHBondContact O-N 3.46Å; Y126-A130 VanDerWaalsContact O-N 3.08Å
127	L	50.1	Low	51.4	Low	121 Å²	121	120.1 Å²	120.1	63%	0.634	61%	0.606	S	S	*	*	H	α-helix	trans	-66.8	-39.5	175.7	-71.4	169.9	0	0	0	111.9	L123 Q125 I129 A130 D131	L123-L127 WeakPolarHBondContact O-CG 3.24Å; L123-L127 PolarHBondContact O-N 2.85Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L127 PolarHBondContact O-N 3.31Å; L127-I129 PolarHBondContact O-N 2.92Å; L127-A130 PolarHBondContact O-N 3.15Å; L127-D131 PolarHBondContact O-N 3.3Å
128	S	49.6	Very low	50	Low	75 Å²	75	121.4 Å²	121.4	52%	0.524	62%	0.616	S	S	.	*	H	α-helix	trans	-60.5	-44.1	175.5	-163.4	0	0	0	0	112.2	Q124 Q125 A130 D131 E132	Q124-S128 PolarHBondContact O-N 2.9Å; Q124-S128 VanDerWaalsContact O-N 3.07Å; Q125-S128 PolarHBondContact O-N 3.29Å; S128-A130 VanDerWaalsContact C-N 3.31Å; S128-A130 PolarHBondContact O-N 2.88Å; S128-D131 PolarHBondContact O-N 3.33Å; S128-E132 PolarHBondContact O-N 3.36Å
129	I	55.2	Low	48.6	Very low	102 Å²	102	121.3 Å²	121.3	52%	0.523	62%	0.623	S	S	.	*	H	α-helix	trans	-68.7	-31.1	178.7	-64.3	165.2	0	0	0	111.4	Q125 Y126 L127 T133	Q125-I129 WeakPolarHBondContact O-CG1 3.44Å; Q125-I129 PolarHBondContact O-N 3.39Å; Q125-I129 VanDerWaalsContact O-N 3.1Å; Y126-I129 PolarHBondContact O-N 2.91Å; L127-I129 PolarHBondContact O-N 2.92Å; I129-T133 WeakPolarHBondContact O-CG2 3.47Å; I129-T133 PolarHBondContact O-N 2.88Å; I129-T133 PolarHBondContact O-OG1 3.09Å
130	A	44.2	Very low	47.1	Very low	49 Å²	49	123.1 Å²	123.1	41%	0.405	64%	0.637	S	S	.	*	H	α-helix	trans	-70.4	-29.3	177.2	0	0	0	0	0	113.9	Y126 L127 S128 T133	Y126-A130 WeakPolarHBondContact O-CB 3.38Å; Y126-A130 PolarHBondContact O-N 3.46Å; Y126-A130 VanDerWaalsContact O-N 3.08Å; L127-A130 PolarHBondContact O-N 3.15Å; S128-A130 VanDerWaalsContact C-N 3.31Å; S128-A130 PolarHBondContact O-N 2.88Å; A130-T133 PolarHBondContact O-OG1 3.07Å
131	D	44.9	Very low	45.7	Very low	104 Å²	104	127 Å²	127	56%	0.556	66%	0.659	S	S	*	*	H	α-helix	trans	-85.3	-35.3	176.8	-102.9	-5.8	0	0	0	113	L127 S128 T133 R134 N135	L127-D131 PolarHBondContact O-N 3.3Å; S128-D131 PolarHBondContact O-N 3.33Å; D131-T133 VanDerWaalsContact C-N 3.3Å; D131-T133 PolarHBondContact O-N 2.83Å; D131-R134 PolarHBondContact O-N 2.69Å; D131-N135 PolarHBondContact O-ND2 3.35Å
132	E	49.7	Very low	43.8	Very low	150 Å²	150	131.6 Å²	131.6	70%	0.701	68%	0.678	S	S	*	*	H	α-helix	trans	-61.3	-39.7	172.4	-72	-163.8	135.1	0	0	111.8	S128 R134 N135	S128-E132 PolarHBondContact O-N 3.36Å; E132-R134 PolarHBondContact O-N 2.88Å; E132-N135 PolarHBondContact O-N 3.23Å
133	T	48.4	Very low	42.2	Very low	99 Å²	99	129.2 Å²	129.2	61%	0.607	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-5.6	179.2	48.6	0	0	0	0	114.7	I129 A130 D131	I129-T133 WeakPolarHBondContact O-CG2 3.47Å; I129-T133 PolarHBondContact O-N 2.88Å; I129-T133 PolarHBondContact O-OG1 3.09Å; A130-T133 PolarHBondContact O-OG1 3.07Å; D131-T133 VanDerWaalsContact C-N 3.3Å; D131-T133 PolarHBondContact O-N 2.83Å
134	R	39.8	Very low	40.7	Very low	208 Å²	208	129.9 Å²	129.9	79%	0.785	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-12.1	176.6	-92.5	179.8	164.1	171.9	-2	115.5	D131 E132	D131-R134 PolarHBondContact O-N 2.69Å; E132-R134 PolarHBondContact O-N 2.88Å
135	N	39.1	Very low	39.4	Very low	147 Å²	147	130.2 Å²	130.2	79%	0.786	71%	0.707	S	S	*	*	S	Bend	trans	-98.8	10.6	-168.9	-82	-59.3	0	0	0	116.1	D131 E132	D131-N135 PolarHBondContact O-ND2 3.35Å; E132-N135 PolarHBondContact O-N 3.23Å
136	S	37.3	Very low	37.8	Very low	103 Å²	103	128 Å²	128	72%	0.72	71%	0.706	S	S	*	*			trans	-111.5	102.5	-179.7	58.2	0	0	0	0	114.6
137	K	30	Very low	36.9	Very low	203 Å²	203	126.4 Å²	126.4	88%	0.883	71%	0.71	S	S	*	*			trans	-88.1	166.3	156.4	-85.2	-177.1	177.1	179	0	109.4
138	P	33.9	Very low	36	Very low	113 Å²	113	129.1 Å²	129.1	73%	0.734	72%	0.717	S	S	*	*			cis	-148.6	-160.5	30.2	44	-22.2	0	0	0	117.2
139	S	33.7	Very low	35.1	Very low	90 Å²	90	132.3 Å²	132.3	63%	0.629	73%	0.733	S	S	*	*			trans	76.3	93.7	152.1	55.7	0	0	0	0	121.5
140	D	28.1	Very low	34	Very low	157 Å²	157	131.1 Å²	131.1	84%	0.84	75%	0.746	S	S	*	*				56.2	117.3	112.4	-45.2	-21	0	0	0	121.8
141	C	28.9	Very low	33.3	Very low	138 Å²	138	136.9 Å²	136.9	93%	0.932	77%	0.77	S	S	*	*				-163	128	124.5	-110.1	0	0	0	0	110.7
142	E	24.4	Very low	32.6	Very low	182 Å²	182	139.6 Å²	139.6	85%	0.85	79%	0.785	S	S	*	*			trans	-92.2	151.4	179.5	-61.4	-178.5	116	0	0	112.9
143	S	28.2	Very low	31.4	Very low	125 Å²	125	137.8 Å²	137.8	87%	0.874	79%	0.788	S	S	*	*			trans	-149.5	117.1	147	68.3	0	0	0	0	110.8
144	V	25.8	Very low	30.5	Very low	107 Å²	107	144 Å²	144	65%	0.648	80%	0.801	S	S	*	*			trans	-97.9	136.9	-172	175	0	0	0	0	112
145	V	28	Very low	29.7	Very low	145 Å²	145	140 Å²	140	88%	0.879	80%	0.804	S	S	*	*			trans	-132.2	131.1	149.1	-178.3	0	0	0	0	107.6
146	S	24.7	Very low	29	Very low	85 Å²	85	138.5 Å²	138.5	59%	0.594	80%	0.8	S	S	*	*			trans	-159.2	120.7	-178.2	-67.2	0	0	0	0	112.6
147	D	30.5	Very low	28.3	Very low	152 Å²	152	143.6 Å²	143.6	81%	0.813	81%	0.809	S	S	*	*			trans	-126.8	127.2	156.2	-82.1	-51.4	0	0	0	106.2
148	K	30.9	Very low	28	Very low	178 Å²	178	140.1 Å²	140.1	77%	0.774	81%	0.805	S	S	*	*			cis	64.7	134	47.2	-60.9	-172.2	174.9	174.6	0	112.6
149	V	32.5	Very low	27.6	Very low	142 Å²	142	139.6 Å²	139.6	86%	0.861	80%	0.804	S	S	*	*			cis	-152.9	152.5	-5.8	114	0	0	0	0	108.1
150	G	30.8	Very low	27.1	Very low	77 Å²	77	141.7 Å²	141.7	79%	0.794	81%	0.813	S	S	*	*			trans	-171.9	66.4	-179	0	0	0	0	0	114.3
151	N	29.5	Very low	26.9	Very low	169 Å²	169	138.6 Å²	138.6	90%	0.904	81%	0.809	S	S	*	*			trans	-73.6	131	171.8	-114	5	0	0	0	110.1
152	D	30.7	Very low	26.8	Very low	162 Å²	162	141 Å²	141	87%	0.866	81%	0.807	S	S	*	*			trans	-146.7	124.7	149.3	-147	-10.9	0	0	0	110.8
153	S	25.1	Very low	26.8	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	81%	0.808	S	S	*	*			trans	-102.4	115.4	-166.9	59	0	0	0	0	111.4
154	R	27.8	Very low	26.7	Very low	230 Å²	230	139 Å²	139	87%	0.868	80%	0.804	S	S	*	*			trans	-130.9	89.2	176.2	-148.2	171.4	-165.7	172.9	4.3	113	V156	R154-V156 PolarHBondContact O-N 3Å
155	S	22.9	Very low	26.7	Very low	122 Å²	122	141.7 Å²	141.7	85%	0.853	81%	0.809	S	S	*	*			trans	-64.1	122	170	56.9	0	0	0	0	111
156	V	25.7	Very low	26.8	Very low	116 Å²	116	142.2 Å²	142.2	70%	0.703	81%	0.807	S	S	*	*			trans	-123.7	113	172.2	176.9	0	0	0	0	108.6	R154 V158	R154-V156 PolarHBondContact O-N 3Å; V156-V158 HydrophobicContact CG1-CG2 3.99Å
157	K	21.4	Very low	26.8	Very low	210 Å²	210	143.7 Å²	143.7	91%	0.913	81%	0.813	S	S	*	*			trans	-87	129.5	163.6	-68.1	179.3	176.6	-178.9	0	107.9
158	V	25.5	Very low	26.5	Very low	130 Å²	130	141.5 Å²	141.5	79%	0.788	81%	0.809	S	S	*	*			trans	-124.8	140.7	160.1	177.4	0	0	0	0	107.6	V156	V156-V158 HydrophobicContact CG1-CG2 3.99Å
159	S	25.1	Very low	26.2	Very low	103 Å²	103	139 Å²	139	72%	0.72	81%	0.809	S	S	*	*			trans	-85.9	161.1	-172.6	49.1	0	0	0	0	113.2
160	T	22.2	Very low	25.9	Very low	134 Å²	134	143 Å²	143	82%	0.822	81%	0.81	S	S	*	*			trans	-62	168	159.2	46.9	0	0	0	0	112.4
161	A	24.5	Very low	25.5	Very low	91 Å²	91	144.5 Å²	144.5	75%	0.752	81%	0.807	S	S	*	*			trans	81.3	147.3	-168.8	0	0	0	0	0	113
162	E	26.5	Very low	25.3	Very low	189 Å²	189	144 Å²	144	88%	0.883	80%	0.799	S	S	*	*			cis	-122.1	162.7	13.4	-70.4	176.3	123.1	0	0	114.3
163	I	23.6	Very low	25.1	Very low	169 Å²	169	143.3 Å²	143.3	87%	0.867	80%	0.795	S	S	*	*			trans	-94.8	129.8	167	-65.9	165.6	0	0	0	107.7
164	A	26.5	Very low	25.3	Very low	96 Å²	96	142.6 Å²	142.6	79%	0.793	79%	0.79	S	S	*	*			trans	-142.8	100	163.9	0	0	0	0	0	109.4
165	E	26.2	Very low	25.2	Very low	164 Å²	164	138.2 Å²	138.2	77%	0.766	78%	0.784	S	S	*	*			trans	-68.2	145.3	146.3	-61.5	-175.6	126.1	0	0	106.9
166	D	30.1	Very low	25.5	Very low	156 Å²	156	138 Å²	138	83%	0.834	78%	0.777	S	S	*	*			trans	-144.7	142.9	145.6	-143	-15.7	0	0	0	111.9
167	T	23.8	Very low	25.8	Very low	116 Å²	116	142.9 Å²	142.9	71%	0.712	78%	0.783	S	S	*	*			trans	-109	175.1	178.7	56.3	0	0	0	0	109.8
168	S	26.2	Very low	26.1	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	78%	0.783	S	S	*	*			trans	100.9	140.8	157	86.3	0	0	0	0	118.3
169	T	23.9	Very low	26.3	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	78%	0.783	S	S	*	*			trans	-45.5	134	164.8	47.4	0	0	0	0	113.4
170	Y	25.6	Very low	26.4	Very low	225 Å²	225	140.9 Å²	140.9	88%	0.882	79%	0.787	S	S	*	*			trans	-120	121.7	155.3	-131.2	-86.4	0	0	0	111.1
171	C	23.1	Very low	26.8	Very low	109 Å²	109	143 Å²	143	74%	0.736	79%	0.789	S	S	*	*			trans	-140.1	138.9	176.9	-157.7	0	0	0	0	109.3
172	Q	25.7	Very low	27	Very low	158 Å²	158	143 Å²	143	74%	0.738	79%	0.79	S	S	*	*			trans	75.9	121.4	172.5	-59.5	-163.8	2.4	0	0	119.9
173	L	25.1	Very low	27.1	Very low	148 Å²	148	142 Å²	142	78%	0.775	79%	0.79	S	S	*	*			trans	69.9	134	140.4	-58.2	166.5	0	0	0	117.8
174	S	29.4	Very low	27.5	Very low	97 Å²	97	139 Å²	139	68%	0.678	78%	0.781	S	S	*	*			cis	-159.5	143.7	32.4	66.5	0	0	0	0	117.3
175	N	26.6	Very low	27.8	Very low	139 Å²	139	144 Å²	144	74%	0.743	79%	0.788	S	S	*	*			trans	69.1	128.1	132.8	-79.3	-32.4	0	0	0	124.8
176	V	29.5	Very low	27.8	Very low	117 Å²	117	147.2 Å²	147.2	71%	0.709	79%	0.793	S	S	*	*			trans	81.2	129.9	138.9	170.3	0	0	0	0	116
177	R	30.5	Very low	27.8	Very low	219 Å²	219	148.7 Å²	148.7	83%	0.826	80%	0.795	S	S	*	*			cis	-153.1	123.3	35	-160.4	166.5	-104.2	-176.9	-6.3	115.9
178	K	27.8	Very low	28.1	Very low	210 Å²	210	153.6 Å²	153.6	91%	0.913	80%	0.8	S	S	*	*			trans	38.1	130.3	148	-61.9	-173.9	173.9	-173.2	0	122.6
179	G	30.3	Very low	28	Very low	76 Å²	76	156.4 Å²	156.4	78%	0.784	81%	0.805	S	S	*	*			trans	167.1	45.3	162	0	0	0	0	0	117.3
180	S	28	Very low	28.2	Very low	114 Å²	114	161.2 Å²	161.2	80%	0.797	81%	0.809	S	S	*	*				67	86.3	104	-176.7	0	0	0	0	118.4
181	M	29.1	Very low	28.1	Very low	178 Å²	178	160.2 Å²	160.2	88%	0.877	81%	0.81	S	S	*	*				179.1	152.4	117.6	-99.8	179.6	69.2	0	0	115.1
182	A	29.8	Very low	28.3	Very low	93 Å²	93	161.4 Å²	161.4	77%	0.769	81%	0.813	S	S	*	*			trans	53.6	104.2	154.9	0	0	0	0	0	122
183	L	27.5	Very low	28.2	Very low	168 Å²	168	162.5 Å²	162.5	88%	0.88	82%	0.816	S	S	*	*			trans	-102.1	180	150	-92.7	170.3	0	0	0	108.7
184	P	32.9	Very low	28.2	Very low	106 Å²	106	162.2 Å²	162.2	69%	0.688	82%	0.82	S	S	*	*			cis	-132.8	175.9	-20.2	36.7	-21	0	0	0	113.8
185	Q	32.2	Very low	28	Very low	201 Å²	201	168.6 Å²	168.6	94%	0.939	83%	0.829	S	S	*	*				-155.4	160.2	127.6	-117	178.5	17.4	0	0	113.4
186	R	26.4	Very low	28	Very low	230 Å²	230	166 Å²	166	87%	0.868	83%	0.827	S	S	*	*			trans	-108.4	131.9	-171.2	-69.4	166.9	161.4	170.6	-8	111.6
187	H	30.9	Very low	27.9	Very low	187 Å²	187	167 Å²	167	87%	0.866	84%	0.836	S	S	*	*			trans	-149.4	156	143.4	-77.5	-28	0	0	0	110.3
188	R	29	Very low	27.8	Very low	220 Å²	220	161.2 Å²	161.2	83%	0.83	84%	0.835	S	S	*	*			cis	-168.1	105.9	-42.2	179.3	176	-174.6	172.8	1.8	105.2	R190	R188-R190 PolarHBondContact O-N 2.67Å
189	I	25.2	Very low	28.1	Very low	163 Å²	163	159.6 Å²	159.6	84%	0.836	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-56.9	125.1	-179.7	-61.8	164.9	0	0	0	109.6
190	R	26.8	Very low	28.3	Very low	228 Å²	228	165.2 Å²	165.2	86%	0.86	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-100.5	118.7	164.8	-83.3	-174.5	167.9	-179.6	-3.2	108.6	R188	R188-R190 PolarHBondContact O-N 2.67Å
191	K	24.7	Very low	28.4	Very low	204 Å²	204	169.3 Å²	169.3	89%	0.887	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-83.7	126.1	157.2	-66.3	-176.8	176	-174.1	0	106.8
192	T	26.1	Very low	28.6	Very low	133 Å²	133	164.1 Å²	164.1	82%	0.816	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-102.8	138.4	169.5	-49	0	0	0	0	108.1
193	K	25.5	Very low	28.9	Very low	181 Å²	181	165.3 Å²	165.3	79%	0.787	84%	0.842	S	S	*	*			trans	-113.6	114.7	-172.3	-167.6	-174.9	-176.4	-168.7	0	108.2
194	V	25.1	Very low	29.5	Very low	142 Å²	142	162.6 Å²	162.6	86%	0.861	83%	0.834	S	S	*	*			trans	-69	142.2	175.7	-178.4	0	0	0	0	109.2
195	W	25	Very low	29.6	Very low	232 Å²	232	163.6 Å²	163.6	88%	0.879	83%	0.834	S	S	*	*			trans	-98.7	150.3	177.5	-78	53.3	0	0	0	110.6
196	A	26	Very low	29.8	Very low	85 Å²	85	160.5 Å²	160.5	70%	0.702	82%	0.824	S	S	*	*			trans	-111.7	147.1	161.5	0	0	0	0	0	108.5
197	P	26.4	Very low	30.1	Very low	136 Å²	136	154.4 Å²	154.4	88%	0.883	82%	0.815	S	S	*	*			trans	-77.4	144.3	-178.3	31.6	-34.6	0	0	0	111.9
198	A	29.9	Very low	30.3	Very low	99 Å²	99	152 Å²	152	82%	0.818	81%	0.809	S	S	*	*			trans	-134.3	146.8	166.1	0	0	0	0	0	108.7
199	I	33	Very low	30.7	Very low	175 Å²	175	147.9 Å²	147.9	90%	0.897	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-89.3	154.7	-171.1	-65.5	168.2	0	0	0	110.3
200	E	33.9	Very low	31.1	Very low	195 Å²	195	145.6 Å²	145.6	91%	0.911	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.5	158.8	-168.4	-60.9	-177	126.6	0	0	115.5
201	E	30.7	Very low	31.3	Very low	200 Å²	200	138.1 Å²	138.1	94%	0.935	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-81.5	158.3	-169.8	-59.5	-175.6	136.7	0	0	115
202	G	33.5	Very low	31.7	Very low	69 Å²	69	136.7 Å²	136.7	71%	0.711	80%	0.802	S	S	*	*			trans	-125.9	10.8	-173.4	0	0	0	0	0	117.5
203	S	36.9	Very low	31.8	Very low	118 Å²	118	139 Å²	139	83%	0.825	80%	0.803	S	S	*	*			trans	70	161.7	177.5	81.4	0	0	0	0	117.3
204	P	38.5	Very low	32.1	Very low	110 Å²	110	140.2 Å²	140.2	71%	0.714	81%	0.809	S	S	*	*			trans	-123	176.3	-153.1	41.5	-28.7	0	0	0	115.9
205	N	36	Very low	32.1	Very low	128 Å²	128	141.9 Å²	141.9	68%	0.684	81%	0.807	S	S	*	*				-175.5	150.8	119.9	-108.3	30.5	0	0	0	116.5
206	D	35.4	Very low	32.2	Very low	135 Å²	135	135.9 Å²	135.9	72%	0.722	80%	0.8	S	S	*	*			trans	73.5	124.3	144.8	-56.9	-27	0	0	0	125.3
207	C	34.6	Very low	32.2	Very low	103 Å²	103	137.1 Å²	137.1	70%	0.696	80%	0.804	S	S	*	*			trans	87.9	97.6	142.8	-73.4	0	0	0	0	123.3
208	D	33.7	Very low	32	Very low	136 Å²	136	136.3 Å²	136.3	73%	0.727	80%	0.8	S	S	*	*				60.4	121	121.1	-47.7	-40.8	0	0	0	120.1
209	T	37.2	Very low	32	Very low	134 Å²	134	139.6 Å²	139.6	82%	0.822	80%	0.803	S	S	*	*				-163.9	162.7	62.9	19.7	0	0	0	0	114.1
210	S	35.1	Very low	31.6	Very low	114 Å²	114	140 Å²	140	80%	0.797	80%	0.801	S	S	*	*			trans	-46.5	152.4	172.5	52.8	0	0	0	0	115.9
211	G	29.3	Very low	31.4	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	80%	0.797	S	S	*	*			cis	110.3	121.9	6.7	0	0	0	0	0	113.5
212	L	34.7	Very low	31.2	Very low	174 Å²	174	132.8 Å²	132.8	91%	0.911	80%	0.795	S	S	*	*			trans	-166.7	122	163.2	-110.3	175.1	0	0	0	109.6
213	E	27.5	Very low	31.1	Very low	182 Å²	182	135.2 Å²	135.2	85%	0.85	80%	0.8	S	S	*	*			trans	-100.7	161.2	174	-63.6	179.6	132.5	0	0	111.1
214	F	31	Very low	30.6	Very low	206 Å²	206	137.4 Å²	137.4	90%	0.904	80%	0.798	S	S	*	*			trans	-146.1	108.7	157.7	-123.9	-82.4	0	0	0	111.2
215	E	26	Very low	30.2	Very low	178 Å²	178	137.3 Å²	137.3	83%	0.832	81%	0.806	S	S	*	*			trans	-92.5	-174.9	171.3	-105.5	-151	148.2	0	0	111.7
216	S	27	Very low	29.8	Very low	105 Å²	105	140 Å²	140	73%	0.734	81%	0.812	S	S	*	*			trans	82.8	146.8	166.3	89.4	0	0	0	0	115.8
217	S	25.5	Very low	29.6	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	82%	0.819	S	S	*	*			cis	-159.6	176	-10.8	36.6	0	0	0	0	112
218	C	23.3	Very low	29.2	Very low	118 Å²	118	139.8 Å²	139.8	80%	0.797	82%	0.822	S	S	*	*			trans	-55	158.5	177.9	-45.3	0	0	0	0	114.7
219	L	29.2	Very low	29	Very low	169 Å²	169	140 Å²	140	89%	0.885	83%	0.832	S	S	*	*				-165.1	145.1	124.3	-108.8	164.2	0	0	0	113.1
220	E	25.1	Very low	28.5	Very low	183 Å²	183	142.1 Å²	142.1	86%	0.855	83%	0.833	S	S	*	*			trans	-78.1	147.7	165.5	-58.1	173.1	116.4	0	0	110
221	S	30	Very low	28.3	Very low	118 Å²	118	147.9 Å²	147.9	83%	0.825	84%	0.838	S	S	*	*			trans	-156.8	116.7	151.5	44.5	0	0	0	0	112
222	S	26.5	Very low	28.2	Very low	126 Å²	126	154.8 Å²	154.8	88%	0.881	84%	0.841	S	S	*	*			trans	-87.5	139.7	160.8	60.6	0	0	0	0	108.9
223	S	31.7	Very low	27.9	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	84%	0.836	S	S	*	*			trans	-146.9	147.3	166.1	60	0	0	0	0	111
224	Q	26.3	Very low	28.1	Very low	165 Å²	165	152.1 Å²	152.1	77%	0.771	84%	0.838	S	S	*	*			trans	-96.4	135.1	-175.7	-61.9	176.4	-2.2	0	0	110.3
225	A	30.2	Very low	28	Very low	108 Å²	108	147.4 Å²	147.4	89%	0.893	83%	0.829	S	S	*	*			trans	-121.4	106.9	159.6	0	0	0	0	0	108.9
226	K	26.8	Very low	28.3	Very low	184 Å²	184	149 Å²	149	80%	0.8	84%	0.836	S	S	*	*			trans	-93.6	131.7	172.3	-63.9	171.8	-174.9	167	0	108.9
227	S	31.1	Very low	28.5	Very low	126 Å²	126	147.7 Å²	147.7	88%	0.881	84%	0.84	S	S	*	*			trans	-129.6	141.7	148.8	63.5	0	0	0	0	108.2
228	S	25.7	Very low	28.5	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	84%	0.839	S	S	*	*			trans	-127.8	138.6	-170.2	55.3	0	0	0	0	111.5
229	C	29.4	Very low	28.9	Very low	140 Å²	140	149.1 Å²	149.1	95%	0.946	84%	0.838	S	S	*	*			trans	-141.7	134.1	150.1	-99.7	0	0	0	0	109.1
230	Q	26.8	Very low	28.9	Very low	179 Å²	179	149.7 Å²	149.7	84%	0.836	84%	0.836	S	S	*	*			trans	-145.6	121.7	-164.5	-175.4	-175.3	10.5	0	0	110.1
231	R	30.5	Very low	29.2	Very low	236 Å²	236	146.7 Å²	146.7	89%	0.891	83%	0.83	S	S	*	*			trans	-151.6	101.4	163.3	-109.9	175.4	-91.8	-170	-3.8	106.2
232	R	27.9	Very low	29.3	Very low	216 Å²	216	147 Å²	147	82%	0.815	83%	0.829	S	S	*	*				59.8	102.7	95.8	-70.5	-169.4	-179.2	-165.5	1.1	111.2
233	L	27.6	Very low	29.3	Very low	153 Å²	153	150.7 Å²	150.7	80%	0.801	83%	0.83	S	S	*	*				74.2	107.8	68.8	-74.5	170.5	0	0	0	113.5
234	T	31.8	Very low	29.4	Very low	146 Å²	146	150.8 Å²	150.8	90%	0.896	83%	0.831	S	S	*	*			trans	-169.2	123.8	130.2	11.3	0	0	0	0	109.2
235	P	30.5	Very low	29.4	Very low	108 Å²	108	147.5 Å²	147.5	70%	0.701	83%	0.825	S	S	*	*			trans	-104.3	138	164.1	35.7	-27.5	0	0	0	110.9
236	E	31	Very low	29.6	Very low	210 Å²	210	151.8 Å²	151.8	98%	0.981	83%	0.825	S	S	*	*			trans	172.9	160.5	154.9	-102.8	163.3	-146.9	0	0	108.9
237	G	32	Very low	29.9	Very low	79 Å²	79	148.2 Å²	148.2	81%	0.814	82%	0.818	S	S	*	*			trans	120.4	75.6	173.8	0	0	0	0	0	115.2
238	S	25.9	Very low	30	Very low	111 Å²	111	148.8 Å²	148.8	78%	0.776	81%	0.811	S	S	*	*			trans	-74.3	153.7	156.9	49.8	0	0	0	0	110.5
239	I	31.1	Very low	30.4	Very low	148 Å²	148	151.6 Å²	151.6	76%	0.759	82%	0.817	S	S	*	*			trans	179.8	120.1	135.9	-93.9	154	0	0	0	111
240	Q	30.1	Very low	30.6	Very low	181 Å²	181	148 Å²	148	85%	0.846	80%	0.804	S	S	*	*			trans	39.7	137.7	142.8	-55.7	172.6	-28.8	0	0	122.5
241	T	30.3	Very low	30.8	Very low	121 Å²	121	146 Å²	146	74%	0.742	81%	0.809	S	S	*	*			trans	-66	172.8	157.1	49.5	0	0	0	0	111.7
242	P	32.2	Very low	30.9	Very low	123 Å²	123	138.9 Å²	138.9	80%	0.799	80%	0.8	S	S	*	*				-137.5	152	111.1	37.7	-28.6	0	0	0	115
243	F	27.3	Very low	31	Very low	205 Å²	205	133.9 Å²	133.9	90%	0.899	80%	0.798	S	S	*	*			trans	-75.1	150.9	155.7	-84.8	-110.5	0	0	0	109.7
244	S	32.1	Very low	31.2	Very low	121 Å²	121	135.3 Å²	135.3	85%	0.846	80%	0.803	S	S	*	*			trans	-147.8	107.9	155.9	63.5	0	0	0	0	111.1
245	S	28.2	Very low	31	Very low	95 Å²	95	136.3 Å²	136.3	66%	0.664	80%	0.798	S	S	*	*			trans	-84.3	140.1	165.8	52.5	0	0	0	0	111.2
246	F	32.7	Very low	31	Very low	199 Å²	199	139.6 Å²	139.6	87%	0.873	80%	0.803	S	S	*	*			trans	-164.3	124.6	143.4	-91.1	-79	0	0	0	105.5
247	V	32.8	Very low	31	Very low	108 Å²	108	138.1 Å²	138.1	66%	0.655	79%	0.794	S	S	*	*			cis	105.3	141.2	33.3	164.2	0	0	0	0	111.7
248	D	34.8	Very low	30.7	Very low	139 Å²	139	139.2 Å²	139.2	74%	0.743	79%	0.789	S	S	*	*			trans	82.4	121.3	169.2	-64.1	-22.1	0	0	0	123.3
249	D	33.8	Very low	30.9	Very low	165 Å²	165	144 Å²	144	88%	0.882	80%	0.796	S	S	*	*			trans	80.2	132.9	133.3	-85.2	-23.7	0	0	0	125.3
250	G	32.5	Very low	30.8	Very low	65 Å²	65	146 Å²	146	67%	0.67	80%	0.803	S	S	*	*				139.2	72.4	121.4	0	0	0	0	0	120.8
251	C	32.2	Very low	30.8	Very low	138 Å²	138	140.2 Å²	140.2	93%	0.932	79%	0.791	S	S	*	*			trans	63	160.6	150.5	-75	0	0	0	0	119.4
252	A	32.7	Very low	30.8	Very low	86 Å²	86	142.1 Å²	142.1	71%	0.711	80%	0.797	S	S	*	*			cis	-155.2	158.6	-18.2	0	0	0	0	0	111.9
253	S	28.8	Very low	30.9	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	80%	0.796	S	S	*	*			trans	-22.4	145.7	167.5	56.7	0	0	0	0	120.8
254	M	32.6	Very low	31.2	Very low	183 Å²	183	136 Å²	136	90%	0.901	78%	0.779	S	S	*	*				-146.4	130.8	125.6	-170.3	164.1	174.1	0	0	110.8
255	E	27	Very low	31.5	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	78%	0.782	S	S	*	*			trans	-105.5	148	-179	-58.3	175.5	106.3	0	0	112.4
256	Q	31.8	Very low	32.1	Very low	176 Å²	176	139.4 Å²	139.4	82%	0.822	79%	0.787	S	S	*	*			trans	-161.4	101.8	141.7	-109	168.8	-1.1	0	0	108.7
257	K	30.9	Very low	32.8	Very low	179 Å²	179	134.6 Å²	134.6	78%	0.778	77%	0.77	S	S	*	*				74.9	87.6	92.7	-75.6	-170.7	176.2	-174.1	0	115.7
258	S	25.3	Very low	33.4	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	77%	0.773	S	S	*	*				35.4	123.2	124.4	62.1	0	0	0	0	120
259	F	29.9	Very low	33.7	Very low	210 Å²	210	136.8 Å²	136.8	92%	0.921	77%	0.767	S	S	*	*				-146	145.4	123.3	-129.8	-88	0	0	0	110.3
260	E	28.8	Very low	34.7	Very low	191 Å²	191	131.2 Å²	131.2	89%	0.893	74%	0.744	S	S	*	*			trans	-81.7	146.5	172.3	-67.7	164.3	120.8	0	0	109.6
261	G	30.4	Very low	35.3	Very low	59 Å²	59	130.9 Å²	130.9	61%	0.608	74%	0.735	S	S	*	*			trans	-163	78	-173.6	0	0	0	0	0	111.7	N263	G261-N263 PolarHBondContact O-N 3.09Å; G261-N263 PolarHBondContact O-ND2 2.92Å
262	D	29.4	Very low	36	Very low	162 Å²	162	128 Å²	128	87%	0.866	71%	0.709	S	S	*	*			trans	-57.3	128.8	174.2	-171.7	17	0	0	0	110.6
263	N	35.7	Very low	36.9	Very low	144 Å²	144	128.1 Å²	128.1	77%	0.77	70%	0.698	S	S	*	*			trans	-142.6	108	179.5	-78.9	-85.6	0	0	0	107.8	G261	G261-N263 PolarHBondContact O-N 3.09Å; G261-N263 PolarHBondContact O-ND2 2.92Å
264	G	32.8	Very low	38.2	Very low	54 Å²	54	127.3 Å²	127.3	56%	0.557	69%	0.688	S	S	*	*			trans	-67.4	179.4	178.6	0	0	0	0	0	113.6	I266	G264-I266 PolarHBondContact O-N 2.88Å
265	P	38	Very low	38.5	Very low	137 Å²	137	120.7 Å²	120.7	89%	0.89	66%	0.663	S	S	*	*			trans	-57.9	127.6	177.6	25.6	-34	0	0	0	110.6	D267	P265-D267 PolarHBondContact O-N 2.74Å
266	I	41.1	Very low	39.2	Very low	151 Å²	151	118 Å²	118	77%	0.774	65%	0.649	S	S	*	*			trans	-66.5	127.5	175.7	-64	171.7	0	0	0	108.1	G264 E268	G264-I266 PolarHBondContact O-N 2.88Å; I266-E268 PolarHBondContact O-N 3.25Å; I266-E268 VanDerWaalsContact O-N 3.13Å
267	D	47.2	Very low	40.3	Very low	98 Å²	98	113.3 Å²	113.3	52%	0.524	64%	0.636	S	S	.	*			trans	-69	106.5	175	-178.2	8.5	0	0	0	110.3	P265 K269 A270 A271	P265-D267 PolarHBondContact O-N 2.74Å; D267-K269 PolarHBondContact O-N 3.36Å; D267-K269 WeakPolarHBondContact OD1-CB 3.43Å; D267-K269 PolarHBondContact OD1-N 3.1Å; D267-A270 HydrophobicContact CB-CB 4.17Å; D267-A270 PolarHBondContact O-N 2.93Å; D267-A270 VanDerWaalsContact O-N 3.16Å; D267-A271 PolarHBondContact O-N 3.14Å
268	E	45	Very low	41	Very low	152 Å²	152	110 Å²	110	71%	0.71	63%	0.626	S	S	*	*	H	α-helix	trans	-59.9	-23.3	177.3	-67.2	-174.8	144.4	0	0	111.9	I266 L272	I266-E268 PolarHBondContact O-N 3.25Å; I266-E268 VanDerWaalsContact O-N 3.13Å; E268-L272 PolarHBondContact O-N 3.4Å; E268-L272 VanDerWaalsContact O-N 3.14Å
269	K	42.3	Very low	41.8	Very low	141 Å²	141	110.8 Å²	110.8	61%	0.613	62%	0.621	S	S	*	*	H	α-helix	trans	-68.8	-47.6	174.6	-167.2	-178.7	178.3	-176.6	0	111.6	D267 A271 L272 D273	D267-K269 PolarHBondContact O-N 3.36Å; D267-K269 WeakPolarHBondContact OD1-CB 3.43Å; D267-K269 PolarHBondContact OD1-N 3.1Å; K269-A271 VanDerWaalsContact C-N 3.26Å; K269-A271 PolarHBondContact O-N 2.92Å; K269-L272 PolarHBondContact O-N 3.06Å; K269-L272 VanDerWaalsContact O-N 3.1Å; K269-D273 PolarHBondContact O-N 3.22Å
270	A	53.6	Low	42.5	Very low	49 Å²	49	104.5 Å²	104.5	41%	0.405	60%	0.603	S	S	.	*	H	α-helix	trans	-62.6	-33.4	176.4	0	0	0	0	0	112.4	D267 V274	D267-A270 HydrophobicContact CB-CB 4.17Å; D267-A270 PolarHBondContact O-N 2.93Å; D267-A270 VanDerWaalsContact O-N 3.16Å; A270-V274 WeakPolarHBondContact O-CG2 3.37Å; A270-V274 PolarHBondContact O-N 3.48Å
271	A	45.6	Very low	43.2	Very low	58 Å²	58	99 Å²	99	48%	0.479	59%	0.59	S	S	.	*	H	α-helix	trans	-65.9	-38.8	173.2	0	0	0	0	0	112.5	D267 K269 A275	D267-A271 PolarHBondContact O-N 3.14Å; K269-A271 VanDerWaalsContact C-N 3.26Å; K269-A271 PolarHBondContact O-N 2.92Å; A271-A275 PolarHBondContact O-N 3.13Å
272	L	47.5	Very low	43.9	Very low	76 Å²	76	102.8 Å²	102.8	40%	0.398	60%	0.596	S	S	.	*	H	α-helix	trans	-70.1	-42.7	175.1	-77.3	167.1	0	0	0	112.6	E268 K269 V274 A275 F276	E268-L272 PolarHBondContact O-N 3.4Å; E268-L272 VanDerWaalsContact O-N 3.14Å; K269-L272 PolarHBondContact O-N 3.06Å; K269-L272 VanDerWaalsContact O-N 3.1Å; L272-V274 VanDerWaalsContact C-N 3.3Å; L272-V274 PolarHBondContact O-N 2.89Å; L272-A275 WeakPolarHBondContact O-CB 3.48Å; L272-A275 PolarHBondContact O-N 3.49Å; L272-F276 WeakPolarHBondContact O-CD2 3.41Å; L272-F276 PolarHBondContact O-N 2.9Å
273	D	50.9	Low	44.3	Very low	90 Å²	90	99 Å²	99	48%	0.481	59%	0.587	S	S	.	*	H	α-helix	trans	-63	-35.6	-179.9	-72.2	-24.1	0	0	0	112	K269 S277	K269-D273 PolarHBondContact O-N 3.22Å; D273-S277 WeakPolarHBondContact O-CB 3.45Å; D273-S277 PolarHBondContact O-N 3.31Å; D273-S277 PolarHBondContact O-OG 2.96Å
274	V	57.2	Low	44.2	Very low	92 Å²	92	100 Å²	100	56%	0.558	59%	0.587	S	S	*	*	H	α-helix	trans	-68.2	-39.3	171.5	172.8	0	0	0	0	111.8	A270 L272 S277 L278	A270-V274 WeakPolarHBondContact O-CG2 3.37Å; A270-V274 PolarHBondContact O-N 3.48Å; L272-V274 VanDerWaalsContact C-N 3.3Å; L272-V274 PolarHBondContact O-N 2.89Å; V274-S277 PolarHBondContact O-N 3.29Å; V274-L278 HydrophobicContact CG1-CD1 4.3Å; V274-L278 PolarHBondContact O-N 3.41Å
275	A	39.1	Very low	44.3	Very low	44 Å²	44	105.6 Å²	105.6	36%	0.364	61%	0.605	S	S	.	*	H	α-helix	trans	-65.5	-44.7	176.7	0	0	0	0	0	112.1	A271 L272 L278 I279	A271-A275 PolarHBondContact O-N 3.13Å; L272-A275 WeakPolarHBondContact O-CB 3.48Å; L272-A275 PolarHBondContact O-N 3.49Å; A275-L278 PolarHBondContact O-N 2.91Å; A275-I279 WeakPolarHBondContact O-CG1 3.43Å; A275-I279 PolarHBondContact O-N 2.84Å; A275-I279 VanDerWaalsContact O-N 3.08Å
276	F	40.8	Very low	43.9	Very low	112 Å²	112	102.7 Å²	102.7	49%	0.491	60%	0.599	S	S	.	*	H	α-helix	trans	-63.1	-42.1	174.1	-84.6	-71.5	0	0	0	112	L272 L278 I279 S280	L272-F276 WeakPolarHBondContact O-CD2 3.41Å; L272-F276 PolarHBondContact O-N 2.9Å; F276-L278 VanDerWaalsContact C-N 3.3Å; F276-L278 PolarHBondContact O-N 2.97Å; F276-I279 PolarHBondContact O-N 3.06Å; F276-I279 VanDerWaalsContact O-N 3.11Å; F276-S280 PolarHBondContact O-N 3.43Å; F276-S280 PolarHBondContact O-OG 3.36Å
277	S	53.9	Low	43.3	Very low	78 Å²	78	104.6 Å²	104.6	55%	0.545	61%	0.605	S	S	.	*	H	α-helix	trans	-58.5	-40.3	175.9	-61.3	0	0	0	0	112.5	D273 V274 A281	D273-S277 WeakPolarHBondContact O-CB 3.45Å; D273-S277 PolarHBondContact O-N 3.31Å; D273-S277 PolarHBondContact O-OG 2.96Å; V274-S277 PolarHBondContact O-N 3.29Å; S277-A281 VanDerWaalsContact O-CB 3.23Å; S277-A281 WeakPolarHBondContact O-CB 3.28Å; S277-A281 PolarHBondContact O-N 2.75Å; S277-A281 VanDerWaalsContact O-N 3.07Å
278	L	47.4	Very low	42.6	Very low	109 Å²	109	105.3 Å²	105.3	57%	0.571	62%	0.618	S	S	*	*	H	α-helix	trans	-72.3	-26.5	176.2	-86.7	164.4	0	0	0	113.9	V274 A275 F276 N282	V274-L278 HydrophobicContact CG1-CD1 4.3Å; V274-L278 PolarHBondContact O-N 3.41Å; A275-L278 PolarHBondContact O-N 2.91Å; F276-L278 VanDerWaalsContact C-N 3.3Å; F276-L278 PolarHBondContact O-N 2.97Å; L278-N282 PolarHBondContact O-ND2 2.91Å
279	I	41.5	Very low	42.1	Very low	120 Å²	120	102.9 Å²	102.9	62%	0.615	62%	0.617	S	S	*	*	H	α-helix	trans	-78.2	-47.2	175.6	-68.9	166.2	0	0	0	110.1	A275 F276 A281 N282	A275-I279 WeakPolarHBondContact O-CG1 3.43Å; A275-I279 PolarHBondContact O-N 2.84Å; A275-I279 VanDerWaalsContact O-N 3.08Å; F276-I279 PolarHBondContact O-N 3.06Å; F276-I279 VanDerWaalsContact O-N 3.11Å; I279-A281 PolarHBondContact O-N 2.83Å; I279-N282 PolarHBondContact O-N 2.99Å
280	S	44.5	Very low	41.6	Very low	78 Å²	78	101.2 Å²	101.2	55%	0.545	62%	0.623	S	S	.	*	H	α-helix	trans	-62.3	-41.2	177.6	-60.8	0	0	0	0	112.7	F276 N282 A283	F276-S280 PolarHBondContact O-N 3.43Å; F276-S280 PolarHBondContact O-OG 3.36Å; S280-N282 PolarHBondContact O-N 3.42Å; S280-N282 VanDerWaalsContact O-N 3.11Å; S280-A283 PolarHBondContact O-N 3.02Å; S280-A283 VanDerWaalsContact O-N 3.08Å
281	A	44.1	Very low	40.6	Very low	75 Å²	75	104.7 Å²	104.7	62%	0.62	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-13.9	179.9	0	0	0	0	0	114.7	S277 I279	S277-A281 VanDerWaalsContact O-CB 3.23Å; S277-A281 WeakPolarHBondContact O-CB 3.28Å; S277-A281 PolarHBondContact O-N 2.75Å; S277-A281 VanDerWaalsContact O-N 3.07Å; I279-A281 PolarHBondContact O-N 2.83Å
282	N	44.2	Very low	39.9	Very low	138 Å²	138	106.5 Å²	106.5	74%	0.738	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-1.1	176.3	-77.1	-67.3	0	0	0	113.7	L278 I279 S280	L278-N282 PolarHBondContact O-ND2 2.91Å; I279-N282 PolarHBondContact O-N 2.99Å; S280-N282 PolarHBondContact O-N 3.42Å; S280-N282 VanDerWaalsContact O-N 3.11Å
283	A	37.1	Very low	39.1	Very low	82 Å²	82	109.9 Å²	109.9	68%	0.678	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-23.9	179	0	0	0	0	0	113.8	S280	S280-A283 PolarHBondContact O-N 3.02Å; S280-A283 VanDerWaalsContact O-N 3.08Å
284	E	35.1	Very low	38.2	Very low	167 Å²	167	112.9 Å²	112.9	78%	0.78	68%	0.682	S	S	*	*	S	Bend	trans	-109.7	72.1	-171.6	-65	-168.8	161.3	0	0	113.3
285	N	34.3	Very low	36.9	Very low	171 Å²	171	113.8 Å²	113.8	91%	0.914	69%	0.691	S	S	*	*			trans	-164	134.8	159.2	-107.5	-67.1	0	0	0	112.8
286	G	29	Very low	36.5	Very low	75 Å²	75	117.1 Å²	117.1	77%	0.773	71%	0.711	S	S	*	*			trans	111.8	48.5	153.3	0	0	0	0	0	119.9
287	Q	29.8	Very low	36.5	Very low	191 Å²	191	116.9 Å²	116.9	89%	0.893	72%	0.722	S	S	*	*			trans	-130.5	111.9	153.9	-73.6	-162.2	13.5	0	0	112.8
288	S	32.5	Very low	35.6	Very low	114 Å²	114	123.9 Å²	123.9	80%	0.797	74%	0.736	S	S	*	*			trans	151.3	158.8	134.4	59.5	0	0	0	0	114.3
289	S	33.9	Very low	35	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	75%	0.746	S	S	*	*			trans	60.4	84.8	167	58.7	0	0	0	0	120.3
290	S	31.4	Very low	34.8	Very low	106 Å²	106	127.9 Å²	127.9	74%	0.741	75%	0.752	S	S	*	*				44.9	158.5	114.3	62.4	0	0	0	0	124.1
291	T	32.9	Very low	34.4	Very low	122 Å²	122	128.9 Å²	128.9	75%	0.748	76%	0.759	S	S	*	*			trans	76.5	76.2	156.4	36.4	0	0	0	0	120.7
292	S	29.6	Very low	34	Very low	97 Å²	97	132.4 Å²	132.4	68%	0.678	77%	0.766	S	S	*	*				70.4	145.1	112.4	71.3	0	0	0	0	123.5
293	L	32.7	Very low	33.7	Very low	146 Å²	146	131.9 Å²	131.9	76%	0.764	76%	0.763	S	S	*	*			trans	94.1	106.3	155.6	-57.2	-179.5	0	0	0	121
294	L	31.2	Very low	33.7	Very low	153 Å²	153	135.7 Å²	135.7	80%	0.801	77%	0.772	S	S	*	*				82.4	149.9	128.5	-68	169.2	0	0	0	123
295	C	30.4	Very low	33.8	Very low	111 Å²	111	131.5 Å²	131.5	75%	0.75	77%	0.767	S	S	*	*			trans	78.2	74.6	155.7	-69.3	0	0	0	0	121.9
296	S	30	Very low	34	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	76%	0.759	S	S	*	*				15.7	164.4	98.5	-54.2	0	0	0	0	120.7
297	P	41.5	Very low	34.3	Very low	108 Å²	108	133.1 Å²	133.1	70%	0.701	76%	0.756	S	S	*	*			cis	-145.1	-173.6	-33.5	39.1	-20.5	0	0	0	114.3
298	R	34.5	Very low	34.6	Very low	224 Å²	224	129.4 Å²	129.4	85%	0.845	75%	0.751	S	S	*	*			trans	146.3	150.4	145.1	-81.7	162.9	179.7	-173.9	1.3	111.1
299	R	35.1	Very low	34.7	Very low	209 Å²	209	128.9 Å²	128.9	79%	0.789	75%	0.747	S	S	*	*			cis	-160.8	146.7	11.7	-143.4	179	-172.2	174.5	0	112.3
300	S	36.8	Very low	34.6	Very low	105 Å²	105	128 Å²	128	73%	0.734	75%	0.747	S	S	*	*			trans	59.1	148.4	154.1	38	0	0	0	0	118.5
301	S	37	Very low	34.8	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	75%	0.749	S	S	*	*			cis	178.6	163.7	4.9	41.9	0	0	0	0	107.6
302	L	34.8	Very low	34.7	Very low	148 Å²	148	131.4 Å²	131.4	78%	0.775	75%	0.745	S	S	*	*			cis	-164.5	172.2	-1.4	-133.6	62	0	0	0	106.7
303	D	37.9	Very low	35	Very low	127 Å²	127	137 Å²	137	68%	0.679	76%	0.758	S	S	*	*				-148.8	160.4	-70.3	-81.7	-22.5	0	0	0	108.6
304	D	36.8	Very low	34.9	Very low	162 Å²	162	138.5 Å²	138.5	87%	0.866	76%	0.761	S	S	*	*			trans	65.7	157.6	166	-59.1	-22.2	0	0	0	120.1
305	A	36.8	Very low	35.1	Very low	80 Å²	80	134.1 Å²	134.1	66%	0.661	75%	0.752	S	S	*	*			cis	-157.2	144.1	18.2	0	0	0	0	0	116.7
306	I	38.7	Very low	35.3	Very low	145 Å²	145	136.9 Å²	136.9	74%	0.744	76%	0.76	S	S	*	*				90.2	114.7	125.4	-76.3	170.4	0	0	0	123.7
307	N	35.8	Very low	35.7	Very low	134 Å²	134	137 Å²	137	72%	0.717	76%	0.761	S	S	*	*			trans	62.6	119.1	142.5	-62.6	3.8	0	0	0	122.1
308	S	36.3	Very low	35.6	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	77%	0.765	S	S	*	*				90.8	148.5	76.8	-56.2	0	0	0	0	113.1
309	S	34.1	Very low	35.8	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	76%	0.757	S	S	*	*			cis	-149.5	124.8	6.9	-172.5	0	0	0	0	108.2
310	A	33.2	Very low	35.7	Very low	83 Å²	83	126.6 Å²	126.6	69%	0.686	75%	0.753	S	S	*	*				49.1	111.5	90	0	0	0	0	0	117.3
311	H	35	Very low	35.7	Very low	171 Å²	171	128.7 Å²	128.7	79%	0.792	76%	0.756	S	S	*	*			trans	168.5	112.1	135.1	-96.5	-75.8	0	0	0	108.2
312	L	31.3	Very low	35.7	Very low	127 Å²	127	128.4 Å²	128.4	67%	0.665	76%	0.76	S	S	*	*				70.7	113.6	63.5	-72.1	172.2	0	0	0	115.3
313	F	34.5	Very low	35.6	Very low	216 Å²	216	128.9 Å²	128.9	95%	0.947	76%	0.758	S	S	*	*			trans	-152	133.1	136	-119.1	-77.2	0	0	0	110.3
314	E	31.2	Very low	35.3	Very low	177 Å²	177	130.7 Å²	130.7	83%	0.827	76%	0.76	S	S	*	*			trans	-108.7	170.3	-178.8	-60.1	170.6	110.8	0	0	110.9
315	G	34.4	Very low	35	Very low	60 Å²	60	127.7 Å²	127.7	62%	0.619	76%	0.757	S	S	*	*			trans	176.2	70.8	171.3	0	0	0	0	0	119.7
316	N	35.1	Very low	34.9	Very low	170 Å²	170	133 Å²	133	91%	0.909	77%	0.769	S	S	*	*			trans	68.1	154.4	152.5	-49.6	-34.5	0	0	0	117.7
317	S	38.2	Very low	34.6	Very low	117 Å²	117	130.5 Å²	130.5	82%	0.818	76%	0.764	S	S	*	*			cis	-147.1	143	7.9	49.9	0	0	0	0	114.7
318	S	39.2	Very low	34.5	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	78%	0.775	S	S	*	*			trans	-61.5	-178.5	168	-81.7	0	0	0	0	117
319	P	38.5	Very low	34.4	Very low	105 Å²	105	137.4 Å²	137.4	68%	0.682	77%	0.773	S	S	*	*			cis	-145.5	-166.3	-34	40.2	-21.3	0	0	0	114.8
320	C	34.8	Very low	34.5	Very low	105 Å²	105	136 Å²	136	71%	0.709	77%	0.768	S	S	*	*			trans	75.5	140.7	151.4	-74.8	0	0	0	0	118.7
321	D	36.6	Very low	35	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	76%	0.757	S	S	*	*			cis	-148.9	164.1	7.4	-95.7	-38.6	0	0	0	113.9
322	A	36.1	Very low	35.2	Very low	93 Å²	93	138 Å²	138	77%	0.769	76%	0.759	S	S	*	*			trans	72	133.5	154.7	0	0	0	0	0	122.9
323	E	32.5	Very low	36.1	Very low	157 Å²	157	138.2 Å²	138.2	73%	0.734	76%	0.757	S	S	*	*			trans	13	147.4	147	-58.2	-162.3	142.2	0	0	121.7
324	K	33.3	Very low	36.9	Very low	166 Å²	166	131.3 Å²	131.3	72%	0.722	73%	0.73	S	S	*	*			cis	-153.6	167.6	13.8	-129.5	155.9	-168.6	141.6	0	110.4
325	A	29.8	Very low	37.5	Very low	98 Å²	98	128.7 Å²	128.7	81%	0.81	72%	0.716	S	S	*	*			trans	-101.3	131.9	176.5	0	0	0	0	0	111.4
326	E	33.5	Very low	38.4	Very low	193 Å²	193	129.1 Å²	129.1	90%	0.902	71%	0.706	S	S	*	*			trans	-143.1	160.9	172.6	-121.8	159.1	-131.1	0	0	111
327	S	33.4	Very low	39.6	Very low	92 Å²	92	124.5 Å²	124.5	64%	0.643	68%	0.682	S	S	*	*			trans	-78.5	147.4	-160.6	50.7	0	0	0	0	115	F329	S327-F329 PolarHBondContact O-N 3.4Å
328	K	32.6	Very low	40.5	Very low	217 Å²	217	124.7 Å²	124.7	94%	0.943	67%	0.67	S	S	*	*			trans	-63.9	93.2	169.1	-70.2	-174.2	176.2	-173.2	0	111.8
329	F	34.4	Very low	41.1	Very low	176 Å²	176	124.4 Å²	124.4	77%	0.772	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-92.7	133.9	151	-83.9	-91.7	0	0	0	108.8	S327 T331	S327-F329 PolarHBondContact O-N 3.4Å; F329-T331 PolarHBondContact O-N 2.93Å
330	A	37.5	Very low	41.9	Very low	72 Å²	72	124 Å²	124	60%	0.595	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-66.1	126.3	172.5	0	0	0	0	0	108.8	D334	A330-D334 HydrophobicContact CB-CB 4.38Å
331	T	43.8	Very low	43.2	Very low	76 Å²	76	123.8 Å²	123.8	47%	0.466	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-81.1	163.9	-179	64.8	0	0	0	0	110.7	F329 Q333 D334	F329-T331 PolarHBondContact O-N 2.93Å; T331-Q333 PolarHBondContact O-N 3.28Å; T331-Q333 VanDerWaalsContact O-N 3.09Å; T331-Q333 VanDerWaalsContact OG1-CB 3.27Å; T331-Q333 WeakPolarHBondContact OG1-CB 3.28Å; T331-Q333 PolarHBondContact OG1-N 3.46Å; T331-D334 PolarHBondContact N-OD2 3.22Å; T331-D334 WeakPolarHBondContact O-CB 3.48Å; T331-D334 PolarHBondContact O-N 2.85Å; T331-D334 PolarHBondContact OG1-OD2 3.46Å
332	R	38.4	Very low	43.8	Very low	220 Å²	220	120.2 Å²	120.2	83%	0.83	62%	0.62	S	S	*	*	H	α-helix	trans	-57.7	-23.4	172	-167.3	173.8	-179.7	174.6	0.6	112.6	T336	R332-T336 WeakPolarHBondContact O-CB 3.38Å; R332-T336 PolarHBondContact O-N 2.93Å; R332-T336 VanDerWaalsContact O-N 3.12Å; R332-T336 PolarHBondContact O-OG1 2.97Å
333	Q	50.3	Low	44.4	Very low	132 Å²	132	120.7 Å²	120.7	62%	0.617	61%	0.609	S	S	*	*	H	α-helix	trans	-61.5	-42.3	171	-140.1	81.2	18.3	0	0	111.7	T331 T336 N337	T331-Q333 PolarHBondContact O-N 3.28Å; T331-Q333 VanDerWaalsContact O-N 3.09Å; T331-Q333 VanDerWaalsContact OG1-CB 3.27Å; T331-Q333 WeakPolarHBondContact OG1-CB 3.28Å; T331-Q333 PolarHBondContact OG1-N 3.46Å; Q333-T336 PolarHBondContact O-N 3.49Å; Q333-N337 WeakPolarHBondContact O-CB 3.23Å; Q333-N337 PolarHBondContact O-N 3.3Å; Q333-N337 PolarHBondContact O-ND2 3.19Å
334	D	51.8	Low	45.5	Very low	70 Å²	70	119.5 Å²	119.5	37%	0.374	60%	0.603	S	S	.	*	H	α-helix	trans	-68.2	-42.1	-175.8	-60.1	-65	0	0	0	111.7	A330 T331 N337 Q338	A330-D334 HydrophobicContact CB-CB 4.38Å; T331-D334 PolarHBondContact N-OD2 3.22Å; T331-D334 WeakPolarHBondContact O-CB 3.48Å; T331-D334 PolarHBondContact O-N 2.85Å; T331-D334 PolarHBondContact OG1-OD2 3.46Å; D334-N337 PolarHBondContact O-N 3.33Å; D334-Q338 WeakPolarHBondContact O-CG 3.38Å; D334-Q338 PolarHBondContact O-N 2.84Å
335	F	43.1	Very low	46.8	Very low	123 Å²	123	113.9 Å²	113.9	54%	0.539	59%	0.585	S	S	.	*	H	α-helix	trans	-63.8	-39.9	171.1	-80.2	-80.5	0	0	0	112.3	N337 Q338 I339	F335-N337 VanDerWaalsContact C-N 3.33Å; F335-N337 PolarHBondContact O-N 3.49Å; F335-Q338 PolarHBondContact O-N 3.35Å; F335-I339 WeakPolarHBondContact O-CG1 3.35Å; F335-I339 PolarHBondContact O-N 3.45Å
336	T	52.7	Low	47.6	Very low	68 Å²	68	111.8 Å²	111.8	42%	0.417	56%	0.562	S	S	.	*	H	α-helix	trans	-64.4	-40.7	176.8	-53	0	0	0	0	110.7	R332 Q333 I339 L340	R332-T336 WeakPolarHBondContact O-CB 3.38Å; R332-T336 PolarHBondContact O-N 2.93Å; R332-T336 VanDerWaalsContact O-N 3.12Å; R332-T336 PolarHBondContact O-OG1 2.97Å; Q333-T336 PolarHBondContact O-N 3.49Å; T336-I339 PolarHBondContact O-N 2.69Å; T336-L340 HydrophobicContact CG2-CD1 4.18Å; T336-L340 WeakPolarHBondContact O-CB 3.34Å; T336-L340 VanDerWaalsContact O-CG 3.28Å; T336-L340 WeakPolarHBondContact O-CG 3.28Å; T336-L340 PolarHBondContact O-N 3.07Å
337	N	60.9	Low	48.3	Very low	73 Å²	73	105.5 Å²	105.5	39%	0.39	54%	0.54	S	S	.	.	H	α-helix	trans	-67.3	-37.3	175.1	-66.7	-21.7	0	0	0	112.1	Q333 D334 F335 L340 N341	Q333-N337 WeakPolarHBondContact O-CB 3.23Å; Q333-N337 PolarHBondContact O-N 3.3Å; Q333-N337 PolarHBondContact O-ND2 3.19Å; D334-N337 PolarHBondContact O-N 3.33Å; F335-N337 VanDerWaalsContact C-N 3.33Å; F335-N337 PolarHBondContact O-N 3.49Å; N337-L340 PolarHBondContact O-N 3.01Å; N337-N341 WeakPolarHBondContact O-CB 3.36Å; N337-N341 PolarHBondContact O-N 2.94Å; N337-N341 PolarHBondContact O-ND2 3.31Å; N337-N341 PolarHBondContact O-OD1 3.23Å
338	Q	56.8	Low	49.2	Very low	121 Å²	121	108 Å²	108	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-63.1	-46.1	173.7	-76.4	174.5	-0.6	0	0	111.8	D334 F335 L340 N341 H342	D334-Q338 WeakPolarHBondContact O-CG 3.38Å; D334-Q338 PolarHBondContact O-N 2.84Å; F335-Q338 PolarHBondContact O-N 3.35Å; Q338-L340 PolarHBondContact O-N 3.34Å; Q338-N341 PolarHBondContact O-N 2.96Å; Q338-H342 WeakPolarHBondContact O-CB 3.42Å; Q338-H342 PolarHBondContact O-N 2.99Å
339	I	51.8	Low	50.1	Low	107 Å²	107	100.8 Å²	100.8	55%	0.549	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-43.1	176.4	-67.1	165.4	0	0	0	110.7	F335 T336 H342 L343	F335-I339 WeakPolarHBondContact O-CG1 3.35Å; F335-I339 PolarHBondContact O-N 3.45Å; T336-I339 PolarHBondContact O-N 2.69Å; I339-H342 PolarHBondContact O-N 3.36Å; I339-L343 HydrophobicContact CG2-CD1 3.97Å; I339-L343 HydrophobicContact CG2-CG 4.49Å; I339-L343 WeakPolarHBondContact O-CG 3.48Å; I339-L343 PolarHBondContact O-N 3.24Å
340	L	57	Low	50.4	Low	96 Å²	96	97.8 Å²	97.8	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-46.7	175.8	-74.5	169.5	0	0	0	112.1	T336 N337 Q338 H342 L343 E344	T336-L340 HydrophobicContact CG2-CD1 4.18Å; T336-L340 WeakPolarHBondContact O-CB 3.34Å; T336-L340 VanDerWaalsContact O-CG 3.28Å; T336-L340 WeakPolarHBondContact O-CG 3.28Å; T336-L340 PolarHBondContact O-N 3.07Å; N337-L340 PolarHBondContact O-N 3.01Å; Q338-L340 PolarHBondContact O-N 3.34Å; L340-H342 VanDerWaalsContact C-N 3.26Å; L340-H342 PolarHBondContact O-N 3.3Å; L340-L343 PolarHBondContact O-N 3.16Å; L340-E344 VanDerWaalsContact O-CB 3.3Å; L340-E344 WeakPolarHBondContact O-CB 3.36Å; L340-E344 PolarHBondContact O-N 3.17Å
341	N	61.5	Low	50.8	Low	100 Å²	100	96.5 Å²	96.5	54%	0.535	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-35.9	176.6	-68.7	-7	0	0	0	112.2	N337 Q338 E344 S345	N337-N341 WeakPolarHBondContact O-CB 3.36Å; N337-N341 PolarHBondContact O-N 2.94Å; N337-N341 PolarHBondContact O-ND2 3.31Å; N337-N341 PolarHBondContact O-OD1 3.23Å; Q338-N341 PolarHBondContact O-N 2.96Å; N341-E344 PolarHBondContact O-N 3.42Å; N341-S345 WeakPolarHBondContact O-CB 3.46Å; N341-S345 PolarHBondContact O-N 2.95Å; N341-S345 PolarHBondContact O-OG 2.92Å
342	H	49	Very low	51	Low	74 Å²	74	96.6 Å²	96.6	34%	0.343	50%	0.5	S	S	.	.	H	α-helix	trans	-75.3	-35.5	178.8	-155.7	86.5	0	0	0	112.1	Q338 I339 L340 S345 V346	Q338-H342 WeakPolarHBondContact O-CB 3.42Å; Q338-H342 PolarHBondContact O-N 2.99Å; I339-H342 PolarHBondContact O-N 3.36Å; L340-H342 VanDerWaalsContact C-N 3.26Å; L340-H342 PolarHBondContact O-N 3.3Å; H342-S345 PolarHBondContact O-OG 2.87Å; H342-S345 VanDerWaalsContact O-OG 3.07Å; H342-V346 WeakPolarHBondContact O-CB 3.44Å; H342-V346 VanDerWaalsContact O-CG2 3.27Å; H342-V346 WeakPolarHBondContact O-CG2 3.29Å; H342-V346 PolarHBondContact O-N 2.94Å; H342-V346 VanDerWaalsContact O-N 3.09Å
343	L	49	Very low	51.2	Low	104 Å²	104	92.5 Å²	92.5	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-37.4	169.8	-71.3	169.2	0	0	0	111.8	I339 L340 S347	I339-L343 HydrophobicContact CG2-CD1 3.97Å; I339-L343 HydrophobicContact CG2-CG 4.49Å; I339-L343 WeakPolarHBondContact O-CG 3.48Å; I339-L343 PolarHBondContact O-N 3.24Å; L340-L343 PolarHBondContact O-N 3.16Å; L343-S347 WeakPolarHBondContact O-CB 3.13Å; L343-S347 PolarHBondContact O-N 3.18Å
344	E	54.7	Low	50.7	Low	131 Å²	131	89.6 Å²	89.6	61%	0.612	48%	0.479	S	S	*	.	H	α-helix	trans	-70.8	-39.7	179.1	-163.6	161.2	-125	0	0	111.2	L340 N341 S347 E348	L340-E344 VanDerWaalsContact O-CB 3.3Å; L340-E344 WeakPolarHBondContact O-CB 3.36Å; L340-E344 PolarHBondContact O-N 3.17Å; N341-E344 PolarHBondContact O-N 3.42Å; E344-S347 CarbonylContact O-C 3.56Å; E344-S347 WeakPolarHBondContact O-CA 3.33Å; E344-S347 WeakPolarHBondContact O-CB 3.43Å; E344-S347 PolarHBondContact O-N 3.41Å; E344-S347 VanDerWaalsContact O-N 3.09Å; E344-S347 PolarHBondContact O-OG 2.95Å; E344-E348 PolarHBondContact O-N 2.83Å
345	S	60	Low	50.1	Low	49 Å²	49	92.8 Å²	92.8	34%	0.343	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-38.8	172.6	71.4	0	0	0	0	112.8	N341 H342 S347 E348 V349	N341-S345 WeakPolarHBondContact O-CB 3.46Å; N341-S345 PolarHBondContact O-N 2.95Å; N341-S345 PolarHBondContact O-OG 2.92Å; H342-S345 PolarHBondContact O-OG 2.87Å; H342-S345 VanDerWaalsContact O-OG 3.07Å; S345-S347 PolarHBondContact O-N 3.34Å; S345-E348 PolarHBondContact O-N 2.86Å; S345-V349 WeakPolarHBondContact O-CG2 3.48Å; S345-V349 PolarHBondContact O-N 2.82Å
346	V	47.2	Very low	49.8	Very low	53 Å²	53	90.1 Å²	90.1	32%	0.321	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-35.5	169.3	168.9	0	0	0	0	110.8	H342 V349 L350	H342-V346 WeakPolarHBondContact O-CB 3.44Å; H342-V346 VanDerWaalsContact O-CG2 3.27Å; H342-V346 WeakPolarHBondContact O-CG2 3.29Å; H342-V346 PolarHBondContact O-N 2.94Å; H342-V346 VanDerWaalsContact O-N 3.09Å; V346-V349 PolarHBondContact O-N 3.15Å; V346-L350 HydrophobicContact CG1-CD1 4.05Å; V346-L350 WeakPolarHBondContact O-CB 3.47Å; V346-L350 VanDerWaalsContact O-CG 3.29Å; V346-L350 WeakPolarHBondContact O-CG 3.48Å; V346-L350 PolarHBondContact O-N 2.61Å
347	S	48.3	Very low	48.9	Very low	61 Å²	61	93.5 Å²	93.5	43%	0.427	52%	0.519	S	S	.	.	H	α-helix	trans	-69.1	-39.1	175	89	0	0	0	0	113.1	L343 E344 S345 L350 A351	L343-S347 WeakPolarHBondContact O-CB 3.13Å; L343-S347 PolarHBondContact O-N 3.18Å; E344-S347 CarbonylContact O-C 3.56Å; E344-S347 WeakPolarHBondContact O-CA 3.33Å; E344-S347 WeakPolarHBondContact O-CB 3.43Å; E344-S347 PolarHBondContact O-N 3.41Å; E344-S347 VanDerWaalsContact O-N 3.09Å; E344-S347 PolarHBondContact O-OG 2.95Å; S345-S347 PolarHBondContact O-N 3.34Å; S347-L350 PolarHBondContact O-N 2.83Å; S347-A351 WeakPolarHBondContact O-CB 3.46Å; S347-A351 PolarHBondContact O-N 3.06Å
348	E	53	Low	47.3	Very low	144 Å²	144	92.8 Å²	92.8	67%	0.673	53%	0.528	S	S	*	.	H	α-helix	trans	-65.1	-41.3	173	-75.1	-160.1	131.6	0	0	111.6	E344 S345 L350 A351 S352	E344-E348 PolarHBondContact O-N 2.83Å; S345-E348 PolarHBondContact O-N 2.86Å; E348-L350 PolarHBondContact O-N 3.42Å; E348-A351 PolarHBondContact O-N 3.06Å; E348-S352 WeakPolarHBondContact O-CB 3.14Å; E348-S352 PolarHBondContact O-N 3.01Å
349	V	51.5	Low	46.2	Very low	67 Å²	67	97.5 Å²	97.5	41%	0.406	55%	0.547	S	S	.	.	H	α-helix	trans	-59	-48.3	173.8	169.5	0	0	0	0	110.1	S345 V346 S352 Y353	S345-V349 WeakPolarHBondContact O-CG2 3.48Å; S345-V349 PolarHBondContact O-N 2.82Å; V346-V349 PolarHBondContact O-N 3.15Å; V349-S352 PolarHBondContact O-N 2.85Å; V349-S352 PolarHBondContact O-OG 3.12Å; V349-Y353 HydrophobicContact CG1-CD2 4.37Å; V349-Y353 HydrophobicContact CG1-CE2 3.87Å; V349-Y353 WeakPolarHBondContact O-CD2 3.47Å; V349-Y353 PolarHBondContact O-N 3.08Å
350	L	40.7	Very low	45.4	Very low	113 Å²	113	98.2 Å²	98.2	59%	0.592	56%	0.562	S	S	*	*	H	α-helix	trans	-63.9	-39.8	177.2	-71.4	168.8	0	0	0	113	V346 S347 E348 S352 Y353 S354	V346-L350 HydrophobicContact CG1-CD1 4.05Å; V346-L350 WeakPolarHBondContact O-CB 3.47Å; V346-L350 VanDerWaalsContact O-CG 3.29Å; V346-L350 WeakPolarHBondContact O-CG 3.48Å; V346-L350 PolarHBondContact O-N 2.61Å; S347-L350 PolarHBondContact O-N 2.83Å; E348-L350 PolarHBondContact O-N 3.42Å; L350-S352 VanDerWaalsContact C-N 3.35Å; L350-Y353 PolarHBondContact O-N 3.16Å; L350-S354 PolarHBondContact O-N 3.07Å
351	A	45.9	Very low	44.4	Very low	44 Å²	44	103.1 Å²	103.1	36%	0.364	58%	0.582	S	S	.	*	H	α-helix	trans	-67.1	-33.7	175.8	0	0	0	0	0	112.6	S347 E348 Y353 S354 D355	S347-A351 WeakPolarHBondContact O-CB 3.46Å; S347-A351 PolarHBondContact O-N 3.06Å; E348-A351 PolarHBondContact O-N 3.06Å; A351-Y353 PolarHBondContact O-N 3.39Å; A351-S354 PolarHBondContact O-N 3.46Å; A351-S354 PolarHBondContact O-OG 2.87Å; A351-D355 PolarHBondContact O-N 3.2Å; A351-D355 VanDerWaalsContact O-N 3.07Å
352	S	48.1	Very low	42.9	Very low	79 Å²	79	107.4 Å²	107.4	55%	0.552	60%	0.596	S	S	*	*	H	α-helix	trans	-62.8	-25.9	174.6	81.6	0	0	0	0	112.8	E348 V349 L350	E348-S352 WeakPolarHBondContact O-CB 3.14Å; E348-S352 PolarHBondContact O-N 3.01Å; V349-S352 PolarHBondContact O-N 2.85Å; V349-S352 PolarHBondContact O-OG 3.12Å; L350-S352 VanDerWaalsContact C-N 3.35Å
353	Y	42	Very low	42.3	Very low	134 Å²	134	113.8 Å²	113.8	53%	0.525	62%	0.623	S	S	.	*	H	α-helix	trans	-82.3	-17.9	172.8	-70.7	-68	0	0	0	114	V349 L350 A351 Q417	V349-Y353 HydrophobicContact CG1-CD2 4.37Å; V349-Y353 HydrophobicContact CG1-CE2 3.87Å; V349-Y353 WeakPolarHBondContact O-CD2 3.47Å; V349-Y353 PolarHBondContact O-N 3.08Å; L350-Y353 PolarHBondContact O-N 3.16Å; A351-Y353 PolarHBondContact O-N 3.39Å; Y353-Q417 PolarHBondContact OH-NE2 2.89Å
354	S	39.7	Very low	41.4	Very low	70 Å²	70	115 Å²	115	49%	0.49	63%	0.63	S	S	.	*	H	α-helix	trans	-89.3	-42.1	175.7	62.3	0	0	0	0	113.3	L350 A351 G356	L350-S354 PolarHBondContact O-N 3.07Å; A351-S354 PolarHBondContact O-N 3.46Å; A351-S354 PolarHBondContact O-OG 2.87Å; S354-G356 VanDerWaalsContact C-N 3.35Å; S354-G356 PolarHBondContact O-N 3.1Å
355	D	39	Very low	40.6	Very low	137 Å²	137	116.1 Å²	116.1	73%	0.733	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-6.5	-166.6	-77.7	20.5	0	0	0	114.1	A351 L357	A351-D355 PolarHBondContact O-N 3.2Å; A351-D355 VanDerWaalsContact O-N 3.07Å; D355-L357 PolarHBondContact O-N 3.18Å
356	G	38.1	Very low	39.3	Very low	67 Å²	67	119.9 Å²	119.9	69%	0.691	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-4.4	174.4	0	0	0	0	0	115.6	S354	S354-G356 VanDerWaalsContact C-N 3.35Å; S354-G356 PolarHBondContact O-N 3.1Å
357	L	32.8	Very low	38.9	Very low	140 Å²	140	126.8 Å²	126.8	73%	0.733	69%	0.692	S	S	*	*	S	Bend	trans	-112.1	55	-172.3	-70.2	174.6	0	0	0	113.8	D355 I379	D355-L357 PolarHBondContact O-N 3.18Å; L357-I379 HydrophobicContact CD1-CD1 3.75Å
358	G	28.2	Very low	38.2	Very low	58 Å²	58	128.9 Å²	128.9	60%	0.598	71%	0.707	S	S	*	*			trans	-163.7	128.9	172.2	0	0	0	0	0	116.8
359	K	32.2	Very low	37.3	Very low	220 Å²	220	127.6 Å²	127.6	96%	0.957	70%	0.701	S	S	*	*			trans	81.6	89.9	165.4	-49.9	158	-172.6	161.6	0	117.6
360	S	36	Very low	36.5	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	73%	0.726	S	S	*	*			trans	-147.5	144.2	140	61.1	0	0	0	0	109.9
361	E	35.6	Very low	36.3	Very low	199 Å²	199	133.4 Å²	133.4	93%	0.93	73%	0.732	S	S	*	*			trans	-88.2	155.1	-168.7	-65	179.9	116.9	0	0	113.8
362	F	30.2	Very low	35.8	Very low	190 Å²	190	135.5 Å²	135.5	83%	0.833	74%	0.744	S	S	*	*			trans	-68.2	139.4	-178.3	-96.3	-101.7	0	0	0	114.2	N364	F362-N364 WeakPolarHBondContact CD1-OD1 3.35Å
363	K	35.9	Very low	35	Very low	207 Å²	207	141 Å²	141	90%	0.9	75%	0.753	S	S	*	*			trans	-146.6	143.1	140.1	-117.9	170.4	-175.1	172.6	0	110.5
364	N	31.4	Very low	34.8	Very low	129 Å²	129	141 Å²	141	69%	0.69	76%	0.761	S	S	*	*			trans	-97.7	140.7	-163.5	-48.9	-48.5	0	0	0	112.3	F362	F362-N364 WeakPolarHBondContact CD1-OD1 3.35Å
365	D	37.3	Very low	34.3	Very low	156 Å²	156	146 Å²	146	83%	0.834	77%	0.774	S	S	*	*			trans	-153.6	119.1	146.9	-101.8	-37.1	0	0	0	109.7	E367	D365-E367 PolarHBondContact O-N 3.32Å
366	P	32.7	Very low	33.9	Very low	128 Å²	128	143.8 Å²	143.8	83%	0.831	77%	0.774	S	S	*	*			trans	-104.3	60.6	-162.1	40.5	-37.6	0	0	0	115
367	E	38.4	Very low	33.6	Very low	198 Å²	198	145.3 Å²	145.3	93%	0.925	77%	0.772	S	S	*	*	S	Bend	trans	-140.5	3.8	-179.7	-133.1	170.1	-136	0	0	117.5	D365	D365-E367 PolarHBondContact O-N 3.32Å
368	S	34.5	Very low	33.5	Very low	105 Å²	105	143 Å²	143	73%	0.734	77%	0.774	S	S	*	*			trans	-112.7	-2.1	-177.7	62	0	0	0	0	115.9	K370	S368-K370 VanDerWaalsContact C-N 3.34Å; S368-K370 PolarHBondContact O-N 3.15Å
369	E	32.3	Very low	33.8	Very low	117 Å²	117	145.3 Å²	145.3	55%	0.547	77%	0.771	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	59.5	-160.8	-152	-165.2	-175.9	0	0	115.7	R373	E369-R373 IonicContact OE1-CZ 2.82Å; E369-R373 IonicContact OE1-NE 2.79Å; E369-R373 PolarHBondContact OE1-NE 3.41Å; E369-R373 IonicContact OE1-NH2 2.72Å; E369-R373 PolarHBondContact OE1-NH2 2.81Å; E369-R373 IonicContact OE2-CZ 3.85Å; E369-R373 IonicContact OE2-NH2 3.2Å; E369-R373 PolarHBondContact OE2-NH2 3.04Å
370	K	36.7	Very low	33.7	Very low	213 Å²	213	141 Å²	141	93%	0.926	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.2	2.6	173.6	-83.7	-172.1	175.8	176.3	0	116.5	S368	S368-K370 VanDerWaalsContact C-N 3.34Å; S368-K370 PolarHBondContact O-N 3.15Å
371	A	36.5	Very low	33.3	Very low	89 Å²	89	139.3 Å²	139.3	74%	0.736	74%	0.744	S	S	*	*	S	Bend	trans	-119.7	-5.4	-174.5	0	0	0	0	0	115.6
372	S	33.8	Very low	32.9	Very low	88 Å²	88	135.9 Å²	135.9	62%	0.615	74%	0.742	S	S	*	*	S	Bend	trans	-118.4	-6.2	-160.6	45.9	0	0	0	0	116.6	I374	S372-I374 PolarHBondContact O-N 3.11Å
373	R	32.1	Very low	32.9	Very low	195 Å²	195	129.4 Å²	129.4	74%	0.736	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	29.2	-174.7	-64.2	-169.7	179.9	-172.8	4.3	115.2	E369	E369-R373 IonicContact OE1-CZ 2.82Å; E369-R373 IonicContact OE1-NE 2.79Å; E369-R373 PolarHBondContact OE1-NE 3.41Å; E369-R373 IonicContact OE1-NH2 2.72Å; E369-R373 PolarHBondContact OE1-NH2 2.81Å; E369-R373 IonicContact OE2-CZ 3.85Å; E369-R373 IonicContact OE2-NH2 3.2Å; E369-R373 PolarHBondContact OE2-NH2 3.04Å
374	I	38.1	Very low	32.7	Very low	133 Å²	133	125.7 Å²	125.7	68%	0.682	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-22.1	-174.2	-60.9	-179.7	0	0	0	113.1	S372	S372-I374 PolarHBondContact O-N 3.11Å
375	F	29.6	Very low	32.6	Very low	176 Å²	176	127.5 Å²	127.5	77%	0.772	71%	0.714	S	S	*	*			trans	-131.1	102.4	-179.2	-70.7	-74.4	0	0	0	112.9
376	A	29.7	Very low	32.2	Very low	89 Å²	89	122.2 Å²	122.2	74%	0.736	69%	0.69	S	S	*	*			trans	-133.1	141.3	152.1	0	0	0	0	0	107.1
377	P	32	Very low	32.1	Very low	99 Å²	99	121.3 Å²	121.3	64%	0.643	67%	0.67	S	S	*	*			trans	-63.6	143.4	174	28	-33.8	0	0	0	109.9	I379	P377-I379 PolarHBondContact O-N 3.41Å
378	A	31.6	Very low	31.6	Very low	93 Å²	93	118.7 Å²	118.7	77%	0.769	66%	0.659	S	S	*	*			trans	-77.9	63.6	-168.6	0	0	0	0	0	113.8	L380	A378-L380 PolarHBondContact O-N 3.18Å
379	I	33.1	Very low	31.1	Very low	106 Å²	106	117.7 Å²	117.7	54%	0.544	66%	0.657	S	S	.	*			trans	-72.8	97.4	174.6	-58.7	175.9	0	0	0	109.3	L357 P377	L357-I379 HydrophobicContact CD1-CD1 3.75Å; P377-I379 PolarHBondContact O-N 3.41Å
380	L	30.9	Very low	31.5	Very low	128 Å²	128	118.6 Å²	118.6	67%	0.67	67%	0.666	S	S	*	*			trans	52.9	104.7	155.5	-59.3	172.9	0	0	0	119.1	A378	A378-L380 PolarHBondContact O-N 3.18Å
381	P	28.1	Very low	32.3	Very low	87 Å²	87	111.6 Å²	111.6	57%	0.565	64%	0.638	S	S	*	*			trans	-94.7	134.4	132.6	-7.3	26.1	0	0	0	109.9	S383	P381-S383 PolarHBondContact O-N 3.13Å; P381-S383 VanDerWaalsContact O-N 3.12Å
382	S	26.4	Very low	33.5	Very low	127 Å²	127	111 Å²	111	89%	0.888	62%	0.62	S	S	*	*	S	Bend	trans	-87.6	68.7	-173.1	60.1	0	0	0	0	113.9
383	S	29.7	Very low	35.1	Very low	54 Å²	54	110.3 Å²	110.3	38%	0.378	61%	0.61	S	S	.	*			trans	-159.6	128.5	157.9	63.5	0	0	0	0	112	P381 E385 S386	P381-S383 PolarHBondContact O-N 3.13Å; P381-S383 VanDerWaalsContact O-N 3.12Å; S383-E385 VanDerWaalsContact C-N 3.31Å; S383-E385 PolarHBondContact O-N 3.47Å; S383-S386 PolarHBondContact O-N 3.49Å; S383-S386 PolarHBondContact O-OG 3.25Å; S383-S386 WeakPolarHBondContact OG-CB 3.36Å; S383-S386 PolarHBondContact OG-OG 3.46Å
384	N	31.7	Very low	37.1	Very low	129 Å²	129	102.2 Å²	102.2	69%	0.69	59%	0.587	S	S	*	*	H	α-helix	trans	-65	-34	-177.9	-75	-2.7	0	0	0	112.7	S386 R387 M388	N384-S386 VanDerWaalsContact C-N 3.28Å; N384-S386 PolarHBondContact O-N 3.1Å; N384-R387 PolarHBondContact O-N 3.25Å; N384-R387 VanDerWaalsContact O-N 3.15Å; N384-M388 PolarHBondContact O-N 3.24Å
385	E	29.7	Very low	39.3	Very low	167 Å²	167	97.9 Å²	97.9	78%	0.78	56%	0.564	S	S	*	*	H	α-helix	trans	-58.9	-37.1	178.3	-58.8	177.8	140.6	0	0	112.5	S383 R387	S383-E385 VanDerWaalsContact C-N 3.31Å; S383-E385 PolarHBondContact O-N 3.47Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-R387 PolarHBondContact O-N 3.07Å
386	S	28.5	Very low	41.9	Very low	45 Å²	45	91 Å²	91	32%	0.315	54%	0.536	S	S	.	.	H	α-helix	trans	-74.2	-22.9	-179.6	71	0	0	0	0	113.7	S383 N384 N390	S383-S386 PolarHBondContact O-N 3.49Å; S383-S386 PolarHBondContact O-OG 3.25Å; S383-S386 WeakPolarHBondContact OG-CB 3.36Å; S383-S386 PolarHBondContact OG-OG 3.46Å; N384-S386 VanDerWaalsContact C-N 3.28Å; N384-S386 PolarHBondContact O-N 3.1Å; S386-N390 PolarHBondContact O-ND2 3.39Å
387	R	31	Very low	44.5	Very low	110 Å²	110	91.3 Å²	91.3	42%	0.415	52%	0.524	S	S	.	.	H	α-helix	trans	-73.3	-45.8	174.4	-75.4	178.5	153.9	-174.4	-10.3	111.5	N384 E385 A389 N390	N384-R387 PolarHBondContact O-N 3.25Å; N384-R387 VanDerWaalsContact O-N 3.15Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-R387 PolarHBondContact O-N 3.07Å; R387-A389 VanDerWaalsContact C-N 3.27Å; R387-A389 PolarHBondContact O-N 3.22Å; R387-N390 PolarHBondContact O-N 3.44Å
388	M	27.9	Very low	47.1	Very low	142 Å²	142	87.6 Å²	87.6	70%	0.7	50%	0.499	S	S	*	.	H	α-helix	trans	-62.6	-33.1	-178	-63.8	-177.6	74.8	0	0	113	N384 N390	N384-M388 PolarHBondContact O-N 3.24Å; M388-N390 PolarHBondContact O-N 2.95Å
389	A	24.9	Very low	49.6	Very low	84 Å²	84	90.5 Å²	90.5	69%	0.694	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-6.9	-178.4	0	0	0	0	0	115.4	R387	R387-A389 VanDerWaalsContact C-N 3.27Å; R387-A389 PolarHBondContact O-N 3.22Å
390	N	38.9	Very low	52.1	Low	137 Å²	137	90.5 Å²	90.5	73%	0.733	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	6.7	-176.5	-69.4	-77.1	0	0	0	113.9	S386 R387 M388	S386-N390 PolarHBondContact O-ND2 3.39Å; R387-N390 PolarHBondContact O-N 3.44Å; M388-N390 PolarHBondContact O-N 2.95Å
391	L	55	Low	54.8	Low	65 Å²	65	86.6 Å²	86.6	34%	0.34	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-72.7	147.1	176.8	-70.6	169.5	0	0	0	111.7	E395 I397	L391-E395 HydrophobicContact CB-CB 4.46Å; L391-E395 HydrophobicContact CD2-CB 4.26Å; L391-E395 HydrophobicContact CD2-CG 3.93Å; L391-I397 HydrophobicContact CD1-CD1 3.95Å; L391-I397 HydrophobicContact CD1-CG1 4.04Å; L391-I397 HydrophobicContact CD2-CD1 3.95Å; L391-I397 HydrophobicContact CD2-CG1 3.66Å; L391-I397 HydrophobicContact CG-CD1 4.34Å; L391-I397 HydrophobicContact CG-CG1 4.43Å
392	E	61.1	Low	57.6	Low	78 Å²	78	83.6 Å²	83.6	36%	0.364	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-74	156.8	169.1	-61.9	-175.9	120.4	0	0	110.6	G394 E395 K420 A506	E392-G394 PolarHBondContact O-N 3.29Å; E392-E395 HydrophobicContact CB-CB 4.4Å; E392-E395 PolarHBondContact N-OE2 2.89Å; E392-E395 VanDerWaalsContact N-OE2 3.14Å; E392-E395 WeakPolarHBondContact O-CB 3.34Å; E392-E395 PolarHBondContact O-N 2.87Å; E392-K420 IonicContact OE2-NZ 3.72Å; E392-K420 PolarHBondContact OE2-NZ 2.96Å; E392-A506 HydrophobicContact CB-CB 3.78Å; E392-A506 HydrophobicContact CG-CB 4.4Å
393	D	67.3	Low	60.6	Low	73 Å²	73	79.5 Å²	79.5	39%	0.39	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	123.6	179	-174.5	28.9	0	0	0	110.3	E395 S500 Q502 L503	D393-E395 VanDerWaalsContact C-N 3.32Å; D393-E395 PolarHBondContact O-N 2.99Å; D393-S500 PolarHBondContact OD2-OG 3.15Å; D393-Q502 HydrophobicContact CB-CB 4.13Å; D393-L503 WeakPolarHBondContact O-CD1 3.43Å; D393-L503 PolarHBondContact OD2-N 3.37Å
394	G	73.7	Confident	63.4	Low	25 Å²	25	79.9 Å²	79.9	26%	0.258	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	8.9	-177.6	0	0	0	0	0	117.6	E392 F422 R423	E392-G394 PolarHBondContact O-N 3.29Å; G394-F422 WeakPolarHBondContact O-CA 3.48Å; G394-R423 PolarHBondContact O-N 2.87Å
395	E	85.1	Confident	66	Low	41 Å²	41	77.1 Å²	77.1	19%	0.192	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.1	175.3	-175.6	171.3	-166.7	0	0	112.4	L391 E392 D393 K420 F422	L391-E395 HydrophobicContact CB-CB 4.46Å; L391-E395 HydrophobicContact CD2-CB 4.26Å; L391-E395 HydrophobicContact CD2-CG 3.93Å; E392-E395 HydrophobicContact CB-CB 4.4Å; E392-E395 PolarHBondContact N-OE2 2.89Å; E392-E395 VanDerWaalsContact N-OE2 3.14Å; E392-E395 WeakPolarHBondContact O-CB 3.34Å; E392-E395 PolarHBondContact O-N 2.87Å; D393-E395 VanDerWaalsContact C-N 3.32Å; D393-E395 PolarHBondContact O-N 2.99Å; E395-K420 WeakPolarHBondContact OE1-CD 3.45Å; E395-K420 WeakPolarHBondContact OE1-CE 3.43Å; E395-K420 IonicContact OE1-NZ 3.09Å; E395-K420 PolarHBondContact OE1-NZ 2.89Å; E395-K420 IonicContact OE2-NZ 2.74Å; E395-K420 PolarHBondContact OE2-NZ 2.93Å; E395-F422 HydrophobicContact CB-CD1 4.2Å; E395-F422 HydrophobicContact CB-CE1 4.08Å; E395-F422 HydrophobicContact CG-CE1 4.46Å
396	V	84.1	Confident	69	Low	31 Å²	31	69.2 Å²	69.2	19%	0.188	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.8	179.6	179	0	0	0	0	109.7	L398 M421 R423	V396-L398 HydrophobicContact CG1-CD2 4.01Å; V396-M421 HydrophobicContact CB-CB 4.18Å; V396-M421 HydrophobicContact CB-CG 4.08Å; V396-M421 HydrophobicContact CB-SD 4.03Å; V396-M421 HydrophobicContact CG1-SD 3.9Å; V396-M421 PolarHBondContact N-O 2.89Å; V396-R423 HydrophobicContact CG2-CB 3.85Å
397	I	84.3	Confident	71.9	Confident	97 Å²	97	69 Å²	69	50%	0.497	39%	0.392	S	S	.	.			trans	-73.9	133.1	165.6	-58.5	179.5	0	0	0	107.9	L391	L391-I397 HydrophobicContact CD1-CD1 3.95Å; L391-I397 HydrophobicContact CD1-CG1 4.04Å; L391-I397 HydrophobicContact CD2-CD1 3.95Å; L391-I397 HydrophobicContact CD2-CG1 3.66Å; L391-I397 HydrophobicContact CG-CD1 4.34Å; L391-I397 HydrophobicContact CG-CG1 4.43Å
398	L	85.6	Confident	74.6	Confident	21 Å²	21	68 Å²	68	11%	0.11	40%	0.397	C	S	.	.			trans	-109.3	146.3	170.3	-64.1	179.5	0	0	0	110.7	V396 E402 V403 L406 F418 M421	V396-L398 HydrophobicContact CG1-CD2 4.01Å; L398-E402 VanDerWaalsContact CA-OE2 3.26Å; L398-E402 WeakPolarHBondContact CA-OE2 3.33Å; L398-E402 HydrophobicContact CB-CB 4.13Å; L398-E402 HydrophobicContact CD2-CB 4.11Å; L398-V403 HydrophobicContact CB-CG2 3.83Å; L398-V403 HydrophobicContact CD1-CG2 4.26Å; L398-L406 HydrophobicContact CD1-CD1 3.43Å; L398-L406 VanDerWaalsContact CD1-CD1 3.43Å; L398-F418 HydrophobicContact CD1-CD2 4.44Å; L398-F418 HydrophobicContact CD1-CE2 3.67Å; L398-F418 HydrophobicContact CD1-CZ 3.73Å; L398-F418 HydrophobicContact CG-CZ 4.29Å; L398-M421 HydrophobicContact CD1-CB 4.34Å; L398-M421 HydrophobicContact CD1-CE 4Å; L398-M421 HydrophobicContact CD1-SD 4.17Å; L398-M421 HydrophobicContact CD2-CE 4.35Å; L398-M421 HydrophobicContact CD2-SD 3.88Å; L398-M421 HydrophobicContact CG-SD 4.29Å
399	E	84.8	Confident	77.4	Confident	154 Å²	154	66.5 Å²	66.5	72%	0.72	39%	0.389	S	S	*	.			trans	-75.6	158.1	166.1	-61.4	-161.6	165.3	0	0	111.2	G401 E402 V403	E399-G401 PolarHBondContact O-N 2.7Å; E399-G401 VanDerWaalsContact O-N 3.11Å; E399-E402 PolarHBondContact N-OE2 3.22Å; E399-E402 PolarHBondContact O-N 3.17Å; E399-V403 PolarHBondContact O-N 2.89Å; E399-V403 VanDerWaalsContact O-N 3.15Å
400	S	85.9	Confident	80.5	Confident	106 Å²	106	62.5 Å²	62.5	74%	0.741	36%	0.356	S	S	*	.	H	α-helix	trans	-57.4	-30.8	-177.4	-52.3	0	0	0	0	113.5	V404	S400-V404 WeakPolarHBondContact O-CG2 3.44Å; S400-V404 PolarHBondContact O-N 2.86Å
401	G	86.3	Confident	83	Confident	46 Å²	46	57.1 Å²	57.1	47%	0.474	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-45.9	174.7	0	0	0	0	0	112.7	E399 V403 V404 E405	E399-G401 PolarHBondContact O-N 2.7Å; E399-G401 VanDerWaalsContact O-N 3.11Å; G401-V403 VanDerWaalsContact C-N 3.26Å; G401-V403 PolarHBondContact O-N 2.95Å; G401-V404 PolarHBondContact O-N 3.37Å; G401-V404 VanDerWaalsContact O-N 3.1Å; G401-E405 PolarHBondContact O-N 3.02Å
402	E	87.6	Confident	84.6	Confident	24 Å²	24	57.4 Å²	57.4	11%	0.112	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-33	177.4	-61.1	174.6	111	0	0	112.1	L398 E399 E405 L406 R450 L458 F460	L398-E402 VanDerWaalsContact CA-OE2 3.26Å; L398-E402 WeakPolarHBondContact CA-OE2 3.33Å; L398-E402 HydrophobicContact CB-CB 4.13Å; L398-E402 HydrophobicContact CD2-CB 4.11Å; E399-E402 PolarHBondContact N-OE2 3.22Å; E399-E402 PolarHBondContact O-N 3.17Å; E402-E405 PolarHBondContact O-N 2.74Å; E402-L406 WeakPolarHBondContact O-CG 3.27Å; E402-L406 PolarHBondContact O-N 3.24Å; E402-R450 IonicContact OE1-CZ 3.57Å; E402-R450 IonicContact OE1-NH1 2.83Å; E402-R450 PolarHBondContact OE1-NH1 3.41Å; E402-R450 IonicContact OE1-NH2 3.02Å; E402-R450 PolarHBondContact OE1-NH2 3.08Å; E402-L458 HydrophobicContact CG-CD1 4.07Å; E402-L458 WeakPolarHBondContact OE1-CD1 2.93Å; E402-F460 HydrophobicContact CB-CE2 4.27Å; E402-F460 HydrophobicContact CB-CZ 4.27Å
403	V	88.8	Confident	85.7	Confident	40 Å²	40	58.1 Å²	58.1	24%	0.242	33%	0.334	C	S	.	.	H	α-helix	trans	-69.3	-36.3	174.5	177.5	0	0	0	0	111.7	L398 E399 G401 A407 F418	L398-V403 HydrophobicContact CB-CG2 3.83Å; L398-V403 HydrophobicContact CD1-CG2 4.26Å; E399-V403 PolarHBondContact O-N 2.89Å; E399-V403 VanDerWaalsContact O-N 3.15Å; G401-V403 VanDerWaalsContact C-N 3.26Å; G401-V403 PolarHBondContact O-N 2.95Å; V403-A407 PolarHBondContact O-N 2.89Å; V403-F418 HydrophobicContact CG1-CB 3.75Å; V403-F418 HydrophobicContact CG1-CG 4.19Å; V403-F418 HydrophobicContact CG2-CD1 4.14Å; V403-F418 HydrophobicContact CG2-CE1 4.45Å; V403-F418 HydrophobicContact CG2-CG 4.33Å
404	V	88.3	Confident	86.1	Confident	62 Å²	62	63.2 Å²	63.2	38%	0.376	36%	0.355	S	S	.	.	H	α-helix	trans	-68.2	-41.5	172.7	171.4	0	0	0	0	110.9	S400 G401 L406 A407 V408	S400-V404 WeakPolarHBondContact O-CG2 3.44Å; S400-V404 PolarHBondContact O-N 2.86Å; G401-V404 PolarHBondContact O-N 3.37Å; G401-V404 VanDerWaalsContact O-N 3.1Å; V404-L406 VanDerWaalsContact C-N 3.32Å; V404-L406 PolarHBondContact O-N 2.99Å; V404-A407 WeakPolarHBondContact O-CB 3.44Å; V404-A407 PolarHBondContact O-N 2.94Å; V404-V408 HydrophobicContact CG1-CG2 4.25Å; V404-V408 WeakPolarHBondContact O-CG2 3.37Å; V404-V408 PolarHBondContact O-N 2.91Å
405	E	88.1	Confident	86.5	Confident	72 Å²	72	65.5 Å²	65.5	34%	0.336	37%	0.372	S	S	.	.	H	α-helix	trans	-59.3	-40.9	175.1	-73.9	-60.2	150.4	0	0	112.5	G401 E402 H409 F460	G401-E405 PolarHBondContact O-N 3.02Å; E402-E405 PolarHBondContact O-N 2.74Å; E405-H409 WeakPolarHBondContact O-CB 3.42Å; E405-H409 PolarHBondContact O-N 3.11Å; E405-H409 PolarHBondContact O-ND1 3.16Å; E405-H409 IonicContact OE2-CE1 2.96Å; E405-H409 PolarHBondContact OE2-CE1 2.53Å; E405-H409 IonicContact OE2-ND1 3.42Å; E405-H409 PolarHBondContact OE2-ND1 2.94Å; E405-F460 HydrophobicContact CB-CD2 3.97Å; E405-F460 HydrophobicContact CB-CE2 4.02Å
406	L	91.2	Very high	86.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-40.3	171.5	-72.3	172.5	0	0	0	112.5	L398 E402 V404 V410 F411 F418 M421 V439 V448 F460	L398-L406 HydrophobicContact CD1-CD1 3.43Å; L398-L406 VanDerWaalsContact CD1-CD1 3.43Å; E402-L406 WeakPolarHBondContact O-CG 3.27Å; E402-L406 PolarHBondContact O-N 3.24Å; V404-L406 VanDerWaalsContact C-N 3.32Å; V404-L406 PolarHBondContact O-N 2.99Å; L406-V410 HydrophobicContact CD2-CB 4.27Å; L406-V410 HydrophobicContact CD2-CG2 3.86Å; L406-V410 WeakPolarHBondContact O-CA 3.39Å; L406-V410 WeakPolarHBondContact O-CB 3.35Å; L406-V410 PolarHBondContact O-N 2.98Å; L406-F411 HydrophobicContact CB-CE1 3.96Å; L406-F411 HydrophobicContact CB-CZ 4.04Å; L406-F411 PolarHBondContact O-N 3Å; L406-F411 VanDerWaalsContact O-N 3.08Å; L406-F418 HydrophobicContact CD1-CD2 4.25Å; L406-F418 HydrophobicContact CD1-CE2 4.28Å; L406-M421 HydrophobicContact CD1-CE 4.06Å; L406-V439 HydrophobicContact CD1-CG1 4.38Å; L406-V439 HydrophobicContact CD1-CG2 4.16Å; L406-V439 HydrophobicContact CD2-CG2 4.29Å; L406-V448 HydrophobicContact CD2-CG1 4.3Å; L406-V448 HydrophobicContact CD2-CG2 4.35Å; L406-F460 HydrophobicContact CD2-CB 3.84Å; L406-F460 HydrophobicContact CD2-CD1 3.82Å; L406-F460 HydrophobicContact CD2-CD2 3.7Å; L406-F460 HydrophobicContact CD2-CE1 4.26Å; L406-F460 HydrophobicContact CD2-CE2 4.16Å; L406-F460 HydrophobicContact CD2-CG 3.5Å; L406-F460 HydrophobicContact CD2-CZ 4.42Å; L406-F460 HydrophobicContact CG-CD2 3.88Å; L406-F460 HydrophobicContact CG-CE2 3.97Å; L406-F460 HydrophobicContact CG-CG 4.21Å; L406-F460 HydrophobicContact CG-CZ 4.37Å
407	A	89.6	Confident	87	Confident	41 Å²	41	67.1 Å²	67.1	34%	0.339	38%	0.377	S	S	.	.	H	α-helix	trans	-66.3	-37.1	179.1	0	0	0	0	0	112.9	V403 V404 F411	V403-A407 PolarHBondContact O-N 2.89Å; V404-A407 WeakPolarHBondContact O-CB 3.44Å; V404-A407 PolarHBondContact O-N 2.94Å; A407-F411 HydrophobicContact CB-CD2 3.89Å; A407-F411 HydrophobicContact CB-CE2 4.12Å
408	V	87.6	Confident	87.4	Confident	89 Å²	89	65.3 Å²	65.3	54%	0.539	37%	0.365	S	S	.	.	H	α-helix	trans	-78.2	-40.2	179.1	175.1	0	0	0	0	112.2	V404	V404-V408 HydrophobicContact CG1-CG2 4.25Å; V404-V408 WeakPolarHBondContact O-CG2 3.37Å; V404-V408 PolarHBondContact O-N 2.91Å
409	H	87.5	Confident	87.7	Confident	111 Å²	111	67.6 Å²	67.6	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-106.4	-17.2	-168	-63.9	113.7	0	0	0	115.6	E405	E405-H409 WeakPolarHBondContact O-CB 3.42Å; E405-H409 PolarHBondContact O-N 3.11Å; E405-H409 PolarHBondContact O-ND1 3.16Å; E405-H409 IonicContact OE2-CE1 2.96Å; E405-H409 PolarHBondContact OE2-CE1 2.53Å; E405-H409 IonicContact OE2-ND1 3.42Å; E405-H409 PolarHBondContact OE2-ND1 2.94Å
410	V	89.4	Confident	88.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-43.7	-171.6	178.5	0	0	0	0	113.3	L406 Y446 V448 F460 R462	L406-V410 HydrophobicContact CD2-CB 4.27Å; L406-V410 HydrophobicContact CD2-CG2 3.86Å; L406-V410 WeakPolarHBondContact O-CA 3.39Å; L406-V410 WeakPolarHBondContact O-CB 3.35Å; L406-V410 PolarHBondContact O-N 2.98Å; V410-Y446 HydrophobicContact CG1-CD1 3.94Å; V410-Y446 HydrophobicContact CG1-CD2 4.09Å; V410-Y446 HydrophobicContact CG1-CG 3.7Å; V410-V448 HydrophobicContact CB-CG1 4.3Å; V410-V448 HydrophobicContact CG1-CG1 3.51Å; V410-V448 HydrophobicContact CG2-CG1 3.81Å; V410-F460 HydrophobicContact CG2-CB 3.76Å; V410-R462 HydrophobicContact CG1-CB 4.25Å; V410-R462 HydrophobicContact CG1-CG 4.16Å; V410-R462 PolarHBondContact O-NH1 3.18Å
411	F	91.9	Very high	88.4	Confident	23 Å²	23	56.6 Å²	56.6	10%	0.101	31%	0.31	C	S	.	.			trans	-66.3	157.5	-176.6	-65.7	0.6	0	0	0	111.6	L406 A407 E416 F418 V439 T441 Y446	L406-F411 HydrophobicContact CB-CE1 3.96Å; L406-F411 HydrophobicContact CB-CZ 4.04Å; L406-F411 PolarHBondContact O-N 3Å; L406-F411 VanDerWaalsContact O-N 3.08Å; A407-F411 HydrophobicContact CB-CD2 3.89Å; A407-F411 HydrophobicContact CB-CE2 4.12Å; F411-E416 WeakPolarHBondContact CA-OE2 3.35Å; F411-E416 HydrophobicContact CB-CB 4.13Å; F411-E416 HydrophobicContact CB-CG 4.17Å; F411-E416 VanDerWaalsContact CB-OE2 3.27Å; F411-E416 WeakPolarHBondContact CB-OE2 3.36Å; F411-E416 HydrophobicContact CD1-CG 4.49Å; F411-E416 HydrophobicContact CD2-CB 3.86Å; F411-E416 HydrophobicContact CD2-CG 3.7Å; F411-E416 HydrophobicContact CE2-CG 4.26Å; F411-E416 HydrophobicContact CG-CB 4.19Å; F411-E416 HydrophobicContact CG-CG 3.86Å; F411-F418 HydrophobicContact CE2-CB 4.39Å; F411-F418 HydrophobicContact CZ-CB 4.08Å; F411-F418 HydrophobicContact CZ-CD2 4.46Å; F411-V439 HydrophobicContact CE1-CG1 3.98Å; F411-V439 HydrophobicContact CZ-CG1 4.42Å; F411-T441 HydrophobicContact CD1-CG2 4.09Å; F411-T441 HydrophobicContact CE1-CG2 3.6Å; F411-T441 HydrophobicContact CE2-CG2 4.27Å; F411-T441 HydrophobicContact CZ-CG2 3.71Å; F411-Y446 AromaticContact CD1-CD2 3.94Å; F411-Y446 HydrophobicContact CD1-CD2 3.94Å; F411-Y446 AromaticContact CD1-CE2 3.6Å; F411-Y446 HydrophobicContact CD1-CE2 3.6Å; F411-Y446 HydrophobicContact CE1-CD2 4.2Å; F411-Y446 HydrophobicContact CE1-CE2 4.21Å; F411-Y446 HydrophobicContact CG-CE2 4.36Å
412	T	88.5	Confident	88.6	Confident	72 Å²	72	54.4 Å²	54.4	44%	0.442	29%	0.287	S	S	.	.			trans	-119.4	-9.2	-173.7	62	0	0	0	0	115.1	E416 Y446	T412-E416 PolarHBondContact N-OE2 2.82Å; T412-E416 VanDerWaalsContact N-OE2 3.12Å; T412-Y446 HydrophobicContact CG2-CE1 4.24Å; T412-Y446 PolarHBondContact N-OH 3.47Å; T412-Y446 PolarHBondContact OG1-OH 2.96Å
413	E	84.2	Confident	88.6	Confident	93 Å²	93	56 Å²	56	44%	0.435	29%	0.292	S	S	.	.	S	Bend	trans	-126.7	132.8	-175.9	-56.9	-71.9	169	0	0	109.5	A415 E416	E413-A415 PolarHBondContact O-N 3.03Å; E413-E416 HydrophobicContact CB-CB 4.38Å; E413-E416 VanDerWaalsContact O-CB 3.28Å; E413-E416 WeakPolarHBondContact O-CB 3.39Å; E413-E416 PolarHBondContact O-N 2.84Å
414	E	74.7	Confident	88.6	Confident	180 Å²	180	54 Å²	54	84%	0.841	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	6.3	-171.4	-59.1	-176.2	152.2	0	0	115.5
415	A	83.1	Confident	88.5	Confident	73 Å²	73	51.7 Å²	51.7	60%	0.603	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	23.3	174.9	0	0	0	0	0	112.4	E413 N442	E413-A415 PolarHBondContact O-N 3.03Å; A415-N442 PolarHBondContact O-ND2 3.45Å
416	E	89.9	Confident	88.3	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.075	26%	0.258	C	S	.	.			trans	-76.2	125.5	178.6	-173.6	155.1	-146.1	0	0	112	F411 T412 E413 T441 A444 Y446	F411-E416 WeakPolarHBondContact CA-OE2 3.35Å; F411-E416 HydrophobicContact CB-CB 4.13Å; F411-E416 HydrophobicContact CB-CG 4.17Å; F411-E416 VanDerWaalsContact CB-OE2 3.27Å; F411-E416 WeakPolarHBondContact CB-OE2 3.36Å; F411-E416 HydrophobicContact CD1-CG 4.49Å; F411-E416 HydrophobicContact CD2-CB 3.86Å; F411-E416 HydrophobicContact CD2-CG 3.7Å; F411-E416 HydrophobicContact CE2-CG 4.26Å; F411-E416 HydrophobicContact CG-CB 4.19Å; F411-E416 HydrophobicContact CG-CG 3.86Å; T412-E416 PolarHBondContact N-OE2 2.82Å; T412-E416 VanDerWaalsContact N-OE2 3.12Å; E413-E416 HydrophobicContact CB-CB 4.38Å; E413-E416 VanDerWaalsContact O-CB 3.28Å; E413-E416 WeakPolarHBondContact O-CB 3.39Å; E413-E416 PolarHBondContact O-N 2.84Å; E416-T441 HydrophobicContact CG-CG2 3.79Å; E416-T441 WeakPolarHBondContact OE1-CB 3.03Å; E416-T441 WeakPolarHBondContact OE1-CG2 3.33Å; E416-T441 PolarHBondContact OE1-OG1 3.47Å; E416-A444 VanDerWaalsContact OE1-CB 3.23Å; E416-A444 WeakPolarHBondContact OE1-CB 3.43Å; E416-A444 PolarHBondContact OE1-N 2.86Å; E416-Y446 WeakPolarHBondContact OE1-CE2 3.37Å; E416-Y446 PolarHBondContact OE1-OH 3.47Å; E416-Y446 PolarHBondContact OE2-OH 3.11Å
417	Q	89.4	Confident	87.9	Confident	90 Å²	90	51.4 Å²	51.4	42%	0.421	26%	0.264	S	S	.	.			trans	-111.6	125.8	-176.8	-64.7	-171.2	-21.9	0	0	110.8	Y353 T441 N442	Y353-Q417 PolarHBondContact OH-NE2 2.89Å; Q417-T441 CarbonylContact O-C 3.53Å; Q417-T441 WeakPolarHBondContact O-CA 3.44Å; Q417-T441 WeakPolarHBondContact O-CB 3.38Å; Q417-N442 HydrophobicContact CB-CB 4.43Å; Q417-N442 PolarHBondContact N-OD1 3.28Å; Q417-N442 PolarHBondContact O-N 3.07Å
418	F	92.4	Very high	87.7	Confident	58 Å²	58	49.4 Å²	49.4	25%	0.254	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	141.1	170.7	177.6	-97.7	0	0	0	112.1	L398 V403 L406 F411 K420 M421 V439	L398-F418 HydrophobicContact CD1-CD2 4.44Å; L398-F418 HydrophobicContact CD1-CE2 3.67Å; L398-F418 HydrophobicContact CD1-CZ 3.73Å; L398-F418 HydrophobicContact CG-CZ 4.29Å; V403-F418 HydrophobicContact CG1-CB 3.75Å; V403-F418 HydrophobicContact CG1-CG 4.19Å; V403-F418 HydrophobicContact CG2-CD1 4.14Å; V403-F418 HydrophobicContact CG2-CE1 4.45Å; V403-F418 HydrophobicContact CG2-CG 4.33Å; L406-F418 HydrophobicContact CD1-CD2 4.25Å; L406-F418 HydrophobicContact CD1-CE2 4.28Å; F411-F418 HydrophobicContact CE2-CB 4.39Å; F411-F418 HydrophobicContact CZ-CB 4.08Å; F411-F418 HydrophobicContact CZ-CD2 4.46Å; F418-K420 VanDerWaalsContact CZ-C 3.43Å; F418-M421 HydrophobicContact CE2-CB 3.99Å; F418-M421 HydrophobicContact CZ-CB 3.98Å; F418-V439 HydrophobicContact CD2-CG1 3.84Å; F418-V439 HydrophobicContact CE2-CG1 3.97Å
419	Y	91.6	Very high	87.4	Confident	70 Å²	70	45.4 Å²	45.4	28%	0.275	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-52.8	174.6	174.7	-129.2	0	0	0	113.6	L440 A510 V513 S514	Y419-L440 WeakPolarHBondContact CA-O 3.26Å; Y419-L440 WeakPolarHBondContact CB-O 3.46Å; Y419-L440 PolarHBondContact N-O 2.83Å; Y419-A510 HydrophobicContact CE1-CB 4.05Å; Y419-V513 HydrophobicContact CE1-CB 4.18Å; Y419-V513 HydrophobicContact CE1-CG1 4.1Å; Y419-S514 WeakPolarHBondContact CD1-OG 3.49Å
420	K	93.3	Very high	87.1	Confident	29 Å²	29	43 Å²	43	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.9	177	-77.5	-157.8	173.9	-151.1	0	111.3	E392 E395 F418 F422 L440 A510	E392-K420 IonicContact OE2-NZ 3.72Å; E392-K420 PolarHBondContact OE2-NZ 2.96Å; E395-K420 WeakPolarHBondContact OE1-CD 3.45Å; E395-K420 WeakPolarHBondContact OE1-CE 3.43Å; E395-K420 IonicContact OE1-NZ 3.09Å; E395-K420 PolarHBondContact OE1-NZ 2.89Å; E395-K420 IonicContact OE2-NZ 2.74Å; E395-K420 PolarHBondContact OE2-NZ 2.93Å; F418-K420 VanDerWaalsContact CZ-C 3.43Å; K420-F422 HydrophobicContact CB-CD2 4.39Å; K420-F422 HydrophobicContact CB-CE2 3.8Å; K420-F422 HydrophobicContact CB-CZ 4.36Å; K420-F422 HydrophobicContact CD-CE1 4.45Å; K420-F422 HydrophobicContact CD-CE2 3.82Å; K420-F422 HydrophobicContact CD-CZ 3.53Å; K420-F422 HydrophobicContact CG-CE2 4.46Å; K420-L440 PolarHBondContact N-O 2.9Å; K420-L440 PolarHBondContact O-N 2.9Å; K420-A510 HydrophobicContact CD-CB 4.06Å
421	M	92.6	Very high	86.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.2	164.5	-177.4	-175.1	-95.7	0	0	109.5	V396 L398 L406 F418 H437 L438 V439 V448 F460	V396-M421 HydrophobicContact CB-CB 4.18Å; V396-M421 HydrophobicContact CB-CG 4.08Å; V396-M421 HydrophobicContact CB-SD 4.03Å; V396-M421 HydrophobicContact CG1-SD 3.9Å; V396-M421 PolarHBondContact N-O 2.89Å; L398-M421 HydrophobicContact CD1-CB 4.34Å; L398-M421 HydrophobicContact CD1-CE 4Å; L398-M421 HydrophobicContact CD1-SD 4.17Å; L398-M421 HydrophobicContact CD2-CE 4.35Å; L398-M421 HydrophobicContact CD2-SD 3.88Å; L398-M421 HydrophobicContact CG-SD 4.29Å; L406-M421 HydrophobicContact CD1-CE 4.06Å; F418-M421 HydrophobicContact CE2-CB 3.99Å; F418-M421 HydrophobicContact CZ-CB 3.98Å; M421-H437 HydrophobicContact CE-CB 3.72Å; M421-H437 HydrophobicContact CG-CB 3.89Å; M421-H437 HydrophobicContact SD-CB 3.71Å; M421-H437 VanDerWaalsContact SD-CD2 3.56Å; M421-L438 CarbonylContact C-O 3.55Å; M421-L438 WeakPolarHBondContact CA-O 3.49Å; M421-V439 HydrophobicContact CB-CG2 4.5Å; M421-V439 HydrophobicContact CE-CG2 3.43Å; M421-V439 VanDerWaalsContact CE-CG2 3.43Å; M421-V439 HydrophobicContact CG-CG2 4.15Å; M421-V448 HydrophobicContact CE-CG2 3.96Å; M421-F460 HydrophobicContact CE-CE1 4Å
422	F	91.8	Very high	85.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.1	172.5	-64.9	-87.3	0	0	0	110.6	G394 E395 K420 H437 L438 L440 L503 A506 I507 A510	G394-F422 WeakPolarHBondContact O-CA 3.48Å; E395-F422 HydrophobicContact CB-CD1 4.2Å; E395-F422 HydrophobicContact CB-CE1 4.08Å; E395-F422 HydrophobicContact CG-CE1 4.46Å; K420-F422 HydrophobicContact CB-CD2 4.39Å; K420-F422 HydrophobicContact CB-CE2 3.8Å; K420-F422 HydrophobicContact CB-CZ 4.36Å; K420-F422 HydrophobicContact CD-CE1 4.45Å; K420-F422 HydrophobicContact CD-CE2 3.82Å; K420-F422 HydrophobicContact CD-CZ 3.53Å; K420-F422 HydrophobicContact CG-CE2 4.46Å; F422-H437 CarbonylContact O-C 3.55Å; F422-H437 WeakPolarHBondContact O-CA 3.39Å; F422-L438 HydrophobicContact CB-CB 4.48Å; F422-L438 PolarHBondContact N-O 3.25Å; F422-L438 PolarHBondContact O-N 3.12Å; F422-L440 HydrophobicContact CD2-CD1 4.37Å; F422-L440 HydrophobicContact CE2-CD1 3.96Å; F422-L503 HydrophobicContact CB-CD1 4.21Å; F422-L503 HydrophobicContact CD1-CD1 3.94Å; F422-L503 HydrophobicContact CG-CD1 4.44Å; F422-A506 HydrophobicContact CE1-CB 3.87Å; F422-A506 HydrophobicContact CZ-CB 4.39Å; F422-I507 HydrophobicContact CB-CD1 4.06Å; F422-I507 HydrophobicContact CB-CG1 3.81Å; F422-I507 HydrophobicContact CD1-CG1 3.89Å; F422-I507 HydrophobicContact CD2-CG1 3.75Å; F422-I507 HydrophobicContact CE1-CG1 4.37Å; F422-I507 HydrophobicContact CE2-CG1 4.24Å; F422-I507 HydrophobicContact CG-CD1 4.33Å; F422-I507 HydrophobicContact CG-CG1 3.55Å; F422-A510 HydrophobicContact CE2-CB 3.69Å; F422-A510 HydrophobicContact CZ-CB 3.82Å
423	R	87	Confident	84.7	Confident	56 Å²	56	45.2 Å²	45.2	21%	0.211	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.6	176	-168.6	-179.1	69.2	133	7.8	110.1	G394 V396 I435 L503 W801 S804 V805	G394-R423 PolarHBondContact O-N 2.87Å; V396-R423 HydrophobicContact CG2-CB 3.85Å; R423-I435 HydrophobicContact CG-CD1 3.97Å; R423-I435 HydrophobicContact CG-CG2 3.51Å; R423-I435 VanDerWaalsContact NH1-CD1 3.34Å; R423-L503 WeakPolarHBondContact O-CD2 3.5Å; R423-W801 PolarHBondContact NH2-O 2.77Å; R423-S804 PolarHBondContact NH1-O 3.12Å; R423-V805 VanDerWaalsContact NH1-CG2 3.28Å
424	F	88.2	Confident	84.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	170.7	-177.5	77.1	-90.2	0	0	0	112.5	I435 R436 L438 V447 Y494 V496	F424-I435 WeakPolarHBondContact O-CA 3.5Å; F424-R436 HydrophobicContact CD1-CB 4.45Å; F424-R436 VanDerWaalsContact CD1-O 3.3Å; F424-R436 WeakPolarHBondContact CD1-O 3.15Å; F424-R436 HydrophobicContact CE1-CB 3.78Å; F424-R436 HydrophobicContact CE2-CB 4.11Å; F424-R436 HydrophobicContact CZ-CB 3.59Å; F424-R436 PolarHBondContact N-O 3.08Å; F424-R436 PolarHBondContact O-N 3.28Å; F424-R436 VanDerWaalsContact O-O 3.13Å; F424-L438 HydrophobicContact CD1-CB 3.84Å; F424-L438 HydrophobicContact CE1-CB 3.87Å; F424-V447 HydrophobicContact CE1-CG1 3.91Å; F424-V447 HydrophobicContact CE1-CG2 4.2Å; F424-V447 HydrophobicContact CZ-CB 4.42Å; F424-V447 HydrophobicContact CZ-CG1 3.57Å; F424-V447 HydrophobicContact CZ-CG2 3.95Å; F424-Y494 HydrophobicContact CE2-CE1 4.16Å; F424-Y494 AromaticContact CZ-CE1 3.95Å; F424-Y494 HydrophobicContact CZ-CE1 3.95Å; F424-V496 HydrophobicContact CB-CG1 4.03Å; F424-V496 HydrophobicContact CD1-CG1 4.1Å; F424-V496 HydrophobicContact CD2-CB 4.06Å; F424-V496 HydrophobicContact CD2-CG1 3.58Å; F424-V496 HydrophobicContact CD2-CG2 4.27Å; F424-V496 HydrophobicContact CE1-CG1 4.45Å; F424-V496 HydrophobicContact CE1-CG2 4.25Å; F424-V496 HydrophobicContact CE2-CB 4.03Å; F424-V496 HydrophobicContact CE2-CG1 4.01Å; F424-V496 HydrophobicContact CE2-CG2 3.81Å; F424-V496 HydrophobicContact CG-CG1 3.65Å; F424-V496 HydrophobicContact CZ-CB 4.46Å; F424-V496 HydrophobicContact CZ-CG1 4.4Å; F424-V496 HydrophobicContact CZ-CG2 3.78Å
425	Y	85.8	Confident	84.6	Confident	13 Å²	13	37 Å²	37	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.6	178.9	-64	-86.4	0	0	0	111.8	D434 I435 C497 W801	Y425-D434 CarbonylContact C-O 3.6Å; Y425-D434 WeakPolarHBondContact CA-O 3.05Å; Y425-I435 HydrophobicContact CD1-CD1 4.46Å; Y425-I435 HydrophobicContact CD1-CG1 3.94Å; Y425-I435 HydrophobicContact CE1-CD1 3.84Å; Y425-I435 HydrophobicContact CE1-CG1 3.75Å; Y425-C497 PolarHBondContact N-O 2.77Å; Y425-C497 WeakPolarHBondContact O-CA 3.49Å; Y425-C497 WeakPolarHBondContact O-CB 3.42Å; Y425-C497 PolarHBondContact O-N 2.84Å; Y425-C497 VanDerWaalsContact O-N 3.09Å; Y425-W801 HydrophobicContact CD2-CE3 4.41Å; Y425-W801 HydrophobicContact CD2-CZ3 4.13Å; Y425-W801 HydrophobicContact CE1-CE3 4.34Å; Y425-W801 AromaticContact CE2-CE3 3.65Å; Y425-W801 HydrophobicContact CE2-CE3 3.65Å; Y425-W801 AromaticContact CE2-CZ3 3.82Å; Y425-W801 HydrophobicContact CE2-CZ3 3.82Å; Y425-W801 AromaticContact CZ-CE3 3.62Å; Y425-W801 WeakPolarHBondContact OH-CA 3.23Å; Y425-W801 PolarHBondContact OH-O 3.25Å
426	H	83.6	Confident	84.8	Confident	40 Å²	40	34.7 Å²	34.7	19%	0.185	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130	172.5	-178.3	45.2	0	0	0	109.3	H428 D434 R436 Y494	H426-H428 PolarHBondContact O-N 3.42Å; H426-H428 VanDerWaalsContact O-N 3.08Å; H426-D434 HydrophobicContact CB-CB 4.07Å; H426-D434 PolarHBondContact N-O 3.41Å; H426-R436 HydrophobicContact CB-CG 3.93Å; H426-Y494 PolarHBondContact CE1-OH 3.31Å; H426-Y494 AromaticContact ND1-CZ 3.93Å; H426-Y494 PolarHBondContact ND1-OH 3.44Å
427	D	83.1	Confident	84.8	Confident	25 Å²	25	34.8 Å²	34.8	13%	0.134	17%	0.171	C	C	.	.	S	Bend	trans	54.8	27.2	172.7	-71.1	-16	0	0	0	117.6	Q429 K430 G431 A432	D427-Q429 VanDerWaalsContact C-OE1 3.29Å; D427-Q429 VanDerWaalsContact CA-OE1 3.26Å; D427-Q429 PolarHBondContact O-N 2.71Å; D427-Q429 PolarHBondContact OD1-NE2 2.91Å; D427-Q429 VanDerWaalsContact OD1-NE2 3.15Å; D427-K430 HydrophobicContact CB-CB 4.23Å; D427-K430 HydrophobicContact CB-CD 3.89Å; D427-K430 HydrophobicContact CB-CG 4.01Å; D427-K430 WeakPolarHBondContact O-CA 3.18Å; D427-K430 WeakPolarHBondContact O-CB 3.39Å; D427-K430 PolarHBondContact O-N 2.69Å; D427-K430 WeakPolarHBondContact OD1-CE 3.33Å; D427-K430 IonicContact OD1-NZ 3.84Å; D427-K430 PolarHBondContact OD1-NZ 3.47Å; D427-K430 VanDerWaalsContact OD2-CE 3.31Å; D427-K430 WeakPolarHBondContact OD2-CE 3.22Å; D427-K430 IonicContact OD2-NZ 2.7Å; D427-K430 PolarHBondContact OD2-NZ 3.21Å; D427-G431 PolarHBondContact O-N 2.76Å; D427-G431 VanDerWaalsContact O-N 3.13Å; D427-A432 HydrophobicContact CB-CB 4.02Å; D427-A432 PolarHBondContact O-N 3.22Å
428	H	85.3	Confident	85.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.1	170.8	-161.9	108.1	0	0	0	113.2	H426 K430 A432 C497 L559 V560 F561 A695 W801	H426-H428 PolarHBondContact O-N 3.42Å; H426-H428 VanDerWaalsContact O-N 3.08Å; H428-K430 VanDerWaalsContact C-N 3.27Å; H428-K430 PolarHBondContact O-N 3.42Å; H428-A432 VanDerWaalsContact CA-O 3.23Å; H428-A432 WeakPolarHBondContact CA-O 3.18Å; H428-C497 HydrophobicContact CB-CB 4.17Å; H428-L559 HydrophobicContact CB-CD1 4.41Å; H428-V560 PolarHBondContact NE2-O 3.26Å; H428-F561 AromaticContact CE1-CE1 3.87Å; H428-F561 AromaticContact CE1-CE2 3.86Å; H428-F561 AromaticContact CE1-CZ 3.68Å; H428-A695 CarbonylContact O-C 3.57Å; H428-W801 AromaticContact CE1-CH2 3.41Å; H428-W801 VanDerWaalsContact CE1-CH2 3.41Å; H428-W801 WeakPolarHBondContact CE1-CH2 3.33Å; H428-W801 AromaticContact CE1-CZ3 3.76Å; H428-W801 AromaticContact NE2-CH2 3.95Å
429	Q	81.2	Confident	85.2	Confident	5 Å²	5	27.7 Å²	27.7	2%	0.023	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.2	176	78.7	-67.5	-1.8	0	0	113.4	D427 C497 L559 Q709 E710	D427-Q429 VanDerWaalsContact C-OE1 3.29Å; D427-Q429 VanDerWaalsContact CA-OE1 3.26Å; D427-Q429 PolarHBondContact O-N 2.71Å; D427-Q429 PolarHBondContact OD1-NE2 2.91Å; D427-Q429 VanDerWaalsContact OD1-NE2 3.15Å; Q429-C497 PolarHBondContact OE1-SG 2.89Å; Q429-L559 HydrophobicContact CB-CD2 3.87Å; Q429-Q709 CarbonylContact O-C 3.59Å; Q429-Q709 WeakPolarHBondContact O-CA 3.37Å; Q429-E710 HydrophobicContact CB-CG 4.33Å; Q429-E710 HydrophobicContact CG-CB 4.1Å; Q429-E710 HydrophobicContact CG-CG 4.14Å; Q429-E710 WeakPolarHBondContact CG-OE2 3.37Å; Q429-E710 PolarHBondContact O-N 2.96Å
430	K	81.3	Confident	85.3	Confident	59 Å²	59	24.4 Å²	24.4	26%	0.257	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-23.2	179	-48.3	-173.6	-170.7	161.6	0	113.7	D427 H428 E710 D712	D427-K430 HydrophobicContact CB-CB 4.23Å; D427-K430 HydrophobicContact CB-CD 3.89Å; D427-K430 HydrophobicContact CB-CG 4.01Å; D427-K430 WeakPolarHBondContact O-CA 3.18Å; D427-K430 WeakPolarHBondContact O-CB 3.39Å; D427-K430 PolarHBondContact O-N 2.69Å; D427-K430 WeakPolarHBondContact OD1-CE 3.33Å; D427-K430 IonicContact OD1-NZ 3.84Å; D427-K430 PolarHBondContact OD1-NZ 3.47Å; D427-K430 VanDerWaalsContact OD2-CE 3.31Å; D427-K430 WeakPolarHBondContact OD2-CE 3.22Å; D427-K430 IonicContact OD2-NZ 2.7Å; D427-K430 PolarHBondContact OD2-NZ 3.21Å; H428-K430 VanDerWaalsContact C-N 3.27Å; H428-K430 PolarHBondContact O-N 3.42Å; K430-E710 VanDerWaalsContact CA-O 3.3Å; K430-E710 WeakPolarHBondContact CA-O 3.44Å; K430-E710 WeakPolarHBondContact CB-O 3.2Å; K430-E710 WeakPolarHBondContact CG-O 3.43Å; K430-D712 WeakPolarHBondContact CD-OD1 3.27Å; K430-D712 VanDerWaalsContact CE-OD1 3.3Å; K430-D712 WeakPolarHBondContact CE-OD1 3.47Å; K430-D712 IonicContact NZ-OD1 2.98Å; K430-D712 PolarHBondContact NZ-OD1 3.02Å
431	G	76.8	Confident	85.3	Confident	26 Å²	26	23 Å²	23	27%	0.268	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	120.8	-9.8	-179.6	0	0	0	0	0	115.3	D427 A695 Q709	D427-G431 PolarHBondContact O-N 2.76Å; D427-G431 VanDerWaalsContact O-N 3.13Å; G431-A695 WeakPolarHBondContact CA-O 3.13Å; G431-Q709 VanDerWaalsContact CA-NE2 3.31Å
432	A	71.6	Confident	85.1	Confident	44 Å²	44	25.2 Å²	25.2	36%	0.364	13%	0.131	S	C	.	.			trans	-71.7	171.3	161.5	0	0	0	0	0	110.1	D427 H428 A695	D427-A432 HydrophobicContact CB-CB 4.02Å; D427-A432 PolarHBondContact O-N 3.22Å; H428-A432 VanDerWaalsContact CA-O 3.23Å; H428-A432 WeakPolarHBondContact CA-O 3.18Å; A432-A695 VanDerWaalsContact O-CB 3.23Å; A432-A695 WeakPolarHBondContact O-CB 3.27Å
433	F	72.7	Confident	85	Confident	72 Å²	72	27 Å²	27	32%	0.316	14%	0.14	S	C	.	.			trans	-151.9	32.2	171.5	53.2	-87.8	0	0	0	111.2	F561 A695	F433-F561 HydrophobicContact CB-CE1 3.77Å; F433-F561 HydrophobicContact CB-CZ 3.74Å; F433-F561 AromaticContact CD1-CE1 3.97Å; F433-F561 HydrophobicContact CD1-CE1 3.97Å; F433-F561 HydrophobicContact CD2-CE1 4.36Å; F433-F561 HydrophobicContact CD2-CZ 4.29Å; F433-F561 AromaticContact CG-CE1 3.75Å; F433-F561 HydrophobicContact CG-CE1 3.75Å; F433-F561 AromaticContact CG-CZ 3.97Å; F433-F561 HydrophobicContact CG-CZ 3.97Å; F433-A695 HydrophobicContact CB-CB 4.28Å; F433-A695 HydrophobicContact CD1-CB 4.39Å
434	D	75.3	Confident	85.2	Confident	77 Å²	77	24.4 Å²	24.4	41%	0.412	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	141.5	177.4	-105.5	40	0	0	0	110.6	Y425 H426 R436	Y425-D434 CarbonylContact C-O 3.6Å; Y425-D434 WeakPolarHBondContact CA-O 3.05Å; H426-D434 HydrophobicContact CB-CB 4.07Å; H426-D434 PolarHBondContact N-O 3.41Å; D434-R436 IonicContact OD2-CZ 3.24Å; D434-R436 IonicContact OD2-NH1 3.85Å; D434-R436 PolarHBondContact OD2-NH1 2.8Å; D434-R436 IonicContact OD2-NH2 3Å; D434-R436 PolarHBondContact OD2-NH2 3.26Å
435	I	80.6	Confident	85.4	Confident	23 Å²	23	24.4 Å²	24.4	12%	0.118	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.1	170.1	-76.7	-157	0	0	0	110.8	R423 F424 Y425 S804	R423-I435 HydrophobicContact CG-CD1 3.97Å; R423-I435 HydrophobicContact CG-CG2 3.51Å; R423-I435 VanDerWaalsContact NH1-CD1 3.34Å; F424-I435 WeakPolarHBondContact O-CA 3.5Å; Y425-I435 HydrophobicContact CD1-CD1 4.46Å; Y425-I435 HydrophobicContact CD1-CG1 3.94Å; Y425-I435 HydrophobicContact CE1-CD1 3.84Å; Y425-I435 HydrophobicContact CE1-CG1 3.75Å; I435-S804 WeakPolarHBondContact CD1-OG 3.29Å
436	R	87.4	Confident	85.8	Confident	26 Å²	26	23.9 Å²	23.9	10%	0.098	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	167.1	170.6	-65	-62	-175.8	-80.8	-12.7	109.8	F424 H426 D434 V447 D463	F424-R436 HydrophobicContact CD1-CB 4.45Å; F424-R436 VanDerWaalsContact CD1-O 3.3Å; F424-R436 WeakPolarHBondContact CD1-O 3.15Å; F424-R436 HydrophobicContact CE1-CB 3.78Å; F424-R436 HydrophobicContact CE2-CB 4.11Å; F424-R436 HydrophobicContact CZ-CB 3.59Å; F424-R436 PolarHBondContact N-O 3.08Å; F424-R436 PolarHBondContact O-N 3.28Å; F424-R436 VanDerWaalsContact O-O 3.13Å; H426-R436 HydrophobicContact CB-CG 3.93Å; D434-R436 IonicContact OD2-CZ 3.24Å; D434-R436 IonicContact OD2-NH1 3.85Å; D434-R436 PolarHBondContact OD2-NH1 2.8Å; D434-R436 IonicContact OD2-NH2 3Å; D434-R436 PolarHBondContact OD2-NH2 3.26Å; R436-V447 HydrophobicContact CB-CG1 3.84Å; R436-V447 HydrophobicContact CG-CG1 4.32Å; R436-D463 WeakPolarHBondContact CD-OD2 3.18Å; R436-D463 IonicContact CZ-OD2 2.68Å; R436-D463 IonicContact NE-OD2 3.4Å; R436-D463 PolarHBondContact NE-OD2 3.33Å
437	H	90.8	Very high	86.3	Confident	17 Å²	17	22 Å²	22	8%	0.079	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.9	-177.4	-61.7	84.3	0	0	0	110.5	M421 F422 V447 V448	M421-H437 HydrophobicContact CE-CB 3.72Å; M421-H437 HydrophobicContact CG-CB 3.89Å; M421-H437 HydrophobicContact SD-CB 3.71Å; M421-H437 VanDerWaalsContact SD-CD2 3.56Å; F422-H437 CarbonylContact O-C 3.55Å; F422-H437 WeakPolarHBondContact O-CA 3.39Å; H437-V447 WeakPolarHBondContact O-CA 3.15Å; H437-V448 HydrophobicContact CB-CG2 3.82Å; H437-V448 PolarHBondContact N-O 2.83Å; H437-V448 PolarHBondContact O-N 3.07Å
438	L	93.9	Very high	86.7	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	110.9	175.4	-173.7	72.6	0	0	0	108.2	M421 F422 F424 L440 V445 Y446 V447 F485 V496 I507	M421-L438 CarbonylContact C-O 3.55Å; M421-L438 WeakPolarHBondContact CA-O 3.49Å; F422-L438 HydrophobicContact CB-CB 4.48Å; F422-L438 PolarHBondContact N-O 3.25Å; F422-L438 PolarHBondContact O-N 3.12Å; F424-L438 HydrophobicContact CD1-CB 3.84Å; F424-L438 HydrophobicContact CE1-CB 3.87Å; L438-L440 HydrophobicContact CD2-CD2 4.25Å; L438-L440 HydrophobicContact CG-CD2 4.14Å; L438-V445 HydrophobicContact CD1-CG2 3.45Å; L438-V445 VanDerWaalsContact CD1-CG2 3.45Å; L438-V445 HydrophobicContact CG-CG2 4.2Å; L438-Y446 CarbonylContact C-O 3.39Å; L438-Y446 WeakPolarHBondContact CA-O 3.25Å; L438-V447 HydrophobicContact CD1-CG2 3.98Å; L438-F485 HydrophobicContact CD1-CE2 3.98Å; L438-F485 HydrophobicContact CD1-CZ 4.09Å; L438-F485 HydrophobicContact CD2-CZ 4.21Å; L438-V496 HydrophobicContact CD1-CG2 4.23Å; L438-I507 HydrophobicContact CD2-CB 4.47Å; L438-I507 HydrophobicContact CD2-CD1 4.1Å; L438-I507 HydrophobicContact CD2-CG1 4.17Å; L438-I507 HydrophobicContact CD2-CG2 3.47Å; L438-I507 VanDerWaalsContact CD2-CG2 3.47Å
439	V	94.6	Very high	86.8	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.4	177.4	178.9	0	0	0	0	109.4	L406 F411 F418 M421 T441 Y446 V448	L406-V439 HydrophobicContact CD1-CG1 4.38Å; L406-V439 HydrophobicContact CD1-CG2 4.16Å; L406-V439 HydrophobicContact CD2-CG2 4.29Å; F411-V439 HydrophobicContact CE1-CG1 3.98Å; F411-V439 HydrophobicContact CZ-CG1 4.42Å; F418-V439 HydrophobicContact CD2-CG1 3.84Å; F418-V439 HydrophobicContact CE2-CG1 3.97Å; M421-V439 HydrophobicContact CB-CG2 4.5Å; M421-V439 HydrophobicContact CE-CG2 3.43Å; M421-V439 VanDerWaalsContact CE-CG2 3.43Å; M421-V439 HydrophobicContact CG-CG2 4.15Å; V439-T441 HydrophobicContact CG1-CG2 4.31Å; V439-Y446 PolarHBondContact N-O 3.28Å; V439-Y446 PolarHBondContact O-N 3.16Å; V439-V448 HydrophobicContact CG2-CG1 4.49Å; V439-V448 HydrophobicContact CG2-CG2 4Å
440	L	94.4	Very high	86.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132	174.3	-53.2	-173.2	0	0	0	109.3	Y419 K420 F422 L438 V445 A510 L511	Y419-L440 WeakPolarHBondContact CA-O 3.26Å; Y419-L440 WeakPolarHBondContact CB-O 3.46Å; Y419-L440 PolarHBondContact N-O 2.83Å; K420-L440 PolarHBondContact N-O 2.9Å; K420-L440 PolarHBondContact O-N 2.9Å; F422-L440 HydrophobicContact CD2-CD1 4.37Å; F422-L440 HydrophobicContact CE2-CD1 3.96Å; L438-L440 HydrophobicContact CD2-CD2 4.25Å; L438-L440 HydrophobicContact CG-CD2 4.14Å; L440-V445 HydrophobicContact CD2-CB 4.21Å; L440-V445 HydrophobicContact CD2-CG2 3.81Å; L440-A510 HydrophobicContact CD1-CB 3.63Å; L440-L511 HydrophobicContact CD1-CD2 4.25Å; L440-L511 HydrophobicContact CD1-CG 4Å; L440-L511 HydrophobicContact CD2-CD2 3.52Å; L440-L511 HydrophobicContact CD2-CG 4.03Å
441	T	93.1	Very high	86.6	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-168.4	176.8	72.9	0	0	0	0	110.5	F411 E416 Q417 V439 Q443 A444 Y446 Y468 S514	F411-T441 HydrophobicContact CD1-CG2 4.09Å; F411-T441 HydrophobicContact CE1-CG2 3.6Å; F411-T441 HydrophobicContact CE2-CG2 4.27Å; F411-T441 HydrophobicContact CZ-CG2 3.71Å; E416-T441 HydrophobicContact CG-CG2 3.79Å; E416-T441 WeakPolarHBondContact OE1-CB 3.03Å; E416-T441 WeakPolarHBondContact OE1-CG2 3.33Å; E416-T441 PolarHBondContact OE1-OG1 3.47Å; Q417-T441 CarbonylContact O-C 3.53Å; Q417-T441 WeakPolarHBondContact O-CA 3.44Å; Q417-T441 WeakPolarHBondContact O-CB 3.38Å; V439-T441 HydrophobicContact CG1-CG2 4.31Å; T441-Q443 PolarHBondContact OG1-N 2.69Å; T441-A444 PolarHBondContact N-O 3.24Å; T441-A444 VanDerWaalsContact N-O 3.16Å; T441-A444 PolarHBondContact OG1-N 3.4Å; T441-A444 PolarHBondContact OG1-O 3.37Å; T441-A444 VanDerWaalsContact OG1-O 3.11Å; T441-Y446 HydrophobicContact CG2-CD2 4.12Å; T441-Y446 HydrophobicContact CG2-CE2 3.94Å; T441-Y468 PolarHBondContact O-OH 3.05Å; T441-S514 VanDerWaalsContact O-CB 3.31Å; T441-S514 WeakPolarHBondContact O-CB 3.46Å; T441-S514 PolarHBondContact O-OG 3.37Å
442	N	89.5	Confident	86	Confident	46 Å²	46	29 Å²	29	25%	0.246	16%	0.159	C	C	.	.	S	Bend	trans	-75.7	-16.2	166.2	63	-16.8	0	0	0	114	A415 Q417	A415-N442 PolarHBondContact O-ND2 3.45Å; Q417-N442 HydrophobicContact CB-CB 4.43Å; Q417-N442 PolarHBondContact N-OD1 3.28Å; Q417-N442 PolarHBondContact O-N 3.07Å
443	Q	88.1	Confident	85.1	Confident	39 Å²	39	32.4 Å²	32.4	18%	0.182	17%	0.17	C	C	.	.	S	Bend	trans	-126.4	-28.4	-171.4	-66.8	-165.8	75.6	0	0	115.4	T441 P467 Y468	T441-Q443 PolarHBondContact OG1-N 2.69Å; Q443-P467 WeakPolarHBondContact O-CA 3.46Å; Q443-Y468 WeakPolarHBondContact O-CD2 3.2Å; Q443-Y468 PolarHBondContact O-N 3.21Å
444	A	91.2	Very high	84.1	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	169.8	-171.8	0	0	0	0	0	113.9	E416 T441 Y446 A466 Y468	E416-A444 VanDerWaalsContact OE1-CB 3.23Å; E416-A444 WeakPolarHBondContact OE1-CB 3.43Å; E416-A444 PolarHBondContact OE1-N 2.86Å; T441-A444 PolarHBondContact N-O 3.24Å; T441-A444 VanDerWaalsContact N-O 3.16Å; T441-A444 PolarHBondContact OG1-N 3.4Å; T441-A444 PolarHBondContact OG1-O 3.37Å; T441-A444 VanDerWaalsContact OG1-O 3.11Å; A444-Y446 HydrophobicContact CB-CE1 4.4Å; A444-Y446 HydrophobicContact CB-CE2 3.79Å; A444-A466 WeakPolarHBondContact CA-O 3.29Å; A444-A466 WeakPolarHBondContact CB-O 3.41Å; A444-Y468 PolarHBondContact O-OH 2.99Å
445	V	93.3	Very high	82.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.7	164.6	54.2	0	0	0	0	109.4	L438 L440 G465 A466 Y468 L471 F485	L438-V445 HydrophobicContact CD1-CG2 3.45Å; L438-V445 VanDerWaalsContact CD1-CG2 3.45Å; L438-V445 HydrophobicContact CG-CG2 4.2Å; L440-V445 HydrophobicContact CD2-CB 4.21Å; L440-V445 HydrophobicContact CD2-CG2 3.81Å; V445-G465 WeakPolarHBondContact O-CA 3.35Å; V445-A466 HydrophobicContact CG1-CB 4.3Å; V445-A466 PolarHBondContact N-O 2.86Å; V445-A466 PolarHBondContact O-N 2.77Å; V445-Y468 HydrophobicContact CB-CE1 4.05Å; V445-Y468 HydrophobicContact CG1-CE1 4.34Å; V445-L471 HydrophobicContact CG1-CD1 4.08Å; V445-F485 HydrophobicContact CB-CE1 4.45Å; V445-F485 HydrophobicContact CG1-CD1 3.99Å; V445-F485 HydrophobicContact CG1-CE1 4.05Å; V445-F485 HydrophobicContact CG2-CE1 3.99Å; V445-F485 HydrophobicContact CG2-CZ 3.99Å
446	Y	94.1	Very high	81.6	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.4	175.4	-58.5	-74.4	0	0	0	110.8	V410 F411 T412 E416 L438 V439 T441 A444 R462 F464 G465	V410-Y446 HydrophobicContact CG1-CD1 3.94Å; V410-Y446 HydrophobicContact CG1-CD2 4.09Å; V410-Y446 HydrophobicContact CG1-CG 3.7Å; F411-Y446 AromaticContact CD1-CD2 3.94Å; F411-Y446 HydrophobicContact CD1-CD2 3.94Å; F411-Y446 AromaticContact CD1-CE2 3.6Å; F411-Y446 HydrophobicContact CD1-CE2 3.6Å; F411-Y446 HydrophobicContact CE1-CD2 4.2Å; F411-Y446 HydrophobicContact CE1-CE2 4.21Å; F411-Y446 HydrophobicContact CG-CE2 4.36Å; T412-Y446 HydrophobicContact CG2-CE1 4.24Å; T412-Y446 PolarHBondContact N-OH 3.47Å; T412-Y446 PolarHBondContact OG1-OH 2.96Å; E416-Y446 WeakPolarHBondContact OE1-CE2 3.37Å; E416-Y446 PolarHBondContact OE1-OH 3.47Å; E416-Y446 PolarHBondContact OE2-OH 3.11Å; L438-Y446 CarbonylContact C-O 3.39Å; L438-Y446 WeakPolarHBondContact CA-O 3.25Å; V439-Y446 PolarHBondContact N-O 3.28Å; V439-Y446 PolarHBondContact O-N 3.16Å; T441-Y446 HydrophobicContact CG2-CD2 4.12Å; T441-Y446 HydrophobicContact CG2-CE2 3.94Å; A444-Y446 HydrophobicContact CB-CE1 4.4Å; A444-Y446 HydrophobicContact CB-CE2 3.79Å; Y446-R462 HydrophobicContact CD1-CG 4.19Å; Y446-F464 CarbonylContact C-O 3.54Å; Y446-F464 WeakPolarHBondContact CA-O 3.31Å; Y446-G465 VanDerWaalsContact CD1-CA 3.44Å
447	V	93.3	Very high	80.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129	158.4	177.9	0	0	0	0	107.5	F424 R436 H437 L438 D463 F464 Y494 V496	F424-V447 HydrophobicContact CE1-CG1 3.91Å; F424-V447 HydrophobicContact CE1-CG2 4.2Å; F424-V447 HydrophobicContact CZ-CB 4.42Å; F424-V447 HydrophobicContact CZ-CG1 3.57Å; F424-V447 HydrophobicContact CZ-CG2 3.95Å; R436-V447 HydrophobicContact CB-CG1 3.84Å; R436-V447 HydrophobicContact CG-CG1 4.32Å; H437-V447 WeakPolarHBondContact O-CA 3.15Å; L438-V447 HydrophobicContact CD1-CG2 3.98Å; V447-D463 HydrophobicContact CB-CB 4.44Å; V447-D463 HydrophobicContact CG1-CB 4.15Å; V447-D463 PolarHBondContact O-N 3Å; V447-F464 HydrophobicContact CB-CB 4.04Å; V447-F464 HydrophobicContact CG2-CB 4.25Å; V447-F464 HydrophobicContact CG2-CD1 4.39Å; V447-F464 PolarHBondContact N-O 2.91Å; V447-F464 PolarHBondContact O-N 3.1Å; V447-Y494 HydrophobicContact CB-CE1 4.31Å; V447-Y494 HydrophobicContact CG1-CE1 4.07Å; V447-Y494 HydrophobicContact CG2-CD1 3.82Å; V447-Y494 HydrophobicContact CG2-CE1 3.76Å; V447-Y494 HydrophobicContact CG2-CG 4.32Å; V447-V496 HydrophobicContact CG2-CG2 4.47Å
448	V	92.3	Very high	79.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141	177.5	-54.7	0	0	0	0	111.3	L406 V410 M421 H437 V439 F460 S461	L406-V448 HydrophobicContact CD2-CG1 4.3Å; L406-V448 HydrophobicContact CD2-CG2 4.35Å; V410-V448 HydrophobicContact CB-CG1 4.3Å; V410-V448 HydrophobicContact CG1-CG1 3.51Å; V410-V448 HydrophobicContact CG2-CG1 3.81Å; M421-V448 HydrophobicContact CE-CG2 3.96Å; H437-V448 HydrophobicContact CB-CG2 3.82Å; H437-V448 PolarHBondContact N-O 2.83Å; H437-V448 PolarHBondContact O-N 3.07Å; V439-V448 HydrophobicContact CG2-CG1 4.49Å; V439-V448 HydrophobicContact CG2-CG2 4Å; V448-F460 HydrophobicContact CB-CB 4.5Å; V448-F460 HydrophobicContact CG2-CD1 3.96Å; V448-S461 CarbonylContact C-O 3.59Å; V448-S461 WeakPolarHBondContact CA-O 3.41Å; V448-S461 WeakPolarHBondContact CB-O 3.46Å
449	N	88.4	Confident	78.8	Confident	47 Å²	47	46 Å²	46	25%	0.251	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.2	157.7	-161.9	-0.3	0	0	0	108.8	F460 S461	N449-F460 WeakPolarHBondContact O-CA 3.39Å; N449-S461 PolarHBondContact N-O 2.72Å; N449-S461 PolarHBondContact O-N 3.5Å; N449-S461 VanDerWaalsContact O-N 3.16Å
450	R	82.8	Confident	78.4	Confident	78 Å²	78	46.5 Å²	46.5	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	109.4	-176.6	173.2	-174	171.8	118.3	5.8	107.5	E402 L458 F460	E402-R450 IonicContact OE1-CZ 3.57Å; E402-R450 IonicContact OE1-NH1 2.83Å; E402-R450 PolarHBondContact OE1-NH1 3.41Å; E402-R450 IonicContact OE1-NH2 3.02Å; E402-R450 PolarHBondContact OE1-NH2 3.08Å; R450-L458 HydrophobicContact CG-CD2 4.37Å; R450-F460 HydrophobicContact CB-CD1 4.08Å; R450-F460 HydrophobicContact CB-CE1 3.96Å; R450-F460 HydrophobicContact CG-CD1 4.28Å; R450-F460 HydrophobicContact CG-CE1 3.75Å
451	S	73.5	Confident	77.9	Confident	48 Å²	48	49.2 Å²	49.2	34%	0.336	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.1	-177.9	50.2	0	0	0	0	111.6	S459	S451-S459 PolarHBondContact N-O 2.85Å; S451-S459 PolarHBondContact O-N 3.21Å; S451-S459 PolarHBondContact O-OG 2.86Å; S451-S459 PolarHBondContact OG-OG 2.96Å
452	S	64.7	Low	77.7	Confident	91 Å²	91	54.9 Å²	54.9	64%	0.636	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.2	172	51.3	0	0	0	0	110.7	A457	S452-A457 CarbonylContact C-O 3.6Å; S452-A457 WeakPolarHBondContact CA-O 3.09Å
453	I	52.1	Low	77.6	Confident	115 Å²	115	55.9 Å²	55.9	59%	0.59	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	96.5	170.5	-59.6	-176.5	0	0	0	107.5	A457 S459	I453-A457 PolarHBondContact N-O 2.75Å; I453-S459 WeakPolarHBondContact CD1-OG 3.39Å
454	G	52.1	Low	77.7	Confident	53 Å²	53	55.3 Å²	55.3	55%	0.546	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	-163.5	-172.6	0	0	0	0	0	113.2	S456	G454-S456 VanDerWaalsContact C-N 3.28Å; G454-S456 PolarHBondContact O-N 3.46Å
455	D	50	Low	77.6	Confident	181 Å²	181	57 Å²	57	97%	0.968	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-2.3	-166.8	-63.3	-31.5	0	0	0	115.6
456	S	54.6	Low	77.4	Confident	123 Å²	123	57 Å²	57	86%	0.86	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.2	-10.8	-168.6	-158.6	0	0	0	0	117.2	G454	G454-S456 VanDerWaalsContact C-N 3.28Å; G454-S456 PolarHBondContact O-N 3.46Å
457	A	62.1	Low	77.2	Confident	53 Å²	53	57.6 Å²	57.6	44%	0.438	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.4	178.6	0	0	0	0	0	111.3	S452 I453	S452-A457 CarbonylContact C-O 3.6Å; S452-A457 WeakPolarHBondContact CA-O 3.09Å; I453-A457 PolarHBondContact N-O 2.75Å
458	L	72.5	Confident	76.9	Confident	59 Å²	59	57.6 Å²	57.6	31%	0.309	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.3	172.7	-71.4	162	0	0	0	109	E402 R450	E402-L458 HydrophobicContact CG-CD1 4.07Å; E402-L458 WeakPolarHBondContact OE1-CD1 2.93Å; R450-L458 HydrophobicContact CG-CD2 4.37Å
459	S	77.9	Confident	76.5	Confident	30 Å²	30	62.3 Å²	62.3	21%	0.21	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.5	171.8	66.1	0	0	0	0	111	S451 I453	S451-S459 PolarHBondContact N-O 2.85Å; S451-S459 PolarHBondContact O-N 3.21Å; S451-S459 PolarHBondContact O-OG 2.86Å; S451-S459 PolarHBondContact OG-OG 2.96Å; I453-S459 WeakPolarHBondContact CD1-OG 3.39Å
460	F	86.2	Confident	76.4	Confident	11 Å²	11	65.4 Å²	65.4	5%	0.048	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.7	175.2	-61.2	-76.5	0	0	0	109.4	E402 E405 L406 V410 M421 V448 N449 R450	E402-F460 HydrophobicContact CB-CE2 4.27Å; E402-F460 HydrophobicContact CB-CZ 4.27Å; E405-F460 HydrophobicContact CB-CD2 3.97Å; E405-F460 HydrophobicContact CB-CE2 4.02Å; L406-F460 HydrophobicContact CD2-CB 3.84Å; L406-F460 HydrophobicContact CD2-CD1 3.82Å; L406-F460 HydrophobicContact CD2-CD2 3.7Å; L406-F460 HydrophobicContact CD2-CE1 4.26Å; L406-F460 HydrophobicContact CD2-CE2 4.16Å; L406-F460 HydrophobicContact CD2-CG 3.5Å; L406-F460 HydrophobicContact CD2-CZ 4.42Å; L406-F460 HydrophobicContact CG-CD2 3.88Å; L406-F460 HydrophobicContact CG-CE2 3.97Å; L406-F460 HydrophobicContact CG-CG 4.21Å; L406-F460 HydrophobicContact CG-CZ 4.37Å; V410-F460 HydrophobicContact CG2-CB 3.76Å; M421-F460 HydrophobicContact CE-CE1 4Å; V448-F460 HydrophobicContact CB-CB 4.5Å; V448-F460 HydrophobicContact CG2-CD1 3.96Å; N449-F460 WeakPolarHBondContact O-CA 3.39Å; R450-F460 HydrophobicContact CB-CD1 4.08Å; R450-F460 HydrophobicContact CB-CE1 3.96Å; R450-F460 HydrophobicContact CG-CD1 4.28Å; R450-F460 HydrophobicContact CG-CE1 3.75Å
461	S	85	Confident	76.6	Confident	57 Å²	57	62 Å²	62	40%	0.399	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.5	168.4	58	0	0	0	0	109.9	V448 N449	V448-S461 CarbonylContact C-O 3.59Å; V448-S461 WeakPolarHBondContact CA-O 3.41Å; V448-S461 WeakPolarHBondContact CB-O 3.46Å; N449-S461 PolarHBondContact N-O 2.72Å; N449-S461 PolarHBondContact O-N 3.5Å; N449-S461 VanDerWaalsContact O-N 3.16Å
462	R	88.1	Confident	77.1	Confident	120 Å²	120	61.9 Å²	61.9	45%	0.453	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	101.5	-172.9	-176.8	-177.7	63.5	-149.2	-2.1	111.3	V410 Y446 F464	V410-R462 HydrophobicContact CG1-CB 4.25Å; V410-R462 HydrophobicContact CG1-CG 4.16Å; V410-R462 PolarHBondContact O-NH1 3.18Å; Y446-R462 HydrophobicContact CD1-CG 4.19Å; R462-F464 WeakPolarHBondContact CG-O 3.15Å
463	D	86.9	Confident	78.1	Confident	66 Å²	66	58.9 Å²	58.9	35%	0.353	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-35.1	175.3	-65.4	4.9	0	0	0	111.7	R436 V447 Y494	R436-D463 WeakPolarHBondContact CD-OD2 3.18Å; R436-D463 IonicContact CZ-OD2 2.68Å; R436-D463 IonicContact NE-OD2 3.4Å; R436-D463 PolarHBondContact NE-OD2 3.33Å; V447-D463 HydrophobicContact CB-CB 4.44Å; V447-D463 HydrophobicContact CG1-CB 4.15Å; V447-D463 PolarHBondContact O-N 3Å; D463-Y494 HydrophobicContact CB-CE2 4.4Å
464	F	90.3	Very high	80	Confident	28 Å²	28	53.6 Å²	53.6	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149.9	178.3	175.5	-97	0	0	0	111.3	Y446 V447 R462 A466 F485 L487 Y494	Y446-F464 CarbonylContact C-O 3.54Å; Y446-F464 WeakPolarHBondContact CA-O 3.31Å; V447-F464 HydrophobicContact CB-CB 4.04Å; V447-F464 HydrophobicContact CG2-CB 4.25Å; V447-F464 HydrophobicContact CG2-CD1 4.39Å; V447-F464 PolarHBondContact N-O 2.91Å; V447-F464 PolarHBondContact O-N 3.1Å; R462-F464 WeakPolarHBondContact CG-O 3.15Å; F464-A466 HydrophobicContact CE1-CB 3.72Å; F464-A466 HydrophobicContact CZ-CB 3.65Å; F464-F485 HydrophobicContact CE1-CB 4.22Å; F464-F485 HydrophobicContact CZ-CB 4.21Å; F464-L487 HydrophobicContact CE2-CD1 4.27Å; F464-L487 HydrophobicContact CE2-CG 4.46Å; F464-L487 HydrophobicContact CZ-CD2 4.35Å; F464-Y494 HydrophobicContact CB-CD2 3.57Å; F464-Y494 HydrophobicContact CB-CE2 4.08Å; F464-Y494 HydrophobicContact CB-CG 4.05Å; F464-Y494 HydrophobicContact CD1-CG 4.46Å; F464-Y494 HydrophobicContact CD2-CD2 4.19Å; F464-Y494 HydrophobicContact CD2-CG 4.36Å; F464-Y494 AromaticContact CG-CD2 3.97Å; F464-Y494 HydrophobicContact CG-CD2 3.97Å; F464-Y494 HydrophobicContact CG-CG 4.07Å
465	G	89.8	Confident	81.8	Confident	35 Å²	35	52.3 Å²	52.3	36%	0.361	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	126.7	175.6	0	0	0	0	0	112.5	V445 Y446	V445-G465 WeakPolarHBondContact O-CA 3.35Å; Y446-G465 VanDerWaalsContact CD1-CA 3.44Å
466	A	89.3	Confident	83.8	Confident	1 Å²	1	44 Å²	44	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	112.5	-178.2	0	0	0	0	0	111.7	A444 V445 F464 L471 L487	A444-A466 WeakPolarHBondContact CA-O 3.29Å; A444-A466 WeakPolarHBondContact CB-O 3.41Å; V445-A466 HydrophobicContact CG1-CB 4.3Å; V445-A466 PolarHBondContact N-O 2.86Å; V445-A466 PolarHBondContact O-N 2.77Å; F464-A466 HydrophobicContact CE1-CB 3.72Å; F464-A466 HydrophobicContact CZ-CB 3.65Å; A466-L471 HydrophobicContact CB-CD2 3.87Å; A466-L471 HydrophobicContact CB-CG 4.43Å; A466-L487 HydrophobicContact CB-CD2 3.82Å
467	P	88.4	Confident	85.4	Confident	13 Å²	13	38.6 Å²	38.6	8%	0.084	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	140.9	163.4	-27.7	36	0	0	0	111.4	Q443 F469 K470	Q443-P467 WeakPolarHBondContact O-CA 3.46Å; P467-F469 HydrophobicContact CB-CD1 3.64Å; P467-F469 HydrophobicContact CB-CE1 3.36Å; P467-F469 HydrophobicContact CB-CZ 4.05Å; P467-F469 HydrophobicContact CG-CE1 4.16Å; P467-F469 PolarHBondContact O-N 2.81Å; P467-K470 HydrophobicContact CG-CD 4.49Å; P467-K470 PolarHBondContact O-N 3.09Å
468	Y	88.6	Confident	86.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.9	-171.8	-65.2	-51.1	0	0	0	114	T441 Q443 A444 V445 L471 L511 S514 I515 H518	T441-Y468 PolarHBondContact O-OH 3.05Å; Q443-Y468 WeakPolarHBondContact O-CD2 3.2Å; Q443-Y468 PolarHBondContact O-N 3.21Å; A444-Y468 PolarHBondContact O-OH 2.99Å; V445-Y468 HydrophobicContact CB-CE1 4.05Å; V445-Y468 HydrophobicContact CG1-CE1 4.34Å; Y468-L471 HydrophobicContact CD1-CD1 4.11Å; Y468-L511 HydrophobicContact CE1-CD2 4.09Å; Y468-S514 WeakPolarHBondContact OH-CB 3.27Å; Y468-S514 PolarHBondContact OH-OG 2.98Å; Y468-I515 HydrophobicContact CD1-CD1 4.3Å; Y468-I515 HydrophobicContact CD1-CG1 3.68Å; Y468-I515 HydrophobicContact CD2-CG1 4.35Å; Y468-I515 HydrophobicContact CE1-CG1 3.98Å; Y468-I515 HydrophobicContact CG-CG1 3.9Å; Y468-H518 HydrophobicContact CD2-CB 3.99Å
469	F	83	Confident	87.6	Confident	100 Å²	100	35.4 Å²	35.4	44%	0.439	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.1	175.6	71.6	-95.5	0	0	0	114.8	P467	P467-F469 HydrophobicContact CB-CD1 3.64Å; P467-F469 HydrophobicContact CB-CE1 3.36Å; P467-F469 HydrophobicContact CB-CZ 4.05Å; P467-F469 HydrophobicContact CG-CE1 4.16Å; P467-F469 PolarHBondContact O-N 2.81Å
470	K	85.7	Confident	88.3	Confident	111 Å²	111	35.3 Å²	35.3	48%	0.483	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.1	176.6	-63	-168.7	-174.1	173	0	113.2	P467 L487 A488	P467-K470 HydrophobicContact CG-CD 4.49Å; P467-K470 PolarHBondContact O-N 3.09Å; K470-L487 HydrophobicContact CB-CD2 4.36Å; K470-A488 PolarHBondContact O-N 3.12Å
471	L	87.2	Confident	88.6	Confident	8 Å²	8	34.8 Å²	34.8	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.4	174.1	-61	174.6	0	0	0	109.8	V445 A466 Y468 I474 F485 N486 L487 P526	V445-L471 HydrophobicContact CG1-CD1 4.08Å; A466-L471 HydrophobicContact CB-CD2 3.87Å; A466-L471 HydrophobicContact CB-CG 4.43Å; Y468-L471 HydrophobicContact CD1-CD1 4.11Å; L471-I474 HydrophobicContact CD1-CD1 4.09Å; L471-I474 HydrophobicContact CD1-CG1 4.26Å; L471-F485 HydrophobicContact CD1-CD1 4.24Å; L471-F485 HydrophobicContact CD2-CB 4.03Å; L471-F485 HydrophobicContact CD2-CD1 4.26Å; L471-N486 CarbonylContact C-O 3.49Å; L471-N486 WeakPolarHBondContact CA-O 3.19Å; L471-L487 HydrophobicContact CD2-CD2 4.26Å; L471-P526 HydrophobicContact CB-CB 3.81Å; L471-P526 HydrophobicContact CB-CG 4.39Å
472	S	84.9	Confident	88.9	Confident	45 Å²	45	32.4 Å²	32.4	32%	0.315	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-51.5	167.9	49.4	0	0	0	0	110.2	N486 L527	S472-N486 PolarHBondContact N-O 2.78Å; S472-N486 WeakPolarHBondContact OG-CB 3.33Å; S472-N486 PolarHBondContact OG-O 2.95Å; S472-L527 PolarHBondContact O-N 2.72Å
473	D	86.3	Confident	89.1	Confident	28 Å²	28	26.7 Å²	26.7	15%	0.15	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	156.7	-172.6	61.7	-76	0	0	0	110.8	N486 L527 L529	D473-N486 PolarHBondContact O-N 3.41Å; D473-N486 WeakPolarHBondContact OD1-CB 3.5Å; D473-N486 PolarHBondContact OD2-ND2 3.02Å; D473-L527 CarbonylContact C-O 3.26Å; D473-L527 WeakPolarHBondContact CA-O 3.46Å; D473-L527 HydrophobicContact CB-CB 4.41Å; D473-L527 VanDerWaalsContact CB-O 3.3Å; D473-L527 WeakPolarHBondContact CB-O 3.07Å; D473-L529 HydrophobicContact CB-CD1 3.78Å; D473-L529 HydrophobicContact CB-CG 4.17Å
474	I	90.2	Very high	89.3	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.1	172.2	-57.7	175.2	0	0	0	105.5	L471 I483 T484 F485 L508 L511 I515 L527 L528 L529	L471-I474 HydrophobicContact CD1-CD1 4.09Å; L471-I474 HydrophobicContact CD1-CG1 4.26Å; I474-I483 HydrophobicContact CG2-CG2 3.59Å; I474-T484 CarbonylContact C-O 3.51Å; I474-T484 WeakPolarHBondContact CA-O 3.48Å; I474-F485 HydrophobicContact CD1-CD1 4.18Å; I474-F485 HydrophobicContact CD1-CE1 4.04Å; I474-F485 HydrophobicContact CG1-CD1 4.03Å; I474-F485 HydrophobicContact CG1-CE1 4.32Å; I474-F485 HydrophobicContact CG2-CD1 4.38Å; I474-F485 HydrophobicContact CG2-CE1 4.27Å; I474-L508 HydrophobicContact CG2-CD2 4.32Å; I474-L511 HydrophobicContact CD1-CD1 4.4Å; I474-I515 HydrophobicContact CD1-CD1 3.78Å; I474-L527 PolarHBondContact N-O 2.8Å; I474-L528 HydrophobicContact CB-CD1 4.25Å; I474-L528 HydrophobicContact CG2-CD1 4.27Å; I474-L529 PolarHBondContact O-N 3.29Å
475	S	89.9	Confident	89.3	Confident	25 Å²	25	23.4 Å²	23.4	18%	0.175	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	147.1	-178.3	70.8	0	0	0	0	112.5	I483 T484 L529	S475-I483 CarbonylContact O-C 3.45Å; S475-I483 WeakPolarHBondContact O-CA 3.36Å; S475-T484 PolarHBondContact N-O 3.04Å; S475-T484 PolarHBondContact O-N 2.81Å; S475-T484 WeakPolarHBondContact OG-CB 3.45Å; S475-L529 CarbonylContact C-O 3.49Å; S475-L529 VanDerWaalsContact CA-O 3.24Å; S475-L529 WeakPolarHBondContact CA-O 3.47Å
476	V	92	Very high	89.2	Confident	8 Å²	8	23.7 Å²	23.7	5%	0.048	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.6	178.4	-172.8	0	0	0	0	110.3	T504 L508 L528 L529 K530	V476-T504 HydrophobicContact CG1-CG2 4.07Å; V476-L508 HydrophobicContact CG2-CD1 3.68Å; V476-L508 HydrophobicContact CG2-CD2 4.33Å; V476-L528 HydrophobicContact CG2-CD1 4.34Å; V476-L529 PolarHBondContact N-O 2.78Å; V476-L529 VanDerWaalsContact N-O 3.08Å; V476-K530 HydrophobicContact CG2-CG 4.38Å
477	G	89.9	Confident	89	Confident	9 Å²	9	26.1 Å²	26.1	9%	0.093	15%	0.15	C	C	.	.			trans	-72.2	177.7	-179.2	0	0	0	0	0	114.7	S480 T482	G477-S480 PolarHBondContact O-N 2.91Å; G477-T482 WeakPolarHBondContact CA-OG1 3.4Å; G477-T482 PolarHBondContact N-O 2.8Å
478	L	90.8	Very high	88.5	Confident	8 Å²	8	28.5 Å²	28.5	4%	0.042	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-56.3	146.3	174.1	-70.1	170.6	0	0	0	111.3	S480 Q481 Q535 R536 M539 Y557	L478-S480 PolarHBondContact O-N 3.22Å; L478-Q481 WeakPolarHBondContact O-CB 3.45Å; L478-Q481 WeakPolarHBondContact O-CG 3.3Å; L478-Q481 PolarHBondContact O-N 2.7Å; L478-Q535 HydrophobicContact CD1-CB 4.27Å; L478-Q535 HydrophobicContact CD1-CG 3.99Å; L478-Q535 HydrophobicContact CG-CB 4.28Å; L478-Q535 HydrophobicContact CG-CG 4.33Å; L478-R536 HydrophobicContact CD2-CB 3.97Å; L478-R536 HydrophobicContact CD2-CG 4.09Å; L478-M539 HydrophobicContact CD1-CB 4.36Å; L478-M539 HydrophobicContact CD1-CG 3.69Å; L478-Y557 HydrophobicContact CB-CD1 3.49Å; L478-Y557 VanDerWaalsContact CB-CD1 3.49Å; L478-Y557 HydrophobicContact CB-CD2 4.06Å; L478-Y557 HydrophobicContact CB-CE1 4.09Å; L478-Y557 HydrophobicContact CB-CG 3.49Å; L478-Y557 VanDerWaalsContact CB-CG 3.49Å; L478-Y557 HydrophobicContact CD1-CD2 3.89Å; L478-Y557 HydrophobicContact CD1-CE2 4.34Å; L478-Y557 HydrophobicContact CD1-CG 4.15Å; L478-Y557 HydrophobicContact CG-CG 4.48Å; L478-Y557 WeakPolarHBondContact O-CD1 3.44Å
479	G	89.2	Confident	87.4	Confident	37 Å²	37	37.7 Å²	37.7	38%	0.381	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	58.8	9.9	-178.1	0	0	0	0	0	115.3	Q481	G479-Q481 PolarHBondContact O-N 2.79Å; G479-Q481 PolarHBondContact O-NE2 2.85Å
480	S	91.9	Very high	86.3	Confident	28 Å²	28	35.4 Å²	35.4	20%	0.196	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	54.8	33.3	-166.4	-50.6	0	0	0	0	113.4	G477 L478 T498 H501 T504	G477-S480 PolarHBondContact O-N 2.91Å; L478-S480 PolarHBondContact O-N 3.22Å; S480-T498 PolarHBondContact O-OG1 2.66Å; S480-H501 VanDerWaalsContact CB-ND1 3.25Å; S480-H501 WeakPolarHBondContact CB-ND1 3.3Å; S480-H501 PolarHBondContact OG-ND1 3.29Å; S480-T504 VanDerWaalsContact O-CB 3.22Å; S480-T504 WeakPolarHBondContact O-CB 3.15Å; S480-T504 PolarHBondContact O-OG1 2.72Å
481	Q	92.5	Very high	84.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.241	C	C	.	.			trans	-86	-21.6	-176.3	-60.6	-67.3	-67.5	0	0	113.7	L478 G479 T498 C499 Y557 L559 E764	L478-Q481 WeakPolarHBondContact O-CB 3.45Å; L478-Q481 WeakPolarHBondContact O-CG 3.3Å; L478-Q481 PolarHBondContact O-N 2.7Å; G479-Q481 PolarHBondContact O-N 2.79Å; G479-Q481 PolarHBondContact O-NE2 2.85Å; Q481-T498 PolarHBondContact O-N 2.99Å; Q481-T498 PolarHBondContact O-OG1 3.36Å; Q481-C499 PolarHBondContact O-N 2.89Å; Q481-C499 PolarHBondContact OE1-O 3.26Å; Q481-Y557 HydrophobicContact CB-CD1 4.29Å; Q481-Y557 HydrophobicContact CB-CE1 3.97Å; Q481-Y557 HydrophobicContact CG-CD1 3.76Å; Q481-Y557 HydrophobicContact CG-CE1 3.9Å; Q481-L559 HydrophobicContact CB-CD1 4.06Å; Q481-L559 HydrophobicContact CB-CG 4.04Å; Q481-E764 PolarHBondContact NE2-OE2 2.91Å
482	T	92.1	Very high	83.8	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.8	-179.9	66.1	0	0	0	0	111.7	G477 V495 V496 C497 L559	G477-T482 WeakPolarHBondContact CA-OG1 3.4Å; G477-T482 PolarHBondContact N-O 2.8Å; T482-V495 HydrophobicContact CG2-CG1 4.39Å; T482-V496 CarbonylContact C-O 3.52Å; T482-V496 VanDerWaalsContact CA-O 3.24Å; T482-V496 WeakPolarHBondContact CA-O 3.3Å; T482-C497 HydrophobicContact CG2-CB 4.24Å; T482-C497 VanDerWaalsContact CG2-SG 3.6Å; T482-L559 HydrophobicContact CG2-CD1 3.87Å
483	I	92.7	Very high	83.4	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.2	169.8	-58.9	172.2	0	0	0	107	I474 S475 F485 V496 T498 T504 I507 L508	I474-I483 HydrophobicContact CG2-CG2 3.59Å; S475-I483 CarbonylContact O-C 3.45Å; S475-I483 WeakPolarHBondContact O-CA 3.36Å; I483-F485 HydrophobicContact CG2-CD2 4.48Å; I483-F485 HydrophobicContact CG2-CE2 3.96Å; I483-F485 HydrophobicContact CG2-CZ 4.08Å; I483-V496 HydrophobicContact CB-CB 4.38Å; I483-V496 PolarHBondContact N-O 2.92Å; I483-V496 PolarHBondContact O-N 3.29Å; I483-T498 HydrophobicContact CD1-CG2 4.33Å; I483-T504 HydrophobicContact CD1-CG2 4.12Å; I483-T504 HydrophobicContact CG1-CG2 4.06Å; I483-I507 HydrophobicContact CD1-CB 3.93Å; I483-I507 HydrophobicContact CD1-CD1 4.39Å; I483-I507 HydrophobicContact CD1-CG2 3.51Å; I483-L508 HydrophobicContact CD1-CD2 4.15Å; I483-L508 HydrophobicContact CD1-CG 4.08Å
484	T	90.8	Very high	83.5	Confident	25 Å²	25	42 Å²	42	15%	0.153	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.1	174.5	-45	0	0	0	0	110.1	I474 S475 Y494 V495	I474-T484 CarbonylContact C-O 3.51Å; I474-T484 WeakPolarHBondContact CA-O 3.48Å; S475-T484 PolarHBondContact N-O 3.04Å; S475-T484 PolarHBondContact O-N 2.81Å; S475-T484 WeakPolarHBondContact OG-CB 3.45Å; T484-Y494 WeakPolarHBondContact CA-O 3.5Å; T484-V495 HydrophobicContact CG2-CG2 3.95Å
485	F	91.1	Very high	83.5	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.1	173.3	-64	-88.6	0	0	0	109	L438 V445 F464 L471 I474 I483 G493 Y494 V496 L511	L438-F485 HydrophobicContact CD1-CE2 3.98Å; L438-F485 HydrophobicContact CD1-CZ 4.09Å; L438-F485 HydrophobicContact CD2-CZ 4.21Å; V445-F485 HydrophobicContact CB-CE1 4.45Å; V445-F485 HydrophobicContact CG1-CD1 3.99Å; V445-F485 HydrophobicContact CG1-CE1 4.05Å; V445-F485 HydrophobicContact CG2-CE1 3.99Å; V445-F485 HydrophobicContact CG2-CZ 3.99Å; F464-F485 HydrophobicContact CE1-CB 4.22Å; F464-F485 HydrophobicContact CZ-CB 4.21Å; L471-F485 HydrophobicContact CD1-CD1 4.24Å; L471-F485 HydrophobicContact CD2-CB 4.03Å; L471-F485 HydrophobicContact CD2-CD1 4.26Å; I474-F485 HydrophobicContact CD1-CD1 4.18Å; I474-F485 HydrophobicContact CD1-CE1 4.04Å; I474-F485 HydrophobicContact CG1-CD1 4.03Å; I474-F485 HydrophobicContact CG1-CE1 4.32Å; I474-F485 HydrophobicContact CG2-CD1 4.38Å; I474-F485 HydrophobicContact CG2-CE1 4.27Å; I483-F485 HydrophobicContact CG2-CD2 4.48Å; I483-F485 HydrophobicContact CG2-CE2 3.96Å; I483-F485 HydrophobicContact CG2-CZ 4.08Å; F485-G493 CarbonylContact O-C 3.57Å; F485-G493 WeakPolarHBondContact O-CA 3.43Å; F485-Y494 PolarHBondContact N-O 3.02Å; F485-Y494 PolarHBondContact O-N 3.19Å; F485-V496 HydrophobicContact CD2-CG2 4.19Å; F485-V496 HydrophobicContact CE2-CB 4.43Å; F485-V496 HydrophobicContact CE2-CG2 3.76Å; F485-L511 HydrophobicContact CE1-CD1 3.87Å; F485-L511 HydrophobicContact CE1-CD2 4.01Å; F485-L511 HydrophobicContact CZ-CD1 3.86Å; F485-L511 HydrophobicContact CZ-CD2 4.44Å
486	N	87.2	Confident	83.5	Confident	41 Å²	41	42.8 Å²	42.8	22%	0.219	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.7	-179.8	-64.9	-46.9	0	0	0	110.6	L471 S472 D473	L471-N486 CarbonylContact C-O 3.49Å; L471-N486 WeakPolarHBondContact CA-O 3.19Å; S472-N486 PolarHBondContact N-O 2.78Å; S472-N486 WeakPolarHBondContact OG-CB 3.33Å; S472-N486 PolarHBondContact OG-O 2.95Å; D473-N486 PolarHBondContact O-N 3.41Å; D473-N486 WeakPolarHBondContact OD1-CB 3.5Å; D473-N486 PolarHBondContact OD2-ND2 3.02Å
487	L	85.6	Confident	83.5	Confident	53 Å²	53	42.4 Å²	42.4	28%	0.277	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	137.5	177.9	-68.2	178.5	0	0	0	111.4	F464 A466 K470 L471 Q489 G492	F464-L487 HydrophobicContact CE2-CD1 4.27Å; F464-L487 HydrophobicContact CE2-CG 4.46Å; F464-L487 HydrophobicContact CZ-CD2 4.35Å; A466-L487 HydrophobicContact CB-CD2 3.82Å; K470-L487 HydrophobicContact CB-CD2 4.36Å; L471-L487 HydrophobicContact CD2-CD2 4.26Å; L487-Q489 PolarHBondContact O-N 3.4Å; L487-G492 WeakPolarHBondContact CD1-O 3.41Å; L487-G492 WeakPolarHBondContact CG-O 3.47Å
488	A	77.4	Confident	83.6	Confident	63 Å²	63	42 Å²	42	52%	0.521	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.3	179.7	0	0	0	0	0	114.3	K470	K470-A488 PolarHBondContact O-N 3.12Å
489	Q	64.9	Low	83.5	Confident	193 Å²	193	41.7 Å²	41.7	90%	0.902	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141	64.7	-177.1	-67.4	-174.3	-15.8	0	0	111.6	L487	L487-Q489 PolarHBondContact O-N 3.4Å
490	G	59.7	Low	83.6	Confident	52 Å²	52	40 Å²	40	54%	0.536	24%	0.241	S	C	.	.	S	Bend	trans	172.8	154.5	169.1	0	0	0	0	0	114.8	G492	G490-G492 VanDerWaalsContact C-N 3.3Å; G490-G492 PolarHBondContact O-N 3.21Å; G490-G492 VanDerWaalsContact O-N 3.12Å
491	K	56.1	Low	83.5	Confident	221 Å²	221	42.9 Å²	42.9	96%	0.961	25%	0.251	S	S	*	.	S	Bend	trans	-76.6	85.1	159.2	-75.5	-179.6	-179.5	171.4	0	107.8
492	G	64.1	Low	83.4	Confident	40 Å²	40	46.9 Å²	46.9	41%	0.412	27%	0.269	S	S	.	.			trans	-179.3	94.6	-179	0	0	0	0	0	111.2	L487 G490	L487-G492 WeakPolarHBondContact CD1-O 3.41Å; L487-G492 WeakPolarHBondContact CG-O 3.47Å; G490-G492 VanDerWaalsContact C-N 3.3Å; G490-G492 PolarHBondContact O-N 3.21Å; G490-G492 VanDerWaalsContact O-N 3.12Å
493	G	78	Confident	83.3	Confident	41 Å²	41	47 Å²	47	42%	0.423	27%	0.27	S	S	.	.			trans	-111.4	150.2	165.7	0	0	0	0	0	109.9	F485	F485-G493 CarbonylContact O-C 3.57Å; F485-G493 WeakPolarHBondContact O-CA 3.43Å
494	Y	87.7	Confident	83.3	Confident	28 Å²	28	47.1 Å²	47.1	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.5	178.3	-162.1	-77.9	0	0	0	110.7	F424 H426 V447 D463 F464 T484 F485 V496	F424-Y494 HydrophobicContact CE2-CE1 4.16Å; F424-Y494 AromaticContact CZ-CE1 3.95Å; F424-Y494 HydrophobicContact CZ-CE1 3.95Å; H426-Y494 PolarHBondContact CE1-OH 3.31Å; H426-Y494 AromaticContact ND1-CZ 3.93Å; H426-Y494 PolarHBondContact ND1-OH 3.44Å; V447-Y494 HydrophobicContact CB-CE1 4.31Å; V447-Y494 HydrophobicContact CG1-CE1 4.07Å; V447-Y494 HydrophobicContact CG2-CD1 3.82Å; V447-Y494 HydrophobicContact CG2-CE1 3.76Å; V447-Y494 HydrophobicContact CG2-CG 4.32Å; D463-Y494 HydrophobicContact CB-CE2 4.4Å; F464-Y494 HydrophobicContact CB-CD2 3.57Å; F464-Y494 HydrophobicContact CB-CE2 4.08Å; F464-Y494 HydrophobicContact CB-CG 4.05Å; F464-Y494 HydrophobicContact CD1-CG 4.46Å; F464-Y494 HydrophobicContact CD2-CD2 4.19Å; F464-Y494 HydrophobicContact CD2-CG 4.36Å; F464-Y494 AromaticContact CG-CD2 3.97Å; F464-Y494 HydrophobicContact CG-CD2 3.97Å; F464-Y494 HydrophobicContact CG-CG 4.07Å; T484-Y494 WeakPolarHBondContact CA-O 3.5Å; F485-Y494 PolarHBondContact N-O 3.02Å; F485-Y494 PolarHBondContact O-N 3.19Å; Y494-V496 HydrophobicContact CD1-CG2 3.97Å; Y494-V496 HydrophobicContact CE1-CG2 4.25Å
495	V	89.1	Confident	83.4	Confident	45 Å²	45	54.1 Å²	54.1	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.2	179.2	-174.7	0	0	0	0	110.2	T482 T484	T482-V495 HydrophobicContact CG2-CG1 4.39Å; T484-V495 HydrophobicContact CG2-CG2 3.95Å
496	V	91.6	Very high	83.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.7	178.4	166.6	0	0	0	0	108.2	F424 L438 V447 T482 I483 F485 Y494 T498	F424-V496 HydrophobicContact CB-CG1 4.03Å; F424-V496 HydrophobicContact CD1-CG1 4.1Å; F424-V496 HydrophobicContact CD2-CB 4.06Å; F424-V496 HydrophobicContact CD2-CG1 3.58Å; F424-V496 HydrophobicContact CD2-CG2 4.27Å; F424-V496 HydrophobicContact CE1-CG1 4.45Å; F424-V496 HydrophobicContact CE1-CG2 4.25Å; F424-V496 HydrophobicContact CE2-CB 4.03Å; F424-V496 HydrophobicContact CE2-CG1 4.01Å; F424-V496 HydrophobicContact CE2-CG2 3.81Å; F424-V496 HydrophobicContact CG-CG1 3.65Å; F424-V496 HydrophobicContact CZ-CB 4.46Å; F424-V496 HydrophobicContact CZ-CG1 4.4Å; F424-V496 HydrophobicContact CZ-CG2 3.78Å; L438-V496 HydrophobicContact CD1-CG2 4.23Å; V447-V496 HydrophobicContact CG2-CG2 4.47Å; T482-V496 CarbonylContact C-O 3.52Å; T482-V496 VanDerWaalsContact CA-O 3.24Å; T482-V496 WeakPolarHBondContact CA-O 3.3Å; I483-V496 HydrophobicContact CB-CB 4.38Å; I483-V496 PolarHBondContact N-O 2.92Å; I483-V496 PolarHBondContact O-N 3.29Å; F485-V496 HydrophobicContact CD2-CG2 4.19Å; F485-V496 HydrophobicContact CE2-CB 4.43Å; F485-V496 HydrophobicContact CE2-CG2 3.76Å; Y494-V496 HydrophobicContact CD1-CG2 3.97Å; Y494-V496 HydrophobicContact CE1-CG2 4.25Å; V496-T498 HydrophobicContact CG1-CG2 4.18Å
497	C	91.1	Very high	83.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.8	-179.9	-55.7	0	0	0	0	109.9	Y425 H428 Q429 T482 L559	Y425-C497 PolarHBondContact N-O 2.77Å; Y425-C497 WeakPolarHBondContact O-CA 3.49Å; Y425-C497 WeakPolarHBondContact O-CB 3.42Å; Y425-C497 PolarHBondContact O-N 2.84Å; Y425-C497 VanDerWaalsContact O-N 3.09Å; H428-C497 HydrophobicContact CB-CB 4.17Å; Q429-C497 PolarHBondContact OE1-SG 2.89Å; T482-C497 HydrophobicContact CG2-CB 4.24Å; T482-C497 VanDerWaalsContact CG2-SG 3.6Å; C497-L559 HydrophobicContact CB-CD1 3.8Å
498	T	91.3	Very high	84	Confident	2 Å²	2	51 Å²	51	1%	0.012	28%	0.278	C	S	.	.			trans	-90.1	-26.5	-177.4	61.5	0	0	0	0	111.8	S480 Q481 I483 V496 S500 L503 T504 I507	S480-T498 PolarHBondContact O-OG1 2.66Å; Q481-T498 PolarHBondContact O-N 2.99Å; Q481-T498 PolarHBondContact O-OG1 3.36Å; I483-T498 HydrophobicContact CD1-CG2 4.33Å; V496-T498 HydrophobicContact CG1-CG2 4.18Å; T498-S500 PolarHBondContact O-N 3.48Å; T498-S500 PolarHBondContact OG1-O 2.69Å; T498-L503 HydrophobicContact CG2-CD2 4.19Å; T498-L503 HydrophobicContact CG2-CG 3.94Å; T498-T504 WeakPolarHBondContact CB-OG1 3.3Å; T498-T504 WeakPolarHBondContact CG2-OG1 3.42Å; T498-T504 PolarHBondContact OG1-OG1 3.33Å; T498-I507 HydrophobicContact CG2-CD1 3.81Å
499	C	90.3	Very high	84.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	56.1	11	-177.1	-49.7	0	0	0	0	114.2	Q481 L559 A760 W801	Q481-C499 PolarHBondContact O-N 2.89Å; Q481-C499 PolarHBondContact OE1-O 3.26Å; C499-L559 HydrophobicContact CB-CB 4.07Å; C499-L559 VanDerWaalsContact SG-CB 3.55Å; C499-A760 HydrophobicContact CB-CB 3.8Å; C499-A760 WeakPolarHBondContact O-CB 3.4Å; C499-W801 HydrophobicContact CB-CH2 3.88Å; C499-W801 HydrophobicContact CB-CZ3 3.71Å
500	S	90.6	Very high	85.9	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-149.6	122.9	-174.4	165.4	0	0	0	0	109.3	D393 T498 Q502 L503 T504	D393-S500 PolarHBondContact OD2-OG 3.15Å; T498-S500 PolarHBondContact O-N 3.48Å; T498-S500 PolarHBondContact OG1-O 2.69Å; S500-Q502 PolarHBondContact O-N 2.8Å; S500-Q502 PolarHBondContact OG-N 3.35Å; S500-L503 PolarHBondContact O-N 2.96Å; S500-L503 PolarHBondContact OG-N 3.44Å; S500-T504 PolarHBondContact O-N 3.02Å
501	H	90.5	Very high	87.4	Confident	88 Å²	88	39.1 Å²	39.1	41%	0.407	20%	0.204	S	C	.	.	H	α-helix	trans	-59.1	-26.9	172.1	176	90	0	0	0	111.9	S480 R505 E764	S480-H501 VanDerWaalsContact CB-ND1 3.25Å; S480-H501 WeakPolarHBondContact CB-ND1 3.3Å; S480-H501 PolarHBondContact OG-ND1 3.29Å; H501-R505 VanDerWaalsContact O-CB 3.28Å; H501-R505 WeakPolarHBondContact O-CB 3.31Å; H501-R505 PolarHBondContact O-N 3.33Å; H501-E764 VanDerWaalsContact CB-OE1 3.27Å; H501-E764 WeakPolarHBondContact CB-OE1 3.4Å; H501-E764 PolarHBondContact N-OE1 2.95Å
502	Q	89.7	Confident	89	Confident	84 Å²	84	31.4 Å²	31.4	39%	0.393	17%	0.172	S	C	.	.	H	α-helix	trans	-76.1	-48.2	179.7	-59.4	-162.4	13.8	0	0	112	D393 S500 T504 R505 A506 Q763	D393-Q502 HydrophobicContact CB-CB 4.13Å; S500-Q502 PolarHBondContact O-N 2.8Å; S500-Q502 PolarHBondContact OG-N 3.35Å; Q502-T504 VanDerWaalsContact C-N 3.34Å; Q502-T504 PolarHBondContact O-N 2.77Å; Q502-R505 PolarHBondContact O-N 3.13Å; Q502-R505 VanDerWaalsContact O-N 3.1Å; Q502-A506 PolarHBondContact O-N 3.2Å; Q502-Q763 VanDerWaalsContact NE2-NE2 3.14Å
503	L	90.4	Very high	90.1	Very high	8 Å²	8	32 Å²	32	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-44.4	172.1	172.5	57.7	0	0	0	111.4	D393 F422 R423 T498 S500 R505 A506 I507	D393-L503 WeakPolarHBondContact O-CD1 3.43Å; D393-L503 PolarHBondContact OD2-N 3.37Å; F422-L503 HydrophobicContact CB-CD1 4.21Å; F422-L503 HydrophobicContact CD1-CD1 3.94Å; F422-L503 HydrophobicContact CG-CD1 4.44Å; R423-L503 WeakPolarHBondContact O-CD2 3.5Å; T498-L503 HydrophobicContact CG2-CD2 4.19Å; T498-L503 HydrophobicContact CG2-CG 3.94Å; S500-L503 PolarHBondContact O-N 2.96Å; S500-L503 PolarHBondContact OG-N 3.44Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 2.86Å; L503-A506 PolarHBondContact O-N 3.09Å; L503-I507 HydrophobicContact CD1-CD1 3.58Å; L503-I507 HydrophobicContact CD1-CG1 3.92Å; L503-I507 HydrophobicContact CG-CD1 3.87Å; L503-I507 WeakPolarHBondContact O-CB 3.13Å; L503-I507 WeakPolarHBondContact O-CG1 3.35Å; L503-I507 PolarHBondContact O-N 3.41Å
504	T	92.6	Very high	90.5	Very high	2 Å²	2	30 Å²	30	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-56.9	-45.9	172.3	-74.5	0	0	0	0	111.8	V476 S480 I483 T498 S500 Q502 A506 L508	V476-T504 HydrophobicContact CG1-CG2 4.07Å; S480-T504 VanDerWaalsContact O-CB 3.22Å; S480-T504 WeakPolarHBondContact O-CB 3.15Å; S480-T504 PolarHBondContact O-OG1 2.72Å; I483-T504 HydrophobicContact CD1-CG2 4.12Å; I483-T504 HydrophobicContact CG1-CG2 4.06Å; T498-T504 WeakPolarHBondContact CB-OG1 3.3Å; T498-T504 WeakPolarHBondContact CG2-OG1 3.42Å; T498-T504 PolarHBondContact OG1-OG1 3.33Å; S500-T504 PolarHBondContact O-N 3.02Å; Q502-T504 VanDerWaalsContact C-N 3.34Å; Q502-T504 PolarHBondContact O-N 2.77Å; T504-A506 PolarHBondContact O-N 2.82Å; T504-L508 HydrophobicContact CG2-CD1 3.65Å; T504-L508 HydrophobicContact CG2-CG 4.22Å; T504-L508 WeakPolarHBondContact O-CB 3.39Å; T504-L508 WeakPolarHBondContact O-CG 3.2Å; T504-L508 PolarHBondContact O-N 3.39Å
505	R	91.9	Very high	90.4	Very high	173 Å²	173	29.1 Å²	29.1	65%	0.653	14%	0.144	S	C	*	.	H	α-helix	trans	-64.8	-38.4	179	178.8	177.9	165.4	-169.2	-8.3	112.4	H501 Q502 L503 S509	H501-R505 VanDerWaalsContact O-CB 3.28Å; H501-R505 WeakPolarHBondContact O-CB 3.31Å; H501-R505 PolarHBondContact O-N 3.33Å; Q502-R505 PolarHBondContact O-N 3.13Å; Q502-R505 VanDerWaalsContact O-N 3.1Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 2.86Å; R505-S509 WeakPolarHBondContact O-CB 3.23Å; R505-S509 PolarHBondContact O-N 2.94Å; R505-S509 PolarHBondContact O-OG 2.91Å
506	A	91.4	Very high	90.1	Very high	5 Å²	5	34 Å²	34	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-53.4	176.3	0	0	0	0	0	110.9	E392 F422 Q502 L503 T504 L508 S509 A510	E392-A506 HydrophobicContact CB-CB 3.78Å; E392-A506 HydrophobicContact CG-CB 4.4Å; F422-A506 HydrophobicContact CE1-CB 3.87Å; F422-A506 HydrophobicContact CZ-CB 4.39Å; Q502-A506 PolarHBondContact O-N 3.2Å; L503-A506 PolarHBondContact O-N 3.09Å; T504-A506 PolarHBondContact O-N 2.82Å; A506-L508 VanDerWaalsContact C-N 3.34Å; A506-L508 PolarHBondContact O-N 2.99Å; A506-S509 PolarHBondContact O-N 3.11Å; A506-S509 VanDerWaalsContact O-N 3.07Å; A506-A510 PolarHBondContact O-N 3.12Å
507	I	92.8	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-53.7	-48.8	175.8	-71.1	166.8	0	0	0	111.1	F422 L438 I483 T498 L503 S509 A510 L511	F422-I507 HydrophobicContact CB-CD1 4.06Å; F422-I507 HydrophobicContact CB-CG1 3.81Å; F422-I507 HydrophobicContact CD1-CG1 3.89Å; F422-I507 HydrophobicContact CD2-CG1 3.75Å; F422-I507 HydrophobicContact CE1-CG1 4.37Å; F422-I507 HydrophobicContact CE2-CG1 4.24Å; F422-I507 HydrophobicContact CG-CD1 4.33Å; F422-I507 HydrophobicContact CG-CG1 3.55Å; L438-I507 HydrophobicContact CD2-CB 4.47Å; L438-I507 HydrophobicContact CD2-CD1 4.1Å; L438-I507 HydrophobicContact CD2-CG1 4.17Å; L438-I507 HydrophobicContact CD2-CG2 3.47Å; L438-I507 VanDerWaalsContact CD2-CG2 3.47Å; I483-I507 HydrophobicContact CD1-CB 3.93Å; I483-I507 HydrophobicContact CD1-CD1 4.39Å; I483-I507 HydrophobicContact CD1-CG2 3.51Å; T498-I507 HydrophobicContact CG2-CD1 3.81Å; L503-I507 HydrophobicContact CD1-CD1 3.58Å; L503-I507 HydrophobicContact CD1-CG1 3.92Å; L503-I507 HydrophobicContact CG-CD1 3.87Å; L503-I507 WeakPolarHBondContact O-CB 3.13Å; L503-I507 WeakPolarHBondContact O-CG1 3.35Å; L503-I507 PolarHBondContact O-N 3.41Å; I507-S509 VanDerWaalsContact C-N 3.32Å; I507-S509 PolarHBondContact O-N 2.82Å; I507-A510 PolarHBondContact O-N 3.35Å; I507-L511 HydrophobicContact CG2-CD1 3.63Å; I507-L511 HydrophobicContact CG2-CG 4.26Å; I507-L511 VanDerWaalsContact O-CB 3.3Å; I507-L511 WeakPolarHBondContact O-CB 3.47Å; I507-L511 WeakPolarHBondContact O-CG 3.43Å; I507-L511 PolarHBondContact O-N 3.44Å
508	L	92.5	Very high	88.8	Confident	22 Å²	22	39.9 Å²	39.9	12%	0.115	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-32.4	179.8	-70.4	176.5	0	0	0	113.2	I474 V476 I483 T504 A506 L511 E512 L528	I474-L508 HydrophobicContact CG2-CD2 4.32Å; V476-L508 HydrophobicContact CG2-CD1 3.68Å; V476-L508 HydrophobicContact CG2-CD2 4.33Å; I483-L508 HydrophobicContact CD1-CD2 4.15Å; I483-L508 HydrophobicContact CD1-CG 4.08Å; T504-L508 HydrophobicContact CG2-CD1 3.65Å; T504-L508 HydrophobicContact CG2-CG 4.22Å; T504-L508 WeakPolarHBondContact O-CB 3.39Å; T504-L508 WeakPolarHBondContact O-CG 3.2Å; T504-L508 PolarHBondContact O-N 3.39Å; A506-L508 VanDerWaalsContact C-N 3.34Å; A506-L508 PolarHBondContact O-N 2.99Å; L508-L511 HydrophobicContact CD2-CD1 4.27Å; L508-E512 WeakPolarHBondContact O-CB 3.1Å; L508-E512 PolarHBondContact O-N 2.94Å; L508-L528 HydrophobicContact CD2-CD1 3.7Å
509	S	91.5	Very high	87.7	Confident	55 Å²	55	41.6 Å²	41.6	39%	0.385	19%	0.19	S	C	.	.	H	α-helix	trans	-71.4	-42.9	176.3	-57.3	0	0	0	0	111.1	R505 A506 I507 E512 V513	R505-S509 WeakPolarHBondContact O-CB 3.23Å; R505-S509 PolarHBondContact O-N 2.94Å; R505-S509 PolarHBondContact O-OG 2.91Å; A506-S509 PolarHBondContact O-N 3.11Å; A506-S509 VanDerWaalsContact O-N 3.07Å; I507-S509 VanDerWaalsContact C-N 3.32Å; I507-S509 PolarHBondContact O-N 2.82Å; S509-E512 PolarHBondContact O-N 2.71Å; S509-V513 WeakPolarHBondContact O-CG2 3.2Å; S509-V513 PolarHBondContact O-N 3.35Å; S509-V513 VanDerWaalsContact O-N 3.12Å
510	A	91.8	Very high	86.3	Confident	2 Å²	2	45.8 Å²	45.8	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-43.8	175.4	0	0	0	0	0	112.2	Y419 K420 F422 L440 A506 I507 E512 V513 S514	Y419-A510 HydrophobicContact CE1-CB 4.05Å; K420-A510 HydrophobicContact CD-CB 4.06Å; F422-A510 HydrophobicContact CE2-CB 3.69Å; F422-A510 HydrophobicContact CZ-CB 3.82Å; L440-A510 HydrophobicContact CD1-CB 3.63Å; A506-A510 PolarHBondContact O-N 3.12Å; I507-A510 PolarHBondContact O-N 3.35Å; A510-E512 VanDerWaalsContact C-N 3.33Å; A510-E512 PolarHBondContact O-N 2.94Å; A510-V513 PolarHBondContact O-N 3.19Å; A510-V513 VanDerWaalsContact O-N 3.11Å; A510-S514 PolarHBondContact O-N 2.88Å
511	L	91.1	Very high	84.8	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-56.3	-45.7	171.5	-81.7	166.6	0	0	0	111.4	L440 Y468 I474 F485 I507 L508 V513 S514 I515	L440-L511 HydrophobicContact CD1-CD2 4.25Å; L440-L511 HydrophobicContact CD1-CG 4Å; L440-L511 HydrophobicContact CD2-CD2 3.52Å; L440-L511 HydrophobicContact CD2-CG 4.03Å; Y468-L511 HydrophobicContact CE1-CD2 4.09Å; I474-L511 HydrophobicContact CD1-CD1 4.4Å; F485-L511 HydrophobicContact CE1-CD1 3.87Å; F485-L511 HydrophobicContact CE1-CD2 4.01Å; F485-L511 HydrophobicContact CZ-CD1 3.86Å; F485-L511 HydrophobicContact CZ-CD2 4.44Å; I507-L511 HydrophobicContact CG2-CD1 3.63Å; I507-L511 HydrophobicContact CG2-CG 4.26Å; I507-L511 VanDerWaalsContact O-CB 3.3Å; I507-L511 WeakPolarHBondContact O-CB 3.47Å; I507-L511 WeakPolarHBondContact O-CG 3.43Å; I507-L511 PolarHBondContact O-N 3.44Å; L508-L511 HydrophobicContact CD2-CD1 4.27Å; L511-V513 VanDerWaalsContact C-N 3.28Å; L511-V513 PolarHBondContact O-N 2.83Å; L511-S514 PolarHBondContact O-N 3.06Å; L511-I515 HydrophobicContact CB-CD1 4.25Å; L511-I515 HydrophobicContact CD2-CD1 4.42Å; L511-I515 VanDerWaalsContact O-CB 3.23Å; L511-I515 WeakPolarHBondContact O-CB 3.46Å; L511-I515 WeakPolarHBondContact O-CD1 3.45Å; L511-I515 WeakPolarHBondContact O-CG1 3.18Å; L511-I515 PolarHBondContact O-N 3.45Å
512	E	88.2	Confident	83.1	Confident	59 Å²	59	51 Å²	51	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-36.7	177	176.2	160	-137	0	0	111.9	L508 S509 A510 R516 R525	L508-E512 WeakPolarHBondContact O-CB 3.1Å; L508-E512 PolarHBondContact O-N 2.94Å; S509-E512 PolarHBondContact O-N 2.71Å; A510-E512 VanDerWaalsContact C-N 3.33Å; A510-E512 PolarHBondContact O-N 2.94Å; E512-R516 VanDerWaalsContact CD-CZ 3.43Å; E512-R516 VanDerWaalsContact CD-NE 3.26Å; E512-R516 HydrophobicContact CG-CG 4.13Å; E512-R516 WeakPolarHBondContact O-CB 3.32Å; E512-R516 WeakPolarHBondContact O-CD 3.48Å; E512-R516 WeakPolarHBondContact O-CG 3.3Å; E512-R516 PolarHBondContact O-N 3Å; E512-R516 IonicContact OE1-CZ 2.72Å; E512-R516 VanDerWaalsContact OE1-CZ 3.24Å; E512-R516 IonicContact OE1-NE 2.66Å; E512-R516 PolarHBondContact OE1-NE 3.27Å; E512-R516 IonicContact OE1-NH2 2.7Å; E512-R516 PolarHBondContact OE1-NH2 2.92Å; E512-R516 IonicContact OE2-CZ 2.78Å; E512-R516 IonicContact OE2-NE 3.99Å; E512-R516 IonicContact OE2-NH2 3.73Å; E512-R516 PolarHBondContact OE2-NH2 2.75Å; E512-R525 IonicContact OE1-CZ 2.71Å; E512-R525 IonicContact OE1-NH1 2.69Å; E512-R525 IonicContact OE1-NH2 3.2Å; E512-R525 PolarHBondContact OE1-NH2 2.87Å
513	V	87.9	Confident	81.6	Confident	52 Å²	52	50.9 Å²	50.9	32%	0.315	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-49	174.6	172.7	0	0	0	0	111.8	Y419 S509 A510 L511 R516 R517	Y419-V513 HydrophobicContact CE1-CB 4.18Å; Y419-V513 HydrophobicContact CE1-CG1 4.1Å; S509-V513 WeakPolarHBondContact O-CG2 3.2Å; S509-V513 PolarHBondContact O-N 3.35Å; S509-V513 VanDerWaalsContact O-N 3.12Å; A510-V513 PolarHBondContact O-N 3.19Å; A510-V513 VanDerWaalsContact O-N 3.11Å; L511-V513 VanDerWaalsContact C-N 3.28Å; L511-V513 PolarHBondContact O-N 2.83Å; V513-R516 PolarHBondContact O-N 3.32Å; V513-R517 WeakPolarHBondContact O-CG 3.48Å; V513-R517 PolarHBondContact O-N 2.86Å; V513-R517 VanDerWaalsContact O-N 3.07Å
514	S	87.3	Confident	80	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-48.4	177.1	-80.8	0	0	0	0	112.4	Y419 T441 Y468 A510 L511 R516 R517 H518	Y419-S514 WeakPolarHBondContact CD1-OG 3.49Å; T441-S514 VanDerWaalsContact O-CB 3.31Å; T441-S514 WeakPolarHBondContact O-CB 3.46Å; T441-S514 PolarHBondContact O-OG 3.37Å; Y468-S514 WeakPolarHBondContact OH-CB 3.27Å; Y468-S514 PolarHBondContact OH-OG 2.98Å; A510-S514 PolarHBondContact O-N 2.88Å; L511-S514 PolarHBondContact O-N 3.06Å; S514-R516 VanDerWaalsContact C-N 3.35Å; S514-R516 PolarHBondContact O-N 3.19Å; S514-R517 WeakPolarHBondContact O-CB 3.32Å; S514-R517 PolarHBondContact O-N 3.07Å; S514-R517 VanDerWaalsContact O-N 3.11Å; S514-H518 PolarHBondContact O-N 3.14Å
515	I	85.8	Confident	78.6	Confident	9 Å²	9	60.5 Å²	60.5	5%	0.046	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-40.4	-179.8	-68.9	163.1	0	0	0	110.9	Y468 I474 L511 R517 H518 T519 R525 P526	Y468-I515 HydrophobicContact CD1-CD1 4.3Å; Y468-I515 HydrophobicContact CD1-CG1 3.68Å; Y468-I515 HydrophobicContact CD2-CG1 4.35Å; Y468-I515 HydrophobicContact CE1-CG1 3.98Å; Y468-I515 HydrophobicContact CG-CG1 3.9Å; I474-I515 HydrophobicContact CD1-CD1 3.78Å; L511-I515 HydrophobicContact CB-CD1 4.25Å; L511-I515 HydrophobicContact CD2-CD1 4.42Å; L511-I515 VanDerWaalsContact O-CB 3.23Å; L511-I515 WeakPolarHBondContact O-CB 3.46Å; L511-I515 WeakPolarHBondContact O-CD1 3.45Å; L511-I515 WeakPolarHBondContact O-CG1 3.18Å; L511-I515 PolarHBondContact O-N 3.45Å; I515-R517 VanDerWaalsContact C-N 3.32Å; I515-R517 PolarHBondContact O-N 2.94Å; I515-H518 PolarHBondContact O-N 2.84Å; I515-T519 WeakPolarHBondContact O-CB 3.42Å; I515-T519 PolarHBondContact O-N 3.37Å; I515-T519 PolarHBondContact O-OG1 2.79Å; I515-R525 HydrophobicContact CG2-CG 3.82Å; I515-P526 HydrophobicContact CD1-CG 4.03Å; I515-P526 HydrophobicContact CG1-CG 4.35Å; I515-P526 HydrophobicContact CG2-CG 4.02Å
516	R	83	Confident	77.4	Confident	146 Å²	146	52.7 Å²	52.7	55%	0.551	29%	0.288	S	S	*	.	H	α-helix	trans	-63.4	-35.9	174.7	-77.3	172.4	-177.7	-167	9.3	112.2	E512 V513 S514 A520	E512-R516 VanDerWaalsContact CD-CZ 3.43Å; E512-R516 VanDerWaalsContact CD-NE 3.26Å; E512-R516 HydrophobicContact CG-CG 4.13Å; E512-R516 WeakPolarHBondContact O-CB 3.32Å; E512-R516 WeakPolarHBondContact O-CD 3.48Å; E512-R516 WeakPolarHBondContact O-CG 3.3Å; E512-R516 PolarHBondContact O-N 3Å; E512-R516 IonicContact OE1-CZ 2.72Å; E512-R516 VanDerWaalsContact OE1-CZ 3.24Å; E512-R516 IonicContact OE1-NE 2.66Å; E512-R516 PolarHBondContact OE1-NE 3.27Å; E512-R516 IonicContact OE1-NH2 2.7Å; E512-R516 PolarHBondContact OE1-NH2 2.92Å; E512-R516 IonicContact OE2-CZ 2.78Å; E512-R516 IonicContact OE2-NE 3.99Å; E512-R516 IonicContact OE2-NH2 3.73Å; E512-R516 PolarHBondContact OE2-NH2 2.75Å; V513-R516 PolarHBondContact O-N 3.32Å; S514-R516 VanDerWaalsContact C-N 3.35Å; S514-R516 PolarHBondContact O-N 3.19Å; R516-A520 PolarHBondContact O-N 2.79Å
517	R	80	Confident	76.2	Confident	121 Å²	121	57.6 Å²	57.6	46%	0.457	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-51.4	175	-73	168	172.8	173.5	-3.6	111.2	V513 S514 I515 T519 A520	V513-R517 WeakPolarHBondContact O-CG 3.48Å; V513-R517 PolarHBondContact O-N 2.86Å; V513-R517 VanDerWaalsContact O-N 3.07Å; S514-R517 WeakPolarHBondContact O-CB 3.32Å; S514-R517 PolarHBondContact O-N 3.07Å; S514-R517 VanDerWaalsContact O-N 3.11Å; I515-R517 VanDerWaalsContact C-N 3.32Å; I515-R517 PolarHBondContact O-N 2.94Å; R517-T519 VanDerWaalsContact C-N 3.34Å; R517-T519 PolarHBondContact O-N 3.01Å; R517-A520 VanDerWaalsContact O-CB 3.25Å; R517-A520 WeakPolarHBondContact O-CB 3.46Å; R517-A520 PolarHBondContact O-N 3.14Å; R517-A520 VanDerWaalsContact O-N 3.16Å
518	H	75	Confident	75.4	Confident	3 Å²	3	60.4 Å²	60.4	1%	0.014	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-41.7	175.1	176.3	-93.3	0	0	0	112.9	Y468 S514 I515 A520 E521 K523	Y468-H518 HydrophobicContact CD2-CB 3.99Å; S514-H518 PolarHBondContact O-N 3.14Å; I515-H518 PolarHBondContact O-N 2.84Å; H518-A520 PolarHBondContact O-N 2.89Å; H518-E521 WeakPolarHBondContact O-CB 3.41Å; H518-E521 PolarHBondContact O-N 3.34Å; H518-K523 WeakPolarHBondContact NE2-CD 3.45Å
519	T	67.1	Low	74.2	Confident	39 Å²	39	62.5 Å²	62.5	24%	0.239	34%	0.339	C	S	.	.	H	α-helix	trans	-66.5	-19.6	179.4	-58.7	0	0	0	0	112.8	I515 R517 E521 G522 R525	I515-T519 WeakPolarHBondContact O-CB 3.42Å; I515-T519 PolarHBondContact O-N 3.37Å; I515-T519 PolarHBondContact O-OG1 2.79Å; R517-T519 VanDerWaalsContact C-N 3.34Å; R517-T519 PolarHBondContact O-N 3.01Å; T519-E521 PolarHBondContact O-N 3.24Å; T519-E521 VanDerWaalsContact O-N 3.17Å; T519-G522 PolarHBondContact O-N 2.65Å; T519-R525 HydrophobicContact CG2-CB 4.07Å
520	A	62	Low	73.3	Confident	88 Å²	88	66.8 Å²	66.8	73%	0.727	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.1	175.5	0	0	0	0	0	112.9	R516 R517 H518 G522	R516-A520 PolarHBondContact O-N 2.79Å; R517-A520 VanDerWaalsContact O-CB 3.25Å; R517-A520 WeakPolarHBondContact O-CB 3.46Å; R517-A520 PolarHBondContact O-N 3.14Å; R517-A520 VanDerWaalsContact O-N 3.16Å; H518-A520 PolarHBondContact O-N 2.89Å; A520-G522 PolarHBondContact O-N 2.7Å
521	E	59.4	Low	72.3	Confident	127 Å²	127	70.7 Å²	70.7	59%	0.593	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	7	173.1	-56.4	179.7	177.8	0	0	113.7	H518 T519 K523	H518-E521 WeakPolarHBondContact O-CB 3.41Å; H518-E521 PolarHBondContact O-N 3.34Å; T519-E521 PolarHBondContact O-N 3.24Å; T519-E521 VanDerWaalsContact O-N 3.17Å; E521-K523 PolarHBondContact O-N 2.78Å; E521-K523 IonicContact OE2-NZ 3.93Å; E521-K523 PolarHBondContact OE2-NZ 2.86Å
522	G	54.8	Low	71.8	Confident	72 Å²	72	71.3 Å²	71.3	74%	0.742	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	3.9	175.8	0	0	0	0	0	115.7	T519 A520	T519-G522 PolarHBondContact O-N 2.65Å; A520-G522 PolarHBondContact O-N 2.7Å
523	K	57.2	Low	71.5	Confident	83 Å²	83	71.3 Å²	71.3	36%	0.361	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-77.5	150.3	174.6	-63.5	163.5	-174.7	158.6	0	110.9	H518 E521	H518-K523 WeakPolarHBondContact NE2-CD 3.45Å; E521-K523 PolarHBondContact O-N 2.78Å; E521-K523 IonicContact OE2-NZ 3.93Å; E521-K523 PolarHBondContact OE2-NZ 2.86Å
524	S	57.4	Low	71.2	Confident	92 Å²	92	77 Å²	77	64%	0.643	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-62.4	135.7	-176.1	49.5	0	0	0	0	113.3
525	R	63.4	Low	71.1	Confident	120 Å²	120	78.6 Å²	78.6	45%	0.453	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-81	126	177.4	-178.6	176.4	176.3	175	2.3	111.1	E512 I515 T519	E512-R525 IonicContact OE1-CZ 2.71Å; E512-R525 IonicContact OE1-NH1 2.69Å; E512-R525 IonicContact OE1-NH2 3.2Å; E512-R525 PolarHBondContact OE1-NH2 2.87Å; I515-R525 HydrophobicContact CG2-CG 3.82Å; T519-R525 HydrophobicContact CG2-CB 4.07Å
526	P	66.6	Low	71.2	Confident	8 Å²	8	83.8 Å²	83.8	5%	0.052	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-64.6	146.3	171.9	27.8	-36.1	0	0	0	111.7	L471 I515 L528	L471-P526 HydrophobicContact CB-CB 3.81Å; L471-P526 HydrophobicContact CB-CG 4.39Å; I515-P526 HydrophobicContact CD1-CG 4.03Å; I515-P526 HydrophobicContact CG1-CG 4.35Å; I515-P526 HydrophobicContact CG2-CG 4.02Å; P526-L528 PolarHBondContact O-N 2.93Å
527	L	66.4	Low	71.3	Confident	108 Å²	108	81.5 Å²	81.5	57%	0.565	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.1	-172.3	-171.8	62	0	0	0	111.5	S472 D473 I474 L529	S472-L527 PolarHBondContact O-N 2.72Å; D473-L527 CarbonylContact C-O 3.26Å; D473-L527 WeakPolarHBondContact CA-O 3.46Å; D473-L527 HydrophobicContact CB-CB 4.41Å; D473-L527 VanDerWaalsContact CB-O 3.3Å; D473-L527 WeakPolarHBondContact CB-O 3.07Å; I474-L527 PolarHBondContact N-O 2.8Å; L527-L529 HydrophobicContact CD2-CD2 3.65Å; L527-L529 HydrophobicContact CD2-CG 4.12Å; L527-L529 HydrophobicContact CG-CD2 3.87Å; L527-L529 HydrophobicContact CG-CG 4.07Å; L527-L529 PolarHBondContact O-N 3.41Å
528	L	74.5	Confident	71.6	Confident	60 Å²	60	76.8 Å²	76.8	31%	0.314	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	103.7	172.7	176.8	58.2	0	0	0	109.8	I474 V476 L508 P526	I474-L528 HydrophobicContact CB-CD1 4.25Å; I474-L528 HydrophobicContact CG2-CD1 4.27Å; V476-L528 HydrophobicContact CG2-CD1 4.34Å; L508-L528 HydrophobicContact CD2-CD1 3.7Å; P526-L528 PolarHBondContact O-N 2.93Å
529	L	69	Low	72.3	Confident	66 Å²	66	76.6 Å²	76.6	35%	0.346	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	107.7	179.9	-70.6	179.1	0	0	0	110.6	D473 I474 S475 V476 L527 D531	D473-L529 HydrophobicContact CB-CD1 3.78Å; D473-L529 HydrophobicContact CB-CG 4.17Å; I474-L529 PolarHBondContact O-N 3.29Å; S475-L529 CarbonylContact C-O 3.49Å; S475-L529 VanDerWaalsContact CA-O 3.24Å; S475-L529 WeakPolarHBondContact CA-O 3.47Å; V476-L529 PolarHBondContact N-O 2.78Å; V476-L529 VanDerWaalsContact N-O 3.08Å; L527-L529 HydrophobicContact CD2-CD2 3.65Å; L527-L529 HydrophobicContact CD2-CG 4.12Å; L527-L529 HydrophobicContact CG-CD2 3.87Å; L527-L529 HydrophobicContact CG-CG 4.07Å; L527-L529 PolarHBondContact O-N 3.41Å; L529-D531 PolarHBondContact O-N 2.82Å; L529-D531 VanDerWaalsContact O-N 3.1Å
530	K	72.2	Confident	73.3	Confident	145 Å²	145	75.6 Å²	75.6	63%	0.63	41%	0.405	S	S	*	.			trans	-77.6	16.6	169.9	-67.5	-179.6	179.1	176.6	0	113.3	V476 S532	V476-K530 HydrophobicContact CG2-CG 4.38Å; K530-S532 PolarHBondContact O-N 2.72Å
531	D	70.7	Confident	74.4	Confident	84 Å²	84	78.5 Å²	78.5	45%	0.449	40%	0.401	S	S	.	.			trans	-82.1	99.5	-175.9	-176.2	28.5	0	0	0	112.4	L529 T533	L529-D531 PolarHBondContact O-N 2.82Å; L529-D531 VanDerWaalsContact O-N 3.1Å; D531-T533 VanDerWaalsContact C-N 3.3Å; D531-T533 WeakPolarHBondContact OD1-CB 3.44Å; D531-T533 PolarHBondContact OD1-N 3.19Å; D531-T533 PolarHBondContact OD1-OG1 2.9Å
532	S	79.6	Confident	75.7	Confident	15 Å²	15	73.1 Å²	73.1	11%	0.105	38%	0.375	C	S	.	.			trans	-85.6	6.7	171.2	48.7	0	0	0	0	113.5	K530 K534 Q535 R536	K530-S532 PolarHBondContact O-N 2.72Å; S532-K534 VanDerWaalsContact C-N 3.32Å; S532-K534 PolarHBondContact O-N 3.37Å; S532-Q535 PolarHBondContact O-N 3.15Å; S532-R536 WeakPolarHBondContact O-CB 3.4Å; S532-R536 PolarHBondContact O-N 3.3Å; S532-R536 PolarHBondContact OG-NH2 3.32Å
533	T	81.9	Confident	77.2	Confident	60 Å²	60	69.7 Å²	69.7	37%	0.368	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-37.3	-173.5	-61.4	0	0	0	0	113	D531 R536 L537	D531-T533 VanDerWaalsContact C-N 3.3Å; D531-T533 WeakPolarHBondContact OD1-CB 3.44Å; D531-T533 PolarHBondContact OD1-N 3.19Å; D531-T533 PolarHBondContact OD1-OG1 2.9Å; T533-R536 PolarHBondContact O-N 2.83Å; T533-L537 HydrophobicContact CG2-CD1 3.78Å; T533-L537 HydrophobicContact CG2-CG 4.13Å; T533-L537 WeakPolarHBondContact O-CB 3.44Å; T533-L537 VanDerWaalsContact O-CG 3.27Å; T533-L537 WeakPolarHBondContact O-CG 3.5Å; T533-L537 PolarHBondContact O-N 3.38Å
534	K	81.2	Confident	78.5	Confident	171 Å²	171	66.6 Å²	66.6	74%	0.743	33%	0.329	S	S	*	.	H	α-helix	trans	-56.8	-52.7	174.9	-69.1	179.1	-178.4	171.6	0	111.7	S532 L537 A538	S532-K534 VanDerWaalsContact C-N 3.32Å; S532-K534 PolarHBondContact O-N 3.37Å; K534-L537 PolarHBondContact O-N 3.3Å; K534-A538 PolarHBondContact O-N 3.48Å
535	Q	86	Confident	79.7	Confident	33 Å²	33	66 Å²	66	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-37.8	178.5	-162.5	-176.5	27.1	0	0	111.4	L478 S532 L537 A538 M539 E710	L478-Q535 HydrophobicContact CD1-CB 4.27Å; L478-Q535 HydrophobicContact CD1-CG 3.99Å; L478-Q535 HydrophobicContact CG-CB 4.28Å; L478-Q535 HydrophobicContact CG-CG 4.33Å; S532-Q535 PolarHBondContact O-N 3.15Å; Q535-L537 VanDerWaalsContact C-N 3.32Å; Q535-L537 PolarHBondContact O-N 2.89Å; Q535-A538 PolarHBondContact O-N 3.02Å; Q535-A538 VanDerWaalsContact O-N 3.17Å; Q535-M539 HydrophobicContact CG-CE 4.15Å; Q535-M539 HydrophobicContact CG-CG 4.34Å; Q535-M539 WeakPolarHBondContact O-CB 3.05Å; Q535-M539 VanDerWaalsContact O-CG 3.23Å; Q535-M539 WeakPolarHBondContact O-CG 2.95Å; Q535-M539 PolarHBondContact O-N 3.29Å; Q535-E710 PolarHBondContact NE2-OE1 3.03Å
536	R	87.3	Confident	80.4	Confident	118 Å²	118	64.6 Å²	64.6	45%	0.445	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-41.5	175.5	-157.1	176.3	-58.5	163.7	8.4	112.4	L478 S532 T533 S540 V554	L478-R536 HydrophobicContact CD2-CB 3.97Å; L478-R536 HydrophobicContact CD2-CG 4.09Å; S532-R536 WeakPolarHBondContact O-CB 3.4Å; S532-R536 PolarHBondContact O-N 3.3Å; S532-R536 PolarHBondContact OG-NH2 3.32Å; T533-R536 PolarHBondContact O-N 2.83Å; R536-S540 WeakPolarHBondContact O-CB 3.2Å; R536-S540 PolarHBondContact O-N 2.76Å; R536-V554 HydrophobicContact CG-CG2 4.4Å
537	L	86.5	Confident	80.9	Confident	99 Å²	99	66.5 Å²	66.5	52%	0.518	33%	0.333	S	S	.	.	H	α-helix	trans	-71.2	-34.8	176	-70.8	171.4	0	0	0	112.2	T533 K534 Q535 K541	T533-L537 HydrophobicContact CG2-CD1 3.78Å; T533-L537 HydrophobicContact CG2-CG 4.13Å; T533-L537 WeakPolarHBondContact O-CB 3.44Å; T533-L537 VanDerWaalsContact O-CG 3.27Å; T533-L537 WeakPolarHBondContact O-CG 3.5Å; T533-L537 PolarHBondContact O-N 3.38Å; K534-L537 PolarHBondContact O-N 3.3Å; Q535-L537 VanDerWaalsContact C-N 3.32Å; Q535-L537 PolarHBondContact O-N 2.89Å; L537-K541 WeakPolarHBondContact O-CB 3.09Å; L537-K541 WeakPolarHBondContact O-CD 3.23Å; L537-K541 WeakPolarHBondContact O-CG 3.4Å; L537-K541 PolarHBondContact O-N 3.09Å
538	A	86.3	Confident	81	Confident	21 Å²	21	66.9 Å²	66.9	17%	0.174	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-52.5	172.5	0	0	0	0	0	111.3	K534 Q535 S540 K541 W542	K534-A538 PolarHBondContact O-N 3.48Å; Q535-A538 PolarHBondContact O-N 3.02Å; Q535-A538 VanDerWaalsContact O-N 3.17Å; A538-S540 PolarHBondContact O-N 3.45Å; A538-K541 PolarHBondContact O-N 2.76Å; A538-W542 WeakPolarHBondContact O-CB 3.17Å; A538-W542 PolarHBondContact O-N 2.85Å
539	M	88.1	Confident	80.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-47.6	177.2	-66.2	-73.8	161.2	0	0	111.8	L478 Q535 K541 W542 M543 V554 Y557 V699 E710 I717	L478-M539 HydrophobicContact CD1-CB 4.36Å; L478-M539 HydrophobicContact CD1-CG 3.69Å; Q535-M539 HydrophobicContact CG-CE 4.15Å; Q535-M539 HydrophobicContact CG-CG 4.34Å; Q535-M539 WeakPolarHBondContact O-CB 3.05Å; Q535-M539 VanDerWaalsContact O-CG 3.23Å; Q535-M539 WeakPolarHBondContact O-CG 2.95Å; Q535-M539 PolarHBondContact O-N 3.29Å; M539-K541 PolarHBondContact O-N 3.19Å; M539-W542 PolarHBondContact O-N 2.88Å; M539-W542 HydrophobicContact SD-CE3 3.94Å; M539-W542 HydrophobicContact SD-CZ3 3.98Å; M539-M543 VanDerWaalsContact O-CG 3.31Å; M539-M543 WeakPolarHBondContact O-CG 3.32Å; M539-M543 PolarHBondContact O-N 2.75Å; M539-V554 HydrophobicContact CB-CG2 4.17Å; M539-Y557 HydrophobicContact CE-CE2 3.59Å; M539-Y557 HydrophobicContact CG-CE2 4.49Å; M539-Y557 HydrophobicContact SD-CD2 4.38Å; M539-Y557 HydrophobicContact SD-CE2 3.87Å; M539-V699 HydrophobicContact SD-CG2 4.04Å; M539-E710 HydrophobicContact CE-CG 4.22Å; M539-E710 WeakPolarHBondContact CE-OE1 3.4Å; M539-I717 HydrophobicContact CE-CD1 3.53Å; M539-I717 HydrophobicContact CG-CD1 4.4Å; M539-I717 HydrophobicContact SD-CD1 3.48Å; M539-I717 WeakPolarHBondContact SD-CD1 3.32Å
540	S	88.2	Confident	80.9	Confident	17 Å²	17	69.1 Å²	69.1	12%	0.119	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-40.2	179.2	-170.2	0	0	0	0	112.1	R536 A538 S544 P551 L552	R536-S540 WeakPolarHBondContact O-CB 3.2Å; R536-S540 PolarHBondContact O-N 2.76Å; A538-S540 PolarHBondContact O-N 3.45Å; S540-S544 WeakPolarHBondContact O-CB 3.16Å; S540-S544 PolarHBondContact O-N 3.18Å; S540-S544 PolarHBondContact O-OG 2.79Å; S540-P551 WeakPolarHBondContact OG-CB 3.44Å; S540-L552 PolarHBondContact OG-O 3.28Å
541	K	85.6	Confident	81.2	Confident	149 Å²	149	66.6 Å²	66.6	65%	0.648	37%	0.365	S	S	*	.	H	α-helix	trans	-61.8	-47	173.1	-77.2	171.7	-178.6	-176.9	0	112.2	L537 A538 M539 S544 S545	L537-K541 WeakPolarHBondContact O-CB 3.09Å; L537-K541 WeakPolarHBondContact O-CD 3.23Å; L537-K541 WeakPolarHBondContact O-CG 3.4Å; L537-K541 PolarHBondContact O-N 3.09Å; A538-K541 PolarHBondContact O-N 2.76Å; M539-K541 PolarHBondContact O-N 3.19Å; K541-S544 WeakPolarHBondContact O-CB 3.46Å; K541-S544 PolarHBondContact O-N 2.87Å; K541-S545 PolarHBondContact O-N 2.82Å; K541-S545 PolarHBondContact O-OG 2.88Å
542	W	86.3	Confident	81.7	Confident	14 Å²	14	64.1 Å²	64.1	5%	0.053	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-53.6	178.3	161.5	55.6	0	0	0	112.1	A538 M539 S544 S545 E546 V699 F706 I717 T719	A538-W542 WeakPolarHBondContact O-CB 3.17Å; A538-W542 PolarHBondContact O-N 2.85Å; M539-W542 PolarHBondContact O-N 2.88Å; M539-W542 HydrophobicContact SD-CE3 3.94Å; M539-W542 HydrophobicContact SD-CZ3 3.98Å; W542-S544 PolarHBondContact O-N 2.9Å; W542-S545 WeakPolarHBondContact CA-OG 3.18Å; W542-S545 PolarHBondContact O-N 2.94Å; W542-S545 VanDerWaalsContact O-N 3.07Å; W542-S545 PolarHBondContact O-OG 3.43Å; W542-E546 PolarHBondContact O-N 2.7Å; W542-E546 VanDerWaalsContact O-N 3.11Å; W542-V699 HydrophobicContact CZ3-CG2 3.91Å; W542-F706 HydrophobicContact CH2-CB 3.64Å; W542-F706 HydrophobicContact CH2-CG 4.44Å; W542-F706 HydrophobicContact CZ2-CB 4.3Å; W542-F706 HydrophobicContact CZ3-CB 4.09Å; W542-I717 HydrophobicContact CB-CB 4.35Å; W542-I717 HydrophobicContact CB-CD1 4.03Å; W542-I717 HydrophobicContact CB-CG1 4.43Å; W542-I717 HydrophobicContact CD2-CB 3.72Å; W542-I717 HydrophobicContact CD2-CD1 3.91Å; W542-I717 HydrophobicContact CD2-CG1 4.36Å; W542-I717 HydrophobicContact CD2-CG2 3.71Å; W542-I717 HydrophobicContact CE3-CB 4.27Å; W542-I717 HydrophobicContact CE3-CD1 3.71Å; W542-I717 HydrophobicContact CE3-CG2 3.98Å; W542-I717 HydrophobicContact CG-CB 3.73Å; W542-I717 HydrophobicContact CG-CD1 4.06Å; W542-I717 HydrophobicContact CG-CG1 4.29Å; W542-I717 HydrophobicContact CG-CG2 4.27Å; W542-I717 HydrophobicContact CH2-CG2 3.98Å; W542-I717 HydrophobicContact CZ2-CG2 3.74Å; W542-I717 HydrophobicContact CZ3-CD1 4.44Å; W542-I717 HydrophobicContact CZ3-CG2 4.1Å; W542-I717 PolarHBondContact NE1-O 3.37Å; W542-T719 PolarHBondContact NE1-OG1 3.06Å
543	M	87.6	Confident	82	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-60	-32	176.9	-64.1	-177.7	-55.8	0	0	112.4	M539 L547 L552 V554 V699 T701 F706	M539-M543 VanDerWaalsContact O-CG 3.31Å; M539-M543 WeakPolarHBondContact O-CG 3.32Å; M539-M543 PolarHBondContact O-N 2.75Å; M543-L547 PolarHBondContact O-N 3.08Å; M543-L552 HydrophobicContact CE-CB 4.41Å; M543-V554 HydrophobicContact CE-CG2 3.68Å; M543-V699 HydrophobicContact CE-CG1 4.34Å; M543-V699 HydrophobicContact SD-CB 4.25Å; M543-V699 HydrophobicContact SD-CG1 3.76Å; M543-T701 HydrophobicContact CE-CG2 3.7Å; M543-T701 HydrophobicContact SD-CG2 3.38Å; M543-T701 WeakPolarHBondContact SD-CG2 3.31Å; M543-F706 HydrophobicContact CB-CD2 4.4Å; M543-F706 HydrophobicContact CB-CE1 4.05Å; M543-F706 HydrophobicContact CB-CE2 3.84Å; M543-F706 HydrophobicContact CB-CZ 3.63Å; M543-F706 HydrophobicContact CG-CD1 4.06Å; M543-F706 HydrophobicContact CG-CD2 3.68Å; M543-F706 HydrophobicContact CG-CE1 4.02Å; M543-F706 HydrophobicContact CG-CE2 3.64Å; M543-F706 HydrophobicContact CG-CG 3.88Å; M543-F706 HydrophobicContact CG-CZ 3.8Å; M543-F706 HydrophobicContact SD-CD2 3.48Å; M543-F706 WeakPolarHBondContact SD-CD2 3.39Å; M543-F706 HydrophobicContact SD-CE2 3.62Å; M543-F706 HydrophobicContact SD-CG 4.14Å; M543-F706 HydrophobicContact SD-CZ 4.39Å
544	S	84.4	Confident	82.5	Confident	18 Å²	18	65.3 Å²	65.3	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-69.2	-39.1	174.9	-55.5	0	0	0	0	112.9	S540 K541 W542 S548 S549 P551	S540-S544 WeakPolarHBondContact O-CB 3.16Å; S540-S544 PolarHBondContact O-N 3.18Å; S540-S544 PolarHBondContact O-OG 2.79Å; K541-S544 WeakPolarHBondContact O-CB 3.46Å; K541-S544 PolarHBondContact O-N 2.87Å; W542-S544 PolarHBondContact O-N 2.9Å; S544-S548 VanDerWaalsContact O-CA 3.32Å; S544-S548 WeakPolarHBondContact O-CA 3.23Å; S544-S548 PolarHBondContact O-N 2.91Å; S544-S549 PolarHBondContact O-N 2.96Å; S544-P551 VanDerWaalsContact OG-CA 3.25Å; S544-P551 WeakPolarHBondContact OG-CA 3.35Å
545	S	81	Confident	83	Confident	81 Å²	81	59.4 Å²	59.4	57%	0.566	34%	0.339	S	S	*	.	H	α-helix	trans	-68.1	-39.9	176.9	38.8	0	0	0	0	112.4	K541 W542 S548	K541-S545 PolarHBondContact O-N 2.82Å; K541-S545 PolarHBondContact O-OG 2.88Å; W542-S545 WeakPolarHBondContact CA-OG 3.18Å; W542-S545 PolarHBondContact O-N 2.94Å; W542-S545 VanDerWaalsContact O-N 3.07Å; W542-S545 PolarHBondContact O-OG 3.43Å; S545-S548 PolarHBondContact O-N 3.18Å
546	E	77.9	Confident	83.3	Confident	89 Å²	89	58.9 Å²	58.9	42%	0.416	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-44.1	176.7	-69.3	-64.7	158.8	0	0	112.3	W542 F706 T719	W542-E546 PolarHBondContact O-N 2.7Å; W542-E546 VanDerWaalsContact O-N 3.11Å; E546-F706 HydrophobicContact CB-CE1 4.16Å; E546-T719 HydrophobicContact CG-CG2 4.48Å; E546-T719 WeakPolarHBondContact CG-OG1 3.46Å; E546-T719 WeakPolarHBondContact OE1-CB 3.18Å; E546-T719 PolarHBondContact OE1-OG1 2.97Å
547	L	77.3	Confident	83.7	Confident	48 Å²	48	53.5 Å²	53.5	25%	0.251	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1.3	-179.2	-63.9	-179	0	0	0	114.4	M543 S549 L552 Y704 F706	M543-L547 PolarHBondContact O-N 3.08Å; L547-S549 PolarHBondContact O-N 3.03Å; L547-L552 HydrophobicContact CD1-CD1 3.72Å; L547-Y704 HydrophobicContact CD1-CD1 3.98Å; L547-Y704 HydrophobicContact CD1-CD2 3.69Å; L547-Y704 HydrophobicContact CD1-CE1 3.81Å; L547-Y704 HydrophobicContact CD1-CE2 3.56Å; L547-Y704 HydrophobicContact CD1-CG 3.93Å; L547-Y704 HydrophobicContact CD2-CD1 4.1Å; L547-Y704 HydrophobicContact CD2-CE1 3.65Å; L547-Y704 HydrophobicContact CG-CE1 4.42Å; L547-F706 HydrophobicContact CD1-CE2 4.45Å; L547-F706 HydrophobicContact CD1-CZ 3.65Å; L547-F706 HydrophobicContact CG-CE1 4.34Å; L547-F706 HydrophobicContact CG-CZ 3.92Å
548	S	68.4	Low	84.1	Confident	117 Å²	117	48.8 Å²	48.8	82%	0.818	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	41.8	-173.2	-62.3	0	0	0	0	113.5	S544 S545	S544-S548 VanDerWaalsContact O-CA 3.32Å; S544-S548 WeakPolarHBondContact O-CA 3.23Å; S544-S548 PolarHBondContact O-N 2.91Å; S545-S548 PolarHBondContact O-N 3.18Å
549	S	69.4	Low	84.4	Confident	66 Å²	66	47.9 Å²	47.9	46%	0.462	28%	0.284	S	S	.	.	S	Bend	trans	-129.4	-179	-162.8	-163.6	0	0	0	0	114	S544 L547	S544-S549 PolarHBondContact O-N 2.96Å; L547-S549 PolarHBondContact O-N 3.03Å
550	V	73.7	Confident	84.7	Confident	106 Å²	106	47.9 Å²	47.9	64%	0.642	28%	0.284	S	S	*	.	S	Bend	trans	-67.6	146.2	173.5	175.3	0	0	0	0	110.1	L552	V550-L552 PolarHBondContact O-N 2.66Å
551	P	77.6	Confident	84.7	Confident	92 Å²	92	47.1 Å²	47.1	60%	0.597	28%	0.278	S	S	*	.			trans	-44.8	107.4	172.4	15.5	-32.1	0	0	0	113.6	S540 S544	S540-P551 WeakPolarHBondContact OG-CB 3.44Å; S544-P551 VanDerWaalsContact OG-CA 3.25Å; S544-P551 WeakPolarHBondContact OG-CA 3.35Å
552	L	81.5	Confident	84.9	Confident	32 Å²	32	40.8 Å²	40.8	17%	0.168	25%	0.25	C	S	.	.			trans	-76.2	141.6	175.7	-65	-173.8	0	0	0	110.7	S540 M543 L547 V550 T701 Y704 F706	S540-L552 PolarHBondContact OG-O 3.28Å; M543-L552 HydrophobicContact CE-CB 4.41Å; L547-L552 HydrophobicContact CD1-CD1 3.72Å; V550-L552 PolarHBondContact O-N 2.66Å; L552-T701 HydrophobicContact CB-CG2 3.97Å; L552-T701 HydrophobicContact CD1-CG2 3.98Å; L552-Y704 HydrophobicContact CD1-CD2 4.26Å; L552-F706 HydrophobicContact CD1-CE2 4.42Å
553	P	86.7	Confident	84.9	Confident	67 Å²	67	41.6 Å²	41.6	44%	0.435	25%	0.254	S	S	.	.			trans	-70.9	145.7	170.2	31.2	-34	0	0	0	110.6	T701 D702	P553-T701 WeakPolarHBondContact O-CG2 3.34Å; P553-D702 WeakPolarHBondContact CG-OD2 3.31Å
554	V	90.8	Very high	84.4	Confident	33 Å²	33	43.8 Å²	43.8	20%	0.2	27%	0.268	C	S	.	.			trans	-86.9	108	169.8	175	0	0	0	0	108.1	R536 M539 M543 V699	R536-V554 HydrophobicContact CG-CG2 4.4Å; M539-V554 HydrophobicContact CB-CG2 4.17Å; M543-V554 HydrophobicContact CE-CG2 3.68Å; V554-V699 HydrophobicContact CB-CG1 4.45Å; V554-V699 HydrophobicContact CG1-CG1 3.81Å; V554-V699 HydrophobicContact CG2-CG1 4.03Å
555	S	91.4	Very high	83.7	Confident	48 Å²	48	44.9 Å²	44.9	34%	0.336	28%	0.276	S	S	.	.			trans	-82.7	-32.1	178.9	-56.4	0	0	0	0	112.3	L700	S555-L700 PolarHBondContact N-O 3.44Å
556	F	93.6	Very high	83	Confident	21 Å²	21	42 Å²	42	9%	0.092	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	151.8	174.1	166.3	-86.1	0	0	0	110.4	A558 V699 L700 F759 A767 F768 C771	F556-A558 HydrophobicContact CE1-CB 3.58Å; F556-A558 HydrophobicContact CE2-CB 4.4Å; F556-A558 HydrophobicContact CZ-CB 3.4Å; F556-A558 VanDerWaalsContact CZ-CB 3.4Å; F556-V699 WeakPolarHBondContact O-CA 3.43Å; F556-L700 HydrophobicContact CB-CB 4.17Å; F556-L700 HydrophobicContact CD1-CD1 4.21Å; F556-L700 PolarHBondContact N-O 2.92Å; F556-L700 PolarHBondContact O-N 2.94Å; F556-F759 HydrophobicContact CE1-CE1 4.36Å; F556-F759 HydrophobicContact CZ-CE1 4.15Å; F556-A767 HydrophobicContact CD2-CB 4.14Å; F556-A767 HydrophobicContact CE2-CB 3.71Å; F556-F768 HydrophobicContact CD1-CD2 4.24Å; F556-F768 HydrophobicContact CE1-CB 3.87Å; F556-F768 AromaticContact CE1-CD2 3.8Å; F556-F768 HydrophobicContact CE1-CD2 3.8Å; F556-F768 HydrophobicContact CE1-CG 4.34Å; F556-F768 HydrophobicContact CE2-CB 4.24Å; F556-F768 HydrophobicContact CZ-CB 3.66Å; F556-F768 HydrophobicContact CZ-CD2 4.45Å; F556-C771 HydrophobicContact CB-CB 4.07Å
557	Y	94.9	Very high	82	Confident	6 Å²	6	40.2 Å²	40.2	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	127.9	178	178.6	-84.3	0	0	0	109.7	L478 Q481 M539 S697 C698 V699	L478-Y557 HydrophobicContact CB-CD1 3.49Å; L478-Y557 VanDerWaalsContact CB-CD1 3.49Å; L478-Y557 HydrophobicContact CB-CD2 4.06Å; L478-Y557 HydrophobicContact CB-CE1 4.09Å; L478-Y557 HydrophobicContact CB-CG 3.49Å; L478-Y557 VanDerWaalsContact CB-CG 3.49Å; L478-Y557 HydrophobicContact CD1-CD2 3.89Å; L478-Y557 HydrophobicContact CD1-CE2 4.34Å; L478-Y557 HydrophobicContact CD1-CG 4.15Å; L478-Y557 HydrophobicContact CG-CG 4.48Å; L478-Y557 WeakPolarHBondContact O-CD1 3.44Å; Q481-Y557 HydrophobicContact CB-CD1 4.29Å; Q481-Y557 HydrophobicContact CB-CE1 3.97Å; Q481-Y557 HydrophobicContact CG-CD1 3.76Å; Q481-Y557 HydrophobicContact CG-CE1 3.9Å; M539-Y557 HydrophobicContact CE-CE2 3.59Å; M539-Y557 HydrophobicContact CG-CE2 4.49Å; M539-Y557 HydrophobicContact SD-CD2 4.38Å; M539-Y557 HydrophobicContact SD-CE2 3.87Å; Y557-S697 WeakPolarHBondContact OH-CB 3.42Å; Y557-C698 WeakPolarHBondContact CA-O 3Å; Y557-V699 HydrophobicContact CD2-CG1 4.47Å; Y557-V699 HydrophobicContact CD2-CG2 3.72Å; Y557-V699 HydrophobicContact CE2-CG2 4.02Å
558	A	95	Very high	80.1	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.6	172	0	0	0	0	0	112.2	F556 V560 C698 F759	F556-A558 HydrophobicContact CE1-CB 3.58Å; F556-A558 HydrophobicContact CE2-CB 4.4Å; F556-A558 HydrophobicContact CZ-CB 3.4Å; F556-A558 VanDerWaalsContact CZ-CB 3.4Å; A558-V560 HydrophobicContact CB-CG1 4.3Å; A558-C698 PolarHBondContact N-O 3.3Å; A558-C698 PolarHBondContact O-N 2.98Å; A558-F759 HydrophobicContact CB-CD1 4.19Å; A558-F759 HydrophobicContact CB-CE1 4.11Å
559	L	93.9	Very high	78.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.4	165.8	-67	175.2	0	0	0	109.1	H428 Q429 Q481 T482 C497 C499	H428-L559 HydrophobicContact CB-CD1 4.41Å; Q429-L559 HydrophobicContact CB-CD2 3.87Å; Q481-L559 HydrophobicContact CB-CD1 4.06Å; Q481-L559 HydrophobicContact CB-CG 4.04Å; T482-L559 HydrophobicContact CG2-CD1 3.87Å; C497-L559 HydrophobicContact CB-CD1 3.8Å; C499-L559 HydrophobicContact CB-CB 4.07Å; C499-L559 VanDerWaalsContact SG-CB 3.55Å
560	V	93	Very high	76.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.6	-170	-62.5	0	0	0	0	111.6	H428 A558 C696 C698 L757 S758 F759	H428-V560 PolarHBondContact NE2-O 3.26Å; A558-V560 HydrophobicContact CB-CG1 4.3Å; V560-C696 PolarHBondContact N-O 3.23Å; V560-C696 PolarHBondContact O-N 3.11Å; V560-C696 VanDerWaalsContact O-N 3.08Å; V560-C698 HydrophobicContact CG1-CB 4.08Å; V560-C698 HydrophobicContact CG2-CB 3.69Å; V560-L757 HydrophobicContact CG2-CD2 4.2Å; V560-S758 VanDerWaalsContact CA-O 3.3Å; V560-S758 WeakPolarHBondContact CA-O 3.24Å; V560-S758 WeakPolarHBondContact CB-O 3.3Å; V560-F759 HydrophobicContact CG1-CD1 3.61Å; V560-F759 HydrophobicContact CG1-CE1 3.53Å; V560-F759 HydrophobicContact CG1-CG 4.19Å; V560-F759 HydrophobicContact CG1-CZ 4.03Å
561	F	88.8	Confident	74.9	Confident	1 Å²	1	44 Å²	44	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.1	154.3	-68.9	-73.1	0	0	0	108.9	H428 F433 Y563 L694 A695 S758 R800 W801	H428-F561 AromaticContact CE1-CE1 3.87Å; H428-F561 AromaticContact CE1-CE2 3.86Å; H428-F561 AromaticContact CE1-CZ 3.68Å; F433-F561 HydrophobicContact CB-CE1 3.77Å; F433-F561 HydrophobicContact CB-CZ 3.74Å; F433-F561 AromaticContact CD1-CE1 3.97Å; F433-F561 HydrophobicContact CD1-CE1 3.97Å; F433-F561 HydrophobicContact CD2-CE1 4.36Å; F433-F561 HydrophobicContact CD2-CZ 4.29Å; F433-F561 AromaticContact CG-CE1 3.75Å; F433-F561 HydrophobicContact CG-CE1 3.75Å; F433-F561 AromaticContact CG-CZ 3.97Å; F433-F561 HydrophobicContact CG-CZ 3.97Å; F561-Y563 HydrophobicContact CB-CE2 3.97Å; F561-L694 WeakPolarHBondContact CA-O 3.4Å; F561-A695 HydrophobicContact CD1-CB 4.17Å; F561-A695 HydrophobicContact CE1-CB 3.95Å; F561-S758 PolarHBondContact N-O 2.62Å; F561-S758 PolarHBondContact O-N 3.46Å; F561-R800 HydrophobicContact CE2-CG 4.45Å; F561-R800 HydrophobicContact CZ-CG 4.43Å; F561-W801 HydrophobicContact CD2-CD2 4.01Å; F561-W801 AromaticContact CD2-CE2 3.47Å; F561-W801 VanDerWaalsContact CD2-CE2 3.47Å; F561-W801 HydrophobicContact CD2-CE3 4.46Å; F561-W801 HydrophobicContact CD2-CH2 4.02Å; F561-W801 AromaticContact CD2-CZ2 3.5Å; F561-W801 HydrophobicContact CD2-CZ2 3.5Å; F561-W801 VanDerWaalsContact CD2-CZ2 3.5Å; F561-W801 HydrophobicContact CD2-CZ3 4.46Å; F561-W801 AromaticContact CD2-NE1 3.76Å; F561-W801 AromaticContact CE2-CD2 3.79Å; F561-W801 HydrophobicContact CE2-CD2 3.79Å; F561-W801 AromaticContact CE2-CE2 3.74Å; F561-W801 AromaticContact CE2-CE3 3.9Å; F561-W801 HydrophobicContact CE2-CE3 3.9Å; F561-W801 HydrophobicContact CE2-CG 4.44Å; F561-W801 AromaticContact CE2-CH2 3.98Å; F561-W801 HydrophobicContact CE2-CH2 3.98Å; F561-W801 AromaticContact CE2-CZ2 3.86Å; F561-W801 HydrophobicContact CE2-CZ2 3.86Å; F561-W801 AromaticContact CE2-CZ3 3.98Å; F561-W801 HydrophobicContact CE2-CZ3 3.98Å; F561-W801 HydrophobicContact CG-CZ2 4.44Å
562	W	90.3	Very high	72.7	Confident	16 Å²	16	43.7 Å²	43.7	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.9	174.4	174.6	51	0	0	0	111.1	P564 C693 L694 L707 L720 A721 W755 L756 L757	W562-P564 HydrophobicContact CD2-CG 4Å; W562-P564 HydrophobicContact CE3-CG 3.92Å; W562-P564 HydrophobicContact CH2-CB 3.85Å; W562-P564 HydrophobicContact CH2-CG 3.7Å; W562-P564 HydrophobicContact CZ2-CB 3.6Å; W562-P564 HydrophobicContact CZ2-CG 3.78Å; W562-P564 HydrophobicContact CZ3-CB 4.4Å; W562-P564 HydrophobicContact CZ3-CG 3.75Å; W562-C693 CarbonylContact O-C 3.55Å; W562-C693 WeakPolarHBondContact O-CA 3.34Å; W562-L694 HydrophobicContact CE3-CD1 3.91Å; W562-L694 HydrophobicContact CZ3-CD1 3.97Å; W562-L694 PolarHBondContact N-O 2.81Å; W562-L694 PolarHBondContact O-N 2.56Å; W562-L707 HydrophobicContact CB-CD1 4.29Å; W562-L707 HydrophobicContact CD2-CD1 3.43Å; W562-L707 VanDerWaalsContact CD2-CD1 3.43Å; W562-L707 VanDerWaalsContact CE2-CD1 3.43Å; W562-L707 HydrophobicContact CE3-CD1 4.04Å; W562-L707 HydrophobicContact CG-CD1 3.55Å; W562-L707 HydrophobicContact CZ2-CD1 4.02Å; W562-L720 HydrophobicContact CE3-CB 4.32Å; W562-L720 HydrophobicContact CE3-CD1 4.28Å; W562-L720 HydrophobicContact CZ3-CB 3.8Å; W562-L720 HydrophobicContact CZ3-CD1 4.42Å; W562-A721 HydrophobicContact CH2-CB 3.84Å; W562-A721 HydrophobicContact CZ2-CB 4.03Å; W562-W755 HydrophobicContact CZ2-CD2 4.2Å; W562-W755 HydrophobicContact CZ2-CE3 4.28Å; W562-W755 HydrophobicContact CZ2-CH2 4.39Å; W562-W755 HydrophobicContact CZ2-CZ2 4.28Å; W562-W755 HydrophobicContact CZ2-CZ3 4.38Å; W562-W755 AromaticContact NE1-CD2 3.55Å; W562-W755 AromaticContact NE1-CE3 3.54Å; W562-W755 AromaticContact NE1-CG 3.67Å; W562-L756 WeakPolarHBondContact CA-O 3.45Å; W562-L757 HydrophobicContact CB-CD2 3.98Å; W562-L757 HydrophobicContact CG-CD2 4.09Å
563	Y	86	Confident	70.2	Confident	31 Å²	31	43 Å²	43	12%	0.122	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.7	171.5	-54.3	-113.5	0	0	0	107.5	F561 S565 C693 W755 L756 A797	F561-Y563 HydrophobicContact CB-CE2 3.97Å; Y563-S565 VanDerWaalsContact C-N 3.31Å; Y563-S565 PolarHBondContact O-N 2.92Å; Y563-C693 HydrophobicContact CD1-CB 3.8Å; Y563-C693 HydrophobicContact CD2-CB 4.37Å; Y563-C693 HydrophobicContact CE1-CB 3.32Å; Y563-C693 HydrophobicContact CE2-CB 3.94Å; Y563-C693 HydrophobicContact CG-CB 4.3Å; Y563-W755 WeakPolarHBondContact O-CA 3.35Å; Y563-L756 HydrophobicContact CD2-CB 3.79Å; Y563-L756 HydrophobicContact CD2-CD2 3.75Å; Y563-L756 HydrophobicContact CD2-CG 4.03Å; Y563-L756 HydrophobicContact CE2-CD2 3.98Å; Y563-L756 HydrophobicContact CG-CB 4.07Å; Y563-L756 HydrophobicContact CG-CD2 4.19Å; Y563-L756 PolarHBondContact N-O 3.28Å; Y563-L756 PolarHBondContact O-N 2.84Å; Y563-L756 VanDerWaalsContact O-N 3.07Å; Y563-A797 HydrophobicContact CE2-CB 3.69Å; Y563-A797 WeakPolarHBondContact OH-CB 3.33Å
564	P	76.2	Confident	67.7	Low	46 Å²	46	43.8 Å²	43.8	30%	0.299	25%	0.253	S	S	.	.	S	Bend	trans	-66.6	-20.1	-168.4	-24.8	33.6	0	0	0	116.7	W562 H692 W755	W562-P564 HydrophobicContact CD2-CG 4Å; W562-P564 HydrophobicContact CE3-CG 3.92Å; W562-P564 HydrophobicContact CH2-CB 3.85Å; W562-P564 HydrophobicContact CH2-CG 3.7Å; W562-P564 HydrophobicContact CZ2-CB 3.6Å; W562-P564 HydrophobicContact CZ2-CG 3.78Å; W562-P564 HydrophobicContact CZ3-CB 4.4Å; W562-P564 HydrophobicContact CZ3-CG 3.75Å; P564-H692 WeakPolarHBondContact CD-O 3.48Å; P564-W755 PolarHBondContact O-NE1 2.88Å
565	S	71.3	Confident	65	Low	42 Å²	42	45.7 Å²	45.7	29%	0.294	27%	0.267	S	S	.	.			trans	-157	119.4	178	-174.6	0	0	0	0	111	Y563 C570 K754	Y563-S565 VanDerWaalsContact C-N 3.31Å; Y563-S565 PolarHBondContact O-N 2.92Å; S565-C570 VanDerWaalsContact O-CB 3.29Å; S565-C570 WeakPolarHBondContact O-CB 3.27Å; S565-C570 PolarHBondContact O-SG 2.69Å; S565-C570 VanDerWaalsContact O-SG 3.36Å; S565-K754 CarbonylContact C-O 3.24Å; S565-K754 VanDerWaalsContact CA-O 3.29Å; S565-K754 WeakPolarHBondContact CA-O 3.45Å
566	I	66.4	Low	62.3	Low	20 Å²	20	49.2 Å²	49.2	10%	0.103	28%	0.276	C	S	.	.			trans	-94.8	-20.7	176.1	-36	170.1	0	0	0	112	Q568 I741 K754 L756 L790 L793	I566-Q568 PolarHBondContact O-N 3.33Å; I566-I741 HydrophobicContact CD1-CB 4.36Å; I566-I741 HydrophobicContact CD1-CD1 4.23Å; I566-I741 HydrophobicContact CD1-CG1 3.87Å; I566-I741 HydrophobicContact CD1-CG2 3.71Å; I566-K754 HydrophobicContact CB-CB 4.32Å; I566-K754 HydrophobicContact CD1-CB 4.08Å; I566-K754 HydrophobicContact CG1-CB 4.25Å; I566-K754 WeakPolarHBondContact CG1-O 3.42Å; I566-K754 PolarHBondContact N-O 2.77Å; I566-L756 HydrophobicContact CD1-CB 3.67Å; I566-L756 HydrophobicContact CD1-CD1 4.18Å; I566-L756 HydrophobicContact CD1-CG 4.46Å; I566-L756 HydrophobicContact CG1-CB 4Å; I566-L790 HydrophobicContact CB-CD2 4.24Å; I566-L790 HydrophobicContact CD1-CD2 4.36Å; I566-L790 HydrophobicContact CG2-CD2 3.58Å; I566-L793 HydrophobicContact CG2-CD1 3.6Å
567	D	55.9	Low	59.9	Low	51 Å²	51	51.2 Å²	51.2	27%	0.273	29%	0.288	S	S	.	.	S	Bend	trans	-72.4	101.3	-164.6	-77.3	-53.9	0	0	0	114.1	S569 K754	D567-S569 VanDerWaalsContact C-N 3.27Å; D567-S569 PolarHBondContact O-N 3.48Å; D567-K754 IonicContact OD1-NZ 3.31Å; D567-K754 PolarHBondContact OD1-NZ 2.67Å; D567-K754 WeakPolarHBondContact OD2-CB 3.42Å; D567-K754 WeakPolarHBondContact OD2-CG 3.38Å; D567-K754 PolarHBondContact OD2-N 3.03Å; D567-K754 IonicContact OD2-NZ 3.33Å; D567-K754 PolarHBondContact OD2-NZ 2.99Å
568	Q	38	Very low	57.9	Low	169 Å²	169	52 Å²	52	79%	0.79	30%	0.298	S	S	*	.	S	Bend	trans	47	34.8	150	-62.1	-167.4	-31.6	0	0	118	I566 E789	I566-Q568 PolarHBondContact O-N 3.33Å; Q568-E789 PolarHBondContact NE2-OE2 3.02Å
569	S	35	Very low	56.8	Low	90 Å²	90	53.8 Å²	53.8	63%	0.629	30%	0.304	S	S	*	.	S	Bend	trans	-155.8	-21.3	156.4	59.3	0	0	0	0	113.5	D567 L571 S572	D567-S569 VanDerWaalsContact C-N 3.27Å; D567-S569 PolarHBondContact O-N 3.48Å; S569-L571 PolarHBondContact O-N 3.07Å; S569-S572 PolarHBondContact O-N 2.87Å
570	C	35	Very low	56.4	Low	26 Å²	26	56.8 Å²	56.8	18%	0.176	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	22.1	-175.9	-57	0	0	0	0	116.2	S565 H692	S565-C570 VanDerWaalsContact O-CB 3.29Å; S565-C570 WeakPolarHBondContact O-CB 3.27Å; S565-C570 PolarHBondContact O-SG 2.69Å; S565-C570 VanDerWaalsContact O-SG 3.36Å; C570-H692 PolarHBondContact O-CD2 3.33Å; C570-H692 PolarHBondContact O-NE2 2.57Å; C570-H692 VanDerWaalsContact O-NE2 3.14Å
571	L	32.9	Very low	55.9	Low	133 Å²	133	57.5 Å²	57.5	70%	0.696	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0.1	167.2	-74	171	0	0	0	112.6	S569 L793	S569-L571 PolarHBondContact O-N 3.07Å; L571-L793 HydrophobicContact CD2-CD2 4.14Å
572	S	29.5	Very low	55.9	Low	84 Å²	84	61.5 Å²	61.5	59%	0.587	35%	0.35	S	S	*	.	S	Bend	trans	-156	17.9	-178.4	-69.7	0	0	0	0	114.7	S569 L577	S569-S572 PolarHBondContact O-N 2.87Å; S572-L577 VanDerWaalsContact C-CB 3.43Å; S572-L577 WeakPolarHBondContact O-CB 3.36Å
573	G	30	Very low	55.9	Low	17 Å²	17	60.8 Å²	60.8	18%	0.175	35%	0.347	C	S	.	.			trans	-103.4	-83.4	-158.7	0	0	0	0	0	118.5	L577	G573-L577 CarbonylContact O-C 3.55Å; G573-L577 VanDerWaalsContact O-C 3.26Å; G573-L577 WeakPolarHBondContact O-CB 3.44Å
574	L	34.8	Very low	56.2	Low	85 Å²	85	63.5 Å²	63.5	45%	0.445	36%	0.358	S	S	.	.	S	Bend	trans	-146.5	110	-146.1	-56.2	170.2	0	0	0	111	H692	L574-H692 PolarHBondContact N-CE1 2.96Å; L574-H692 VanDerWaalsContact N-CE1 3.34Å; L574-H692 PolarHBondContact O-CE1 2.93Å; L574-H692 PolarHBondContact O-ND1 3.4Å
575	C	33.9	Very low	56.9	Low	73 Å²	73	61.7 Å²	61.7	49%	0.493	35%	0.347	S	S	.	.	S	Bend	cis	-130.4	9.6	42.1	-61.5	0	0	0	0	115.7
576	F	33.6	Very low	57.8	Low	121 Å²	121	61.5 Å²	61.5	53%	0.531	34%	0.34	S	S	.	.	S	Bend	trans	-114.2	-7.5	174.3	-56.8	-72.7	0	0	0	113.8	V685	F576-V685 HydrophobicContact CE1-CG2 4.41Å
577	L	43.4	Very low	58.7	Low	64 Å²	64	64 Å²	64	34%	0.335	35%	0.35	S	S	.	.	S	Bend	trans	-100.7	-178.2	-170.3	-51.6	123.8	0	0	0	110.8	S572 G573 R579	S572-L577 VanDerWaalsContact C-CB 3.43Å; S572-L577 WeakPolarHBondContact O-CB 3.36Å; G573-L577 CarbonylContact O-C 3.55Å; G573-L577 VanDerWaalsContact O-C 3.26Å; G573-L577 WeakPolarHBondContact O-CB 3.44Å; L577-R579 PolarHBondContact O-N 3.46Å
578	G	52.7	Low	59.8	Low	23 Å²	23	63.3 Å²	63.3	24%	0.237	35%	0.346	C	S	.	.			trans	-86.8	109.7	-158.4	0	0	0	0	0	114.8	L607	G578-L607 CarbonylContact C-O 3.55Å; G578-L607 WeakPolarHBondContact CA-O 3.25Å
579	R	72.4	Confident	61.2	Low	37 Å²	37	57.1 Å²	57.1	14%	0.14	32%	0.321	C	S	.	.			trans	-71.5	129.4	166.4	-167.3	172.4	-177.2	82.8	1.2	110.1	L577 L607 Q671 W672	L577-R579 PolarHBondContact O-N 3.46Å; R579-L607 HydrophobicContact CB-CB 4.25Å; R579-L607 HydrophobicContact CB-CD2 4.33Å; R579-L607 WeakPolarHBondContact O-CB 3.43Å; R579-L607 PolarHBondContact O-N 3.08Å; R579-Q671 VanDerWaalsContact CZ-CB 3.41Å; R579-Q671 VanDerWaalsContact CZ-OE1 3.25Å; R579-W672 HydrophobicContact CB-CE3 4.38Å; R579-W672 HydrophobicContact CB-CH2 4.32Å; R579-W672 HydrophobicContact CB-CZ3 4.14Å; R579-W672 VanDerWaalsContact CD-CD2 3.42Å; R579-W672 HydrophobicContact CG-CD2 3.96Å; R579-W672 HydrophobicContact CG-CE3 4.03Å; R579-W672 HydrophobicContact CG-CH2 3.98Å; R579-W672 HydrophobicContact CG-CZ2 3.9Å; R579-W672 HydrophobicContact CG-CZ3 4.04Å; R579-W672 VanDerWaalsContact NE-CG 3.26Å; R579-W672 WeakPolarHBondContact O-CH2 3.21Å
580	S	84.9	Confident	62.4	Low	63 Å²	63	58.5 Å²	58.5	44%	0.441	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.7	176.1	62.9	0	0	0	0	112.2	Y604 F605	S580-Y604 WeakPolarHBondContact CB-OH 3.41Å; S580-Y604 PolarHBondContact OG-OH 3.18Å; S580-F605 WeakPolarHBondContact CA-O 3.16Å; S580-F605 WeakPolarHBondContact CB-O 3.33Å
581	G	82	Confident	63.3	Low	15 Å²	15	66.2 Å²	66.2	16%	0.155	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	169.2	-174.6	0	0	0	0	0	112.4	Y604 F605	G581-Y604 WeakPolarHBondContact O-CD2 3.23Å; G581-F605 PolarHBondContact N-O 3.49Å; G581-F605 PolarHBondContact O-N 2.88Å
582	F	89.5	Confident	63.9	Low	85 Å²	85	67.9 Å²	67.9	37%	0.373	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134	170.6	-70.7	-85.4	0	0	0	110	Q602 D603 Y604	F582-Q602 HydrophobicContact CB-CG 4.15Å; F582-Q602 HydrophobicContact CD1-CG 4.12Å; F582-D603 WeakPolarHBondContact CA-O 3.35Å; F582-Y604 HydrophobicContact CD1-CD2 4.09Å; F582-Y604 AromaticContact CD2-CD2 3.86Å; F582-Y604 HydrophobicContact CD2-CD2 3.86Å; F582-Y604 HydrophobicContact CD2-CE2 4.39Å; F582-Y604 HydrophobicContact CE1-CD2 4.08Å; F582-Y604 HydrophobicContact CE1-CG 4.36Å; F582-Y604 AromaticContact CE2-CD2 3.82Å; F582-Y604 HydrophobicContact CE2-CD2 3.82Å; F582-Y604 HydrophobicContact CE2-CE2 4.32Å; F582-Y604 AromaticContact CG-CD2 3.99Å; F582-Y604 HydrophobicContact CG-CD2 3.99Å; F582-Y604 AromaticContact CZ-CD2 3.94Å; F582-Y604 HydrophobicContact CZ-CD2 3.94Å; F582-Y604 HydrophobicContact CZ-CG 4.45Å
583	L	90.8	Very high	64.8	Low	1 Å²	1	70.9 Å²	70.9	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.8	171	-65.6	175.3	0	0	0	108.9	C585 Q602 D603 F605 F661 C663 W672	L583-C585 PolarHBondContact O-N 3.41Å; L583-Q602 WeakPolarHBondContact O-CA 3.23Å; L583-D603 PolarHBondContact N-O 3.47Å; L583-D603 PolarHBondContact O-N 3.36Å; L583-F605 HydrophobicContact CB-CD2 3.77Å; L583-F605 HydrophobicContact CB-CE2 4.05Å; L583-F605 HydrophobicContact CD1-CB 4.34Å; L583-F605 HydrophobicContact CD1-CD2 4.07Å; L583-F605 HydrophobicContact CD1-CG 4.24Å; L583-F605 HydrophobicContact CG-CD2 4.18Å; L583-F661 HydrophobicContact CB-CD1 4.06Å; L583-F661 HydrophobicContact CD1-CD1 3.49Å; L583-F661 VanDerWaalsContact CD1-CD1 3.49Å; L583-F661 HydrophobicContact CD1-CE1 3.94Å; L583-F661 HydrophobicContact CD1-CG 4.24Å; L583-F661 HydrophobicContact CG-CD1 4.39Å; L583-C663 WeakPolarHBondContact CD2-SG 3.39Å; L583-W672 HydrophobicContact CD1-CD2 3.9Å; L583-W672 HydrophobicContact CD1-CE3 4.19Å; L583-W672 HydrophobicContact CD1-CG 4.34Å; L583-W672 HydrophobicContact CD1-CH2 4.37Å; L583-W672 HydrophobicContact CD1-CZ2 4.09Å; L583-W672 HydrophobicContact CD1-CZ3 4.42Å; L583-W672 HydrophobicContact CD2-CG 4.43Å; L583-W672 HydrophobicContact CG-CZ2 4.27Å
584	Y	92	Very high	65.5	Low	88 Å²	88	80.5 Å²	80.5	35%	0.345	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.3	158.5	-67.8	-85.4	0	0	0	107	Q602 Y644 F661 A662	Y584-Q602 HydrophobicContact CD1-CB 4.01Å; Y584-Q602 HydrophobicContact CE1-CB 3.89Å; Y584-Q602 HydrophobicContact CE1-CG 4.46Å; Y584-Y644 HydrophobicContact CD1-CE1 4.09Å; Y584-Y644 AromaticContact CD1-CZ 3.91Å; Y584-Y644 WeakPolarHBondContact CD1-OH 3.24Å; Y584-Y644 AromaticContact CD2-CE1 3.68Å; Y584-Y644 HydrophobicContact CD2-CE1 3.68Å; Y584-Y644 HydrophobicContact CE1-CE1 4.48Å; Y584-Y644 WeakPolarHBondContact CE1-OH 3.44Å; Y584-Y644 HydrophobicContact CE2-CE1 4.12Å; Y584-Y644 AromaticContact CG-CE1 3.66Å; Y584-Y644 HydrophobicContact CG-CE1 3.66Å; Y584-Y644 AromaticContact CG-CZ 3.86Å; Y584-F661 CarbonylContact O-C 3.55Å; Y584-F661 VanDerWaalsContact O-CA 3.27Å; Y584-F661 WeakPolarHBondContact O-CA 3.41Å; Y584-A662 PolarHBondContact N-O 3.08Å; Y584-A662 PolarHBondContact O-N 3.23Å
585	C	91.4	Very high	66.3	Low	9 Å²	9	80.8 Å²	80.8	6%	0.061	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151	178.4	73.8	0	0	0	0	111.4	L583 T601 F605 Q660 F661	L583-C585 PolarHBondContact O-N 3.41Å; C585-T601 PolarHBondContact N-O 3.09Å; C585-T601 PolarHBondContact O-N 2.84Å; C585-T601 PolarHBondContact O-OG1 3Å; C585-T601 PolarHBondContact SG-O 2.92Å; C585-F605 HydrophobicContact CB-CE2 3.91Å; C585-F605 HydrophobicContact CB-CZ 3.83Å; C585-Q660 CarbonylContact C-O 3.59Å; C585-Q660 VanDerWaalsContact CA-O 3.25Å; C585-Q660 WeakPolarHBondContact CA-O 3.37Å; C585-F661 HydrophobicContact CB-CD1 4.06Å; C585-F661 HydrophobicContact CB-CE1 4.25Å
586	R	89.3	Confident	67.1	Low	38 Å²	38	87.2 Å²	87.2	14%	0.143	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.2	166.6	66	-179.2	-171.7	-157.8	-3.4	110.3	L588 D598 W600 D641 Q660	R586-L588 HydrophobicContact CG-CD1 4.13Å; R586-D598 HydrophobicContact CB-CB 4.47Å; R586-D598 WeakPolarHBondContact CB-O 3.21Å; R586-W600 HydrophobicContact CB-CD2 4.34Å; R586-W600 HydrophobicContact CB-CE3 4.14Å; R586-W600 HydrophobicContact CG-CD2 4.01Å; R586-W600 HydrophobicContact CG-CE3 3.89Å; R586-W600 HydrophobicContact CG-CH2 4.21Å; R586-W600 HydrophobicContact CG-CZ2 4.31Å; R586-W600 HydrophobicContact CG-CZ3 4Å; R586-D641 IonicContact CZ-OD2 2.69Å; R586-D641 IonicContact NH1-OD2 2.73Å; R586-D641 PolarHBondContact NH1-OD2 2.77Å; R586-D641 IonicContact NH2-OD2 3.26Å; R586-D641 PolarHBondContact NH2-OD2 3.03Å; R586-Q660 HydrophobicContact CG-CB 3.98Å; R586-Q660 VanDerWaalsContact CZ-OE1 3.23Å; R586-Q660 PolarHBondContact N-O 2.98Å; R586-Q660 PolarHBondContact O-N 3.49Å
587	K	85.3	Confident	68.4	Low	73 Å²	73	83.2 Å²	83.2	32%	0.317	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.8	177.4	-64.5	170	178.7	166.2	0	109.9	D598 Y627 L659	K587-D598 PolarHBondContact O-N 2.98Å; K587-Y627 WeakPolarHBondContact CE-OH 3.36Å; K587-Y627 PolarHBondContact NZ-OH 3.46Å; K587-L659 HydrophobicContact CD-CD2 4.47Å; K587-L659 HydrophobicContact CG-CD2 3.84Å
588	L	79.2	Confident	69.7	Low	35 Å²	35	84.7 Å²	84.7	18%	0.183	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.1	172.4	-73.5	85.5	0	0	0	109.8	R586 A597 T657 A658 Q660	R586-L588 HydrophobicContact CG-CD1 4.13Å; L588-A597 HydrophobicContact CD1-CB 4.04Å; L588-A597 HydrophobicContact CD2-CB 4.18Å; L588-A597 HydrophobicContact CG-CB 3.74Å; L588-T657 WeakPolarHBondContact O-CA 3.19Å; L588-A658 PolarHBondContact N-O 2.86Å; L588-A658 PolarHBondContact O-N 3.12Å; L588-A658 VanDerWaalsContact O-N 3.1Å; L588-Q660 HydrophobicContact CD1-CB 4.1Å; L588-Q660 HydrophobicContact CD1-CG 3.69Å
589	S	67.9	Low	71.1	Confident	40 Å²	40	91.8 Å²	91.8	28%	0.28	43%	0.431	S	S	.	.			trans	-89.3	113.6	166.2	64.9	0	0	0	0	109.8	Y591	S589-Y591 PolarHBondContact O-N 2.85Å
590	K	59.2	Low	71.8	Confident	118 Å²	118	92.2 Å²	92.2	51%	0.513	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.9	178.2	-66.4	-177.3	-168.8	140.3	0	113.3	R592 G656	K590-R592 PolarHBondContact O-N 2.93Å; K590-R592 VanDerWaalsContact O-N 3.08Å; K590-G656 WeakPolarHBondContact CD-O 3.2Å; K590-G656 WeakPolarHBondContact CE-O 3.33Å; K590-G656 WeakPolarHBondContact CG-O 3.45Å; K590-G656 PolarHBondContact NZ-O 3.25Å
591	Y	54.2	Low	72	Confident	189 Å²	189	92.5 Å²	92.5	74%	0.741	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	27.9	-178.3	-62	-55.2	0	0	0	116.2	S589 D655	S589-Y591 PolarHBondContact O-N 2.85Å; Y591-D655 WeakPolarHBondContact CD2-O 3.49Å; Y591-D655 HydrophobicContact CE2-CB 4.24Å; Y591-D655 WeakPolarHBondContact CE2-O 3.33Å
592	R	46.4	Very low	72.5	Confident	167 Å²	167	96.4 Å²	96.4	63%	0.63	45%	0.446	S	S	*	.	S	Bend	trans	-119.7	127.4	169.4	-64.5	-171.3	-168.1	-113.5	6	110.3	K590 W594	K590-R592 PolarHBondContact O-N 2.93Å; K590-R592 VanDerWaalsContact O-N 3.08Å; R592-W594 VanDerWaalsContact CB-O 3.29Å; R592-W594 WeakPolarHBondContact CB-O 3.4Å; R592-W594 CarbonylContact O-C 3.52Å; R592-W594 VanDerWaalsContact O-C 3.27Å; R592-W594 PolarHBondContact O-N 2.68Å
593	V	47.7	Very low	72.5	Confident	148 Å²	148	92.6 Å²	92.6	90%	0.897	43%	0.429	S	S	*	.	S	Bend	trans	-53.2	-25.3	176.9	-176.6	0	0	0	0	112.5
594	W	43.9	Very low	72.4	Confident	218 Å²	218	94.5 Å²	94.5	83%	0.826	44%	0.437	S	S	*	.	S	Bend	trans	-118.3	108.7	158.4	-75.5	76.2	0	0	0	108.4	R592 R596	R592-W594 VanDerWaalsContact CB-O 3.29Å; R592-W594 WeakPolarHBondContact CB-O 3.4Å; R592-W594 CarbonylContact O-C 3.52Å; R592-W594 VanDerWaalsContact O-C 3.27Å; R592-W594 PolarHBondContact O-N 2.68Å; W594-R596 VanDerWaalsContact C-N 3.29Å; W594-R596 PolarHBondContact O-N 2.93Å
595	P	51.8	Low	72.3	Confident	91 Å²	91	90.4 Å²	90.4	59%	0.591	42%	0.42	S	S	*	.			trans	-73.9	85.4	177.7	30.1	-34.1	0	0	0	109.5	A597	P595-A597 PolarHBondContact O-N 2.94Å
596	R	51.8	Low	72.1	Confident	209 Å²	209	91.4 Å²	91.4	79%	0.789	43%	0.425	S	S	*	.			trans	-69.6	107	159.5	-68.3	-175.9	-179.2	169	0.3	106.9	W594	W594-R596 VanDerWaalsContact C-N 3.29Å; W594-R596 PolarHBondContact O-N 2.93Å
597	A	60.3	Low	71.8	Confident	36 Å²	36	89.6 Å²	89.6	30%	0.298	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-61.9	147.7	158.2	0	0	0	0	0	108.5	L588 P595	L588-A597 HydrophobicContact CD1-CB 4.04Å; L588-A597 HydrophobicContact CD2-CB 4.18Å; L588-A597 HydrophobicContact CG-CB 3.74Å; P595-A597 PolarHBondContact O-N 2.94Å
598	D	71.5	Confident	71.3	Confident	96 Å²	96	94.5 Å²	94.5	51%	0.513	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-62.6	158	170.1	-69.3	-28.9	0	0	0	110.4	R586 K587	R586-D598 HydrophobicContact CB-CB 4.47Å; R586-D598 WeakPolarHBondContact CB-O 3.21Å; K587-D598 PolarHBondContact O-N 2.98Å
599	E	80.9	Confident	71	Confident	172 Å²	172	94.2 Å²	94.2	80%	0.804	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-62.1	145.8	172.6	-66.1	-178.3	173.1	0	0	110.1	T601	E599-T601 PolarHBondContact O-N 3.04Å; E599-T601 VanDerWaalsContact O-N 3.08Å
600	W	87.9	Confident	71.7	Confident	45 Å²	45	96.5 Å²	96.5	17%	0.17	45%	0.447	C	S	.	.			trans	-66.2	109.2	179.1	-76.9	111.4	0	0	0	110.4	R586 D641 Y644 Q660 A662	R586-W600 HydrophobicContact CB-CD2 4.34Å; R586-W600 HydrophobicContact CB-CE3 4.14Å; R586-W600 HydrophobicContact CG-CD2 4.01Å; R586-W600 HydrophobicContact CG-CE3 3.89Å; R586-W600 HydrophobicContact CG-CH2 4.21Å; R586-W600 HydrophobicContact CG-CZ2 4.31Å; R586-W600 HydrophobicContact CG-CZ3 4Å; W600-D641 HydrophobicContact CZ2-CB 4.42Å; W600-Y644 HydrophobicContact CB-CE2 4.1Å; W600-Y644 AromaticContact CD1-CD2 3.96Å; W600-Y644 AromaticContact CD1-CE2 3.43Å; W600-Y644 VanDerWaalsContact CD1-CE2 3.43Å; W600-Y644 HydrophobicContact CD2-CD2 4.05Å; W600-Y644 AromaticContact CD2-CE2 3.76Å; W600-Y644 HydrophobicContact CD2-CE2 3.76Å; W600-Y644 AromaticContact CE2-CD2 3.58Å; W600-Y644 AromaticContact CE2-CE2 3.74Å; W600-Y644 HydrophobicContact CG-CD2 4.25Å; W600-Y644 AromaticContact CG-CE2 3.55Å; W600-Y644 HydrophobicContact CG-CE2 3.55Å; W600-Y644 AromaticContact CZ2-CD2 3.96Å; W600-Y644 HydrophobicContact CZ2-CD2 3.96Å; W600-Y644 AromaticContact NE1-CD2 3.5Å; W600-Y644 AromaticContact NE1-CE2 3.5Å; W600-Q660 HydrophobicContact CH2-CB 4.06Å; W600-Q660 HydrophobicContact CZ3-CB 4.49Å; W600-Q660 WeakPolarHBondContact CZ3-O 3.28Å; W600-A662 HydrophobicContact CH2-CB 3.8Å; W600-A662 HydrophobicContact CZ2-CB 4.42Å; W600-A662 HydrophobicContact CZ3-CB 3.88Å
601	T	89.4	Confident	73.1	Confident	69 Å²	69	95.5 Å²	95.5	42%	0.423	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.5	176.4	53.1	0	0	0	0	110.6	C585 E599 D603	C585-T601 PolarHBondContact N-O 3.09Å; C585-T601 PolarHBondContact O-N 2.84Å; C585-T601 PolarHBondContact O-OG1 3Å; C585-T601 PolarHBondContact SG-O 2.92Å; E599-T601 PolarHBondContact O-N 3.04Å; E599-T601 VanDerWaalsContact O-N 3.08Å; T601-D603 PolarHBondContact O-N 3.4Å
602	Q	91.4	Very high	74.8	Confident	98 Å²	98	86.6 Å²	86.6	46%	0.458	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	111.8	170.2	-174.3	-178.9	-0.8	0	0	109	F582 L583 Y584	F582-Q602 HydrophobicContact CB-CG 4.15Å; F582-Q602 HydrophobicContact CD1-CG 4.12Å; L583-Q602 WeakPolarHBondContact O-CA 3.23Å; Y584-Q602 HydrophobicContact CD1-CB 4.01Å; Y584-Q602 HydrophobicContact CE1-CB 3.89Å; Y584-Q602 HydrophobicContact CE1-CG 4.46Å
603	D	91.4	Very high	76.8	Confident	4 Å²	4	82.4 Å²	82.4	2%	0.021	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	157.3	177.1	-94.8	1.4	0	0	0	109.5	F582 L583 T601 F605 Q614 F615 K624	F582-D603 WeakPolarHBondContact CA-O 3.35Å; L583-D603 PolarHBondContact N-O 3.47Å; L583-D603 PolarHBondContact O-N 3.36Å; T601-D603 PolarHBondContact O-N 3.4Å; D603-F605 HydrophobicContact CB-CD2 4.34Å; D603-F605 HydrophobicContact CB-CE2 3.65Å; D603-F605 HydrophobicContact CB-CZ 4.2Å; D603-Q614 HydrophobicContact CB-CG 4.29Å; D603-Q614 WeakPolarHBondContact OD2-CG 3.44Å; D603-Q614 PolarHBondContact OD2-NE2 2.96Å; D603-F615 VanDerWaalsContact CB-O 3.29Å; D603-F615 WeakPolarHBondContact CB-O 3.43Å; D603-F615 VanDerWaalsContact CG-O 3.28Å; D603-K624 IonicContact OD1-NZ 2.79Å; D603-K624 PolarHBondContact OD1-NZ 2.77Å; D603-K624 WeakPolarHBondContact OD2-CD 3.28Å; D603-K624 IonicContact OD2-NZ 3.53Å
604	Y	88.3	Confident	78.9	Confident	42 Å²	42	75.7 Å²	75.7	17%	0.165	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.6	175.6	-172.9	-108.1	0	0	0	110.6	S580 G581 F582 I606 F615	S580-Y604 WeakPolarHBondContact CB-OH 3.41Å; S580-Y604 PolarHBondContact OG-OH 3.18Å; G581-Y604 WeakPolarHBondContact O-CD2 3.23Å; F582-Y604 HydrophobicContact CD1-CD2 4.09Å; F582-Y604 AromaticContact CD2-CD2 3.86Å; F582-Y604 HydrophobicContact CD2-CD2 3.86Å; F582-Y604 HydrophobicContact CD2-CE2 4.39Å; F582-Y604 HydrophobicContact CE1-CD2 4.08Å; F582-Y604 HydrophobicContact CE1-CG 4.36Å; F582-Y604 AromaticContact CE2-CD2 3.82Å; F582-Y604 HydrophobicContact CE2-CD2 3.82Å; F582-Y604 HydrophobicContact CE2-CE2 4.32Å; F582-Y604 AromaticContact CG-CD2 3.99Å; F582-Y604 HydrophobicContact CG-CD2 3.99Å; F582-Y604 AromaticContact CZ-CD2 3.94Å; F582-Y604 HydrophobicContact CZ-CD2 3.94Å; F582-Y604 HydrophobicContact CZ-CG 4.45Å; Y604-I606 HydrophobicContact CD1-CD1 4.41Å; Y604-I606 HydrophobicContact CD1-CG1 4.07Å; Y604-I606 HydrophobicContact CE1-CD1 3.83Å; Y604-I606 HydrophobicContact CE1-CG1 3.6Å; Y604-F615 HydrophobicContact CD1-CD2 4.42Å; Y604-F615 PolarHBondContact N-O 3.06Å; Y604-F615 PolarHBondContact O-N 3.28Å
605	F	89.6	Confident	81.1	Confident	1 Å²	1	66.6 Å²	66.6	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.5	-179	-72.5	-93.3	0	0	0	111.4	S580 G581 L583 C585 D603 L612 Y613 Q614 F661 W672	S580-F605 WeakPolarHBondContact CA-O 3.16Å; S580-F605 WeakPolarHBondContact CB-O 3.33Å; G581-F605 PolarHBondContact N-O 3.49Å; G581-F605 PolarHBondContact O-N 2.88Å; L583-F605 HydrophobicContact CB-CD2 3.77Å; L583-F605 HydrophobicContact CB-CE2 4.05Å; L583-F605 HydrophobicContact CD1-CB 4.34Å; L583-F605 HydrophobicContact CD1-CD2 4.07Å; L583-F605 HydrophobicContact CD1-CG 4.24Å; L583-F605 HydrophobicContact CG-CD2 4.18Å; C585-F605 HydrophobicContact CB-CE2 3.91Å; C585-F605 HydrophobicContact CB-CZ 3.83Å; D603-F605 HydrophobicContact CB-CD2 4.34Å; D603-F605 HydrophobicContact CB-CE2 3.65Å; D603-F605 HydrophobicContact CB-CZ 4.2Å; F605-L612 HydrophobicContact CB-CD1 4.29Å; F605-L612 HydrophobicContact CD1-CD1 4.1Å; F605-L612 HydrophobicContact CD1-CD2 4.37Å; F605-L612 HydrophobicContact CD1-CG 4.16Å; F605-Y613 WeakPolarHBondContact CA-O 3.34Å; F605-Q614 HydrophobicContact CD1-CB 4.04Å; F605-Q614 HydrophobicContact CD1-CG 4.31Å; F605-Q614 HydrophobicContact CE1-CB 3.6Å; F605-Q614 HydrophobicContact CE1-CG 3.56Å; F605-Q614 HydrophobicContact CE2-CG 4.37Å; F605-Q614 HydrophobicContact CZ-CB 4.18Å; F605-Q614 HydrophobicContact CZ-CG 3.59Å; F605-F661 HydrophobicContact CD1-CE1 4.08Å; F605-F661 HydrophobicContact CD2-CE1 4.4Å; F605-F661 AromaticContact CE1-CE1 3.66Å; F605-F661 HydrophobicContact CE1-CE1 3.66Å; F605-F661 HydrophobicContact CE1-CZ 4.21Å; F605-F661 HydrophobicContact CE2-CD1 4.47Å; F605-F661 HydrophobicContact CE2-CE1 4.01Å; F605-F661 HydrophobicContact CG-CE1 4.43Å; F605-F661 HydrophobicContact CZ-CD1 4.44Å; F605-F661 AromaticContact CZ-CE1 3.62Å; F605-F661 HydrophobicContact CZ-CE1 3.62Å; F605-F661 HydrophobicContact CZ-CZ 4.49Å; F605-W672 HydrophobicContact CB-CH2 3.85Å; F605-W672 HydrophobicContact CB-CZ3 4.34Å
606	I	86.6	Confident	82.8	Confident	31 Å²	31	68 Å²	68	16%	0.159	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	107.8	170.9	-51	179.9	0	0	0	107.7	Y604 R608 Y613 F615	Y604-I606 HydrophobicContact CD1-CD1 4.41Å; Y604-I606 HydrophobicContact CD1-CG1 4.07Å; Y604-I606 HydrophobicContact CE1-CD1 3.83Å; Y604-I606 HydrophobicContact CE1-CG1 3.6Å; I606-R608 HydrophobicContact CG2-CG 3.99Å; I606-Y613 PolarHBondContact N-O 3.37Å; I606-Y613 WeakPolarHBondContact O-CB 3.43Å; I606-Y613 WeakPolarHBondContact O-CD2 3.46Å; I606-Y613 PolarHBondContact O-N 2.79Å; I606-F615 HydrophobicContact CB-CE2 4.28Å; I606-F615 HydrophobicContact CD1-CD2 4.18Å; I606-F615 HydrophobicContact CD1-CE2 3.57Å; I606-F615 HydrophobicContact CD1-CZ 4.18Å; I606-F615 HydrophobicContact CG1-CD2 4.19Å; I606-F615 HydrophobicContact CG1-CE2 3.85Å
607	L	84	Confident	84.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	136.7	159.6	177.4	58.3	0	0	0	108.5	G578 R579 G609 L612 L629 W672 N679	G578-L607 CarbonylContact C-O 3.55Å; G578-L607 WeakPolarHBondContact CA-O 3.25Å; R579-L607 HydrophobicContact CB-CB 4.25Å; R579-L607 HydrophobicContact CB-CD2 4.33Å; R579-L607 WeakPolarHBondContact O-CB 3.43Å; R579-L607 PolarHBondContact O-N 3.08Å; L607-G609 VanDerWaalsContact CD1-O 3.23Å; L607-G609 WeakPolarHBondContact CD1-O 3.27Å; L607-L612 HydrophobicContact CB-CD1 4.1Å; L607-L629 HydrophobicContact CD1-CD1 3.4Å; L607-L629 VanDerWaalsContact CD1-CD1 3.4Å; L607-L629 HydrophobicContact CD1-CG 4.49Å; L607-W672 HydrophobicContact CB-CZ3 4.27Å; L607-N679 HydrophobicContact CD1-CB 4.37Å
608	R	74.7	Confident	85.3	Confident	175 Å²	175	62.9 Å²	62.9	66%	0.66	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149	108.8	168.1	-89.3	-177.2	-180	176.3	-1	109.7	I606 K611 Y613	I606-R608 HydrophobicContact CG2-CG 3.99Å; R608-K611 PolarHBondContact N-O 2.91Å; R608-K611 PolarHBondContact O-N 3.31Å; R608-Y613 HydrophobicContact CB-CE2 4.21Å
609	G	72.6	Confident	85.6	Confident	30 Å²	30	62.4 Å²	62.4	31%	0.309	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	-141.3	-168.2	0	0	0	0	0	110.9	L607 K611 N679	L607-G609 VanDerWaalsContact CD1-O 3.23Å; L607-G609 WeakPolarHBondContact CD1-O 3.27Å; G609-K611 PolarHBondContact O-N 3.47Å; G609-N679 WeakPolarHBondContact CA-OD1 3.17Å; G609-N679 PolarHBondContact O-OD1 3.2Å; G609-N679 VanDerWaalsContact O-OD1 3.14Å
610	Q	82.9	Confident	85.4	Confident	87 Å²	87	56.2 Å²	56.2	41%	0.407	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	12.2	-179.3	-58.9	174.9	12.1	0	0	114.7	N628 L629	Q610-N628 PolarHBondContact O-OD1 3.3Å; Q610-L629 WeakPolarHBondContact O-CB 3.19Å; Q610-L629 PolarHBondContact O-N 2.75Å
611	K	87.4	Confident	84.9	Confident	97 Å²	97	63.8 Å²	63.8	42%	0.422	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128	-178	-70	-177	-179.9	-180	0	112.9	R608 G609 Y613 V626 Y627	R608-K611 PolarHBondContact N-O 2.91Å; R608-K611 PolarHBondContact O-N 3.31Å; G609-K611 PolarHBondContact O-N 3.47Å; K611-Y613 HydrophobicContact CB-CD2 4.24Å; K611-Y613 HydrophobicContact CB-CE2 3.54Å; K611-V626 HydrophobicContact CB-CG1 4.02Å; K611-V626 HydrophobicContact CD-CG1 4.35Å; K611-V626 HydrophobicContact CG-CG1 4.39Å; K611-Y627 WeakPolarHBondContact CA-O 3.42Å
612	L	89.9	Confident	84.4	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.4	173.6	179.3	65.6	0	0	0	109.6	F605 L607 V626 Y627 L629 F661 W672 I676	F605-L612 HydrophobicContact CB-CD1 4.29Å; F605-L612 HydrophobicContact CD1-CD1 4.1Å; F605-L612 HydrophobicContact CD1-CD2 4.37Å; F605-L612 HydrophobicContact CD1-CG 4.16Å; L607-L612 HydrophobicContact CB-CD1 4.1Å; L612-V626 CarbonylContact O-C 3.4Å; L612-V626 WeakPolarHBondContact O-CA 3.28Å; L612-Y627 HydrophobicContact CD2-CD2 4.39Å; L612-Y627 HydrophobicContact CG-CD2 4.41Å; L612-Y627 PolarHBondContact N-O 3.04Å; L612-Y627 WeakPolarHBondContact O-CD2 3.18Å; L612-Y627 PolarHBondContact O-N 2.79Å; L612-L629 HydrophobicContact CB-CD2 3.93Å; L612-L629 HydrophobicContact CB-CG 4.33Å; L612-F661 HydrophobicContact CD2-CZ 4.07Å; L612-W672 HydrophobicContact CD1-CZ3 4.13Å; L612-I676 HydrophobicContact CD2-CD1 4.38Å
613	Y	89.4	Confident	83.8	Confident	78 Å²	78	63.1 Å²	63.1	31%	0.306	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.8	179.4	-58.5	-108.2	0	0	0	109.8	F605 I606 R608 K611 V626	F605-Y613 WeakPolarHBondContact CA-O 3.34Å; I606-Y613 PolarHBondContact N-O 3.37Å; I606-Y613 WeakPolarHBondContact O-CB 3.43Å; I606-Y613 WeakPolarHBondContact O-CD2 3.46Å; I606-Y613 PolarHBondContact O-N 2.79Å; R608-Y613 HydrophobicContact CB-CE2 4.21Å; K611-Y613 HydrophobicContact CB-CD2 4.24Å; K611-Y613 HydrophobicContact CB-CE2 3.54Å; Y613-V626 HydrophobicContact CD1-CB 4.31Å; Y613-V626 HydrophobicContact CD1-CG1 3.91Å; Y613-V626 HydrophobicContact CD1-CG2 3.44Å; Y613-V626 VanDerWaalsContact CD1-CG2 3.44Å; Y613-V626 HydrophobicContact CD2-CG1 4.35Å; Y613-V626 HydrophobicContact CE1-CG1 3.95Å; Y613-V626 HydrophobicContact CE1-CG2 3.81Å; Y613-V626 HydrophobicContact CE2-CG1 4.38Å; Y613-V626 HydrophobicContact CG-CG1 4.1Å; Y613-V626 HydrophobicContact CG-CG2 4.17Å
614	Q	92.4	Very high	83.6	Confident	7 Å²	7	67.4 Å²	67.4	3%	0.033	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.1	178.5	-179.9	175.5	3.6	0	0	109.4	D603 F605 G623 K624 R625 Y627	D603-Q614 HydrophobicContact CB-CG 4.29Å; D603-Q614 WeakPolarHBondContact OD2-CG 3.44Å; D603-Q614 PolarHBondContact OD2-NE2 2.96Å; F605-Q614 HydrophobicContact CD1-CB 4.04Å; F605-Q614 HydrophobicContact CD1-CG 4.31Å; F605-Q614 HydrophobicContact CE1-CB 3.6Å; F605-Q614 HydrophobicContact CE1-CG 3.56Å; F605-Q614 HydrophobicContact CE2-CG 4.37Å; F605-Q614 HydrophobicContact CZ-CB 4.18Å; F605-Q614 HydrophobicContact CZ-CG 3.59Å; Q614-G623 CarbonylContact O-C 3.27Å; Q614-G623 WeakPolarHBondContact O-CA 2.88Å; Q614-K624 HydrophobicContact CG-CB 4.18Å; Q614-K624 PolarHBondContact O-N 3Å; Q614-R625 PolarHBondContact N-O 2.9Å; Q614-R625 PolarHBondContact O-N 2.89Å; Q614-Y627 HydrophobicContact CB-CE2 4.23Å; Q614-Y627 PolarHBondContact OE1-OH 2.85Å
615	F	88.7	Confident	83.6	Confident	27 Å²	27	70.1 Å²	70.1	12%	0.118	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.5	179.5	-59.9	-97.1	0	0	0	110.2	D603 Y604 I606 D617 C620	D603-F615 VanDerWaalsContact CB-O 3.29Å; D603-F615 WeakPolarHBondContact CB-O 3.43Å; D603-F615 VanDerWaalsContact CG-O 3.28Å; Y604-F615 HydrophobicContact CD1-CD2 4.42Å; Y604-F615 PolarHBondContact N-O 3.06Å; Y604-F615 PolarHBondContact O-N 3.28Å; I606-F615 HydrophobicContact CB-CE2 4.28Å; I606-F615 HydrophobicContact CD1-CD2 4.18Å; I606-F615 HydrophobicContact CD1-CE2 3.57Å; I606-F615 HydrophobicContact CD1-CZ 4.18Å; I606-F615 HydrophobicContact CG1-CD2 4.19Å; I606-F615 HydrophobicContact CG1-CE2 3.85Å; F615-D617 WeakPolarHBondContact CB-O 3.41Å; F615-C620 HydrophobicContact CB-CB 4.22Å; F615-C620 HydrophobicContact CD1-CB 4.09Å; F615-C620 VanDerWaalsContact CD1-O 3.31Å; F615-C620 WeakPolarHBondContact CD1-O 3.17Å
616	E	87.2	Confident	83.6	Confident	120 Å²	120	73 Å²	73	56%	0.561	38%	0.375	S	S	*	.	S	Bend	trans	-69.5	-43.4	175.1	-166.7	134	-125.8	0	0	111.9	K624	E616-K624 HydrophobicContact CB-CD 4.3Å; E616-K624 VanDerWaalsContact CD-CE 3.4Å; E616-K624 VanDerWaalsContact OE1-CE 3.23Å; E616-K624 WeakPolarHBondContact OE1-CE 3.29Å; E616-K624 IonicContact OE1-NZ 3.54Å; E616-K624 PolarHBondContact OE1-NZ 2.67Å
617	D	84.1	Confident	83.7	Confident	60 Å²	60	71.7 Å²	71.7	32%	0.321	37%	0.367	S	S	.	.	S	Bend	trans	-144.2	178.4	172.4	69.9	20.6	0	0	0	110.8	F615 S619 C620	F615-D617 WeakPolarHBondContact CB-O 3.41Å; D617-S619 VanDerWaalsContact CG-OG 3.28Å; D617-S619 PolarHBondContact O-N 3.07Å; D617-S619 VanDerWaalsContact OD1-CA 3.27Å; D617-S619 WeakPolarHBondContact OD1-CA 3.44Å; D617-S619 WeakPolarHBondContact OD1-CB 3.44Å; D617-S619 PolarHBondContact OD1-N 2.81Å; D617-S619 PolarHBondContact OD1-OG 3.32Å; D617-S619 PolarHBondContact OD2-OG 3.29Å; D617-S619 VanDerWaalsContact OD2-OG 3.08Å; D617-C620 PolarHBondContact OD1-N 2.96Å; D617-C620 PolarHBondContact OD1-SG 3.19Å
618	S	80.6	Confident	83.8	Confident	78 Å²	78	72.9 Å²	72.9	55%	0.545	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2	177.5	60.2	0	0	0	0	114.6
619	S	78.4	Confident	84.3	Confident	87 Å²	87	64.6 Å²	64.6	61%	0.608	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-20.5	176.4	86.8	0	0	0	0	113	D617 K621	D617-S619 VanDerWaalsContact CG-OG 3.28Å; D617-S619 PolarHBondContact O-N 3.07Å; D617-S619 VanDerWaalsContact OD1-CA 3.27Å; D617-S619 WeakPolarHBondContact OD1-CA 3.44Å; D617-S619 WeakPolarHBondContact OD1-CB 3.44Å; D617-S619 PolarHBondContact OD1-N 2.81Å; D617-S619 PolarHBondContact OD1-OG 3.32Å; D617-S619 PolarHBondContact OD2-OG 3.29Å; D617-S619 VanDerWaalsContact OD2-OG 3.08Å; S619-K621 PolarHBondContact O-N 2.98Å
620	C	77.7	Confident	84.6	Confident	41 Å²	41	68.9 Å²	68.9	28%	0.277	35%	0.349	S	S	.	.			trans	-60.4	118.5	-178.4	-77.1	0	0	0	0	112.9	F615 D617 V622	F615-C620 HydrophobicContact CB-CB 4.22Å; F615-C620 HydrophobicContact CD1-CB 4.09Å; F615-C620 VanDerWaalsContact CD1-O 3.31Å; F615-C620 WeakPolarHBondContact CD1-O 3.17Å; D617-C620 PolarHBondContact OD1-N 2.96Å; D617-C620 PolarHBondContact OD1-SG 3.19Å; C620-V622 VanDerWaalsContact C-N 3.26Å; C620-V622 PolarHBondContact O-N 2.71Å
621	K	75.7	Confident	84.6	Confident	205 Å²	205	71 Å²	71	89%	0.891	36%	0.359	S	S	*	.	S	Bend	trans	-78.7	-7.9	173.7	-63	-174.4	179.2	-177.8	0	113.9	S619	S619-K621 PolarHBondContact O-N 2.98Å
622	V	79.4	Confident	84.4	Confident	119 Å²	119	68.1 Å²	68.1	72%	0.721	35%	0.347	S	S	*	.	S	Bend	trans	-126.6	127.7	-179	-176.7	0	0	0	0	107.9	C620	C620-V622 VanDerWaalsContact C-N 3.26Å; C620-V622 PolarHBondContact O-N 2.71Å
623	G	78.6	Confident	84.1	Confident	34 Å²	34	68.5 Å²	68.5	35%	0.351	35%	0.35	S	S	.	.			trans	-79.8	144.4	177.2	0	0	0	0	0	112.4	Q614	Q614-G623 CarbonylContact O-C 3.27Å; Q614-G623 WeakPolarHBondContact O-CA 2.88Å
624	K	86.6	Confident	83.6	Confident	94 Å²	94	68.2 Å²	68.2	41%	0.409	36%	0.359	S	S	.	.	S	Bend	trans	-63.4	-38.7	169.3	-77.4	176.9	164.8	173.1	0	112	D603 Q614 E616	D603-K624 IonicContact OD1-NZ 2.79Å; D603-K624 PolarHBondContact OD1-NZ 2.77Å; D603-K624 WeakPolarHBondContact OD2-CD 3.28Å; D603-K624 IonicContact OD2-NZ 3.53Å; Q614-K624 HydrophobicContact CG-CB 4.18Å; Q614-K624 PolarHBondContact O-N 3Å; E616-K624 HydrophobicContact CB-CD 4.3Å; E616-K624 VanDerWaalsContact CD-CE 3.4Å; E616-K624 VanDerWaalsContact OE1-CE 3.23Å; E616-K624 WeakPolarHBondContact OE1-CE 3.29Å; E616-K624 IonicContact OE1-NZ 3.54Å; E616-K624 PolarHBondContact OE1-NZ 2.67Å
625	R	89.2	Confident	83.1	Confident	98 Å²	98	68.8 Å²	68.8	37%	0.37	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	160.5	175.5	-176.9	155.2	170.2	171.3	-11.1	110.4	Q614 Y627 E632	Q614-R625 PolarHBondContact N-O 2.9Å; Q614-R625 PolarHBondContact O-N 2.89Å; R625-Y627 HydrophobicContact CB-CE2 4.24Å; R625-Y627 VanDerWaalsContact CD-CE1 3.48Å; R625-Y627 HydrophobicContact CG-CD1 4.35Å; R625-Y627 HydrophobicContact CG-CD2 4.43Å; R625-Y627 HydrophobicContact CG-CE1 3.98Å; R625-Y627 HydrophobicContact CG-CE2 4.04Å; R625-E632 IonicContact CZ-OE2 2.96Å; R625-E632 IonicContact NE-OE2 3.14Å; R625-E632 IonicContact NH2-OE2 3.85Å; R625-E632 PolarHBondContact NH2-OE2 3.27Å
626	V	89.1	Confident	82.9	Confident	63 Å²	63	68.7 Å²	68.7	38%	0.382	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.4	161.5	-170.7	0	0	0	0	107.1	K611 L612 Y613	K611-V626 HydrophobicContact CB-CG1 4.02Å; K611-V626 HydrophobicContact CD-CG1 4.35Å; K611-V626 HydrophobicContact CG-CG1 4.39Å; L612-V626 CarbonylContact O-C 3.4Å; L612-V626 WeakPolarHBondContact O-CA 3.28Å; Y613-V626 HydrophobicContact CD1-CB 4.31Å; Y613-V626 HydrophobicContact CD1-CG1 3.91Å; Y613-V626 HydrophobicContact CD1-CG2 3.44Å; Y613-V626 VanDerWaalsContact CD1-CG2 3.44Å; Y613-V626 HydrophobicContact CD2-CG1 4.35Å; Y613-V626 HydrophobicContact CE1-CG1 3.95Å; Y613-V626 HydrophobicContact CE1-CG2 3.81Å; Y613-V626 HydrophobicContact CE2-CG1 4.38Å; Y613-V626 HydrophobicContact CG-CG1 4.1Å; Y613-V626 HydrophobicContact CG-CG2 4.17Å
627	Y	88.5	Confident	82.8	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.008	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.6	172.9	-51.5	-91.6	0	0	0	109	K587 K611 L612 Q614 R625 E632 L652 L659	K587-Y627 WeakPolarHBondContact CE-OH 3.36Å; K587-Y627 PolarHBondContact NZ-OH 3.46Å; K611-Y627 WeakPolarHBondContact CA-O 3.42Å; L612-Y627 HydrophobicContact CD2-CD2 4.39Å; L612-Y627 HydrophobicContact CG-CD2 4.41Å; L612-Y627 PolarHBondContact N-O 3.04Å; L612-Y627 WeakPolarHBondContact O-CD2 3.18Å; L612-Y627 PolarHBondContact O-N 2.79Å; Q614-Y627 HydrophobicContact CB-CE2 4.23Å; Q614-Y627 PolarHBondContact OE1-OH 2.85Å; R625-Y627 HydrophobicContact CB-CE2 4.24Å; R625-Y627 VanDerWaalsContact CD-CE1 3.48Å; R625-Y627 HydrophobicContact CG-CD1 4.35Å; R625-Y627 HydrophobicContact CG-CD2 4.43Å; R625-Y627 HydrophobicContact CG-CE1 3.98Å; R625-Y627 HydrophobicContact CG-CE2 4.04Å; Y627-E632 WeakPolarHBondContact CA-OE1 3.27Å; Y627-L652 HydrophobicContact CD1-CD1 4.28Å; Y627-L652 HydrophobicContact CE1-CD1 4.27Å; Y627-L659 HydrophobicContact CD1-CD1 3.94Å; Y627-L659 HydrophobicContact CD2-CD1 4.18Å; Y627-L659 HydrophobicContact CE1-CD1 3.66Å; Y627-L659 HydrophobicContact CE1-CD2 3.89Å; Y627-L659 HydrophobicContact CE1-CG 4.29Å; Y627-L659 HydrophobicContact CE2-CD1 3.95Å; Y627-L659 HydrophobicContact CG-CD1 4.2Å
628	N	86.7	Confident	83	Confident	26 Å²	26	69.6 Å²	69.6	14%	0.139	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	108.9	172.5	-170.4	-11.7	0	0	0	109.7	Q610 R630 E631 E632	Q610-N628 PolarHBondContact O-OD1 3.3Å; N628-R630 VanDerWaalsContact C-N 3.28Å; N628-R630 PolarHBondContact O-N 2.93Å; N628-R630 PolarHBondContact OD1-N 3.15Å; N628-E631 HydrophobicContact CB-CB 4.3Å; N628-E631 PolarHBondContact ND2-OE1 2.83Å; N628-E631 PolarHBondContact ND2-OE2 3.06Å; N628-E631 PolarHBondContact O-N 2.77Å; N628-E632 PolarHBondContact N-OE1 3.27Å; N628-E632 WeakPolarHBondContact O-CA 3.29Å; N628-E632 WeakPolarHBondContact O-CB 3.4Å; N628-E632 PolarHBondContact O-N 3.4Å
629	L	85.5	Confident	83.3	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-66.7	-26.8	-171.6	-63.3	-173.5	0	0	0	113.8	L607 Q610 L612 V633 I676 N679 S680	L607-L629 HydrophobicContact CD1-CD1 3.4Å; L607-L629 VanDerWaalsContact CD1-CD1 3.4Å; L607-L629 HydrophobicContact CD1-CG 4.49Å; Q610-L629 WeakPolarHBondContact O-CB 3.19Å; Q610-L629 PolarHBondContact O-N 2.75Å; L612-L629 HydrophobicContact CB-CD2 3.93Å; L612-L629 HydrophobicContact CB-CG 4.33Å; L629-V633 HydrophobicContact CD2-CG2 3.62Å; L629-V633 WeakPolarHBondContact O-CB 3.32Å; L629-I676 HydrophobicContact CD1-CG2 4.5Å; L629-I676 HydrophobicContact CD2-CG2 4.23Å; L629-N679 HydrophobicContact CD1-CB 3.66Å; L629-S680 VanDerWaalsContact O-CB 3.3Å; L629-S680 WeakPolarHBondContact O-CB 3.34Å
630	R	79.3	Confident	83.5	Confident	119 Å²	119	72.7 Å²	72.7	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-75.6	-29.4	178	-167.3	-178.9	-172.2	-162.9	5.6	113	N628 N682	N628-R630 VanDerWaalsContact C-N 3.28Å; N628-R630 PolarHBondContact O-N 2.93Å; N628-R630 PolarHBondContact OD1-N 3.15Å; R630-N682 VanDerWaalsContact CZ-OD1 3.29Å; R630-N682 PolarHBondContact NE-OD1 3.19Å; R630-N682 PolarHBondContact NH2-OD1 3.19Å
631	E	81.5	Confident	83.6	Confident	132 Å²	132	72 Å²	72	62%	0.617	36%	0.357	S	S	*	.	H	α-helix	trans	-105.5	-42.1	-173.7	-72.8	154.8	-149.7	0	0	112.4	N628 N653	N628-E631 HydrophobicContact CB-CB 4.3Å; N628-E631 PolarHBondContact ND2-OE1 2.83Å; N628-E631 PolarHBondContact ND2-OE2 3.06Å; N628-E631 PolarHBondContact O-N 2.77Å; E631-N653 PolarHBondContact O-ND2 2.99Å
632	E	84.4	Confident	83.6	Confident	36 Å²	36	73.6 Å²	73.6	17%	0.168	36%	0.359	C	S	.	.	H	α-helix	trans	-90.1	-21.8	-175.4	-73.8	178.8	-95.3	0	0	114	R625 Y627 N628 L652 N653	R625-E632 IonicContact CZ-OE2 2.96Å; R625-E632 IonicContact NE-OE2 3.14Å; R625-E632 IonicContact NH2-OE2 3.85Å; R625-E632 PolarHBondContact NH2-OE2 3.27Å; Y627-E632 WeakPolarHBondContact CA-OE1 3.27Å; N628-E632 PolarHBondContact N-OE1 3.27Å; N628-E632 WeakPolarHBondContact O-CA 3.29Å; N628-E632 WeakPolarHBondContact O-CB 3.4Å; N628-E632 PolarHBondContact O-N 3.4Å; E632-L652 HydrophobicContact CB-CD2 4.43Å; E632-L652 CarbonylContact O-C 3.49Å; E632-L652 WeakPolarHBondContact O-CA 3.25Å; E632-L652 WeakPolarHBondContact O-CB 3.37Å; E632-L652 WeakPolarHBondContact O-CD2 3.33Å; E632-N653 PolarHBondContact O-N 3.1Å
633	V	82.8	Confident	83.5	Confident	12 Å²	12	73.6 Å²	73.6	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.5	-175.6	174.8	0	0	0	0	112.2	L629 V650 L652 N653	L629-V633 HydrophobicContact CD2-CG2 3.62Å; L629-V633 WeakPolarHBondContact O-CB 3.32Å; V633-V650 HydrophobicContact CB-CG1 4.22Å; V633-V650 HydrophobicContact CG1-CG1 3.61Å; V633-V650 HydrophobicContact CG2-CG1 3.55Å; V633-L652 HydrophobicContact CG2-CD2 3.97Å; V633-N653 PolarHBondContact O-ND2 3.39Å
634	S	79.5	Confident	83.6	Confident	72 Å²	72	74.6 Å²	74.6	50%	0.503	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-13.8	176.7	101.6	0	0	0	0	113.4	T651 N653	S634-T651 PolarHBondContact N-O 3.33Å; S634-T651 WeakPolarHBondContact OG-CB 3.22Å; S634-T651 PolarHBondContact OG-OG1 3.28Å; S634-N653 WeakPolarHBondContact CA-OD1 3.48Å; S634-N653 WeakPolarHBondContact CB-OD1 3.18Å
635	G	80.6	Confident	83.1	Confident	18 Å²	18	78 Å²	78	19%	0.186	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.8	178	-172.3	0	0	0	0	0	113.2	T651	G635-T651 PolarHBondContact O-N 3.21Å; G635-T651 PolarHBondContact O-OG1 3.02Å
636	C	84.4	Confident	83	Confident	25 Å²	25	76 Å²	76	17%	0.169	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	139	-177.6	-170	0	0	0	0	110.1	F648 E649 V650 L677	C636-F648 VanDerWaalsContact SG-CD2 3.57Å; C636-E649 CarbonylContact C-O 3.48Å; C636-E649 WeakPolarHBondContact CA-O 3.07Å; C636-V650 HydrophobicContact CB-CG2 4.46Å; C636-L677 HydrophobicContact CB-CD1 4.16Å; C636-L677 HydrophobicContact CB-CD2 3.72Å; C636-L677 HydrophobicContact CB-CG 3.82Å
637	R	86.1	Confident	83	Confident	119 Å²	119	73 Å²	73	45%	0.449	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	146.9	177.7	68.8	-175.7	-169.6	-73.8	-8	112.5	I639 F648 E649 T651	R637-I639 HydrophobicContact CG-CG2 4.23Å; R637-F648 CarbonylContact O-C 3.4Å; R637-F648 VanDerWaalsContact O-CA 3.27Å; R637-F648 WeakPolarHBondContact O-CA 3.47Å; R637-F648 WeakPolarHBondContact O-CB 3.36Å; R637-E649 HydrophobicContact CG-CB 4.4Å; R637-E649 IonicContact CZ-OE1 2.89Å; R637-E649 IonicContact CZ-OE2 2.77Å; R637-E649 PolarHBondContact N-O 3.18Å; R637-E649 VanDerWaalsContact NH1-CD 3.33Å; R637-E649 IonicContact NH1-OE1 3.51Å; R637-E649 PolarHBondContact NH1-OE1 2.73Å; R637-E649 IonicContact NH2-OE1 2.67Å; R637-E649 PolarHBondContact NH2-OE1 2.76Å; R637-E649 IonicContact NH2-OE2 2.71Å; R637-E649 PolarHBondContact NH2-OE2 2.88Å; R637-E649 PolarHBondContact O-N 3.22Å; R637-T651 VanDerWaalsContact NH1-CG2 3.28Å
638	E	88.5	Confident	83.2	Confident	80 Å²	80	73 Å²	73	37%	0.374	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	145.1	170	-160.2	168.9	-149.2	0	0	109.2	R666 M673	E638-R666 VanDerWaalsContact CD-NH2 3.31Å; E638-R666 IonicContact OE1-CZ 2.7Å; E638-R666 IonicContact OE1-NE 3.24Å; E638-R666 PolarHBondContact OE1-NE 3.22Å; E638-R666 IonicContact OE1-NH2 3.74Å; E638-R666 PolarHBondContact OE1-NH2 3.41Å; E638-R666 VanDerWaalsContact OE1-NH2 3.09Å; E638-R666 IonicContact OE2-CZ 3.09Å; E638-R666 IonicContact OE2-NE 3.33Å; E638-R666 IonicContact OE2-NH2 2.76Å; E638-R666 PolarHBondContact OE2-NH2 3.1Å; E638-M673 HydrophobicContact CB-CE 4.42Å; E638-M673 HydrophobicContact CB-SD 4.46Å
639	I	87.1	Confident	83.4	Confident	28 Å²	28	72.2 Å²	72.2	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.8	179.3	62.6	168.6	0	0	0	111.4	R637 A647 E649 Q660	R637-I639 HydrophobicContact CG-CG2 4.23Å; I639-A647 HydrophobicContact CD1-CB 4.15Å; I639-A647 HydrophobicContact CG1-CB 3.68Å; I639-A647 PolarHBondContact N-O 3.08Å; I639-E649 HydrophobicContact CD1-CB 4.37Å; I639-E649 HydrophobicContact CG2-CB 3.8Å; I639-Q660 HydrophobicContact CD1-CB 4.13Å; I639-Q660 HydrophobicContact CD1-CG 3.61Å
640	E	82	Confident	83.6	Confident	203 Å²	203	72.2 Å²	72.2	95%	0.949	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.3	172.5	-61.5	177.2	178	0	0	109.4
641	D	80.9	Confident	84	Confident	26 Å²	26	67.5 Å²	67.5	14%	0.139	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137	168.5	-174.5	-86.5	0	0	0	110.2	R586 W600 N643 Y644 A647	R586-D641 IonicContact CZ-OD2 2.69Å; R586-D641 IonicContact NH1-OD2 2.73Å; R586-D641 PolarHBondContact NH1-OD2 2.77Å; R586-D641 IonicContact NH2-OD2 3.26Å; R586-D641 PolarHBondContact NH2-OD2 3.03Å; W600-D641 HydrophobicContact CZ2-CB 4.42Å; D641-N643 PolarHBondContact O-N 2.87Å; D641-N643 WeakPolarHBondContact OD1-CB 3.35Å; D641-N643 PolarHBondContact OD1-N 2.94Å; D641-N643 PolarHBondContact OD1-ND2 3.33Å; D641-Y644 PolarHBondContact O-N 3.01Å; D641-A647 HydrophobicContact CB-CB 4.45Å
642	Y	75.7	Confident	84.2	Confident	239 Å²	239	61.6 Å²	61.6	94%	0.937	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.2	-176.8	-62.6	-70.9	0	0	0	115.2
643	N	76	Confident	83.8	Confident	118 Å²	118	64.3 Å²	64.3	63%	0.631	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-14.1	-178.2	-44.7	-89.9	0	0	0	113.1	D641	D641-N643 PolarHBondContact O-N 2.87Å; D641-N643 WeakPolarHBondContact OD1-CB 3.35Å; D641-N643 PolarHBondContact OD1-N 2.94Å; D641-N643 PolarHBondContact OD1-ND2 3.33Å
644	Y	80.8	Confident	83	Confident	56 Å²	56	65.5 Å²	65.5	22%	0.22	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	113.7	-173.8	-67.5	-88	0	0	0	111.8	Y584 W600 D641 F646 A662	Y584-Y644 HydrophobicContact CD1-CE1 4.09Å; Y584-Y644 AromaticContact CD1-CZ 3.91Å; Y584-Y644 WeakPolarHBondContact CD1-OH 3.24Å; Y584-Y644 AromaticContact CD2-CE1 3.68Å; Y584-Y644 HydrophobicContact CD2-CE1 3.68Å; Y584-Y644 HydrophobicContact CE1-CE1 4.48Å; Y584-Y644 WeakPolarHBondContact CE1-OH 3.44Å; Y584-Y644 HydrophobicContact CE2-CE1 4.12Å; Y584-Y644 AromaticContact CG-CE1 3.66Å; Y584-Y644 HydrophobicContact CG-CE1 3.66Å; Y584-Y644 AromaticContact CG-CZ 3.86Å; W600-Y644 HydrophobicContact CB-CE2 4.1Å; W600-Y644 AromaticContact CD1-CD2 3.96Å; W600-Y644 AromaticContact CD1-CE2 3.43Å; W600-Y644 VanDerWaalsContact CD1-CE2 3.43Å; W600-Y644 HydrophobicContact CD2-CD2 4.05Å; W600-Y644 AromaticContact CD2-CE2 3.76Å; W600-Y644 HydrophobicContact CD2-CE2 3.76Å; W600-Y644 AromaticContact CE2-CD2 3.58Å; W600-Y644 AromaticContact CE2-CE2 3.74Å; W600-Y644 HydrophobicContact CG-CD2 4.25Å; W600-Y644 AromaticContact CG-CE2 3.55Å; W600-Y644 HydrophobicContact CG-CE2 3.55Å; W600-Y644 AromaticContact CZ2-CD2 3.96Å; W600-Y644 HydrophobicContact CZ2-CD2 3.96Å; W600-Y644 AromaticContact NE1-CD2 3.5Å; W600-Y644 AromaticContact NE1-CE2 3.5Å; D641-Y644 PolarHBondContact O-N 3.01Å; Y644-F646 VanDerWaalsContact C-N 3.3Å; Y644-F646 PolarHBondContact O-N 2.94Å; Y644-A662 HydrophobicContact CD1-CB 3.54Å; Y644-A662 HydrophobicContact CD2-CB 4.23Å; Y644-A662 HydrophobicContact CE1-CB 4.26Å; Y644-A662 HydrophobicContact CG-CB 3.51Å
645	E	75.8	Confident	82.3	Confident	165 Å²	165	67.6 Å²	67.6	77%	0.771	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	-21.1	-176.2	-59.6	-175.3	148	0	0	114.4
646	F	86.7	Confident	81.6	Confident	56 Å²	56	68 Å²	68	25%	0.246	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	58.9	-173.7	-47	-54.2	0	0	0	111	Y644 C663 T665 R666 A669	Y644-F646 VanDerWaalsContact C-N 3.3Å; Y644-F646 PolarHBondContact O-N 2.94Å; F646-C663 HydrophobicContact CB-CB 4.48Å; F646-C663 PolarHBondContact O-N 3.24Å; F646-T665 VanDerWaalsContact CD2-CA 3.41Å; F646-T665 VanDerWaalsContact CG-C 3.48Å; F646-R666 HydrophobicContact CD1-CB 3.59Å; F646-R666 HydrophobicContact CD1-CG 4.15Å; F646-R666 HydrophobicContact CE1-CB 3.85Å; F646-R666 HydrophobicContact CG-CB 4.32Å; F646-A669 HydrophobicContact CB-CB 4.24Å
647	A	90.8	Very high	81.3	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.7	-177.9	0	0	0	0	0	112.6	I639 D641 F661 A662	I639-A647 HydrophobicContact CD1-CB 4.15Å; I639-A647 HydrophobicContact CG1-CB 3.68Å; I639-A647 PolarHBondContact N-O 3.08Å; D641-A647 HydrophobicContact CB-CB 4.45Å; A647-F661 CarbonylContact C-O 3.58Å; A647-F661 WeakPolarHBondContact CA-O 3.41Å; A647-A662 HydrophobicContact CB-CB 4.26Å
648	F	91.7	Very high	81.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.8	173.6	66.4	-91.9	0	0	0	111.7	C636 R637 V650 Q660 F661 A669 W672 M673 I676	C636-F648 VanDerWaalsContact SG-CD2 3.57Å; R637-F648 CarbonylContact O-C 3.4Å; R637-F648 VanDerWaalsContact O-CA 3.27Å; R637-F648 WeakPolarHBondContact O-CA 3.47Å; R637-F648 WeakPolarHBondContact O-CB 3.36Å; F648-V650 HydrophobicContact CD2-CG2 4.01Å; F648-V650 HydrophobicContact CE2-CG2 3.8Å; F648-Q660 WeakPolarHBondContact O-CA 3.3Å; F648-F661 HydrophobicContact CD1-CB 4.07Å; F648-F661 HydrophobicContact CD2-CB 4.19Å; F648-F661 HydrophobicContact CD2-CD2 4Å; F648-F661 HydrophobicContact CE1-CB 3.62Å; F648-F661 HydrophobicContact CE1-CG 4.41Å; F648-F661 HydrophobicContact CE2-CB 3.77Å; F648-F661 AromaticContact CE2-CD2 3.39Å; F648-F661 HydrophobicContact CE2-CD2 3.39Å; F648-F661 HydrophobicContact CE2-CE2 4.2Å; F648-F661 AromaticContact CE2-CG 3.82Å; F648-F661 HydrophobicContact CE2-CG 3.82Å; F648-F661 HydrophobicContact CG-CB 4.34Å; F648-F661 HydrophobicContact CZ-CB 3.45Å; F648-F661 VanDerWaalsContact CZ-CB 3.45Å; F648-F661 AromaticContact CZ-CD2 3.83Å; F648-F661 HydrophobicContact CZ-CD2 3.83Å; F648-F661 AromaticContact CZ-CG 3.75Å; F648-F661 HydrophobicContact CZ-CG 3.75Å; F648-F661 PolarHBondContact N-O 3.45Å; F648-F661 PolarHBondContact O-N 2.92Å; F648-A669 HydrophobicContact CD1-CB 4.12Å; F648-A669 HydrophobicContact CE1-CB 4.49Å; F648-W672 HydrophobicContact CE1-CB 3.92Å; F648-W672 HydrophobicContact CZ-CB 3.66Å; F648-M673 HydrophobicContact CB-CE 4.42Å; F648-M673 HydrophobicContact CB-CG 3.76Å; F648-M673 HydrophobicContact CB-SD 3.64Å; F648-M673 HydrophobicContact CD1-CG 3.85Å; F648-M673 HydrophobicContact CD1-SD 4.46Å; F648-M673 HydrophobicContact CD2-CG 3.71Å; F648-M673 HydrophobicContact CE1-CG 4.34Å; F648-M673 HydrophobicContact CE2-CG 4.21Å; F648-M673 HydrophobicContact CG-CG 3.51Å; F648-M673 HydrophobicContact CG-SD 4.07Å; F648-I676 HydrophobicContact CE2-CD1 4.03Å; F648-I676 HydrophobicContact CZ-CD1 4.36Å
649	E	91.7	Very high	81.4	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.047	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.7	175.6	-172	177.7	116.2	0	0	110.8	C636 R637 I639 T651 A658 L659 Q660	C636-E649 CarbonylContact C-O 3.48Å; C636-E649 WeakPolarHBondContact CA-O 3.07Å; R637-E649 HydrophobicContact CG-CB 4.4Å; R637-E649 IonicContact CZ-OE1 2.89Å; R637-E649 IonicContact CZ-OE2 2.77Å; R637-E649 PolarHBondContact N-O 3.18Å; R637-E649 VanDerWaalsContact NH1-CD 3.33Å; R637-E649 IonicContact NH1-OE1 3.51Å; R637-E649 PolarHBondContact NH1-OE1 2.73Å; R637-E649 IonicContact NH2-OE1 2.67Å; R637-E649 PolarHBondContact NH2-OE1 2.76Å; R637-E649 IonicContact NH2-OE2 2.71Å; R637-E649 PolarHBondContact NH2-OE2 2.88Å; R637-E649 PolarHBondContact O-N 3.22Å; I639-E649 HydrophobicContact CD1-CB 4.37Å; I639-E649 HydrophobicContact CG2-CB 3.8Å; E649-T651 HydrophobicContact CG-CG2 4.4Å; E649-T651 VanDerWaalsContact OE1-CG2 3.27Å; E649-T651 WeakPolarHBondContact OE1-CG2 3.48Å; E649-A658 VanDerWaalsContact CD-CB 3.48Å; E649-A658 HydrophobicContact CG-CB 3.62Å; E649-A658 WeakPolarHBondContact OE1-CB 3.22Å; E649-L659 WeakPolarHBondContact CA-O 3.39Å; E649-Q660 HydrophobicContact CB-CG 3.9Å; E649-Q660 HydrophobicContact CG-CG 3.8Å; E649-Q660 PolarHBondContact OE2-NE2 2.98Å
650	V	90.3	Very high	81.6	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.8	164.2	-178.1	0	0	0	0	107.6	V633 C636 F648 L652 A658 L659 F661 I676	V633-V650 HydrophobicContact CB-CG1 4.22Å; V633-V650 HydrophobicContact CG1-CG1 3.61Å; V633-V650 HydrophobicContact CG2-CG1 3.55Å; C636-V650 HydrophobicContact CB-CG2 4.46Å; F648-V650 HydrophobicContact CD2-CG2 4.01Å; F648-V650 HydrophobicContact CE2-CG2 3.8Å; V650-L652 HydrophobicContact CG1-CD2 4.35Å; V650-A658 WeakPolarHBondContact O-CA 3.32Å; V650-L659 HydrophobicContact CB-CB 4.42Å; V650-L659 PolarHBondContact N-O 3.32Å; V650-L659 PolarHBondContact O-N 3.41Å; V650-F661 HydrophobicContact CB-CE2 4.14Å; V650-F661 HydrophobicContact CG2-CD2 3.95Å; V650-F661 HydrophobicContact CG2-CE2 3.67Å; V650-I676 HydrophobicContact CG1-CG2 4.31Å; V650-I676 HydrophobicContact CG2-CD1 4.1Å; V650-I676 HydrophobicContact CG2-CG2 4.19Å
651	T	86.9	Confident	82.2	Confident	20 Å²	20	49.1 Å²	49.1	12%	0.123	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.5	178.2	41.1	0	0	0	0	110.2	S634 G635 R637 E649	S634-T651 PolarHBondContact N-O 3.33Å; S634-T651 WeakPolarHBondContact OG-CB 3.22Å; S634-T651 PolarHBondContact OG-OG1 3.28Å; G635-T651 PolarHBondContact O-N 3.21Å; G635-T651 PolarHBondContact O-OG1 3.02Å; R637-T651 VanDerWaalsContact NH1-CG2 3.28Å; E649-T651 HydrophobicContact CG-CG2 4.4Å; E649-T651 VanDerWaalsContact OE1-CG2 3.27Å; E649-T651 WeakPolarHBondContact OE1-CG2 3.48Å
652	L	85	Confident	82.7	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.1	178.2	-55.9	-174.3	0	0	0	111.5	Y627 E632 V633 V650 S654 T657 L659	Y627-L652 HydrophobicContact CD1-CD1 4.28Å; Y627-L652 HydrophobicContact CE1-CD1 4.27Å; E632-L652 HydrophobicContact CB-CD2 4.43Å; E632-L652 CarbonylContact O-C 3.49Å; E632-L652 WeakPolarHBondContact O-CA 3.25Å; E632-L652 WeakPolarHBondContact O-CB 3.37Å; E632-L652 WeakPolarHBondContact O-CD2 3.33Å; V633-L652 HydrophobicContact CG2-CD2 3.97Å; V650-L652 HydrophobicContact CG1-CD2 4.35Å; L652-S654 PolarHBondContact O-N 2.82Å; L652-T657 WeakPolarHBondContact CB-O 3.31Å; L652-T657 PolarHBondContact N-O 3.5Å; L652-L659 HydrophobicContact CD1-CD1 4.43Å; L652-L659 HydrophobicContact CD1-CD2 4.17Å; L652-L659 HydrophobicContact CD1-CG 4Å; L652-L659 HydrophobicContact CD2-CD1 4.31Å; L652-L659 HydrophobicContact CD2-CG 4.31Å; L652-L659 HydrophobicContact CG-CG 4.27Å
653	N	76.9	Confident	83.3	Confident	93 Å²	93	37 Å²	37	50%	0.497	20%	0.198	S	C	.	.	S	Bend	trans	-62.6	-31.8	170.4	-67.6	-35.4	0	0	0	110.9	E631 E632 V633 S634	E631-N653 PolarHBondContact O-ND2 2.99Å; E632-N653 PolarHBondContact O-N 3.1Å; V633-N653 PolarHBondContact O-ND2 3.39Å; S634-N653 WeakPolarHBondContact CA-OD1 3.48Å; S634-N653 WeakPolarHBondContact CB-OD1 3.18Å
654	S	64.9	Low	83.6	Confident	38 Å²	38	35.7 Å²	35.7	27%	0.266	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-79.4	126.2	179.3	45.9	0	0	0	0	112.8	L652 G656 T657	L652-S654 PolarHBondContact O-N 2.82Å; S654-G656 PolarHBondContact O-N 2.92Å; S654-T657 PolarHBondContact O-N 2.82Å; S654-T657 PolarHBondContact O-OG1 2.89Å
655	D	64.7	Low	83.6	Confident	116 Å²	116	36.1 Å²	36.1	62%	0.62	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	52.9	23.4	173.3	-55.3	-28.4	0	0	0	115.5	Y591 T657	Y591-D655 WeakPolarHBondContact CD2-O 3.49Å; Y591-D655 HydrophobicContact CE2-CB 4.24Å; Y591-D655 WeakPolarHBondContact CE2-O 3.33Å; D655-T657 HydrophobicContact CB-CG2 3.99Å; D655-T657 PolarHBondContact O-N 2.89Å
656	G	66.4	Low	83.8	Confident	26 Å²	26	34.5 Å²	34.5	27%	0.268	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	57.4	15.2	-173.8	0	0	0	0	0	114	K590 S654	K590-G656 WeakPolarHBondContact CD-O 3.2Å; K590-G656 WeakPolarHBondContact CE-O 3.33Å; K590-G656 WeakPolarHBondContact CG-O 3.45Å; K590-G656 PolarHBondContact NZ-O 3.25Å; S654-G656 PolarHBondContact O-N 2.92Å
657	T	78.9	Confident	83.1	Confident	34 Å²	34	35.1 Å²	35.1	21%	0.209	20%	0.199	C	C	.	.			trans	-70.4	162.6	-176.2	56.8	0	0	0	0	111.2	L588 L652 S654 D655	L588-T657 WeakPolarHBondContact O-CA 3.19Å; L652-T657 WeakPolarHBondContact CB-O 3.31Å; L652-T657 PolarHBondContact N-O 3.5Å; S654-T657 PolarHBondContact O-N 2.82Å; S654-T657 PolarHBondContact O-OG1 2.89Å; D655-T657 HydrophobicContact CB-CG2 3.99Å; D655-T657 PolarHBondContact O-N 2.89Å
658	A	85	Confident	82.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.6	175.2	0	0	0	0	0	111.1	L588 E649 V650	L588-A658 PolarHBondContact N-O 2.86Å; L588-A658 PolarHBondContact O-N 3.12Å; L588-A658 VanDerWaalsContact O-N 3.1Å; E649-A658 VanDerWaalsContact CD-CB 3.48Å; E649-A658 HydrophobicContact CG-CB 3.62Å; E649-A658 WeakPolarHBondContact OE1-CB 3.22Å; V650-A658 WeakPolarHBondContact O-CA 3.32Å
659	L	90.3	Very high	82.2	Confident	11 Å²	11	37 Å²	37	6%	0.058	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.5	168	-53.1	-179.9	0	0	0	107.2	K587 Y627 E649 V650 L652 F661	K587-L659 HydrophobicContact CD-CD2 4.47Å; K587-L659 HydrophobicContact CG-CD2 3.84Å; Y627-L659 HydrophobicContact CD1-CD1 3.94Å; Y627-L659 HydrophobicContact CD2-CD1 4.18Å; Y627-L659 HydrophobicContact CE1-CD1 3.66Å; Y627-L659 HydrophobicContact CE1-CD2 3.89Å; Y627-L659 HydrophobicContact CE1-CG 4.29Å; Y627-L659 HydrophobicContact CE2-CD1 3.95Å; Y627-L659 HydrophobicContact CG-CD1 4.2Å; E649-L659 WeakPolarHBondContact CA-O 3.39Å; V650-L659 HydrophobicContact CB-CB 4.42Å; V650-L659 PolarHBondContact N-O 3.32Å; V650-L659 PolarHBondContact O-N 3.41Å; L652-L659 HydrophobicContact CD1-CD1 4.43Å; L652-L659 HydrophobicContact CD1-CD2 4.17Å; L652-L659 HydrophobicContact CD1-CG 4Å; L652-L659 HydrophobicContact CD2-CD1 4.31Å; L652-L659 HydrophobicContact CD2-CG 4.31Å; L652-L659 HydrophobicContact CG-CG 4.27Å; L659-F661 HydrophobicContact CB-CD2 4.26Å; L659-F661 HydrophobicContact CB-CE2 3.52Å; L659-F661 HydrophobicContact CB-CZ 3.92Å; L659-F661 HydrophobicContact CD1-CE2 4.09Å; L659-F661 HydrophobicContact CD1-CZ 3.88Å; L659-F661 HydrophobicContact CG-CE2 4.47Å
660	Q	92.2	Very high	81.7	Confident	13 Å²	13	39.9 Å²	39.9	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.9	168.3	-72.6	-179.1	-5.5	0	0	108.9	C585 R586 L588 W600 I639 F648 E649	C585-Q660 CarbonylContact C-O 3.59Å; C585-Q660 VanDerWaalsContact CA-O 3.25Å; C585-Q660 WeakPolarHBondContact CA-O 3.37Å; R586-Q660 HydrophobicContact CG-CB 3.98Å; R586-Q660 VanDerWaalsContact CZ-OE1 3.23Å; R586-Q660 PolarHBondContact N-O 2.98Å; R586-Q660 PolarHBondContact O-N 3.49Å; L588-Q660 HydrophobicContact CD1-CB 4.1Å; L588-Q660 HydrophobicContact CD1-CG 3.69Å; W600-Q660 HydrophobicContact CH2-CB 4.06Å; W600-Q660 HydrophobicContact CZ3-CB 4.49Å; W600-Q660 WeakPolarHBondContact CZ3-O 3.28Å; I639-Q660 HydrophobicContact CD1-CB 4.13Å; I639-Q660 HydrophobicContact CD1-CG 3.61Å; F648-Q660 WeakPolarHBondContact O-CA 3.3Å; E649-Q660 HydrophobicContact CB-CG 3.9Å; E649-Q660 HydrophobicContact CG-CG 3.8Å; E649-Q660 PolarHBondContact OE2-NE2 2.98Å
661	F	93.8	Very high	81.2	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.7	180	-63.5	-85.2	0	0	0	109.2	L583 Y584 C585 F605 L612 A647 F648 V650 L659	L583-F661 HydrophobicContact CB-CD1 4.06Å; L583-F661 HydrophobicContact CD1-CD1 3.49Å; L583-F661 VanDerWaalsContact CD1-CD1 3.49Å; L583-F661 HydrophobicContact CD1-CE1 3.94Å; L583-F661 HydrophobicContact CD1-CG 4.24Å; L583-F661 HydrophobicContact CG-CD1 4.39Å; Y584-F661 CarbonylContact O-C 3.55Å; Y584-F661 VanDerWaalsContact O-CA 3.27Å; Y584-F661 WeakPolarHBondContact O-CA 3.41Å; C585-F661 HydrophobicContact CB-CD1 4.06Å; C585-F661 HydrophobicContact CB-CE1 4.25Å; F605-F661 HydrophobicContact CD1-CE1 4.08Å; F605-F661 HydrophobicContact CD2-CE1 4.4Å; F605-F661 AromaticContact CE1-CE1 3.66Å; F605-F661 HydrophobicContact CE1-CE1 3.66Å; F605-F661 HydrophobicContact CE1-CZ 4.21Å; F605-F661 HydrophobicContact CE2-CD1 4.47Å; F605-F661 HydrophobicContact CE2-CE1 4.01Å; F605-F661 HydrophobicContact CG-CE1 4.43Å; F605-F661 HydrophobicContact CZ-CD1 4.44Å; F605-F661 AromaticContact CZ-CE1 3.62Å; F605-F661 HydrophobicContact CZ-CE1 3.62Å; F605-F661 HydrophobicContact CZ-CZ 4.49Å; L612-F661 HydrophobicContact CD2-CZ 4.07Å; A647-F661 CarbonylContact C-O 3.58Å; A647-F661 WeakPolarHBondContact CA-O 3.41Å; F648-F661 HydrophobicContact CD1-CB 4.07Å; F648-F661 HydrophobicContact CD2-CB 4.19Å; F648-F661 HydrophobicContact CD2-CD2 4Å; F648-F661 HydrophobicContact CE1-CB 3.62Å; F648-F661 HydrophobicContact CE1-CG 4.41Å; F648-F661 HydrophobicContact CE2-CB 3.77Å; F648-F661 AromaticContact CE2-CD2 3.39Å; F648-F661 HydrophobicContact CE2-CD2 3.39Å; F648-F661 HydrophobicContact CE2-CE2 4.2Å; F648-F661 AromaticContact CE2-CG 3.82Å; F648-F661 HydrophobicContact CE2-CG 3.82Å; F648-F661 HydrophobicContact CG-CB 4.34Å; F648-F661 HydrophobicContact CZ-CB 3.45Å; F648-F661 VanDerWaalsContact CZ-CB 3.45Å; F648-F661 AromaticContact CZ-CD2 3.83Å; F648-F661 HydrophobicContact CZ-CD2 3.83Å; F648-F661 AromaticContact CZ-CG 3.75Å; F648-F661 HydrophobicContact CZ-CG 3.75Å; F648-F661 PolarHBondContact N-O 3.45Å; F648-F661 PolarHBondContact O-N 2.92Å; V650-F661 HydrophobicContact CB-CE2 4.14Å; V650-F661 HydrophobicContact CG2-CD2 3.95Å; V650-F661 HydrophobicContact CG2-CE2 3.67Å; L659-F661 HydrophobicContact CB-CD2 4.26Å; L659-F661 HydrophobicContact CB-CE2 3.52Å; L659-F661 HydrophobicContact CB-CZ 3.92Å; L659-F661 HydrophobicContact CD1-CE2 4.09Å; L659-F661 HydrophobicContact CD1-CZ 3.88Å; L659-F661 HydrophobicContact CG-CE2 4.47Å
662	A	91.9	Very high	81.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.2	169.7	0	0	0	0	0	111.1	Y584 W600 Y644 A647	Y584-A662 PolarHBondContact N-O 3.08Å; Y584-A662 PolarHBondContact O-N 3.23Å; W600-A662 HydrophobicContact CH2-CB 3.8Å; W600-A662 HydrophobicContact CZ2-CB 4.42Å; W600-A662 HydrophobicContact CZ3-CB 3.88Å; Y644-A662 HydrophobicContact CD1-CB 3.54Å; Y644-A662 HydrophobicContact CD2-CB 4.23Å; Y644-A662 HydrophobicContact CE1-CB 4.26Å; Y644-A662 HydrophobicContact CG-CB 3.51Å; A647-A662 HydrophobicContact CB-CB 4.26Å
663	C	88	Confident	81.1	Confident	11 Å²	11	42.9 Å²	42.9	7%	0.074	24%	0.235	C	C	.	.			trans	-111.4	167.2	-174.8	-65.1	0	0	0	0	112.2	L583 F646 T665 E668 A669	L583-C663 WeakPolarHBondContact CD2-SG 3.39Å; F646-C663 HydrophobicContact CB-CB 4.48Å; F646-C663 PolarHBondContact O-N 3.24Å; C663-T665 VanDerWaalsContact C-N 3.35Å; C663-E668 HydrophobicContact CB-CB 3.99Å; C663-E668 HydrophobicContact CB-CG 3.8Å; C663-E668 WeakPolarHBondContact CB-OE2 3.14Å; C663-A669 HydrophobicContact CB-CB 4Å; C663-A669 VanDerWaalsContact SG-CA 3.59Å
664	S	83.7	Confident	81.2	Confident	90 Å²	90	42.5 Å²	42.5	63%	0.629	23%	0.233	S	C	*	.	S	Bend	trans	-73.6	-25.4	176	66	0	0	0	0	113.5	E668	S664-E668 WeakPolarHBondContact CB-OE2 3.5Å; S664-E668 PolarHBondContact N-OE2 2.88Å; S664-E668 PolarHBondContact OG-OE2 2.81Å
665	T	80	Confident	82	Confident	65 Å²	65	41.4 Å²	41.4	40%	0.399	23%	0.226	S	C	.	.	S	Bend	trans	-146	156.7	-178.6	64.1	0	0	0	0	111.6	F646 C663 N667 E668 A669	F646-T665 VanDerWaalsContact CD2-CA 3.41Å; F646-T665 VanDerWaalsContact CG-C 3.48Å; C663-T665 VanDerWaalsContact C-N 3.35Å; T665-N667 VanDerWaalsContact C-N 3.27Å; T665-N667 PolarHBondContact O-N 3.34Å; T665-E668 PolarHBondContact O-N 3.42Å; T665-E668 WeakPolarHBondContact OG1-CB 3.47Å; T665-E668 PolarHBondContact OG1-N 3.21Å; T665-E668 VanDerWaalsContact OG1-N 3.11Å; T665-A669 PolarHBondContact O-N 2.71Å
666	R	79.1	Confident	82.9	Confident	130 Å²	130	36 Å²	36	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-61.5	-34	173.3	-158.4	176.1	-169.3	-166.8	1.5	113	E638 F646 A669 L670	E638-R666 VanDerWaalsContact CD-NH2 3.31Å; E638-R666 IonicContact OE1-CZ 2.7Å; E638-R666 IonicContact OE1-NE 3.24Å; E638-R666 PolarHBondContact OE1-NE 3.22Å; E638-R666 IonicContact OE1-NH2 3.74Å; E638-R666 PolarHBondContact OE1-NH2 3.41Å; E638-R666 VanDerWaalsContact OE1-NH2 3.09Å; E638-R666 IonicContact OE2-CZ 3.09Å; E638-R666 IonicContact OE2-NE 3.33Å; E638-R666 IonicContact OE2-NH2 2.76Å; E638-R666 PolarHBondContact OE2-NH2 3.1Å; F646-R666 HydrophobicContact CD1-CB 3.59Å; F646-R666 HydrophobicContact CD1-CG 4.15Å; F646-R666 HydrophobicContact CE1-CB 3.85Å; F646-R666 HydrophobicContact CG-CB 4.32Å; R666-A669 PolarHBondContact O-N 3.25Å; R666-L670 HydrophobicContact CG-CD1 4.17Å; R666-L670 HydrophobicContact CG-CG 4.38Å; R666-L670 WeakPolarHBondContact O-CB 3.39Å; R666-L670 VanDerWaalsContact O-CG 3.31Å; R666-L670 WeakPolarHBondContact O-CG 3.25Å; R666-L670 PolarHBondContact O-N 2.88Å
667	N	73	Confident	83.7	Confident	69 Å²	69	37.7 Å²	37.7	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-44.7	176.2	-166.8	4.8	0	0	0	110.6	T665 A669 L670 Q671	T665-N667 VanDerWaalsContact C-N 3.27Å; T665-N667 PolarHBondContact O-N 3.34Å; N667-A669 PolarHBondContact O-N 2.84Å; N667-L670 PolarHBondContact O-N 2.88Å; N667-Q671 WeakPolarHBondContact O-CB 3.42Å; N667-Q671 WeakPolarHBondContact O-CG 3.06Å; N667-Q671 PolarHBondContact O-N 3.31Å; N667-Q671 PolarHBondContact OD1-NE2 3.18Å
668	E	82.3	Confident	83.2	Confident	39 Å²	39	40.7 Å²	40.7	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-45.1	174.2	180	178.3	-147.1	0	0	112.1	C663 S664 T665 Q671 W672	C663-E668 HydrophobicContact CB-CB 3.99Å; C663-E668 HydrophobicContact CB-CG 3.8Å; C663-E668 WeakPolarHBondContact CB-OE2 3.14Å; S664-E668 WeakPolarHBondContact CB-OE2 3.5Å; S664-E668 PolarHBondContact N-OE2 2.88Å; S664-E668 PolarHBondContact OG-OE2 2.81Å; T665-E668 PolarHBondContact O-N 3.42Å; T665-E668 WeakPolarHBondContact OG1-CB 3.47Å; T665-E668 PolarHBondContact OG1-N 3.21Å; T665-E668 VanDerWaalsContact OG1-N 3.11Å; E668-Q671 PolarHBondContact O-N 2.99Å; E668-W672 VanDerWaalsContact O-CD1 3.23Å; E668-W672 PolarHBondContact O-N 3.38Å
669	A	80.8	Confident	82.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-54	176.8	0	0	0	0	0	112	F646 F648 C663 T665 R666 N667 Q671 W672 M673	F646-A669 HydrophobicContact CB-CB 4.24Å; F648-A669 HydrophobicContact CD1-CB 4.12Å; F648-A669 HydrophobicContact CE1-CB 4.49Å; C663-A669 HydrophobicContact CB-CB 4Å; C663-A669 VanDerWaalsContact SG-CA 3.59Å; T665-A669 PolarHBondContact O-N 2.71Å; R666-A669 PolarHBondContact O-N 3.25Å; N667-A669 PolarHBondContact O-N 2.84Å; A669-Q671 VanDerWaalsContact C-N 3.3Å; A669-Q671 PolarHBondContact O-N 3Å; A669-W672 PolarHBondContact O-N 2.87Å; A669-W672 VanDerWaalsContact O-N 3.12Å; A669-M673 VanDerWaalsContact O-CG 3.31Å; A669-M673 WeakPolarHBondContact O-CG 3.42Å; A669-M673 PolarHBondContact O-N 3.03Å
670	L	80.8	Confident	81.7	Confident	72 Å²	72	42.3 Å²	42.3	38%	0.377	22%	0.222	S	C	.	.	H	α-helix	trans	-59	-39.8	179.5	-71.3	170.7	0	0	0	112.3	R666 N667 M673 N674	R666-L670 HydrophobicContact CG-CD1 4.17Å; R666-L670 HydrophobicContact CG-CG 4.38Å; R666-L670 WeakPolarHBondContact O-CB 3.39Å; R666-L670 VanDerWaalsContact O-CG 3.31Å; R666-L670 WeakPolarHBondContact O-CG 3.25Å; R666-L670 PolarHBondContact O-N 2.88Å; N667-L670 PolarHBondContact O-N 2.88Å; L670-M673 PolarHBondContact O-N 2.95Å; L670-N674 VanDerWaalsContact O-CB 3.32Å; L670-N674 WeakPolarHBondContact O-CB 3.42Å; L670-N674 PolarHBondContact O-N 3.36Å; L670-N674 PolarHBondContact O-ND2 2.98Å
671	Q	81.5	Confident	80.3	Confident	72 Å²	72	44.9 Å²	44.9	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-44.1	175.1	-71.4	173.7	24.8	0	0	112.1	R579 N667 E668 A669 N674 S675	R579-Q671 VanDerWaalsContact CZ-CB 3.41Å; R579-Q671 VanDerWaalsContact CZ-OE1 3.25Å; N667-Q671 WeakPolarHBondContact O-CB 3.42Å; N667-Q671 WeakPolarHBondContact O-CG 3.06Å; N667-Q671 PolarHBondContact O-N 3.31Å; N667-Q671 PolarHBondContact OD1-NE2 3.18Å; E668-Q671 PolarHBondContact O-N 2.99Å; A669-Q671 VanDerWaalsContact C-N 3.3Å; A669-Q671 PolarHBondContact O-N 3Å; Q671-N674 PolarHBondContact O-N 3.45Å; Q671-S675 PolarHBondContact O-N 3.34Å; Q671-S675 PolarHBondContact O-OG 3.15Å
672	W	85.1	Confident	78	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-44.3	175.1	-84.2	108.1	0	0	0	112.3	R579 L583 F605 L607 L612 F648 E668 A669 N674 S675 I676	R579-W672 HydrophobicContact CB-CE3 4.38Å; R579-W672 HydrophobicContact CB-CH2 4.32Å; R579-W672 HydrophobicContact CB-CZ3 4.14Å; R579-W672 VanDerWaalsContact CD-CD2 3.42Å; R579-W672 HydrophobicContact CG-CD2 3.96Å; R579-W672 HydrophobicContact CG-CE3 4.03Å; R579-W672 HydrophobicContact CG-CH2 3.98Å; R579-W672 HydrophobicContact CG-CZ2 3.9Å; R579-W672 HydrophobicContact CG-CZ3 4.04Å; R579-W672 VanDerWaalsContact NE-CG 3.26Å; R579-W672 WeakPolarHBondContact O-CH2 3.21Å; L583-W672 HydrophobicContact CD1-CD2 3.9Å; L583-W672 HydrophobicContact CD1-CE3 4.19Å; L583-W672 HydrophobicContact CD1-CG 4.34Å; L583-W672 HydrophobicContact CD1-CH2 4.37Å; L583-W672 HydrophobicContact CD1-CZ2 4.09Å; L583-W672 HydrophobicContact CD1-CZ3 4.42Å; L583-W672 HydrophobicContact CD2-CG 4.43Å; L583-W672 HydrophobicContact CG-CZ2 4.27Å; F605-W672 HydrophobicContact CB-CH2 3.85Å; F605-W672 HydrophobicContact CB-CZ3 4.34Å; L607-W672 HydrophobicContact CB-CZ3 4.27Å; L612-W672 HydrophobicContact CD1-CZ3 4.13Å; F648-W672 HydrophobicContact CE1-CB 3.92Å; F648-W672 HydrophobicContact CZ-CB 3.66Å; E668-W672 VanDerWaalsContact O-CD1 3.23Å; E668-W672 PolarHBondContact O-N 3.38Å; A669-W672 PolarHBondContact O-N 2.87Å; A669-W672 VanDerWaalsContact O-N 3.12Å; W672-N674 PolarHBondContact O-N 3.01Å; W672-S675 PolarHBondContact O-N 3.14Å; W672-I676 WeakPolarHBondContact O-CB 3.45Å; W672-I676 VanDerWaalsContact O-CG1 3.28Å; W672-I676 WeakPolarHBondContact O-CG1 3.48Å; W672-I676 PolarHBondContact O-N 3.31Å
673	M	84.6	Confident	75.5	Confident	18 Å²	18	53.4 Å²	53.4	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-56.4	-49.5	175.2	-69.2	178.5	65.1	0	0	111.4	E638 F648 A669 L670 I676 L677	E638-M673 HydrophobicContact CB-CE 4.42Å; E638-M673 HydrophobicContact CB-SD 4.46Å; F648-M673 HydrophobicContact CB-CE 4.42Å; F648-M673 HydrophobicContact CB-CG 3.76Å; F648-M673 HydrophobicContact CB-SD 3.64Å; F648-M673 HydrophobicContact CD1-CG 3.85Å; F648-M673 HydrophobicContact CD1-SD 4.46Å; F648-M673 HydrophobicContact CD2-CG 3.71Å; F648-M673 HydrophobicContact CE1-CG 4.34Å; F648-M673 HydrophobicContact CE2-CG 4.21Å; F648-M673 HydrophobicContact CG-CG 3.51Å; F648-M673 HydrophobicContact CG-SD 4.07Å; A669-M673 VanDerWaalsContact O-CG 3.31Å; A669-M673 WeakPolarHBondContact O-CG 3.42Å; A669-M673 PolarHBondContact O-N 3.03Å; L670-M673 PolarHBondContact O-N 2.95Å; M673-I676 PolarHBondContact O-N 2.85Å; M673-L677 WeakPolarHBondContact O-CB 3.44Å; M673-L677 WeakPolarHBondContact O-CG 3.36Å; M673-L677 PolarHBondContact O-N 3.37Å
674	N	79.2	Confident	72.9	Confident	85 Å²	85	61 Å²	61	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-46.1	179.9	-72.8	-22	0	0	0	112	L670 Q671 W672 I676 L677 Q678	L670-N674 VanDerWaalsContact O-CB 3.32Å; L670-N674 WeakPolarHBondContact O-CB 3.42Å; L670-N674 PolarHBondContact O-N 3.36Å; L670-N674 PolarHBondContact O-ND2 2.98Å; Q671-N674 PolarHBondContact O-N 3.45Å; W672-N674 PolarHBondContact O-N 3.01Å; N674-I676 VanDerWaalsContact C-N 3.32Å; N674-I676 PolarHBondContact O-N 2.94Å; N674-L677 PolarHBondContact O-N 3.37Å; N674-Q678 WeakPolarHBondContact O-CB 3.42Å; N674-Q678 WeakPolarHBondContact O-CG 3.45Å; N674-Q678 PolarHBondContact O-N 3.36Å
675	S	80.6	Confident	70.6	Confident	15 Å²	15	61.9 Å²	61.9	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-35.9	178.2	-58.3	0	0	0	0	112.7	Q671 W672 N679	Q671-S675 PolarHBondContact O-N 3.34Å; Q671-S675 PolarHBondContact O-OG 3.15Å; W672-S675 PolarHBondContact O-N 3.14Å; S675-N679 WeakPolarHBondContact O-CB 3.46Å; S675-N679 PolarHBondContact O-N 3.4Å; S675-N679 PolarHBondContact O-ND2 3.39Å
676	I	84.8	Confident	68.3	Low	1 Å²	1	63.6 Å²	63.6	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-68.7	-47.1	175.8	-71.7	168	0	0	0	110.7	L612 L629 F648 V650 W672 M673 N674 N679 S680	L612-I676 HydrophobicContact CD2-CD1 4.38Å; L629-I676 HydrophobicContact CD1-CG2 4.5Å; L629-I676 HydrophobicContact CD2-CG2 4.23Å; F648-I676 HydrophobicContact CE2-CD1 4.03Å; F648-I676 HydrophobicContact CZ-CD1 4.36Å; V650-I676 HydrophobicContact CG1-CG2 4.31Å; V650-I676 HydrophobicContact CG2-CD1 4.1Å; V650-I676 HydrophobicContact CG2-CG2 4.19Å; W672-I676 WeakPolarHBondContact O-CB 3.45Å; W672-I676 VanDerWaalsContact O-CG1 3.28Å; W672-I676 WeakPolarHBondContact O-CG1 3.48Å; W672-I676 PolarHBondContact O-N 3.31Å; M673-I676 PolarHBondContact O-N 2.85Å; N674-I676 VanDerWaalsContact C-N 3.32Å; N674-I676 PolarHBondContact O-N 2.94Å; I676-N679 PolarHBondContact O-N 2.95Å; I676-S680 PolarHBondContact O-N 2.82Å
677	L	81.3	Confident	66	Low	62 Å²	62	62.6 Å²	62.6	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-47.6	178.8	-74.2	170.9	0	0	0	112	C636 M673 N674 N679 S680 S681	C636-L677 HydrophobicContact CB-CD1 4.16Å; C636-L677 HydrophobicContact CB-CD2 3.72Å; C636-L677 HydrophobicContact CB-CG 3.82Å; M673-L677 WeakPolarHBondContact O-CB 3.44Å; M673-L677 WeakPolarHBondContact O-CG 3.36Å; M673-L677 PolarHBondContact O-N 3.37Å; N674-L677 PolarHBondContact O-N 3.37Å; L677-N679 VanDerWaalsContact C-N 3.29Å; L677-N679 PolarHBondContact O-N 2.85Å; L677-S680 PolarHBondContact O-N 2.94Å; L677-S680 PolarHBondContact O-OG 3.44Å; L677-S681 PolarHBondContact O-N 2.93Å
678	Q	69.9	Low	63.8	Low	97 Å²	97	63.5 Å²	63.5	45%	0.453	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-39.2	178.2	-73.7	167.5	-14.4	0	0	112.7	N674 S680 S681	N674-Q678 WeakPolarHBondContact O-CB 3.42Å; N674-Q678 WeakPolarHBondContact O-CG 3.45Å; N674-Q678 PolarHBondContact O-N 3.36Å; Q678-S680 VanDerWaalsContact C-N 3.29Å; Q678-S680 PolarHBondContact O-N 3.49Å; Q678-S681 PolarHBondContact O-OG 2.73Å
679	N	70.9	Confident	61.2	Low	17 Å²	17	67.2 Å²	67.2	9%	0.091	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0.8	178	-74.5	-86	0	0	0	114	L607 G609 L629 S675 I676 L677	L607-N679 HydrophobicContact CD1-CB 4.37Å; G609-N679 WeakPolarHBondContact CA-OD1 3.17Å; G609-N679 PolarHBondContact O-OD1 3.2Å; G609-N679 VanDerWaalsContact O-OD1 3.14Å; L629-N679 HydrophobicContact CD1-CB 3.66Å; S675-N679 WeakPolarHBondContact O-CB 3.46Å; S675-N679 PolarHBondContact O-N 3.4Å; S675-N679 PolarHBondContact O-ND2 3.39Å; I676-N679 PolarHBondContact O-N 2.95Å; L677-N679 VanDerWaalsContact C-N 3.29Å; L677-N679 PolarHBondContact O-N 2.85Å
680	S	72.4	Confident	59.2	Low	29 Å²	29	71 Å²	71	20%	0.203	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-24.4	171.6	70.3	0	0	0	0	113.6	L629 I676 L677 Q678	L629-S680 VanDerWaalsContact O-CB 3.3Å; L629-S680 WeakPolarHBondContact O-CB 3.34Å; I676-S680 PolarHBondContact O-N 2.82Å; L677-S680 PolarHBondContact O-N 2.94Å; L677-S680 PolarHBondContact O-OG 3.44Å; Q678-S680 VanDerWaalsContact C-N 3.29Å; Q678-S680 PolarHBondContact O-N 3.49Å
681	S	62.7	Low	57.4	Low	67 Å²	67	68.8 Å²	68.8	47%	0.469	42%	0.416	S	S	.	.	S	Bend	trans	-75.4	143.8	-179.5	49.4	0	0	0	0	113.4	L677 Q678 A683	L677-S681 PolarHBondContact O-N 2.93Å; Q678-S681 PolarHBondContact O-OG 2.73Å; S681-A683 PolarHBondContact O-N 3.08Å
682	N	46.5	Very low	56.3	Low	117 Å²	117	67.5 Å²	67.5	63%	0.626	41%	0.41	S	S	*	.			trans	-71	57.2	176.7	-84.9	-20.3	0	0	0	113.3	R630	R630-N682 VanDerWaalsContact CZ-OD1 3.29Å; R630-N682 PolarHBondContact NE-OD1 3.19Å; R630-N682 PolarHBondContact NH2-OD1 3.19Å
683	A	38.3	Very low	55.6	Low	62 Å²	62	68.2 Å²	68.2	51%	0.512	42%	0.415	S	S	.	.			trans	-81.5	111.7	162.4	0	0	0	0	0	108.7	S681 V685	S681-A683 PolarHBondContact O-N 3.08Å; A683-V685 PolarHBondContact O-N 2.97Å
684	E	33	Very low	55.5	Low	171 Å²	171	70.4 Å²	70.4	80%	0.799	43%	0.427	S	S	*	.			trans	-74.8	96	179.5	-63.2	-166.2	138.2	0	0	110.8	S686	E684-S686 PolarHBondContact O-N 3.47Å; E684-S686 VanDerWaalsContact O-N 3.09Å
685	V	35.9	Very low	55.9	Low	108 Å²	108	66.4 Å²	66.4	66%	0.655	41%	0.406	S	S	*	.			trans	-83.2	82.1	177.5	-175.5	0	0	0	0	109.8	F576 A683 S687	F576-V685 HydrophobicContact CE1-CG2 4.41Å; A683-V685 PolarHBondContact O-N 2.97Å; V685-S687 PolarHBondContact O-N 3.26Å
686	S	32.3	Very low	56.3	Low	102 Å²	102	65.7 Å²	65.7	71%	0.713	40%	0.401	S	S	*	.			trans	-64.9	120.5	170.5	-66.7	0	0	0	0	111.2	E684	E684-S686 PolarHBondContact O-N 3.47Å; E684-S686 VanDerWaalsContact O-N 3.09Å
687	S	30.1	Very low	56.7	Low	109 Å²	109	65.7 Å²	65.7	76%	0.762	40%	0.4	S	S	*	.	S	Bend	trans	42.3	90.8	159.4	60.4	0	0	0	0	119.2	V685	V685-S687 PolarHBondContact O-N 3.26Å
688	A	27.3	Very low	57.3	Low	88 Å²	88	62.7 Å²	62.7	73%	0.727	39%	0.385	S	S	*	.			trans	58.3	137.9	140	0	0	0	0	0	122.4
689	T	27.6	Very low	58.5	Low	116 Å²	116	58.1 Å²	58.1	71%	0.712	36%	0.363	S	S	*	.			trans	63.1	67.1	165.2	66.8	0	0	0	0	119	R800	T689-R800 PolarHBondContact O-NH1 3.06Å; T689-R800 PolarHBondContact O-NH2 3.17Å
690	D	39.1	Very low	59.6	Low	81 Å²	81	57.3 Å²	57.3	43%	0.433	36%	0.359	S	S	.	.				-162.8	149.3	113.3	-111.6	16.8	0	0	0	112.6	C693 R800	D690-C693 PolarHBondContact OD2-SG 2.88Å; D690-R800 IonicContact OD1-CZ 2.82Å; D690-R800 IonicContact OD1-NH1 3.33Å; D690-R800 PolarHBondContact OD1-NH1 3.39Å; D690-R800 IonicContact OD2-CZ 2.73Å; D690-R800 VanDerWaalsContact OD2-CZ 3.24Å; D690-R800 IonicContact OD2-NE 3.02Å; D690-R800 PolarHBondContact OD2-NE 3.31Å; D690-R800 IonicContact OD2-NH1 3.88Å; D690-R800 PolarHBondContact OD2-NH1 2.89Å
691	G	42.3	Very low	60.5	Low	25 Å²	25	55.9 Å²	55.9	26%	0.258	35%	0.349	S	S	.	.	S	Bend	trans	-113	-13.3	-177.7	0	0	0	0	0	116.2
692	H	58.6	Low	61.6	Low	45 Å²	45	57.3 Å²	57.3	21%	0.208	35%	0.352	C	S	.	.	S	Bend	trans	-149.6	0.2	-161.3	-77.2	-72.1	0	0	0	116.2	P564 C570 L574	P564-H692 WeakPolarHBondContact CD-O 3.48Å; C570-H692 PolarHBondContact O-CD2 3.33Å; C570-H692 PolarHBondContact O-NE2 2.57Å; C570-H692 VanDerWaalsContact O-NE2 3.14Å; L574-H692 PolarHBondContact N-CE1 2.96Å; L574-H692 VanDerWaalsContact N-CE1 3.34Å; L574-H692 PolarHBondContact O-CE1 2.93Å; L574-H692 PolarHBondContact O-ND1 3.4Å
693	C	71.1	Confident	63.6	Low	18 Å²	18	52.9 Å²	52.9	12%	0.122	33%	0.334	C	S	.	.			trans	-99.9	151.3	177.6	95.9	0	0	0	0	112.2	W562 Y563 D690	W562-C693 CarbonylContact O-C 3.55Å; W562-C693 WeakPolarHBondContact O-CA 3.34Å; Y563-C693 HydrophobicContact CD1-CB 3.8Å; Y563-C693 HydrophobicContact CD2-CB 4.37Å; Y563-C693 HydrophobicContact CE1-CB 3.32Å; Y563-C693 HydrophobicContact CE2-CB 3.94Å; Y563-C693 HydrophobicContact CG-CB 4.3Å; D690-C693 PolarHBondContact OD2-SG 2.88Å
694	L	82.6	Confident	66.1	Low	64 Å²	64	53 Å²	53	34%	0.335	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.2	171.9	-65.4	173.6	0	0	0	109.3	F561 W562 L720	F561-L694 WeakPolarHBondContact CA-O 3.4Å; W562-L694 HydrophobicContact CE3-CD1 3.91Å; W562-L694 HydrophobicContact CZ3-CD1 3.97Å; W562-L694 PolarHBondContact N-O 2.81Å; W562-L694 PolarHBondContact O-N 2.56Å; L694-L720 HydrophobicContact CB-CD1 4.46Å; L694-L720 HydrophobicContact CD1-CD1 4.14Å
695	A	86.4	Confident	68.8	Low	1 Å²	1	44.9 Å²	44.9	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129	164.2	0	0	0	0	0	109	H428 G431 A432 F433 F561 Q709	H428-A695 CarbonylContact O-C 3.57Å; G431-A695 WeakPolarHBondContact CA-O 3.13Å; A432-A695 VanDerWaalsContact O-CB 3.23Å; A432-A695 WeakPolarHBondContact O-CB 3.27Å; F433-A695 HydrophobicContact CB-CB 4.28Å; F433-A695 HydrophobicContact CD1-CB 4.39Å; F561-A695 HydrophobicContact CD1-CB 4.17Å; F561-A695 HydrophobicContact CE1-CB 3.95Å; A695-Q709 PolarHBondContact O-NE2 2.81Å
696	C	89.7	Confident	71.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	166.7	179.9	64.2	0	0	0	0	113.3	V560 Q709 L720	V560-C696 PolarHBondContact N-O 3.23Å; V560-C696 PolarHBondContact O-N 3.11Å; V560-C696 VanDerWaalsContact O-N 3.08Å; C696-Q709 HydrophobicContact CB-CG 4.2Å; C696-L720 HydrophobicContact CB-CD1 3.63Å
697	S	92.8	Very high	74.2	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.1	161.3	69.4	0	0	0	0	111	Y557 L707 G708	Y557-S697 WeakPolarHBondContact OH-CB 3.42Å; S697-L707 WeakPolarHBondContact O-CA 3.46Å; S697-G708 PolarHBondContact N-O 3.1Å; S697-G708 PolarHBondContact O-N 2.83Å; S697-G708 VanDerWaalsContact O-N 3.1Å; S697-G708 PolarHBondContact OG-O 2.91Å
698	C	94.7	Very high	76.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124	172.6	176.1	0	0	0	0	109.1	Y557 A558 V560 F706 L707	Y557-C698 WeakPolarHBondContact CA-O 3Å; A558-C698 PolarHBondContact N-O 3.3Å; A558-C698 PolarHBondContact O-N 2.98Å; V560-C698 HydrophobicContact CG1-CB 4.08Å; V560-C698 HydrophobicContact CG2-CB 3.69Å; C698-F706 WeakPolarHBondContact CA-O 3.31Å; C698-L707 HydrophobicContact CB-CD2 3.63Å
699	V	94.5	Very high	79.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.2	-172.1	-162	0	0	0	0	109.9	M539 W542 M543 V554 F556 Y557 F706	M539-V699 HydrophobicContact SD-CG2 4.04Å; W542-V699 HydrophobicContact CZ3-CG2 3.91Å; M543-V699 HydrophobicContact CE-CG1 4.34Å; M543-V699 HydrophobicContact SD-CB 4.25Å; M543-V699 HydrophobicContact SD-CG1 3.76Å; V554-V699 HydrophobicContact CB-CG1 4.45Å; V554-V699 HydrophobicContact CG1-CG1 3.81Å; V554-V699 HydrophobicContact CG2-CG1 4.03Å; F556-V699 WeakPolarHBondContact O-CA 3.43Å; Y557-V699 HydrophobicContact CD2-CG1 4.47Å; Y557-V699 HydrophobicContact CD2-CG2 3.72Å; Y557-V699 HydrophobicContact CE2-CG2 4.02Å; V699-F706 HydrophobicContact CB-CB 4.37Å; V699-F706 PolarHBondContact N-O 3.15Å; V699-F706 PolarHBondContact O-N 2.86Å
700	L	94.1	Very high	82.1	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.5	173.5	-89.4	64.9	0	0	0	110.2	S555 F556 V705 F725 F768 C771 L772	S555-L700 PolarHBondContact N-O 3.44Å; F556-L700 HydrophobicContact CB-CB 4.17Å; F556-L700 HydrophobicContact CD1-CD1 4.21Å; F556-L700 PolarHBondContact N-O 2.92Å; F556-L700 PolarHBondContact O-N 2.94Å; L700-V705 HydrophobicContact CD1-CB 4.45Å; L700-V705 HydrophobicContact CD1-CG1 4.04Å; L700-V705 HydrophobicContact CD1-CG2 4.08Å; L700-V705 HydrophobicContact CG-CG2 4.24Å; L700-F725 HydrophobicContact CB-CZ 4.48Å; L700-F725 HydrophobicContact CD2-CE1 4.5Å; L700-F725 HydrophobicContact CD2-CZ 4.35Å; L700-F725 HydrophobicContact CG-CE1 4.2Å; L700-F725 HydrophobicContact CG-CZ 4.18Å; L700-F768 HydrophobicContact CD1-CD2 3.94Å; L700-F768 HydrophobicContact CD1-CE2 3.68Å; L700-F768 HydrophobicContact CD2-CD2 4.4Å; L700-F768 HydrophobicContact CD2-CE2 4.42Å; L700-C771 HydrophobicContact CD2-CB 4.12Å; L700-L772 HydrophobicContact CD2-CB 4.23Å; L700-L772 HydrophobicContact CD2-CD1 4.37Å
701	T	91.8	Very high	83.6	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.			trans	-122.7	-171	174.3	62.2	0	0	0	0	109.7	M543 L552 P553 G703 Y704 F706 F725	M543-T701 HydrophobicContact CE-CG2 3.7Å; M543-T701 HydrophobicContact SD-CG2 3.38Å; M543-T701 WeakPolarHBondContact SD-CG2 3.31Å; L552-T701 HydrophobicContact CB-CG2 3.97Å; L552-T701 HydrophobicContact CD1-CG2 3.98Å; P553-T701 WeakPolarHBondContact O-CG2 3.34Å; T701-G703 PolarHBondContact O-N 2.86Å; T701-G703 VanDerWaalsContact O-N 3.16Å; T701-Y704 PolarHBondContact N-O 2.86Å; T701-Y704 WeakPolarHBondContact OG1-CB 3.46Å; T701-Y704 PolarHBondContact OG1-N 2.76Å; T701-Y704 VanDerWaalsContact OG1-N 3.1Å; T701-Y704 PolarHBondContact OG1-O 2.94Å; T701-Y704 VanDerWaalsContact OG1-O 3.11Å; T701-F706 HydrophobicContact CG2-CD2 4.15Å; T701-F706 HydrophobicContact CG2-CE2 3.82Å; T701-F725 WeakPolarHBondContact O-CE2 3.42Å; T701-F725 WeakPolarHBondContact O-CZ 3.49Å
702	D	84.8	Confident	84.5	Confident	97 Å²	97	26.1 Å²	26.1	52%	0.519	14%	0.141	S	C	.	.	S	Bend	trans	-64.9	-13.8	177.2	-67.7	-43.8	0	0	0	115.1	P553 H775	P553-D702 WeakPolarHBondContact CG-OD2 3.31Å; D702-H775 IonicContact OD1-CE1 2.75Å; D702-H775 PolarHBondContact OD1-CE1 3.11Å; D702-H775 VanDerWaalsContact OD1-CE1 3.31Å; D702-H775 IonicContact OD1-ND1 3.98Å
703	G	87.5	Confident	84.1	Confident	24 Å²	24	32.1 Å²	32.1	25%	0.247	17%	0.174	C	C	.	.	S	Bend	trans	-147.8	-4.7	-176.1	0	0	0	0	0	117.1	T701 F725	T701-G703 PolarHBondContact O-N 2.86Å; T701-G703 VanDerWaalsContact O-N 3.16Å; G703-F725 VanDerWaalsContact C-CD2 3.44Å; G703-F725 VanDerWaalsContact C-CG 3.45Å; G703-F725 VanDerWaalsContact CA-CD2 3.4Å; G703-F725 WeakPolarHBondContact O-CB 3.23Å; G703-F725 VanDerWaalsContact O-CG 3.32Å; G703-F725 WeakPolarHBondContact O-CG 3.45Å; G703-F725 PolarHBondContact O-N 3.09Å
704	Y	90.8	Very high	83.1	Confident	64 Å²	64	34 Å²	34	25%	0.251	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.5	-170.4	-56.8	-101.6	0	0	0	112.7	L547 L552 T701 F706 L723 E724 F725	L547-Y704 HydrophobicContact CD1-CD1 3.98Å; L547-Y704 HydrophobicContact CD1-CD2 3.69Å; L547-Y704 HydrophobicContact CD1-CE1 3.81Å; L547-Y704 HydrophobicContact CD1-CE2 3.56Å; L547-Y704 HydrophobicContact CD1-CG 3.93Å; L547-Y704 HydrophobicContact CD2-CD1 4.1Å; L547-Y704 HydrophobicContact CD2-CE1 3.65Å; L547-Y704 HydrophobicContact CG-CE1 4.42Å; L552-Y704 HydrophobicContact CD1-CD2 4.26Å; T701-Y704 PolarHBondContact N-O 2.86Å; T701-Y704 WeakPolarHBondContact OG1-CB 3.46Å; T701-Y704 PolarHBondContact OG1-N 2.76Å; T701-Y704 VanDerWaalsContact OG1-N 3.1Å; T701-Y704 PolarHBondContact OG1-O 2.94Å; T701-Y704 VanDerWaalsContact OG1-O 3.11Å; Y704-F706 HydrophobicContact CG-CE2 4.34Å; Y704-L723 CarbonylContact C-O 3.33Å; Y704-L723 VanDerWaalsContact CA-O 3.28Å; Y704-L723 WeakPolarHBondContact CA-O 3.21Å; Y704-E724 HydrophobicContact CD1-CG 4.03Å; Y704-E724 HydrophobicContact CE1-CG 3.62Å; Y704-F725 WeakPolarHBondContact O-CE1 3.39Å
705	V	91.6	Very high	82	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.4	159.4	-174.7	0	0	0	0	108.3	L700 L723 F725 I728	L700-V705 HydrophobicContact CD1-CB 4.45Å; L700-V705 HydrophobicContact CD1-CG1 4.04Å; L700-V705 HydrophobicContact CD1-CG2 4.08Å; L700-V705 HydrophobicContact CG-CG2 4.24Å; V705-L723 HydrophobicContact CB-CB 4.4Å; V705-L723 PolarHBondContact N-O 2.83Å; V705-L723 PolarHBondContact O-N 2.91Å; V705-F725 HydrophobicContact CG2-CD1 4.06Å; V705-F725 HydrophobicContact CG2-CE1 3.67Å; V705-I728 HydrophobicContact CG2-CD1 4.01Å
706	F	90.6	Very high	81.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.2	169.4	-64.9	-96.3	0	0	0	110.2	W542 M543 E546 L547 L552 C698 V699 T701 Y704 C722	W542-F706 HydrophobicContact CH2-CB 3.64Å; W542-F706 HydrophobicContact CH2-CG 4.44Å; W542-F706 HydrophobicContact CZ2-CB 4.3Å; W542-F706 HydrophobicContact CZ3-CB 4.09Å; M543-F706 HydrophobicContact CB-CD2 4.4Å; M543-F706 HydrophobicContact CB-CE1 4.05Å; M543-F706 HydrophobicContact CB-CE2 3.84Å; M543-F706 HydrophobicContact CB-CZ 3.63Å; M543-F706 HydrophobicContact CG-CD1 4.06Å; M543-F706 HydrophobicContact CG-CD2 3.68Å; M543-F706 HydrophobicContact CG-CE1 4.02Å; M543-F706 HydrophobicContact CG-CE2 3.64Å; M543-F706 HydrophobicContact CG-CG 3.88Å; M543-F706 HydrophobicContact CG-CZ 3.8Å; M543-F706 HydrophobicContact SD-CD2 3.48Å; M543-F706 WeakPolarHBondContact SD-CD2 3.39Å; M543-F706 HydrophobicContact SD-CE2 3.62Å; M543-F706 HydrophobicContact SD-CG 4.14Å; M543-F706 HydrophobicContact SD-CZ 4.39Å; E546-F706 HydrophobicContact CB-CE1 4.16Å; L547-F706 HydrophobicContact CD1-CE2 4.45Å; L547-F706 HydrophobicContact CD1-CZ 3.65Å; L547-F706 HydrophobicContact CG-CE1 4.34Å; L547-F706 HydrophobicContact CG-CZ 3.92Å; L552-F706 HydrophobicContact CD1-CE2 4.42Å; C698-F706 WeakPolarHBondContact CA-O 3.31Å; V699-F706 HydrophobicContact CB-CB 4.37Å; V699-F706 PolarHBondContact N-O 3.15Å; V699-F706 PolarHBondContact O-N 2.86Å; T701-F706 HydrophobicContact CG2-CD2 4.15Å; T701-F706 HydrophobicContact CG2-CE2 3.82Å; Y704-F706 HydrophobicContact CG-CE2 4.34Å; F706-C722 HydrophobicContact CD1-CB 4.02Å; F706-C722 HydrophobicContact CE1-CB 4.16Å; F706-C722 VanDerWaalsContact CE1-SG 3.55Å
707	L	90.1	Very high	80.8	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.2	170.4	-59.9	176.2	0	0	0	108.2	W562 S697 C698 L720 A721 W755 L757	W562-L707 HydrophobicContact CB-CD1 4.29Å; W562-L707 HydrophobicContact CD2-CD1 3.43Å; W562-L707 VanDerWaalsContact CD2-CD1 3.43Å; W562-L707 VanDerWaalsContact CE2-CD1 3.43Å; W562-L707 HydrophobicContact CE3-CD1 4.04Å; W562-L707 HydrophobicContact CG-CD1 3.55Å; W562-L707 HydrophobicContact CZ2-CD1 4.02Å; S697-L707 WeakPolarHBondContact O-CA 3.46Å; C698-L707 HydrophobicContact CB-CD2 3.63Å; L707-L720 HydrophobicContact CB-CB 4.3Å; L707-L720 WeakPolarHBondContact O-CB 3.49Å; L707-L720 PolarHBondContact O-N 3.11Å; L707-A721 HydrophobicContact CB-CB 4.32Å; L707-A721 HydrophobicContact CD1-CB 4.29Å; L707-A721 PolarHBondContact N-O 3.07Å; L707-A721 PolarHBondContact O-N 3.24Å; L707-A721 VanDerWaalsContact O-N 3.15Å; L707-W755 HydrophobicContact CD1-CE3 4.08Å; L707-W755 HydrophobicContact CD1-CZ3 3.92Å; L707-L757 HydrophobicContact CD1-CD2 4.28Å; L707-L757 HydrophobicContact CD2-CD2 4.05Å
708	G	83.9	Confident	80.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	160.8	-174.4	0	0	0	0	0	115	S697 R718	S697-G708 PolarHBondContact N-O 3.1Å; S697-G708 PolarHBondContact O-N 2.83Å; S697-G708 VanDerWaalsContact O-N 3.1Å; S697-G708 PolarHBondContact OG-O 2.91Å; G708-R718 CarbonylContact C-O 3.59Å; G708-R718 WeakPolarHBondContact CA-O 3.29Å
709	Q	85.8	Confident	79.7	Confident	19 Å²	19	53.2 Å²	53.2	9%	0.089	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.2	179.2	-76.6	167.2	-22.4	0	0	110.6	Q429 G431 A695 C696 I717 R718 L720	Q429-Q709 CarbonylContact O-C 3.59Å; Q429-Q709 WeakPolarHBondContact O-CA 3.37Å; G431-Q709 VanDerWaalsContact CA-NE2 3.31Å; A695-Q709 PolarHBondContact O-NE2 2.81Å; C696-Q709 HydrophobicContact CB-CG 4.2Å; Q709-I717 CarbonylContact O-C 3.56Å; Q709-I717 WeakPolarHBondContact O-CA 3.37Å; Q709-R718 PolarHBondContact N-O 2.81Å; Q709-R718 PolarHBondContact O-N 2.81Å; Q709-L720 HydrophobicContact CG-CD1 3.97Å; Q709-L720 HydrophobicContact CG-CG 4.4Å
710	E	82.3	Confident	79.2	Confident	48 Å²	48	54.9 Å²	54.9	22%	0.224	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	141.6	171.7	-56.5	-175.4	171.8	0	0	109.6	Q429 K430 Q535 M539 I717	Q429-E710 HydrophobicContact CB-CG 4.33Å; Q429-E710 HydrophobicContact CG-CB 4.1Å; Q429-E710 HydrophobicContact CG-CG 4.14Å; Q429-E710 WeakPolarHBondContact CG-OE2 3.37Å; Q429-E710 PolarHBondContact O-N 2.96Å; K430-E710 VanDerWaalsContact CA-O 3.3Å; K430-E710 WeakPolarHBondContact CA-O 3.44Å; K430-E710 WeakPolarHBondContact CB-O 3.2Å; K430-E710 WeakPolarHBondContact CG-O 3.43Å; Q535-E710 PolarHBondContact NE2-OE1 3.03Å; M539-E710 HydrophobicContact CE-CG 4.22Å; M539-E710 WeakPolarHBondContact CE-OE1 3.4Å; E710-I717 HydrophobicContact CG-CG1 4.32Å
711	T	70.5	Confident	78.6	Confident	55 Å²	55	55.1 Å²	55.1	34%	0.337	29%	0.289	S	S	.	.			trans	-103.4	155.5	178.9	55.2	0	0	0	0	112.7	A714 F716	T711-A714 PolarHBondContact OG1-O 3.34Å; T711-F716 HydrophobicContact CG2-CD1 3.91Å; T711-F716 PolarHBondContact N-O 3.48Å; T711-F716 VanDerWaalsContact N-O 3.09Å; T711-F716 PolarHBondContact OG1-O 3.24Å
712	D	60.9	Low	78.4	Confident	112 Å²	112	57 Å²	57	60%	0.599	30%	0.301	S	S	*	.	S	Bend	trans	-61.7	-54.7	-176	-62.8	-86.5	0	0	0	115.1	K430 A714	K430-D712 WeakPolarHBondContact CD-OD1 3.27Å; K430-D712 VanDerWaalsContact CE-OD1 3.3Å; K430-D712 WeakPolarHBondContact CE-OD1 3.47Å; K430-D712 IonicContact NZ-OD1 2.98Å; K430-D712 PolarHBondContact NZ-OD1 3.02Å; D712-A714 PolarHBondContact O-N 3.38Å
713	D	49.9	Very low	78.5	Confident	171 Å²	171	52.5 Å²	52.5	91%	0.914	28%	0.278	S	S	*	.	S	Bend	trans	-86.2	-2.9	-165.1	-64.7	-54.9	0	0	0	115.1
714	A	49.3	Very low	78.5	Confident	56 Å²	56	55.5 Å²	55.5	46%	0.463	29%	0.285	S	S	.	.	S	Bend	trans	-154.4	157.4	176.9	0	0	0	0	0	111.2	T711 D712 F716	T711-A714 PolarHBondContact OG1-O 3.34Å; D712-A714 PolarHBondContact O-N 3.38Å; A714-F716 HydrophobicContact CB-CB 4.14Å; A714-F716 PolarHBondContact O-N 3.05Å
715	N	60.8	Low	78.4	Confident	157 Å²	157	52.8 Å²	52.8	84%	0.84	28%	0.275	S	S	*	.	S	Bend	trans	-72.3	46.2	166.4	-65.8	-89.7	0	0	0	111.3
716	F	70.7	Confident	78.2	Confident	124 Å²	124	59.3 Å²	59.3	54%	0.544	31%	0.309	S	S	.	.			trans	-97.9	147.8	173.2	175.2	-95.2	0	0	0	108.4	T711 A714 R718	T711-F716 HydrophobicContact CG2-CD1 3.91Å; T711-F716 PolarHBondContact N-O 3.48Å; T711-F716 VanDerWaalsContact N-O 3.09Å; T711-F716 PolarHBondContact OG1-O 3.24Å; A714-F716 HydrophobicContact CB-CB 4.14Å; A714-F716 PolarHBondContact O-N 3.05Å; F716-R718 HydrophobicContact CE1-CB 4.28Å
717	I	80.2	Confident	78	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.7	-178.4	-53	178.3	0	0	0	106.7	M539 W542 Q709 E710 T719	M539-I717 HydrophobicContact CE-CD1 3.53Å; M539-I717 HydrophobicContact CG-CD1 4.4Å; M539-I717 HydrophobicContact SD-CD1 3.48Å; M539-I717 WeakPolarHBondContact SD-CD1 3.32Å; W542-I717 HydrophobicContact CB-CB 4.35Å; W542-I717 HydrophobicContact CB-CD1 4.03Å; W542-I717 HydrophobicContact CB-CG1 4.43Å; W542-I717 HydrophobicContact CD2-CB 3.72Å; W542-I717 HydrophobicContact CD2-CD1 3.91Å; W542-I717 HydrophobicContact CD2-CG1 4.36Å; W542-I717 HydrophobicContact CD2-CG2 3.71Å; W542-I717 HydrophobicContact CE3-CB 4.27Å; W542-I717 HydrophobicContact CE3-CD1 3.71Å; W542-I717 HydrophobicContact CE3-CG2 3.98Å; W542-I717 HydrophobicContact CG-CB 3.73Å; W542-I717 HydrophobicContact CG-CD1 4.06Å; W542-I717 HydrophobicContact CG-CG1 4.29Å; W542-I717 HydrophobicContact CG-CG2 4.27Å; W542-I717 HydrophobicContact CH2-CG2 3.98Å; W542-I717 HydrophobicContact CZ2-CG2 3.74Å; W542-I717 HydrophobicContact CZ3-CD1 4.44Å; W542-I717 HydrophobicContact CZ3-CG2 4.1Å; W542-I717 PolarHBondContact NE1-O 3.37Å; Q709-I717 CarbonylContact O-C 3.56Å; Q709-I717 WeakPolarHBondContact O-CA 3.37Å; E710-I717 HydrophobicContact CG-CG1 4.32Å; I717-T719 PolarHBondContact O-N 3.23Å
718	R	80.4	Confident	77.9	Confident	148 Å²	148	61 Å²	61	56%	0.558	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	112.2	173.6	-179.7	-173.1	-179.7	-173.9	2.5	108.6	G708 Q709 F716 L720	G708-R718 CarbonylContact C-O 3.59Å; G708-R718 WeakPolarHBondContact CA-O 3.29Å; Q709-R718 PolarHBondContact N-O 2.81Å; Q709-R718 PolarHBondContact O-N 2.81Å; F716-R718 HydrophobicContact CE1-CB 4.28Å; R718-L720 PolarHBondContact O-N 2.6Å
719	T	83.2	Confident	78	Confident	37 Å²	37	65.7 Å²	65.7	23%	0.227	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	123.6	171.3	-54.5	0	0	0	0	110.2	W542 E546 I717	W542-T719 PolarHBondContact NE1-OG1 3.06Å; E546-T719 HydrophobicContact CG-CG2 4.48Å; E546-T719 WeakPolarHBondContact CG-OG1 3.46Å; E546-T719 WeakPolarHBondContact OE1-CB 3.18Å; E546-T719 PolarHBondContact OE1-OG1 2.97Å; I717-T719 PolarHBondContact O-N 3.23Å
720	L	83.3	Confident	78	Confident	35 Å²	35	65.4 Å²	65.4	18%	0.183	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-42.9	170.9	-64.5	-177.1	0	0	0	110.6	W562 L694 C696 L707 Q709 R718	W562-L720 HydrophobicContact CE3-CB 4.32Å; W562-L720 HydrophobicContact CE3-CD1 4.28Å; W562-L720 HydrophobicContact CZ3-CB 3.8Å; W562-L720 HydrophobicContact CZ3-CD1 4.42Å; L694-L720 HydrophobicContact CB-CD1 4.46Å; L694-L720 HydrophobicContact CD1-CD1 4.14Å; C696-L720 HydrophobicContact CB-CD1 3.63Å; L707-L720 HydrophobicContact CB-CB 4.3Å; L707-L720 WeakPolarHBondContact O-CB 3.49Å; L707-L720 PolarHBondContact O-N 3.11Å; Q709-L720 HydrophobicContact CG-CD1 3.97Å; Q709-L720 HydrophobicContact CG-CG 4.4Å; R718-L720 PolarHBondContact O-N 2.6Å
721	A	83.3	Confident	78.4	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.033	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	150.3	172.6	0	0	0	0	0	111.8	W562 L707 W755	W562-A721 HydrophobicContact CH2-CB 3.84Å; W562-A721 HydrophobicContact CZ2-CB 4.03Å; L707-A721 HydrophobicContact CB-CB 4.32Å; L707-A721 HydrophobicContact CD1-CB 4.29Å; L707-A721 PolarHBondContact N-O 3.07Å; L707-A721 PolarHBondContact O-N 3.24Å; L707-A721 VanDerWaalsContact O-N 3.15Å; A721-W755 HydrophobicContact CB-CH2 3.63Å; A721-W755 HydrophobicContact CB-CZ2 4.41Å; A721-W755 HydrophobicContact CB-CZ3 4.07Å
722	C	86.7	Confident	79.1	Confident	40 Å²	40	61.1 Å²	61.1	27%	0.27	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.2	165.6	175.3	0	0	0	0	107.8	F706	F706-C722 HydrophobicContact CD1-CB 4.02Å; F706-C722 HydrophobicContact CE1-CB 4.16Å; F706-C722 VanDerWaalsContact CE1-SG 3.55Å
723	L	87	Confident	80.4	Confident	3 Å²	3	57 Å²	57	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	121.4	-172.8	177.8	59.9	0	0	0	111	Y704 V705 C727 I728 V744 T746 W755	Y704-L723 CarbonylContact C-O 3.33Å; Y704-L723 VanDerWaalsContact CA-O 3.28Å; Y704-L723 WeakPolarHBondContact CA-O 3.21Å; V705-L723 HydrophobicContact CB-CB 4.4Å; V705-L723 PolarHBondContact N-O 2.83Å; V705-L723 PolarHBondContact O-N 2.91Å; L723-C727 HydrophobicContact CD1-CB 3.51Å; L723-I728 HydrophobicContact CD2-CD1 4.17Å; L723-I728 HydrophobicContact CD2-CG1 3.77Å; L723-I728 HydrophobicContact CG-CG1 4.22Å; L723-V744 HydrophobicContact CD1-CG1 3.49Å; L723-V744 VanDerWaalsContact CD1-CG1 3.49Å; L723-V744 HydrophobicContact CD2-CB 4.44Å; L723-V744 HydrophobicContact CD2-CG1 3.78Å; L723-V744 HydrophobicContact CD2-CG2 3.74Å; L723-V744 HydrophobicContact CG-CG1 4.31Å; L723-T746 HydrophobicContact CD1-CG2 3.47Å; L723-T746 VanDerWaalsContact CD1-CG2 3.47Å; L723-W755 HydrophobicContact CB-CH2 3.96Å; L723-W755 HydrophobicContact CB-CZ3 4.13Å; L723-W755 HydrophobicContact CD2-CE3 4.18Å; L723-W755 HydrophobicContact CD2-CH2 3.92Å; L723-W755 HydrophobicContact CD2-CZ3 3.72Å; L723-W755 HydrophobicContact CG-CH2 4.41Å
724	E	87.6	Confident	82	Confident	86 Å²	86	49.7 Å²	49.7	40%	0.402	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	140.4	169.4	-64.4	-164.2	-172.8	0	0	111.1	Y704 N726 C727	Y704-E724 HydrophobicContact CD1-CG 4.03Å; Y704-E724 HydrophobicContact CE1-CG 3.62Å; E724-N726 HydrophobicContact CB-CB 4.39Å; E724-N726 PolarHBondContact O-N 2.84Å; E724-N726 VanDerWaalsContact O-N 3.13Å; E724-N726 PolarHBondContact OE2-ND2 3.43Å; E724-C727 WeakPolarHBondContact O-CB 3.37Å; E724-C727 PolarHBondContact O-N 2.88Å
725	F	89.3	Confident	83.5	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.035	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.8	-28.4	170.6	-72.3	-9	0	0	0	113	L700 T701 G703 Y704 V705 C727 I728 L772 H775 L776	L700-F725 HydrophobicContact CB-CZ 4.48Å; L700-F725 HydrophobicContact CD2-CE1 4.5Å; L700-F725 HydrophobicContact CD2-CZ 4.35Å; L700-F725 HydrophobicContact CG-CE1 4.2Å; L700-F725 HydrophobicContact CG-CZ 4.18Å; T701-F725 WeakPolarHBondContact O-CE2 3.42Å; T701-F725 WeakPolarHBondContact O-CZ 3.49Å; G703-F725 VanDerWaalsContact C-CD2 3.44Å; G703-F725 VanDerWaalsContact C-CG 3.45Å; G703-F725 VanDerWaalsContact CA-CD2 3.4Å; G703-F725 WeakPolarHBondContact O-CB 3.23Å; G703-F725 VanDerWaalsContact O-CG 3.32Å; G703-F725 WeakPolarHBondContact O-CG 3.45Å; G703-F725 PolarHBondContact O-N 3.09Å; Y704-F725 WeakPolarHBondContact O-CE1 3.39Å; V705-F725 HydrophobicContact CG2-CD1 4.06Å; V705-F725 HydrophobicContact CG2-CE1 3.67Å; F725-C727 PolarHBondContact O-N 3.09Å; F725-I728 HydrophobicContact CD1-CD1 4.25Å; F725-I728 PolarHBondContact O-N 3.36Å; F725-L772 HydrophobicContact CD1-CD1 4.14Å; F725-L772 HydrophobicContact CE1-CD1 4.01Å; F725-H775 HydrophobicContact CD2-CB 3.72Å; F725-H775 HydrophobicContact CE2-CB 3.36Å; F725-H775 AromaticContact CE2-CG 3.68Å; F725-H775 HydrophobicContact CZ-CB 4.32Å; F725-L776 HydrophobicContact CB-CD1 3.86Å; F725-L776 HydrophobicContact CB-CD2 3.93Å; F725-L776 HydrophobicContact CB-CG 3.93Å; F725-L776 HydrophobicContact CG-CD1 4.29Å; F725-L776 HydrophobicContact CG-CG 4.34Å; F725-L776 WeakPolarHBondContact O-CD1 3.5Å
726	N	85.8	Confident	84	Confident	137 Å²	137	48 Å²	48	73%	0.733	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.5	174.9	-62.1	-49.1	0	0	0	114.2	E724	E724-N726 HydrophobicContact CB-CB 4.39Å; E724-N726 PolarHBondContact O-N 2.84Å; E724-N726 VanDerWaalsContact O-N 3.13Å; E724-N726 PolarHBondContact OE2-ND2 3.43Å
727	C	86.4	Confident	84.3	Confident	27 Å²	27	42.7 Å²	42.7	18%	0.182	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-95.5	-1.5	-177.8	-67.2	0	0	0	0	113	L723 E724 F725 V744 Q745 T746	L723-C727 HydrophobicContact CD1-CB 3.51Å; E724-C727 WeakPolarHBondContact O-CB 3.37Å; E724-C727 PolarHBondContact O-N 2.88Å; F725-C727 PolarHBondContact O-N 3.09Å; C727-V744 WeakPolarHBondContact O-CA 3.3Å; C727-Q745 WeakPolarHBondContact CA-O 3.38Å; C727-Q745 VanDerWaalsContact CB-O 3.26Å; C727-Q745 WeakPolarHBondContact CB-O 3.44Å; C727-Q745 PolarHBondContact O-N 3.27Å; C727-Q745 PolarHBondContact SG-O 3.12Å; C727-T746 HydrophobicContact CB-CG2 3.75Å
728	I	89.1	Confident	84.6	Confident	11 Å²	11	44 Å²	44	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.5	175.9	-53.6	171.8	0	0	0	108.2	V705 L723 F725 L742 L772 L776 L779	V705-I728 HydrophobicContact CG2-CD1 4.01Å; L723-I728 HydrophobicContact CD2-CD1 4.17Å; L723-I728 HydrophobicContact CD2-CG1 3.77Å; L723-I728 HydrophobicContact CG-CG1 4.22Å; F725-I728 HydrophobicContact CD1-CD1 4.25Å; F725-I728 PolarHBondContact O-N 3.36Å; I728-L742 HydrophobicContact CG2-CB 4.46Å; I728-L742 HydrophobicContact CG2-CD2 4.17Å; I728-L772 HydrophobicContact CD1-CD1 3.9Å; I728-L776 HydrophobicContact CB-CD1 4.37Å; I728-L776 HydrophobicContact CD1-CD1 4.49Å; I728-L779 HydrophobicContact CB-CD1 4.5Å; I728-L779 HydrophobicContact CG2-CD1 3.86Å
729	Q	85.6	Confident	85	Confident	98 Å²	98	37 Å²	37	46%	0.458	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-45.3	-178.1	-63.9	-164.4	-6.5	0	0	112.5	D743 Q745	Q729-D743 PolarHBondContact N-O 2.75Å; Q729-Q745 HydrophobicContact CG-CB 4.17Å
730	S	86.5	Confident	85.3	Confident	12 Å²	12	35.2 Å²	35.2	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163.7	-179.6	67.9	0	0	0	0	111.5	D743 H780	S730-D743 PolarHBondContact O-N 3.37Å; S730-D743 VanDerWaalsContact O-N 3.13Å; S730-D743 WeakPolarHBondContact OG-CB 3.25Å; S730-H780 CarbonylContact C-O 3.39Å; S730-H780 VanDerWaalsContact CA-O 3.24Å; S730-H780 WeakPolarHBondContact CA-O 3.47Å; S730-H780 VanDerWaalsContact CB-O 3.29Å; S730-H780 WeakPolarHBondContact CB-O 3.45Å
731	V	89.1	Confident	85.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.6	168.2	63.7	0	0	0	0	110.5	A740 I741 L742 L772 L779 H780 Q781 E782	V731-A740 HydrophobicContact CG2-CB 4.44Å; V731-I741 WeakPolarHBondContact CA-O 3.2Å; V731-L742 HydrophobicContact CB-CD2 4.24Å; V731-L742 HydrophobicContact CG2-CD2 3.89Å; V731-L772 HydrophobicContact CB-CD2 4.44Å; V731-L772 HydrophobicContact CG2-CD2 4.44Å; V731-L779 HydrophobicContact CB-CD2 3.95Å; V731-L779 HydrophobicContact CB-CG 4.47Å; V731-L779 HydrophobicContact CG1-CD2 3.45Å; V731-L779 VanDerWaalsContact CG1-CD2 3.45Å; V731-L779 HydrophobicContact CG1-CG 3.91Å; V731-H780 PolarHBondContact N-O 3.01Å; V731-Q781 HydrophobicContact CG1-CB 4.46Å; V731-Q781 HydrophobicContact CG1-CG 4.46Å; V731-Q781 WeakPolarHBondContact O-CA 3.29Å; V731-E782 PolarHBondContact O-N 3.14Å
732	V	86.9	Confident	85.9	Confident	14 Å²	14	33.6 Å²	33.6	9%	0.085	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.7	170.6	-173.8	0	0	0	0	107.7	A740 I741 E782 L784	V732-A740 CarbonylContact O-C 3.58Å; V732-A740 WeakPolarHBondContact O-CA 3.4Å; V732-I741 HydrophobicContact CB-CB 4.16Å; V732-I741 PolarHBondContact N-O 3.32Å; V732-I741 PolarHBondContact O-N 2.95Å; V732-E782 HydrophobicContact CG2-CB 4Å; V732-L784 HydrophobicContact CG1-CB 3.69Å; V732-L784 HydrophobicContact CG1-CD1 4.13Å; V732-L784 HydrophobicContact CG1-CG 4.41Å
733	A	87.8	Confident	86	Confident	24 Å²	24	33.5 Å²	33.5	20%	0.198	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.7	-179.1	0	0	0	0	0	110.7	V769	A733-V769 HydrophobicContact CB-CG2 3.85Å
734	Q	82.4	Confident	86	Confident	18 Å²	18	33.3 Å²	33.3	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	85.9	-176.4	-172.5	165.3	-10.1	0	0	110.7	S736 D737 N738 C739 S791 C794	Q734-S736 WeakPolarHBondContact CG-OG 3.33Å; Q734-S736 PolarHBondContact O-N 3.09Å; Q734-D737 HydrophobicContact CG-CB 4.02Å; Q734-D737 WeakPolarHBondContact CG-OD2 3.45Å; Q734-D737 PolarHBondContact NE2-OD2 3.12Å; Q734-D737 CarbonylContact O-C 3.55Å; Q734-D737 PolarHBondContact O-N 3.3Å; Q734-N738 PolarHBondContact O-N 2.89Å; Q734-N738 VanDerWaalsContact O-N 3.12Å; Q734-C739 PolarHBondContact N-O 2.89Å; Q734-C739 PolarHBondContact O-N 3.15Å; Q734-S791 PolarHBondContact NE2-OG 3.12Å; Q734-C794 VanDerWaalsContact OE1-CB 3.24Å; Q734-C794 PolarHBondContact OE1-SG 2.91Å
735	S	80.8	Confident	85.7	Confident	88 Å²	88	35 Å²	35	62%	0.615	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.7	-174.7	-48.8	0	0	0	0	115.6	D737	S735-D737 VanDerWaalsContact C-N 3.33Å
736	S	72.7	Confident	85.1	Confident	90 Å²	90	36 Å²	36	63%	0.629	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.8	171.2	44.2	0	0	0	0	112.8	Q734	Q734-S736 WeakPolarHBondContact CG-OG 3.33Å; Q734-S736 PolarHBondContact O-N 3.09Å
737	D	76.2	Confident	84.1	Confident	13 Å²	13	39.2 Å²	39.2	7%	0.07	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	8.4	-167.5	-63.6	-82.5	0	0	0	111.6	Q734 S735 C739 C794 N795 A798	Q734-D737 HydrophobicContact CG-CB 4.02Å; Q734-D737 WeakPolarHBondContact CG-OD2 3.45Å; Q734-D737 PolarHBondContact NE2-OD2 3.12Å; Q734-D737 CarbonylContact O-C 3.55Å; Q734-D737 PolarHBondContact O-N 3.3Å; S735-D737 VanDerWaalsContact C-N 3.33Å; D737-C739 PolarHBondContact O-N 3.29Å; D737-C739 VanDerWaalsContact O-N 3.09Å; D737-C739 PolarHBondContact O-SG 3.48Å; D737-C794 HydrophobicContact CB-CB 3.94Å; D737-N795 WeakPolarHBondContact OD1-CA 3.36Å; D737-N795 PolarHBondContact OD1-ND2 2.91Å; D737-N795 VanDerWaalsContact OD1-ND2 3.12Å; D737-N795 PolarHBondContact OD1-OD1 3.36Å; D737-A798 HydrophobicContact CB-CB 3.78Å; D737-A798 VanDerWaalsContact O-CB 3.25Å; D737-A798 WeakPolarHBondContact O-CB 3.38Å
738	N	86.1	Confident	82.9	Confident	32 Å²	32	43.2 Å²	43.2	17%	0.171	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	34.3	-177.5	-56.3	-18.3	0	0	0	113.4	Q734 F759 A760 A761 A762	Q734-N738 PolarHBondContact O-N 2.89Å; Q734-N738 VanDerWaalsContact O-N 3.12Å; N738-F759 HydrophobicContact CB-CB 4.49Å; N738-F759 WeakPolarHBondContact CB-O 3.32Å; N738-F759 WeakPolarHBondContact O-CD2 3.25Å; N738-F759 PolarHBondContact O-N 2.86Å; N738-A760 PolarHBondContact ND2-O 2.99Å; N738-A761 WeakPolarHBondContact ND2-CA 3.36Å; N738-A762 VanDerWaalsContact OD1-CA 3.3Å; N738-A762 WeakPolarHBondContact OD1-CA 3.33Å; N738-A762 WeakPolarHBondContact OD1-CB 3.41Å; N738-A762 PolarHBondContact OD1-N 2.78Å
739	C	88.6	Confident	81.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.4	-176.5	-71	0	0	0	0	112.9	Q734 D737 L756 L757 S758 C794	Q734-C739 PolarHBondContact N-O 2.89Å; Q734-C739 PolarHBondContact O-N 3.15Å; D737-C739 PolarHBondContact O-N 3.29Å; D737-C739 VanDerWaalsContact O-N 3.09Å; D737-C739 PolarHBondContact O-SG 3.48Å; C739-L756 HydrophobicContact CB-CD1 3.94Å; C739-L757 CarbonylContact C-O 3.54Å; C739-L757 WeakPolarHBondContact CA-O 3.46Å; C739-S758 VanDerWaalsContact SG-CB 3.6Å; C739-S758 PolarHBondContact SG-OG 3.22Å; C739-S758 VanDerWaalsContact SG-OG 3.37Å; C739-C794 HydrophobicContact CB-CB 4.07Å
740	A	90.9	Very high	80.2	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.8	163.1	0	0	0	0	0	109.6	V731 V732 L757 F759 L765 F768	V731-A740 HydrophobicContact CG2-CB 4.44Å; V732-A740 CarbonylContact O-C 3.58Å; V732-A740 WeakPolarHBondContact O-CA 3.4Å; A740-L757 PolarHBondContact N-O 3.32Å; A740-L757 PolarHBondContact O-N 2.95Å; A740-F759 HydrophobicContact CB-CE2 4.19Å; A740-L765 HydrophobicContact CB-CD1 3.7Å; A740-F768 HydrophobicContact CB-CD1 4.25Å; A740-F768 HydrophobicContact CB-CE1 3.91Å
741	I	89.2	Confident	79	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.8	165.5	-56.7	167.8	0	0	0	107.3	I566 V731 V732 K754 W755 L756 L790	I566-I741 HydrophobicContact CD1-CB 4.36Å; I566-I741 HydrophobicContact CD1-CD1 4.23Å; I566-I741 HydrophobicContact CD1-CG1 3.87Å; I566-I741 HydrophobicContact CD1-CG2 3.71Å; V731-I741 WeakPolarHBondContact CA-O 3.2Å; V732-I741 HydrophobicContact CB-CB 4.16Å; V732-I741 PolarHBondContact N-O 3.32Å; V732-I741 PolarHBondContact O-N 2.95Å; I741-K754 HydrophobicContact CG2-CB 3.82Å; I741-K754 HydrophobicContact CG2-CD 4.08Å; I741-K754 HydrophobicContact CG2-CG 4.03Å; I741-W755 VanDerWaalsContact CA-O 3.32Å; I741-W755 WeakPolarHBondContact CA-O 3.32Å; I741-L756 HydrophobicContact CD1-CD1 4.41Å; I741-L756 HydrophobicContact CG1-CD1 3.56Å; I741-L790 HydrophobicContact CD1-CB 3.93Å; I741-L790 HydrophobicContact CD1-CD1 4.06Å; I741-L790 HydrophobicContact CD1-CD2 4.24Å; I741-L790 HydrophobicContact CD1-CG 4.3Å
742	L	90	Very high	78	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.4	170.4	-57.4	176.6	0	0	0	108	I728 V731 V744 K754 W755 L757 F768 L772	I728-L742 HydrophobicContact CG2-CB 4.46Å; I728-L742 HydrophobicContact CG2-CD2 4.17Å; V731-L742 HydrophobicContact CB-CD2 4.24Å; V731-L742 HydrophobicContact CG2-CD2 3.89Å; L742-V744 HydrophobicContact CB-CG2 3.89Å; L742-K754 CarbonylContact O-C 3.56Å; L742-K754 VanDerWaalsContact O-CA 3.25Å; L742-K754 WeakPolarHBondContact O-CA 3.32Å; L742-W755 PolarHBondContact N-O 3.39Å; L742-W755 PolarHBondContact O-N 2.81Å; L742-L757 HydrophobicContact CD1-CD1 3.85Å; L742-L757 HydrophobicContact CG-CD1 4.42Å; L742-F768 HydrophobicContact CD1-CZ 4.33Å; L742-F768 HydrophobicContact CD2-CE1 4.27Å; L742-F768 HydrophobicContact CD2-CZ 4.2Å; L742-L772 HydrophobicContact CD2-CD2 3.83Å
743	D	87.8	Confident	77.7	Confident	37 Å²	37	56.2 Å²	56.2	20%	0.198	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116	167.4	-155.2	-36.1	0	0	0	109	Q729 S730 K754	Q729-D743 PolarHBondContact N-O 2.75Å; S730-D743 PolarHBondContact O-N 3.37Å; S730-D743 VanDerWaalsContact O-N 3.13Å; S730-D743 WeakPolarHBondContact OG-CB 3.25Å; D743-K754 HydrophobicContact CB-CG 4.18Å; D743-K754 WeakPolarHBondContact OD2-CE 3.39Å; D743-K754 IonicContact OD2-NZ 3.06Å; D743-K754 PolarHBondContact OD2-NZ 3.23Å
744	V	86.4	Confident	77.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.9	-166.2	-177	0	0	0	0	110.9	L723 C727 L742 T746 N751 C752 G753 W755	L723-V744 HydrophobicContact CD1-CG1 3.49Å; L723-V744 VanDerWaalsContact CD1-CG1 3.49Å; L723-V744 HydrophobicContact CD2-CB 4.44Å; L723-V744 HydrophobicContact CD2-CG1 3.78Å; L723-V744 HydrophobicContact CD2-CG2 3.74Å; L723-V744 HydrophobicContact CG-CG1 4.31Å; C727-V744 WeakPolarHBondContact O-CA 3.3Å; L742-V744 HydrophobicContact CB-CG2 3.89Å; V744-T746 HydrophobicContact CG1-CG2 3.87Å; V744-N751 WeakPolarHBondContact CG1-O 3.38Å; V744-C752 CarbonylContact O-C 3.56Å; V744-C752 WeakPolarHBondContact O-CA 3.44Å; V744-C752 PolarHBondContact O-SG 3.07Å; V744-C752 VanDerWaalsContact O-SG 3.41Å; V744-G753 WeakPolarHBondContact CB-O 3.38Å; V744-G753 PolarHBondContact N-O 2.62Å; V744-G753 PolarHBondContact O-N 3Å; V744-W755 HydrophobicContact CG1-CZ2 4.41Å; V744-W755 HydrophobicContact CG2-CD2 3.99Å; V744-W755 HydrophobicContact CG2-CE3 4.47Å; V744-W755 HydrophobicContact CG2-CG 4.04Å
745	Q	83.1	Confident	77.8	Confident	120 Å²	120	56.7 Å²	56.7	56%	0.561	30%	0.304	S	S	*	.			trans	-117.1	100.3	170.5	-175.6	176.9	68.2	0	0	110.2	C727 Q729	C727-Q745 WeakPolarHBondContact CA-O 3.38Å; C727-Q745 VanDerWaalsContact CB-O 3.26Å; C727-Q745 WeakPolarHBondContact CB-O 3.44Å; C727-Q745 PolarHBondContact O-N 3.27Å; C727-Q745 PolarHBondContact SG-O 3.12Å; Q729-Q745 HydrophobicContact CG-CB 4.17Å
746	T	74.8	Confident	78.2	Confident	29 Å²	29	52.6 Å²	52.6	18%	0.178	28%	0.275	C	S	.	.			trans	-105	170.8	170.4	64.8	0	0	0	0	111.1	L723 C727 V744 N748 N751	L723-T746 HydrophobicContact CD1-CG2 3.47Å; L723-T746 VanDerWaalsContact CD1-CG2 3.47Å; C727-T746 HydrophobicContact CB-CG2 3.75Å; V744-T746 HydrophobicContact CG1-CG2 3.87Å; T746-N748 PolarHBondContact O-N 3.12Å; T746-N748 PolarHBondContact OG1-N 3.48Å; T746-N748 PolarHBondContact OG1-O 3.22Å; T746-N751 HydrophobicContact CG2-CB 4.41Å; T746-N751 WeakPolarHBondContact CG2-O 3.48Å; T746-N751 PolarHBondContact OG1-O 3.45Å
747	K	66.6	Low	79.1	Confident	206 Å²	206	48.3 Å²	48.3	90%	0.896	25%	0.245	S	C	*	.	S	Bend	trans	-76.3	-9.7	170.8	-65.2	176.2	-176.7	168	0	113.3
748	N	61.3	Low	79.8	Confident	110 Å²	110	47.7 Å²	47.7	59%	0.588	24%	0.242	S	C	*	.	S	Bend	trans	-104.9	107.6	-176.9	-64	-2.5	0	0	0	107.4	T746 N750 N751	T746-N748 PolarHBondContact O-N 3.12Å; T746-N748 PolarHBondContact OG1-N 3.48Å; T746-N748 PolarHBondContact OG1-O 3.22Å; N748-N750 PolarHBondContact O-N 2.65Å; N748-N751 PolarHBondContact O-N 3.05Å
749	E	59.3	Low	80.1	Confident	154 Å²	154	46.2 Å²	46.2	72%	0.72	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-51.1	-35.4	-173.2	-60.9	-179.3	161.6	0	0	113.2	N751 C752	E749-N751 PolarHBondContact O-N 3.39Å; E749-C752 WeakPolarHBondContact O-CB 3.48Å; E749-C752 PolarHBondContact O-N 2.94Å
750	N	56.7	Low	80	Confident	141 Å²	141	47.4 Å²	47.4	75%	0.754	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-60.2	-25.6	177.2	-58.7	2.9	0	0	0	114.5	N748	N748-N750 PolarHBondContact O-N 2.65Å
751	N	61.8	Low	79.8	Confident	47 Å²	47	47.9 Å²	47.9	25%	0.251	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-115.3	39	-177.7	-70.9	21.3	0	0	0	110.4	V744 T746 N748 E749 W755	V744-N751 WeakPolarHBondContact CG1-O 3.38Å; T746-N751 HydrophobicContact CG2-CB 4.41Å; T746-N751 WeakPolarHBondContact CG2-O 3.48Å; T746-N751 PolarHBondContact OG1-O 3.45Å; N748-N751 PolarHBondContact O-N 3.05Å; E749-N751 PolarHBondContact O-N 3.39Å; N751-W755 HydrophobicContact CB-CZ2 4.14Å
752	C	68.5	Low	79.8	Confident	52 Å²	52	49.3 Å²	49.3	35%	0.351	26%	0.261	S	S	.	.			trans	-125.8	151.1	-178.8	-165.2	0	0	0	0	110.9	V744 E749	V744-C752 CarbonylContact O-C 3.56Å; V744-C752 WeakPolarHBondContact O-CA 3.44Å; V744-C752 PolarHBondContact O-SG 3.07Å; V744-C752 VanDerWaalsContact O-SG 3.41Å; E749-C752 WeakPolarHBondContact O-CB 3.48Å; E749-C752 PolarHBondContact O-N 2.94Å
753	G	80.2	Confident	79.7	Confident	15 Å²	15	53.7 Å²	53.7	16%	0.155	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97	-176.5	-172.6	0	0	0	0	0	112.7	V744	V744-G753 WeakPolarHBondContact CB-O 3.38Å; V744-G753 PolarHBondContact N-O 2.62Å; V744-G753 PolarHBondContact O-N 3Å
754	K	83.8	Confident	80	Confident	48 Å²	48	52.5 Å²	52.5	21%	0.209	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.2	-174.3	-69.5	173.7	-160.3	66.3	0	112.6	S565 I566 D567 I741 L742 D743	S565-K754 CarbonylContact C-O 3.24Å; S565-K754 VanDerWaalsContact CA-O 3.29Å; S565-K754 WeakPolarHBondContact CA-O 3.45Å; I566-K754 HydrophobicContact CB-CB 4.32Å; I566-K754 HydrophobicContact CD1-CB 4.08Å; I566-K754 HydrophobicContact CG1-CB 4.25Å; I566-K754 WeakPolarHBondContact CG1-O 3.42Å; I566-K754 PolarHBondContact N-O 2.77Å; D567-K754 IonicContact OD1-NZ 3.31Å; D567-K754 PolarHBondContact OD1-NZ 2.67Å; D567-K754 WeakPolarHBondContact OD2-CB 3.42Å; D567-K754 WeakPolarHBondContact OD2-CG 3.38Å; D567-K754 PolarHBondContact OD2-N 3.03Å; D567-K754 IonicContact OD2-NZ 3.33Å; D567-K754 PolarHBondContact OD2-NZ 2.99Å; I741-K754 HydrophobicContact CG2-CB 3.82Å; I741-K754 HydrophobicContact CG2-CD 4.08Å; I741-K754 HydrophobicContact CG2-CG 4.03Å; L742-K754 CarbonylContact O-C 3.56Å; L742-K754 VanDerWaalsContact O-CA 3.25Å; L742-K754 WeakPolarHBondContact O-CA 3.32Å; D743-K754 HydrophobicContact CB-CG 4.18Å; D743-K754 WeakPolarHBondContact OD2-CE 3.39Å; D743-K754 IonicContact OD2-NZ 3.06Å; D743-K754 PolarHBondContact OD2-NZ 3.23Å
755	W	89.2	Confident	80.3	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.011	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.3	171.4	-64.1	4.2	0	0	0	110	W562 Y563 P564 L707 A721 L723 I741 L742 V744 N751	W562-W755 HydrophobicContact CZ2-CD2 4.2Å; W562-W755 HydrophobicContact CZ2-CE3 4.28Å; W562-W755 HydrophobicContact CZ2-CH2 4.39Å; W562-W755 HydrophobicContact CZ2-CZ2 4.28Å; W562-W755 HydrophobicContact CZ2-CZ3 4.38Å; W562-W755 AromaticContact NE1-CD2 3.55Å; W562-W755 AromaticContact NE1-CE3 3.54Å; W562-W755 AromaticContact NE1-CG 3.67Å; Y563-W755 WeakPolarHBondContact O-CA 3.35Å; P564-W755 PolarHBondContact O-NE1 2.88Å; L707-W755 HydrophobicContact CD1-CE3 4.08Å; L707-W755 HydrophobicContact CD1-CZ3 3.92Å; A721-W755 HydrophobicContact CB-CH2 3.63Å; A721-W755 HydrophobicContact CB-CZ2 4.41Å; A721-W755 HydrophobicContact CB-CZ3 4.07Å; L723-W755 HydrophobicContact CB-CH2 3.96Å; L723-W755 HydrophobicContact CB-CZ3 4.13Å; L723-W755 HydrophobicContact CD2-CE3 4.18Å; L723-W755 HydrophobicContact CD2-CH2 3.92Å; L723-W755 HydrophobicContact CD2-CZ3 3.72Å; L723-W755 HydrophobicContact CG-CH2 4.41Å; I741-W755 VanDerWaalsContact CA-O 3.32Å; I741-W755 WeakPolarHBondContact CA-O 3.32Å; L742-W755 PolarHBondContact N-O 3.39Å; L742-W755 PolarHBondContact O-N 2.81Å; V744-W755 HydrophobicContact CG1-CZ2 4.41Å; V744-W755 HydrophobicContact CG2-CD2 3.99Å; V744-W755 HydrophobicContact CG2-CE3 4.47Å; V744-W755 HydrophobicContact CG2-CG 4.04Å; N751-W755 HydrophobicContact CB-CZ2 4.14Å
756	L	88.3	Confident	80.7	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.5	168.9	-167.1	65.9	0	0	0	109.6	W562 Y563 I566 C739 I741 A797	W562-L756 WeakPolarHBondContact CA-O 3.45Å; Y563-L756 HydrophobicContact CD2-CB 3.79Å; Y563-L756 HydrophobicContact CD2-CD2 3.75Å; Y563-L756 HydrophobicContact CD2-CG 4.03Å; Y563-L756 HydrophobicContact CE2-CD2 3.98Å; Y563-L756 HydrophobicContact CG-CB 4.07Å; Y563-L756 HydrophobicContact CG-CD2 4.19Å; Y563-L756 PolarHBondContact N-O 3.28Å; Y563-L756 PolarHBondContact O-N 2.84Å; Y563-L756 VanDerWaalsContact O-N 3.07Å; I566-L756 HydrophobicContact CD1-CB 3.67Å; I566-L756 HydrophobicContact CD1-CD1 4.18Å; I566-L756 HydrophobicContact CD1-CG 4.46Å; I566-L756 HydrophobicContact CG1-CB 4Å; C739-L756 HydrophobicContact CB-CD1 3.94Å; I741-L756 HydrophobicContact CD1-CD1 4.41Å; I741-L756 HydrophobicContact CG1-CD1 3.56Å; L756-A797 HydrophobicContact CD2-CB 3.81Å
757	L	92.4	Very high	81.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114	167.5	-63.7	173.8	0	0	0	108.1	V560 W562 L707 C739 A740 L742 F759 F768	V560-L757 HydrophobicContact CG2-CD2 4.2Å; W562-L757 HydrophobicContact CB-CD2 3.98Å; W562-L757 HydrophobicContact CG-CD2 4.09Å; L707-L757 HydrophobicContact CD1-CD2 4.28Å; L707-L757 HydrophobicContact CD2-CD2 4.05Å; C739-L757 CarbonylContact C-O 3.54Å; C739-L757 WeakPolarHBondContact CA-O 3.46Å; A740-L757 PolarHBondContact N-O 3.32Å; A740-L757 PolarHBondContact O-N 2.95Å; L742-L757 HydrophobicContact CD1-CD1 3.85Å; L742-L757 HydrophobicContact CG-CD1 4.42Å; L757-F759 HydrophobicContact CB-CE2 3.86Å; L757-F759 HydrophobicContact CB-CZ 4.22Å; L757-F759 WeakPolarHBondContact O-CE2 3.33Å; L757-F768 HydrophobicContact CD1-CE1 4.35Å; L757-F768 HydrophobicContact CD1-CE2 3.85Å; L757-F768 HydrophobicContact CD1-CZ 3.55Å
758	S	90	Very high	82.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135	175.4	-171.9	0	0	0	0	110.4	V560 F561 C739 W801	V560-S758 VanDerWaalsContact CA-O 3.3Å; V560-S758 WeakPolarHBondContact CA-O 3.24Å; V560-S758 WeakPolarHBondContact CB-O 3.3Å; F561-S758 PolarHBondContact N-O 2.62Å; F561-S758 PolarHBondContact O-N 3.46Å; C739-S758 VanDerWaalsContact SG-CB 3.6Å; C739-S758 PolarHBondContact SG-OG 3.22Å; C739-S758 VanDerWaalsContact SG-OG 3.37Å; S758-W801 WeakPolarHBondContact O-CZ2 3.47Å; S758-W801 PolarHBondContact OG-NE1 3.23Å
759	F	92.3	Very high	84.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148	-176.1	-60	-101	0	0	0	109.9	F556 A558 V560 N738 A740 L757 A761 E764 L765 F768 W801	F556-F759 HydrophobicContact CE1-CE1 4.36Å; F556-F759 HydrophobicContact CZ-CE1 4.15Å; A558-F759 HydrophobicContact CB-CD1 4.19Å; A558-F759 HydrophobicContact CB-CE1 4.11Å; V560-F759 HydrophobicContact CG1-CD1 3.61Å; V560-F759 HydrophobicContact CG1-CE1 3.53Å; V560-F759 HydrophobicContact CG1-CG 4.19Å; V560-F759 HydrophobicContact CG1-CZ 4.03Å; N738-F759 HydrophobicContact CB-CB 4.49Å; N738-F759 WeakPolarHBondContact CB-O 3.32Å; N738-F759 WeakPolarHBondContact O-CD2 3.25Å; N738-F759 PolarHBondContact O-N 2.86Å; A740-F759 HydrophobicContact CB-CE2 4.19Å; L757-F759 HydrophobicContact CB-CE2 3.86Å; L757-F759 HydrophobicContact CB-CZ 4.22Å; L757-F759 WeakPolarHBondContact O-CE2 3.33Å; F759-A761 VanDerWaalsContact C-N 3.32Å; F759-A761 PolarHBondContact O-N 3.01Å; F759-E764 HydrophobicContact CB-CB 4.22Å; F759-E764 HydrophobicContact CD1-CB 3.9Å; F759-E764 HydrophobicContact CG-CB 4.44Å; F759-L765 HydrophobicContact CB-CB 4.46Å; F759-L765 HydrophobicContact CD2-CB 4.04Å; F759-L765 HydrophobicContact CD2-CD1 4.01Å; F759-L765 HydrophobicContact CE2-CD1 3.94Å; F759-L765 HydrophobicContact CG-CB 4.27Å; F759-F768 HydrophobicContact CE1-CB 3.82Å; F759-F768 HydrophobicContact CE1-CD2 4.18Å; F759-F768 HydrophobicContact CE1-CG 4.03Å; F759-F768 HydrophobicContact CE2-CD1 4.29Å; F759-F768 HydrophobicContact CE2-CG 4.35Å; F759-F768 HydrophobicContact CZ-CB 3.69Å; F759-F768 AromaticContact CZ-CD1 3.81Å; F759-F768 HydrophobicContact CZ-CD1 3.81Å; F759-F768 AromaticContact CZ-CD2 3.71Å; F759-F768 HydrophobicContact CZ-CD2 3.71Å; F759-F768 HydrophobicContact CZ-CE1 4.37Å; F759-F768 HydrophobicContact CZ-CE2 4.25Å; F759-F768 AromaticContact CZ-CG 3.46Å; F759-F768 HydrophobicContact CZ-CG 3.46Å; F759-F768 VanDerWaalsContact CZ-CG 3.46Å; F759-W801 VanDerWaalsContact C-CE2 3.48Å; F759-W801 PolarHBondContact O-NE1 2.95Å
760	A	87.7	Confident	86	Confident	26 Å²	26	38.2 Å²	38.2	22%	0.215	21%	0.21	C	C	.	.	S	Bend	trans	-63.2	-39.4	-179.9	0	0	0	0	0	112.4	C499 N738 W801	C499-A760 HydrophobicContact CB-CB 3.8Å; C499-A760 WeakPolarHBondContact O-CB 3.4Å; N738-A760 PolarHBondContact ND2-O 2.99Å; A760-W801 HydrophobicContact CB-CD2 3.91Å; A760-W801 HydrophobicContact CB-CE3 3.62Å; A760-W801 HydrophobicContact CB-CH2 4.02Å; A760-W801 HydrophobicContact CB-CZ2 4.27Å; A760-W801 HydrophobicContact CB-CZ3 3.7Å
761	A	87.2	Confident	87.7	Confident	9 Å²	9	32.3 Å²	32.3	7%	0.074	18%	0.179	C	C	.	.	S	Bend	trans	-129.7	147	-175	0	0	0	0	0	113.2	N738 F759 Q763 E764 L765	N738-A761 WeakPolarHBondContact ND2-CA 3.36Å; F759-A761 VanDerWaalsContact C-N 3.32Å; F759-A761 PolarHBondContact O-N 3.01Å; A761-Q763 PolarHBondContact O-N 3.27Å; A761-Q763 VanDerWaalsContact O-N 3.12Å; A761-E764 HydrophobicContact CB-CG 4.37Å; A761-E764 PolarHBondContact O-N 3.36Å; A761-E764 VanDerWaalsContact O-N 3.09Å; A761-L765 PolarHBondContact O-N 3.46Å
762	A	87.9	Confident	89.1	Confident	36 Å²	36	30 Å²	30	30%	0.298	17%	0.167	S	C	.	.	H	α-helix	trans	-60.1	-25.5	-177.2	0	0	0	0	0	113.6	N738 H766	N738-A762 VanDerWaalsContact OD1-CA 3.3Å; N738-A762 WeakPolarHBondContact OD1-CA 3.33Å; N738-A762 WeakPolarHBondContact OD1-CB 3.41Å; N738-A762 PolarHBondContact OD1-N 2.78Å; A762-H766 WeakPolarHBondContact O-CB 3.38Å; A762-H766 PolarHBondContact O-N 2.89Å
763	Q	89.6	Confident	90.1	Very high	91 Å²	91	29.7 Å²	29.7	43%	0.425	16%	0.164	S	C	.	.	H	α-helix	trans	-74.6	-31.6	-180	-60.6	81.4	2.6	0	0	111.9	Q502 A761 H766 A767	Q502-Q763 VanDerWaalsContact NE2-NE2 3.14Å; A761-Q763 PolarHBondContact O-N 3.27Å; A761-Q763 VanDerWaalsContact O-N 3.12Å; Q763-H766 PolarHBondContact O-N 2.84Å; Q763-A767 VanDerWaalsContact O-CB 3.32Å; Q763-A767 WeakPolarHBondContact O-CB 3.36Å; Q763-A767 PolarHBondContact O-N 3.43Å
764	E	92.4	Very high	90.5	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-70.5	-44.4	173.9	-50.8	-53.6	156.1	0	0	110.5	Q481 H501 F759 A761 H766 A767 F768	Q481-E764 PolarHBondContact NE2-OE2 2.91Å; H501-E764 VanDerWaalsContact CB-OE1 3.27Å; H501-E764 WeakPolarHBondContact CB-OE1 3.4Å; H501-E764 PolarHBondContact N-OE1 2.95Å; F759-E764 HydrophobicContact CB-CB 4.22Å; F759-E764 HydrophobicContact CD1-CB 3.9Å; F759-E764 HydrophobicContact CG-CB 4.44Å; A761-E764 HydrophobicContact CB-CG 4.37Å; A761-E764 PolarHBondContact O-N 3.36Å; A761-E764 VanDerWaalsContact O-N 3.09Å; E764-H766 VanDerWaalsContact C-N 3.34Å; E764-H766 PolarHBondContact O-N 3.22Å; E764-A767 PolarHBondContact O-N 3.46Å; E764-F768 WeakPolarHBondContact O-CB 3.25Å; E764-F768 PolarHBondContact O-N 2.78Å
765	L	93	Very high	90.6	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-55.2	-48.4	170.1	171.3	66	0	0	0	111.2	A740 F759 A761 A767 F768 V769	A740-L765 HydrophobicContact CB-CD1 3.7Å; F759-L765 HydrophobicContact CB-CB 4.46Å; F759-L765 HydrophobicContact CD2-CB 4.04Å; F759-L765 HydrophobicContact CD2-CD1 4.01Å; F759-L765 HydrophobicContact CE2-CD1 3.94Å; F759-L765 HydrophobicContact CG-CB 4.27Å; A761-L765 PolarHBondContact O-N 3.46Å; L765-A767 VanDerWaalsContact C-N 3.34Å; L765-A767 PolarHBondContact O-N 2.91Å; L765-F768 PolarHBondContact O-N 3.23Å; L765-V769 HydrophobicContact CD1-CG2 3.98Å; L765-V769 WeakPolarHBondContact O-CG2 3.44Å; L765-V769 PolarHBondContact O-N 2.97Å
766	H	92.5	Very high	90.4	Very high	131 Å²	131	35.4 Å²	35.4	61%	0.606	20%	0.195	S	C	*	.	H	α-helix	trans	-64.1	-38	179	176.2	-90.9	0	0	0	112.2	A762 Q763 E764 K770	A762-H766 WeakPolarHBondContact O-CB 3.38Å; A762-H766 PolarHBondContact O-N 2.89Å; Q763-H766 PolarHBondContact O-N 2.84Å; E764-H766 VanDerWaalsContact C-N 3.34Å; E764-H766 PolarHBondContact O-N 3.22Å; H766-K770 WeakPolarHBondContact O-CB 3.49Å; H766-K770 PolarHBondContact O-N 2.73Å
767	A	93	Very high	89.9	Confident	35 Å²	35	40.6 Å²	40.6	29%	0.289	23%	0.228	S	C	.	.	H	α-helix	trans	-67.1	-42.7	175.2	0	0	0	0	0	112.2	F556 Q763 E764 L765 K770 C771	F556-A767 HydrophobicContact CD2-CB 4.14Å; F556-A767 HydrophobicContact CE2-CB 3.71Å; Q763-A767 VanDerWaalsContact O-CB 3.32Å; Q763-A767 WeakPolarHBondContact O-CB 3.36Å; Q763-A767 PolarHBondContact O-N 3.43Å; E764-A767 PolarHBondContact O-N 3.46Å; L765-A767 VanDerWaalsContact C-N 3.34Å; L765-A767 PolarHBondContact O-N 2.91Å; A767-K770 PolarHBondContact O-N 2.83Å; A767-C771 WeakPolarHBondContact O-CB 3.49Å; A767-C771 PolarHBondContact O-N 3.23Å
768	F	94.5	Very high	89	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-55.1	172.7	172.1	-94.2	0	0	0	111.5	F556 L700 A740 L742 L757 F759 E764 L765 K770 C771 L772	F556-F768 HydrophobicContact CD1-CD2 4.24Å; F556-F768 HydrophobicContact CE1-CB 3.87Å; F556-F768 AromaticContact CE1-CD2 3.8Å; F556-F768 HydrophobicContact CE1-CD2 3.8Å; F556-F768 HydrophobicContact CE1-CG 4.34Å; F556-F768 HydrophobicContact CE2-CB 4.24Å; F556-F768 HydrophobicContact CZ-CB 3.66Å; F556-F768 HydrophobicContact CZ-CD2 4.45Å; L700-F768 HydrophobicContact CD1-CD2 3.94Å; L700-F768 HydrophobicContact CD1-CE2 3.68Å; L700-F768 HydrophobicContact CD2-CD2 4.4Å; L700-F768 HydrophobicContact CD2-CE2 4.42Å; A740-F768 HydrophobicContact CB-CD1 4.25Å; A740-F768 HydrophobicContact CB-CE1 3.91Å; L742-F768 HydrophobicContact CD1-CZ 4.33Å; L742-F768 HydrophobicContact CD2-CE1 4.27Å; L742-F768 HydrophobicContact CD2-CZ 4.2Å; L757-F768 HydrophobicContact CD1-CE1 4.35Å; L757-F768 HydrophobicContact CD1-CE2 3.85Å; L757-F768 HydrophobicContact CD1-CZ 3.55Å; F759-F768 HydrophobicContact CE1-CB 3.82Å; F759-F768 HydrophobicContact CE1-CD2 4.18Å; F759-F768 HydrophobicContact CE1-CG 4.03Å; F759-F768 HydrophobicContact CE2-CD1 4.29Å; F759-F768 HydrophobicContact CE2-CG 4.35Å; F759-F768 HydrophobicContact CZ-CB 3.69Å; F759-F768 AromaticContact CZ-CD1 3.81Å; F759-F768 HydrophobicContact CZ-CD1 3.81Å; F759-F768 AromaticContact CZ-CD2 3.71Å; F759-F768 HydrophobicContact CZ-CD2 3.71Å; F759-F768 HydrophobicContact CZ-CE1 4.37Å; F759-F768 HydrophobicContact CZ-CE2 4.25Å; F759-F768 AromaticContact CZ-CG 3.46Å; F759-F768 HydrophobicContact CZ-CG 3.46Å; F759-F768 VanDerWaalsContact CZ-CG 3.46Å; E764-F768 WeakPolarHBondContact O-CB 3.25Å; E764-F768 PolarHBondContact O-N 2.78Å; L765-F768 PolarHBondContact O-N 3.23Å; F768-K770 VanDerWaalsContact C-N 3.32Å; F768-K770 PolarHBondContact O-N 2.96Å; F768-C771 PolarHBondContact O-N 2.9Å; F768-C771 VanDerWaalsContact O-N 3.16Å; F768-L772 HydrophobicContact CE1-CD2 4.16Å; F768-L772 HydrophobicContact CZ-CD2 4.32Å; F768-L772 WeakPolarHBondContact O-CB 3.12Å; F768-L772 PolarHBondContact O-N 3.25Å
769	V	92.6	Very high	88.4	Confident	15 Å²	15	51 Å²	51	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-39.6	-179.3	174.8	0	0	0	0	111.1	A733 L765 T773	A733-V769 HydrophobicContact CB-CG2 3.85Å; L765-V769 HydrophobicContact CD1-CG2 3.98Å; L765-V769 WeakPolarHBondContact O-CG2 3.44Å; L765-V769 PolarHBondContact O-N 2.97Å; V769-T773 HydrophobicContact CG1-CG2 4.26Å; V769-T773 WeakPolarHBondContact O-CB 3.41Å; V769-T773 WeakPolarHBondContact O-CG2 3.16Å; V769-T773 PolarHBondContact O-N 2.9Å; V769-T773 PolarHBondContact O-OG1 3.33Å
770	K	91.9	Very high	87.3	Confident	135 Å²	135	57.1 Å²	57.1	59%	0.587	30%	0.303	S	S	*	.	H	α-helix	trans	-63.8	-42.3	175.1	-177.2	-171.5	172.8	-164.7	0	112.2	H766 A767 F768 T773 T774	H766-K770 WeakPolarHBondContact O-CB 3.49Å; H766-K770 PolarHBondContact O-N 2.73Å; A767-K770 PolarHBondContact O-N 2.83Å; F768-K770 VanDerWaalsContact C-N 3.32Å; F768-K770 PolarHBondContact O-N 2.96Å; K770-T773 PolarHBondContact O-OG1 2.82Å; K770-T774 WeakPolarHBondContact O-CB 3.19Å; K770-T774 PolarHBondContact O-N 3.07Å; K770-T774 VanDerWaalsContact O-N 3.13Å; K770-T774 PolarHBondContact O-OG1 3.19Å
771	C	92.3	Very high	86.7	Confident	17 Å²	17	61.8 Å²	61.8	12%	0.115	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-54.4	175.6	-177.9	0	0	0	0	110.1	F556 L700 A767 F768 T773 T774 H775	F556-C771 HydrophobicContact CB-CB 4.07Å; L700-C771 HydrophobicContact CD2-CB 4.12Å; A767-C771 WeakPolarHBondContact O-CB 3.49Å; A767-C771 PolarHBondContact O-N 3.23Å; F768-C771 PolarHBondContact O-N 2.9Å; F768-C771 VanDerWaalsContact O-N 3.16Å; C771-T773 PolarHBondContact O-N 3.43Å; C771-T774 WeakPolarHBondContact O-CB 3.28Å; C771-T774 PolarHBondContact O-N 2.8Å; C771-H775 PolarHBondContact O-CD2 3.11Å; C771-H775 VanDerWaalsContact O-CD2 3.25Å; C771-H775 PolarHBondContact O-N 3.18Å
772	L	91.7	Very high	85.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-56.7	-46.7	-179	-171.9	65.6	0	0	0	112.5	L700 F725 I728 V731 L742 F768 T774 H775 L776 L779	L700-L772 HydrophobicContact CD2-CB 4.23Å; L700-L772 HydrophobicContact CD2-CD1 4.37Å; F725-L772 HydrophobicContact CD1-CD1 4.14Å; F725-L772 HydrophobicContact CE1-CD1 4.01Å; I728-L772 HydrophobicContact CD1-CD1 3.9Å; V731-L772 HydrophobicContact CB-CD2 4.44Å; V731-L772 HydrophobicContact CG2-CD2 4.44Å; L742-L772 HydrophobicContact CD2-CD2 3.83Å; F768-L772 HydrophobicContact CE1-CD2 4.16Å; F768-L772 HydrophobicContact CZ-CD2 4.32Å; F768-L772 WeakPolarHBondContact O-CB 3.12Å; F768-L772 PolarHBondContact O-N 3.25Å; L772-T774 VanDerWaalsContact C-N 3.29Å; L772-T774 PolarHBondContact O-N 2.96Å; L772-H775 PolarHBondContact O-N 3.1Å; L772-L776 HydrophobicContact CD1-CD1 4.06Å; L772-L776 WeakPolarHBondContact O-CB 3.5Å; L772-L776 PolarHBondContact O-N 3.16Å; L772-L779 HydrophobicContact CD2-CD2 3.71Å; L772-L779 HydrophobicContact CG-CD2 3.85Å
773	T	89.2	Confident	84.4	Confident	45 Å²	45	69.9 Å²	69.9	28%	0.276	36%	0.362	S	S	.	.	H	α-helix	trans	-70.9	-20.1	177.7	52.3	0	0	0	0	114	V769 K770 C771 L776	V769-T773 HydrophobicContact CG1-CG2 4.26Å; V769-T773 WeakPolarHBondContact O-CB 3.41Å; V769-T773 WeakPolarHBondContact O-CG2 3.16Å; V769-T773 PolarHBondContact O-N 2.9Å; V769-T773 PolarHBondContact O-OG1 3.33Å; K770-T773 PolarHBondContact O-OG1 2.82Å; C771-T773 PolarHBondContact O-N 3.43Å; T773-L776 CarbonylContact O-C 3.59Å
774	T	88.8	Confident	83	Confident	95 Å²	95	67.9 Å²	67.9	58%	0.583	35%	0.354	S	S	*	.	H	α-helix	trans	-73	-40.1	171.7	-59	0	0	0	0	111	K770 C771 L772	K770-T774 WeakPolarHBondContact O-CB 3.19Å; K770-T774 PolarHBondContact O-N 3.07Å; K770-T774 VanDerWaalsContact O-N 3.13Å; K770-T774 PolarHBondContact O-OG1 3.19Å; C771-T774 WeakPolarHBondContact O-CB 3.28Å; C771-T774 PolarHBondContact O-N 2.8Å; L772-T774 VanDerWaalsContact C-N 3.29Å; L772-T774 PolarHBondContact O-N 2.96Å
775	H	85.8	Confident	81.3	Confident	60 Å²	60	73.6 Å²	73.6	28%	0.278	39%	0.385	S	S	.	.	H	α-helix	trans	-81.2	-27.7	176	-64.8	-79.9	0	0	0	113.2	D702 F725 C771 L772 P777	D702-H775 IonicContact OD1-CE1 2.75Å; D702-H775 PolarHBondContact OD1-CE1 3.11Å; D702-H775 VanDerWaalsContact OD1-CE1 3.31Å; D702-H775 IonicContact OD1-ND1 3.98Å; F725-H775 HydrophobicContact CD2-CB 3.72Å; F725-H775 HydrophobicContact CE2-CB 3.36Å; F725-H775 AromaticContact CE2-CG 3.68Å; F725-H775 HydrophobicContact CZ-CB 4.32Å; C771-H775 PolarHBondContact O-CD2 3.11Å; C771-H775 VanDerWaalsContact O-CD2 3.25Å; C771-H775 PolarHBondContact O-N 3.18Å; L772-H775 PolarHBondContact O-N 3.1Å; H775-P777 VanDerWaalsContact C-CD 3.48Å; H775-P777 WeakPolarHBondContact O-CD 3.44Å
776	L	85.4	Confident	79.3	Confident	31 Å²	31	78.4 Å²	78.4	16%	0.162	42%	0.419	C	S	.	.			trans	-119.3	74	174.6	-69.2	172.2	0	0	0	113.1	F725 I728 L772 T773 K778 L779	F725-L776 HydrophobicContact CB-CD1 3.86Å; F725-L776 HydrophobicContact CB-CD2 3.93Å; F725-L776 HydrophobicContact CB-CG 3.93Å; F725-L776 HydrophobicContact CG-CD1 4.29Å; F725-L776 HydrophobicContact CG-CG 4.34Å; F725-L776 WeakPolarHBondContact O-CD1 3.5Å; I728-L776 HydrophobicContact CB-CD1 4.37Å; I728-L776 HydrophobicContact CD1-CD1 4.49Å; L772-L776 HydrophobicContact CD1-CD1 4.06Å; L772-L776 WeakPolarHBondContact O-CB 3.5Å; L772-L776 PolarHBondContact O-N 3.16Å; T773-L776 CarbonylContact O-C 3.59Å; L776-K778 PolarHBondContact O-N 3.01Å; L776-L779 HydrophobicContact CB-CB 3.92Å; L776-L779 HydrophobicContact CB-CD2 4.47Å; L776-L779 HydrophobicContact CD1-CD1 4.44Å; L776-L779 HydrophobicContact CD1-CD2 4.26Å; L776-L779 VanDerWaalsContact O-CB 3.31Å; L776-L779 WeakPolarHBondContact O-CB 3.32Å; L776-L779 PolarHBondContact O-N 3.13Å
777	P	77.5	Confident	77.1	Confident	111 Å²	111	81.3 Å²	81.3	72%	0.721	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-3.3	177.4	-22.9	34.7	0	0	0	115.7	H775	H775-P777 VanDerWaalsContact C-CD 3.48Å; H775-P777 WeakPolarHBondContact O-CD 3.44Å
778	K	74.2	Confident	75.5	Confident	194 Å²	194	81.3 Å²	81.3	84%	0.843	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-4.1	176.5	-63.5	-178.6	-177.8	174	0	113.3	L776 H780	L776-K778 PolarHBondContact O-N 3.01Å; K778-H780 PolarHBondContact O-N 2.87Å
779	L	76.1	Confident	73.8	Confident	24 Å²	24	87.3 Å²	87.3	13%	0.126	46%	0.459	C	S	.	.			trans	-63.7	130.5	-174.2	-173.7	59.4	0	0	0	110.4	I728 V731 L772 L776 Q781	I728-L779 HydrophobicContact CB-CD1 4.5Å; I728-L779 HydrophobicContact CG2-CD1 3.86Å; V731-L779 HydrophobicContact CB-CD2 3.95Å; V731-L779 HydrophobicContact CB-CG 4.47Å; V731-L779 HydrophobicContact CG1-CD2 3.45Å; V731-L779 VanDerWaalsContact CG1-CD2 3.45Å; V731-L779 HydrophobicContact CG1-CG 3.91Å; L772-L779 HydrophobicContact CD2-CD2 3.71Å; L772-L779 HydrophobicContact CG-CD2 3.85Å; L776-L779 HydrophobicContact CB-CB 3.92Å; L776-L779 HydrophobicContact CB-CD2 4.47Å; L776-L779 HydrophobicContact CD1-CD1 4.44Å; L776-L779 HydrophobicContact CD1-CD2 4.26Å; L776-L779 VanDerWaalsContact O-CB 3.31Å; L776-L779 WeakPolarHBondContact O-CB 3.32Å; L776-L779 PolarHBondContact O-N 3.13Å; L779-Q781 PolarHBondContact O-N 2.94Å; L779-Q781 VanDerWaalsContact O-N 3.12Å
780	H	71	Confident	72.5	Confident	129 Å²	129	88.5 Å²	88.5	60%	0.597	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	106.5	174.1	-80.3	-100.3	0	0	0	109	S730 V731 K778	S730-H780 CarbonylContact C-O 3.39Å; S730-H780 VanDerWaalsContact CA-O 3.24Å; S730-H780 WeakPolarHBondContact CA-O 3.47Å; S730-H780 VanDerWaalsContact CB-O 3.29Å; S730-H780 WeakPolarHBondContact CB-O 3.45Å; V731-H780 PolarHBondContact N-O 3.01Å; K778-H780 PolarHBondContact O-N 2.87Å
781	Q	73.7	Confident	71.1	Confident	124 Å²	124	82.7 Å²	82.7	58%	0.579	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	117.8	169.7	-173.4	177.9	4.1	0	0	109.2	V731 L779	V731-Q781 HydrophobicContact CG1-CB 4.46Å; V731-Q781 HydrophobicContact CG1-CG 4.46Å; V731-Q781 WeakPolarHBondContact O-CA 3.29Å; L779-Q781 PolarHBondContact O-N 2.94Å; L779-Q781 VanDerWaalsContact O-N 3.12Å
782	E	65.6	Low	69.8	Low	109 Å²	109	85.5 Å²	85.5	51%	0.509	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.5	-178.6	-75.5	174.6	-166.3	0	0	111.2	V731 V732	V731-E782 PolarHBondContact O-N 3.14Å; V732-E782 HydrophobicContact CG2-CB 4Å
783	S	61.3	Low	68.8	Low	107 Å²	107	87.8 Å²	87.8	75%	0.748	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-102.2	124.2	174.9	55.9	0	0	0	0	109.6
784	L	60.1	Low	67.7	Low	48 Å²	48	85.7 Å²	85.7	25%	0.251	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-73.2	131.4	178.9	-159.9	70.6	0	0	0	111.5	V732 S788 L790	V732-L784 HydrophobicContact CG1-CB 3.69Å; V732-L784 HydrophobicContact CG1-CD1 4.13Å; V732-L784 HydrophobicContact CG1-CG 4.41Å; L784-S788 WeakPolarHBondContact CD2-OG 3.37Å; L784-S788 VanDerWaalsContact CG-OG 3.25Å; L784-S788 WeakPolarHBondContact CG-OG 3.38Å; L784-L790 HydrophobicContact CD1-CB 4.05Å; L784-L790 HydrophobicContact CD1-CD1 3.96Å; L784-L790 HydrophobicContact CD2-CB 4.02Å
785	D	56.6	Low	66.6	Low	133 Å²	133	84.1 Å²	84.1	71%	0.711	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-71.2	135.7	167.9	-74.9	-44.5	0	0	0	110.5	E787 S788	D785-E787 PolarHBondContact O-N 2.89Å; D785-E787 VanDerWaalsContact O-N 3.11Å; D785-S788 WeakPolarHBondContact O-CB 3.42Å; D785-S788 PolarHBondContact O-N 3.25Å; D785-S788 PolarHBondContact O-OG 3.17Å
786	S	52.1	Low	65.7	Low	103 Å²	103	83.9 Å²	83.9	72%	0.72	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.2	-166.5	49.3	0	0	0	0	115.2	S791	S786-S791 PolarHBondContact O-OG 2.68Å
787	E	46.4	Very low	64.9	Low	192 Å²	192	82.4 Å²	82.4	90%	0.897	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	4.2	-177.2	-59.3	-174.1	153.5	0	0	113.5	D785	D785-E787 PolarHBondContact O-N 2.89Å; D785-E787 VanDerWaalsContact O-N 3.11Å
788	S	58.2	Low	64.5	Low	35 Å²	35	77.5 Å²	77.5	25%	0.245	42%	0.418	C	S	.	.	S	Bend	trans	-73.9	149.7	-178.7	60.2	0	0	0	0	113.8	L784 D785 L790 S791	L784-S788 WeakPolarHBondContact CD2-OG 3.37Å; L784-S788 VanDerWaalsContact CG-OG 3.25Å; L784-S788 WeakPolarHBondContact CG-OG 3.38Å; D785-S788 WeakPolarHBondContact O-CB 3.42Å; D785-S788 PolarHBondContact O-N 3.25Å; D785-S788 PolarHBondContact O-OG 3.17Å; S788-L790 PolarHBondContact O-N 3.41Å; S788-S791 WeakPolarHBondContact O-CB 3.38Å; S788-S791 PolarHBondContact O-N 2.87Å; S788-S791 PolarHBondContact OG-N 3.16Å
789	E	59	Low	64	Low	126 Å²	126	74.5 Å²	74.5	59%	0.589	41%	0.405	S	S	*	.	H	α-helix	trans	-55.3	-38.3	174.9	-60.1	-179.9	137	0	0	111.8	Q568 S791 S792 L793	Q568-E789 PolarHBondContact NE2-OE2 3.02Å; E789-S791 VanDerWaalsContact C-N 3.26Å; E789-S791 PolarHBondContact O-N 3.37Å; E789-S792 WeakPolarHBondContact O-CB 3.15Å; E789-S792 PolarHBondContact O-N 3.35Å; E789-S792 PolarHBondContact O-OG 3.34Å; E789-L793 PolarHBondContact O-N 3.46Å
790	L	65.1	Low	63.6	Low	40 Å²	40	75.6 Å²	75.6	21%	0.209	41%	0.407	C	S	.	.	H	α-helix	trans	-57.3	-37.6	175.1	-63.6	175.3	0	0	0	112.1	I566 I741 L784 S788 S792 L793 C794	I566-L790 HydrophobicContact CB-CD2 4.24Å; I566-L790 HydrophobicContact CD1-CD2 4.36Å; I566-L790 HydrophobicContact CG2-CD2 3.58Å; I741-L790 HydrophobicContact CD1-CB 3.93Å; I741-L790 HydrophobicContact CD1-CD1 4.06Å; I741-L790 HydrophobicContact CD1-CD2 4.24Å; I741-L790 HydrophobicContact CD1-CG 4.3Å; L784-L790 HydrophobicContact CD1-CB 4.05Å; L784-L790 HydrophobicContact CD1-CD1 3.96Å; L784-L790 HydrophobicContact CD2-CB 4.02Å; S788-L790 PolarHBondContact O-N 3.41Å; L790-S792 VanDerWaalsContact C-N 3.27Å; L790-S792 PolarHBondContact O-N 3.49Å; L790-L793 PolarHBondContact O-N 2.95Å; L790-L793 VanDerWaalsContact O-N 3.15Å; L790-C794 PolarHBondContact O-N 2.91Å; L790-C794 PolarHBondContact O-SG 3.41Å; L790-C794 VanDerWaalsContact O-SG 3.36Å
791	S	63.8	Low	63.5	Low	14 Å²	14	70 Å²	70	10%	0.098	38%	0.381	C	S	.	.	H	α-helix	trans	-62.4	-36.2	176.7	-171.4	0	0	0	0	111.6	Q734 S786 S788 E789 N795	Q734-S791 PolarHBondContact NE2-OG 3.12Å; S786-S791 PolarHBondContact O-OG 2.68Å; S788-S791 WeakPolarHBondContact O-CB 3.38Å; S788-S791 PolarHBondContact O-N 2.87Å; S788-S791 PolarHBondContact OG-N 3.16Å; E789-S791 VanDerWaalsContact C-N 3.26Å; E789-S791 PolarHBondContact O-N 3.37Å; S791-N795 WeakPolarHBondContact O-CB 3.38Å; S791-N795 PolarHBondContact O-N 2.82Å; S791-N795 PolarHBondContact O-ND2 2.9Å
792	S	65.2	Low	62.8	Low	75 Å²	75	70.8 Å²	70.8	52%	0.524	38%	0.382	S	S	.	.	H	α-helix	trans	-68.3	-33.9	176.1	80.8	0	0	0	0	112.8	E789 L790 N795 A796	E789-S792 WeakPolarHBondContact O-CB 3.15Å; E789-S792 PolarHBondContact O-N 3.35Å; E789-S792 PolarHBondContact O-OG 3.34Å; L790-S792 VanDerWaalsContact C-N 3.27Å; L790-S792 PolarHBondContact O-N 3.49Å; S792-N795 WeakPolarHBondContact O-CB 3.36Å; S792-N795 PolarHBondContact O-N 3.13Å; S792-A796 PolarHBondContact O-N 2.85Å
793	L	69.1	Low	61.6	Low	48 Å²	48	69 Å²	69	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-76.6	-39.8	177.6	-74.9	158.5	0	0	0	111.8	I566 L571 E789 L790 N795 A796 A797	I566-L793 HydrophobicContact CG2-CD1 3.6Å; L571-L793 HydrophobicContact CD2-CD2 4.14Å; E789-L793 PolarHBondContact O-N 3.46Å; L790-L793 PolarHBondContact O-N 2.95Å; L790-L793 VanDerWaalsContact O-N 3.15Å; L793-N795 VanDerWaalsContact C-N 3.32Å; L793-N795 PolarHBondContact O-N 2.68Å; L793-A796 PolarHBondContact O-N 3.13Å; L793-A797 PolarHBondContact O-N 3.04Å
794	C	67.3	Low	60.6	Low	2 Å²	2	66.2 Å²	66.2	1%	0.014	37%	0.366	C	S	.	.	H	α-helix	trans	-57.2	-45.8	166.3	-68.2	0	0	0	0	111.1	Q734 D737 C739 L790 A796 A797 A798	Q734-C794 VanDerWaalsContact OE1-CB 3.24Å; Q734-C794 PolarHBondContact OE1-SG 2.91Å; D737-C794 HydrophobicContact CB-CB 3.94Å; C739-C794 HydrophobicContact CB-CB 4.07Å; L790-C794 PolarHBondContact O-N 2.91Å; L790-C794 PolarHBondContact O-SG 3.41Å; L790-C794 VanDerWaalsContact O-SG 3.36Å; C794-A796 VanDerWaalsContact C-N 3.32Å; C794-A796 PolarHBondContact O-N 2.91Å; C794-A797 PolarHBondContact O-N 3.37Å; C794-A798 WeakPolarHBondContact O-CB 3.42Å; C794-A798 PolarHBondContact O-N 3.49Å
795	N	65.6	Low	59.1	Low	61 Å²	61	72.1 Å²	72.1	33%	0.326	40%	0.404	S	S	.	.	H	α-helix	trans	-60.2	-38.2	175	-94.3	-100.4	0	0	0	112.6	D737 S791 S792 L793 K799	D737-N795 WeakPolarHBondContact OD1-CA 3.36Å; D737-N795 PolarHBondContact OD1-ND2 2.91Å; D737-N795 VanDerWaalsContact OD1-ND2 3.12Å; D737-N795 PolarHBondContact OD1-OD1 3.36Å; S791-N795 WeakPolarHBondContact O-CB 3.38Å; S791-N795 PolarHBondContact O-N 2.82Å; S791-N795 PolarHBondContact O-ND2 2.9Å; S792-N795 WeakPolarHBondContact O-CB 3.36Å; S792-N795 PolarHBondContact O-N 3.13Å; L793-N795 VanDerWaalsContact C-N 3.32Å; L793-N795 PolarHBondContact O-N 2.68Å; N795-K799 VanDerWaalsContact O-CB 3.29Å; N795-K799 WeakPolarHBondContact O-CB 3.41Å; N795-K799 WeakPolarHBondContact O-CG 3.44Å; N795-K799 PolarHBondContact O-N 3.05Å
796	A	67	Low	59.2	Low	55 Å²	55	69.1 Å²	69.1	46%	0.455	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-44.6	176.7	0	0	0	0	0	111.9	S792 L793 C794 K799 R800	S792-A796 PolarHBondContact O-N 2.85Å; L793-A796 PolarHBondContact O-N 3.13Å; C794-A796 VanDerWaalsContact C-N 3.32Å; C794-A796 PolarHBondContact O-N 2.91Å; A796-K799 WeakPolarHBondContact O-CB 3.18Å; A796-K799 PolarHBondContact O-N 2.93Å; A796-R800 PolarHBondContact O-N 3.33Å
797	A	69.3	Low	59.6	Low	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-43	176.1	0	0	0	0	0	112.2	Y563 L756 L793 C794 K799 R800	Y563-A797 HydrophobicContact CE2-CB 3.69Å; Y563-A797 WeakPolarHBondContact OH-CB 3.33Å; L756-A797 HydrophobicContact CD2-CB 3.81Å; L793-A797 PolarHBondContact O-N 3.04Å; C794-A797 PolarHBondContact O-N 3.37Å; A797-K799 VanDerWaalsContact C-N 3.27Å; A797-K799 PolarHBondContact O-N 3.31Å; A797-R800 WeakPolarHBondContact O-CB 3.44Å; A797-R800 PolarHBondContact O-N 3.29Å
798	A	67.1	Low	60.3	Low	9 Å²	9	60.3 Å²	60.3	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-34.5	173.2	0	0	0	0	0	112.9	D737 C794	D737-A798 HydrophobicContact CB-CB 3.78Å; D737-A798 VanDerWaalsContact O-CB 3.25Å; D737-A798 WeakPolarHBondContact O-CB 3.38Å; C794-A798 WeakPolarHBondContact O-CB 3.42Å; C794-A798 PolarHBondContact O-N 3.49Å
799	K	64.7	Low	60.4	Low	131 Å²	131	61.8 Å²	61.8	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-68.3	-30.9	170.6	-80.4	170.6	-177.7	178.4	0	112	N795 A796 A797 W801 K802 A803	N795-K799 VanDerWaalsContact O-CB 3.29Å; N795-K799 WeakPolarHBondContact O-CB 3.41Å; N795-K799 WeakPolarHBondContact O-CG 3.44Å; N795-K799 PolarHBondContact O-N 3.05Å; A796-K799 WeakPolarHBondContact O-CB 3.18Å; A796-K799 PolarHBondContact O-N 2.93Å; A797-K799 VanDerWaalsContact C-N 3.27Å; A797-K799 PolarHBondContact O-N 3.31Å; K799-W801 VanDerWaalsContact C-N 3.3Å; K799-W801 PolarHBondContact O-N 2.83Å; K799-K802 CarbonylContact O-C 3.55Å; K799-K802 VanDerWaalsContact O-C 3.24Å; K799-K802 VanDerWaalsContact O-CA 3.28Å; K799-K802 WeakPolarHBondContact O-CA 3.26Å; K799-K802 WeakPolarHBondContact O-CB 3.49Å; K799-K802 PolarHBondContact O-N 3.05Å; K799-A803 WeakPolarHBondContact O-CB 3.24Å; K799-A803 PolarHBondContact O-N 3.39Å
800	R	68.1	Low	60.5	Low	46 Å²	46	57.8 Å²	57.8	17%	0.174	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-36.2	-179.3	-156.4	169.5	-167.1	84.9	5.1	112.7	F561 T689 D690 A796 A797 K802 A803	F561-R800 HydrophobicContact CE2-CG 4.45Å; F561-R800 HydrophobicContact CZ-CG 4.43Å; T689-R800 PolarHBondContact O-NH1 3.06Å; T689-R800 PolarHBondContact O-NH2 3.17Å; D690-R800 IonicContact OD1-CZ 2.82Å; D690-R800 IonicContact OD1-NH1 3.33Å; D690-R800 PolarHBondContact OD1-NH1 3.39Å; D690-R800 IonicContact OD2-CZ 2.73Å; D690-R800 VanDerWaalsContact OD2-CZ 3.24Å; D690-R800 IonicContact OD2-NE 3.02Å; D690-R800 PolarHBondContact OD2-NE 3.31Å; D690-R800 IonicContact OD2-NH1 3.88Å; D690-R800 PolarHBondContact OD2-NH1 2.89Å; A796-R800 PolarHBondContact O-N 3.33Å; A797-R800 WeakPolarHBondContact O-CB 3.44Å; A797-R800 PolarHBondContact O-N 3.29Å; R800-K802 PolarHBondContact O-N 2.81Å; R800-K802 VanDerWaalsContact O-N 3.07Å; R800-A803 PolarHBondContact O-N 3.42Å
801	W	69.2	Low	60.2	Low	13 Å²	13	59 Å²	59	5%	0.049	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-8.2	169.4	-60.6	105.5	0	0	0	114.9	R423 Y425 H428 C499 F561 S758 F759 A760 K799	R423-W801 PolarHBondContact NH2-O 2.77Å; Y425-W801 HydrophobicContact CD2-CE3 4.41Å; Y425-W801 HydrophobicContact CD2-CZ3 4.13Å; Y425-W801 HydrophobicContact CE1-CE3 4.34Å; Y425-W801 AromaticContact CE2-CE3 3.65Å; Y425-W801 HydrophobicContact CE2-CE3 3.65Å; Y425-W801 AromaticContact CE2-CZ3 3.82Å; Y425-W801 HydrophobicContact CE2-CZ3 3.82Å; Y425-W801 AromaticContact CZ-CE3 3.62Å; Y425-W801 WeakPolarHBondContact OH-CA 3.23Å; Y425-W801 PolarHBondContact OH-O 3.25Å; H428-W801 AromaticContact CE1-CH2 3.41Å; H428-W801 VanDerWaalsContact CE1-CH2 3.41Å; H428-W801 WeakPolarHBondContact CE1-CH2 3.33Å; H428-W801 AromaticContact CE1-CZ3 3.76Å; H428-W801 AromaticContact NE2-CH2 3.95Å; C499-W801 HydrophobicContact CB-CH2 3.88Å; C499-W801 HydrophobicContact CB-CZ3 3.71Å; F561-W801 HydrophobicContact CD2-CD2 4.01Å; F561-W801 AromaticContact CD2-CE2 3.47Å; F561-W801 VanDerWaalsContact CD2-CE2 3.47Å; F561-W801 HydrophobicContact CD2-CE3 4.46Å; F561-W801 HydrophobicContact CD2-CH2 4.02Å; F561-W801 AromaticContact CD2-CZ2 3.5Å; F561-W801 HydrophobicContact CD2-CZ2 3.5Å; F561-W801 VanDerWaalsContact CD2-CZ2 3.5Å; F561-W801 HydrophobicContact CD2-CZ3 4.46Å; F561-W801 AromaticContact CD2-NE1 3.76Å; F561-W801 AromaticContact CE2-CD2 3.79Å; F561-W801 HydrophobicContact CE2-CD2 3.79Å; F561-W801 AromaticContact CE2-CE2 3.74Å; F561-W801 AromaticContact CE2-CE3 3.9Å; F561-W801 HydrophobicContact CE2-CE3 3.9Å; F561-W801 HydrophobicContact CE2-CG 4.44Å; F561-W801 AromaticContact CE2-CH2 3.98Å; F561-W801 HydrophobicContact CE2-CH2 3.98Å; F561-W801 AromaticContact CE2-CZ2 3.86Å; F561-W801 HydrophobicContact CE2-CZ2 3.86Å; F561-W801 AromaticContact CE2-CZ3 3.98Å; F561-W801 HydrophobicContact CE2-CZ3 3.98Å; F561-W801 HydrophobicContact CG-CZ2 4.44Å; S758-W801 WeakPolarHBondContact O-CZ2 3.47Å; S758-W801 PolarHBondContact OG-NE1 3.23Å; F759-W801 VanDerWaalsContact C-CE2 3.48Å; F759-W801 PolarHBondContact O-NE1 2.95Å; A760-W801 HydrophobicContact CB-CD2 3.91Å; A760-W801 HydrophobicContact CB-CE3 3.62Å; A760-W801 HydrophobicContact CB-CH2 4.02Å; A760-W801 HydrophobicContact CB-CZ2 4.27Å; A760-W801 HydrophobicContact CB-CZ3 3.7Å; K799-W801 VanDerWaalsContact C-N 3.3Å; K799-W801 PolarHBondContact O-N 2.83Å
802	K	58.2	Low	60	Low	139 Å²	139	62.2 Å²	62.2	60%	0.604	36%	0.358	S	S	*	.	H	α-helix	trans	-128.6	-3.2	-175.1	-56.6	175.5	-175.7	171.8	0	113.7	K799 R800 V805	K799-K802 CarbonylContact O-C 3.55Å; K799-K802 VanDerWaalsContact O-C 3.24Å; K799-K802 VanDerWaalsContact O-CA 3.28Å; K799-K802 WeakPolarHBondContact O-CA 3.26Å; K799-K802 WeakPolarHBondContact O-CB 3.49Å; K799-K802 PolarHBondContact O-N 3.05Å; R800-K802 PolarHBondContact O-N 2.81Å; R800-K802 VanDerWaalsContact O-N 3.07Å; K802-V805 WeakPolarHBondContact O-CG2 3.31Å
803	A	40	Very low	59.6	Low	73 Å²	73	61.2 Å²	61.2	60%	0.603	35%	0.345	S	S	*	.	H	α-helix	trans	-103.7	-5.7	-170.4	0	0	0	0	0	113.4	K799 R800 V805	K799-A803 WeakPolarHBondContact O-CB 3.24Å; K799-A803 PolarHBondContact O-N 3.39Å; R800-A803 PolarHBondContact O-N 3.42Å; A803-V805 PolarHBondContact O-N 3.21Å
804	S	40	Very low	58.8	Low	47 Å²	47	62.3 Å²	62.3	33%	0.329	35%	0.353	S	S	.	.			trans	-84.7	56.5	156.5	38.5	0	0	0	0	109.8	R423 I435	R423-S804 PolarHBondContact NH1-O 3.12Å; I435-S804 WeakPolarHBondContact CD1-OG 3.29Å
805	V	28.6	Very low	58	Low	172 Å²	172	67.8 Å²	67.8	100%	1.042	38%	0.384	S	S	*	.			trans	-129.5	0	175.5	171	0	0	0	0	107.3	R423 K802 A803	R423-V805 VanDerWaalsContact NH1-CG2 3.28Å; K802-V805 WeakPolarHBondContact O-CG2 3.31Å; A803-V805 PolarHBondContact O-N 3.21Å

Retrieved 805 of 805 residues in 386.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).