A0A096MX43_PAPAN Loading...

Tyrosine-protein phosphatase non-receptor type

May act at junctions between the membrane and the cytoskeleton.

AlphaFold DB , UniProt , Accession A0A096MX43, Species PAPAN (Papio anubis, Olive baboon), Gene PTPN4, Length 923 aa.

						>A0A096MX43_PAPAN|A0A096MX43|PTPN4
MTSRFRLPAGRTYNVRASELARDRQHTEVVCNILLLDNTVQAFKVNKHDQGQVLLDIVFKHLDLTEQDYFGLQLADDSTDNPRWLDPNKPIRKQLKRGSPYNLNFRVKFFVSDPNKLQEEYTRYQYFLQIKQDILTGRLPCPSNTAALLASFAVQSELGDYDQSENLSGYLSDYSFIPNQPQDFEKEIAKLHQQHIGLSPAEAEFNYLNTARTLELYGVEFHYARDQSNNEIMIGVMSGGILIYKNRVRMNTFPWLKIVKISFKCKQFFIQLRKELHESRETLLGFNMVNYRACKNLWKACVEHHTFFRLDRPLPPQKNFFAHYFTLGSKFRYCGRTEVQSVQYGKEKANKDRVFARSPSKPLARKLMDWEVVSRNSISDDRLETQSLPSRSPPGTPNHRNSAFTQEGTRLRPSSVGHLVDHMVHTSPSEVFVNQRSPSSTQANSIVLESSPSPGDGKPPALPPKQSKKNSWNQIHYSHSQQDLESHINETFDIPSSPEKPTPNGGIPHDNLVLIRMKPDENGRFGFNVKGGYDQKMPVIVSRVAPGTPADLCVPRLNEGDQVVLINGRDIAEHTHDQVVLFIKASCERHSGELMLLVRPNAVYDVVEEKLENEPDFQYIPEKAPLDSVHQDDHSLRESMIQLAEGLITGTVLTQFDQLYRKKPGMTMSCAKLPQNISKNRYRDISPYDATRVILKGNEDYINANYINMEIPSSSIINQYIACQGPLPHTCTDFWQMTWEQGSSMVVMLTTQVERGRVKCHQYWPEPTGSSSYGCYQVTCHSEEGNTAYIFRKMTLFNQEKNESRPLTQIQYIAWPDHGVPDDSSDFLDFVCHVRNKRAGKEEPVVVHCSAGIGRTGVLITMETAMCLIECNQPVYPLDIVRTMRDQRAMMIQTPSQYRFVCEAILKVYEEGFVKPLTTSSNK
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	38.4	Very low	230 Å²	230	163.8 Å²	163.8	100%	1.133	85%	0.849	S	S	*	*				0	106.7	0	-68.4	169.5	-174.1	0	0	106.4
2	T	34.4	Very low	38.4	Very low	134 Å²	134	161.7 Å²	161.7	82%	0.822	85%	0.849	S	S	*	*				68.8	131.1	76.1	57.7	0	0	0	0	112.3
3	S	33.9	Very low	39.2	Very low	115 Å²	115	164 Å²	164	80%	0.804	84%	0.842	S	S	*	*			cis	-153.5	171.5	9.3	50.1	0	0	0	0	113.9
4	R	39.7	Very low	40	Very low	216 Å²	216	160.6 Å²	160.6	82%	0.815	83%	0.826	S	S	*	*			trans	-65.7	161.7	164.4	-60.7	172.6	172.7	164.6	-4.5	110.2
5	F	32.8	Very low	40.7	Very low	197 Å²	197	155.4 Å²	155.4	86%	0.864	80%	0.804	S	S	*	*				-169.5	163.1	84.6	-106.9	-84.6	0	0	0	114.2
6	R	43.9	Very low	41.4	Very low	232 Å²	232	157.9 Å²	157.9	88%	0.875	80%	0.8	S	S	*	*			trans	-109.3	165.6	167.4	-67.2	175.6	170.9	173	-4.4	109.6
7	L	35.5	Very low	41.9	Very low	168 Å²	168	151.4 Å²	151.4	88%	0.88	78%	0.776	S	S	*	*			trans	-175.4	168.1	133.1	-94.6	171.2	0	0	0	109
8	P	45.3	Very low	42.4	Very low	109 Å²	109	146.7 Å²	146.7	71%	0.708	76%	0.759	S	S	*	*			trans	-137.4	177.9	-133.2	44.2	-26.8	0	0	0	118.3
9	A	42.8	Very low	42.6	Very low	102 Å²	102	144.8 Å²	144.8	84%	0.843	75%	0.746	S	S	*	*			trans	62	92.1	146.4	0	0	0	0	0	120
10	G	32.2	Very low	43.1	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	74%	0.737	S	S	*	*			trans	-108.1	135	150.7	0	0	0	0	0	110.6	T12	G10-T12 PolarHBondContact O-N 3.22Å
11	R	47.7	Very low	43.5	Very low	227 Å²	227	138.6 Å²	138.6	86%	0.857	72%	0.722	S	S	*	*			trans	-74.3	103.8	-179.4	-72.6	177.8	175	165.3	-3.1	111.5	Y13	R11-Y13 PolarHBondContact O-N 2.8Å
12	T	38.7	Very low	44.2	Very low	138 Å²	138	135.9 Å²	135.9	85%	0.847	70%	0.699	S	S	*	*			trans	-75	108.6	161	35.2	0	0	0	0	109.7	G10 N14	G10-T12 PolarHBondContact O-N 3.22Å; T12-N14 PolarHBondContact O-N 2.87Å
13	Y	48.3	Very low	44.9	Very low	192 Å²	192	134.6 Å²	134.6	75%	0.753	69%	0.687	S	S	*	*			trans	-58.6	137.2	169.3	-80.6	-98	0	0	0	109.5	R11 V15	R11-Y13 PolarHBondContact O-N 2.8Å; Y13-V15 PolarHBondContact O-N 2.55Å
14	N	50.1	Low	45.8	Very low	116 Å²	116	137.4 Å²	137.4	62%	0.62	68%	0.68	S	S	*	*			trans	-81.5	61.7	-173.6	-161.4	-5.1	0	0	0	111.5	T12 R16 A17 S18	T12-N14 PolarHBondContact O-N 2.87Å; N14-R16 PolarHBondContact O-N 3.46Å; N14-R16 VanDerWaalsContact O-N 3.16Å; N14-A17 HydrophobicContact CB-CB 4.27Å; N14-A17 WeakPolarHBondContact O-CB 3.18Å; N14-A17 PolarHBondContact O-N 2.78Å; N14-S18 PolarHBondContact O-N 2.65Å
15	V	51.3	Low	46.4	Very low	83 Å²	83	133.9 Å²	133.9	50%	0.503	67%	0.673	S	S	.	*	H	α-helix	trans	-50.3	-42.8	-174.8	178.1	0	0	0	0	111.2	Y13 A17 S18 E19	Y13-V15 PolarHBondContact O-N 2.55Å; V15-A17 VanDerWaalsContact C-N 3.27Å; V15-A17 PolarHBondContact O-N 2.75Å; V15-S18 CarbonylContact O-C 3.58Å; V15-S18 WeakPolarHBondContact O-CB 3.2Å; V15-S18 PolarHBondContact O-N 2.68Å; V15-E19 HydrophobicContact CG1-CG 4.1Å; V15-E19 WeakPolarHBondContact O-CG 3.44Å; V15-E19 PolarHBondContact O-N 2.92Å
16	R	51.2	Low	47.8	Very low	196 Å²	196	131.6 Å²	131.6	74%	0.74	67%	0.665	S	S	*	*	H	α-helix	trans	-60.6	-31.8	179.6	-151.8	177	-162	173.6	5.5	113.7	N14 L20	N14-R16 PolarHBondContact O-N 3.46Å; N14-R16 VanDerWaalsContact O-N 3.16Å; R16-L20 WeakPolarHBondContact O-CB 3.16Å; R16-L20 WeakPolarHBondContact O-CD1 3.24Å; R16-L20 VanDerWaalsContact O-CG 3.29Å; R16-L20 WeakPolarHBondContact O-CG 3.36Å; R16-L20 PolarHBondContact O-N 2.95Å; R16-L20 VanDerWaalsContact O-N 3.11Å
17	A	49.9	Very low	49.6	Very low	46 Å²	46	121.5 Å²	121.5	38%	0.38	63%	0.629	S	S	.	*	H	α-helix	trans	-75	-39.8	174.2	0	0	0	0	0	111.6	N14 V15 L20 A21	N14-A17 HydrophobicContact CB-CB 4.27Å; N14-A17 WeakPolarHBondContact O-CB 3.18Å; N14-A17 PolarHBondContact O-N 2.78Å; V15-A17 VanDerWaalsContact C-N 3.27Å; V15-A17 PolarHBondContact O-N 2.75Å; A17-L20 PolarHBondContact O-N 2.87Å; A17-A21 WeakPolarHBondContact O-CB 3.13Å; A17-A21 PolarHBondContact O-N 3.06Å
18	S	51.2	Low	52.1	Low	67 Å²	67	118.7 Å²	118.7	47%	0.469	61%	0.611	S	S	.	*	H	α-helix	trans	-67.5	-34.8	174.8	-59.1	0	0	0	0	112.8	N14 V15 A21 R22	N14-S18 PolarHBondContact O-N 2.65Å; V15-S18 CarbonylContact O-C 3.58Å; V15-S18 WeakPolarHBondContact O-CB 3.2Å; V15-S18 PolarHBondContact O-N 2.68Å; S18-A21 PolarHBondContact O-N 3.03Å; S18-R22 VanDerWaalsContact O-CG 3.32Å; S18-R22 WeakPolarHBondContact O-CG 3.37Å; S18-R22 PolarHBondContact O-N 3.01Å
19	E	47.2	Very low	54.3	Low	112 Å²	112	114.1 Å²	114.1	52%	0.523	58%	0.582	S	S	.	*	H	α-helix	trans	-67.6	-47.8	173.2	-72.7	170.9	153.1	0	0	111.2	V15 A21 R22 D23	V15-E19 HydrophobicContact CG1-CG 4.1Å; V15-E19 WeakPolarHBondContact O-CG 3.44Å; V15-E19 PolarHBondContact O-N 2.92Å; E19-A21 PolarHBondContact O-N 2.82Å; E19-R22 PolarHBondContact O-N 2.92Å; E19-D23 WeakPolarHBondContact O-CB 3.41Å; E19-D23 PolarHBondContact O-N 2.71Å
20	L	51.1	Low	56.8	Low	109 Å²	109	110.1 Å²	110.1	57%	0.571	55%	0.546	S	S	*	.	H	α-helix	trans	-61.5	-31.5	173.8	-76.4	167.5	0	0	0	112.8	R16 A17 R24	R16-L20 WeakPolarHBondContact O-CB 3.16Å; R16-L20 WeakPolarHBondContact O-CD1 3.24Å; R16-L20 VanDerWaalsContact O-CG 3.29Å; R16-L20 WeakPolarHBondContact O-CG 3.36Å; R16-L20 PolarHBondContact O-N 2.95Å; R16-L20 VanDerWaalsContact O-N 3.11Å; A17-L20 PolarHBondContact O-N 2.87Å; L20-R24 WeakPolarHBondContact O-CB 3.48Å; L20-R24 VanDerWaalsContact O-CG 3.23Å; L20-R24 WeakPolarHBondContact O-CG 3.37Å; L20-R24 PolarHBondContact O-N 2.93Å; L20-R24 VanDerWaalsContact O-N 3.08Å
21	A	51.3	Low	59.8	Low	50 Å²	50	106.7 Å²	106.7	41%	0.413	51%	0.511	S	S	.	.	H	α-helix	trans	-70.5	-43.3	173.5	0	0	0	0	0	112.4	A17 S18 E19 R24 Q25	A17-A21 WeakPolarHBondContact O-CB 3.13Å; A17-A21 PolarHBondContact O-N 3.06Å; S18-A21 PolarHBondContact O-N 3.03Å; E19-A21 PolarHBondContact O-N 2.82Å; A21-R24 WeakPolarHBondContact O-CB 3.4Å; A21-R24 PolarHBondContact O-N 2.82Å; A21-Q25 WeakPolarHBondContact O-CG 3.3Å; A21-Q25 PolarHBondContact O-N 2.83Å
22	R	49.1	Very low	62.1	Low	172 Å²	172	97.4 Å²	97.4	65%	0.649	48%	0.478	S	S	*	.	H	α-helix	trans	-65.6	-41.3	175.8	-73.9	171.7	178.8	-177.5	-1	112.4	S18 E19 Q25 H26	S18-R22 VanDerWaalsContact O-CG 3.32Å; S18-R22 WeakPolarHBondContact O-CG 3.37Å; S18-R22 PolarHBondContact O-N 3.01Å; E19-R22 PolarHBondContact O-N 2.92Å; R22-Q25 PolarHBondContact O-N 2.77Å; R22-H26 PolarHBondContact O-CD2 2.76Å; R22-H26 PolarHBondContact O-N 2.85Å
23	D	50.3	Low	64.9	Low	108 Å²	108	90.8 Å²	90.8	58%	0.578	44%	0.438	S	S	*	.	H	α-helix	trans	-68.3	-37	178.1	-160.5	34.2	0	0	0	111	E19 H26 T27	E19-D23 WeakPolarHBondContact O-CB 3.41Å; E19-D23 PolarHBondContact O-N 2.71Å; D23-H26 PolarHBondContact O-N 2.84Å; D23-T27 WeakPolarHBondContact O-CG2 3.45Å; D23-T27 PolarHBondContact O-N 2.87Å
24	R	52.2	Low	67.1	Low	173 Å²	173	82.9 Å²	82.9	65%	0.653	41%	0.408	S	S	*	.	H	α-helix	trans	-57.9	-49.1	168.2	-81.4	175.7	177.7	-165	-1.4	112.3	L20 A21 H26 T27 E28	L20-R24 WeakPolarHBondContact O-CB 3.48Å; L20-R24 VanDerWaalsContact O-CG 3.23Å; L20-R24 WeakPolarHBondContact O-CG 3.37Å; L20-R24 PolarHBondContact O-N 2.93Å; L20-R24 VanDerWaalsContact O-N 3.08Å; A21-R24 WeakPolarHBondContact O-CB 3.4Å; A21-R24 PolarHBondContact O-N 2.82Å; R24-H26 PolarHBondContact O-N 3.33Å; R24-T27 WeakPolarHBondContact O-CA 3.25Å; R24-T27 PolarHBondContact O-N 3.02Å; R24-T27 PolarHBondContact O-OG1 3.19Å; R24-E28 PolarHBondContact O-N 2.76Å; R24-E28 VanDerWaalsContact O-N 3.1Å
25	Q	53.1	Low	69.3	Low	142 Å²	142	77.6 Å²	77.6	66%	0.664	38%	0.38	S	S	*	.	H	α-helix	trans	-58.3	-33.8	176.5	-75.4	178.8	-32.2	0	0	112.7	A21 R22 T27	A21-Q25 WeakPolarHBondContact O-CG 3.3Å; A21-Q25 PolarHBondContact O-N 2.83Å; R22-Q25 PolarHBondContact O-N 2.77Å; Q25-T27 VanDerWaalsContact C-N 3.26Å; Q25-T27 PolarHBondContact O-N 3.05Å
26	H	61.6	Low	71.3	Confident	149 Å²	149	73.7 Å²	73.7	69%	0.69	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.2	172.1	-79.3	-59.4	0	0	0	114.5	R22 D23 R24 K47	R22-H26 PolarHBondContact O-CD2 2.76Å; R22-H26 PolarHBondContact O-N 2.85Å; D23-H26 PolarHBondContact O-N 2.84Å; R24-H26 PolarHBondContact O-N 3.33Å; H26-K47 PolarHBondContact O-NZ 3.22Å
27	T	81.6	Confident	73.2	Confident	21 Å²	21	66 Å²	66	13%	0.129	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-22.5	176.7	64	0	0	0	0	114.9	D23 R24 Q25 N46 K47	D23-T27 WeakPolarHBondContact O-CG2 3.45Å; D23-T27 PolarHBondContact O-N 2.87Å; R24-T27 WeakPolarHBondContact O-CA 3.25Å; R24-T27 PolarHBondContact O-N 3.02Å; R24-T27 PolarHBondContact O-OG1 3.19Å; Q25-T27 VanDerWaalsContact C-N 3.26Å; Q25-T27 PolarHBondContact O-N 3.05Å; T27-N46 WeakPolarHBondContact CB-ND2 3.46Å; T27-N46 PolarHBondContact O-OD1 2.84Å; T27-N46 PolarHBondContact OG1-ND2 3.24Å; T27-K47 WeakPolarHBondContact O-CB 3.48Å; T27-K47 VanDerWaalsContact O-CG 3.27Å; T27-K47 WeakPolarHBondContact O-CG 3.49Å; T27-K47 PolarHBondContact O-N 3.17Å
28	E	88.8	Confident	75.1	Confident	108 Å²	108	66.5 Å²	66.5	51%	0.505	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	149.8	174.1	-70.7	175.9	-179.7	0	0	111.8	R24 V45	R24-E28 PolarHBondContact O-N 2.76Å; R24-E28 VanDerWaalsContact O-N 3.1Å; E28-V45 CarbonylContact C-O 3.6Å; E28-V45 WeakPolarHBondContact CA-O 3.48Å
29	V	91.9	Very high	77	Confident	14 Å²	14	66.3 Å²	66.3	9%	0.085	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148.1	176.1	-69.6	0	0	0	0	109.8	V45 K47 I91 Y101	V29-V45 HydrophobicContact CG2-CG2 3.97Å; V29-V45 WeakPolarHBondContact CG2-O 3.45Å; V29-V45 PolarHBondContact N-O 3.31Å; V29-V45 PolarHBondContact O-N 3.23Å; V29-K47 HydrophobicContact CG1-CB 3.98Å; V29-K47 HydrophobicContact CG2-CB 4.27Å; V29-I91 HydrophobicContact CG2-CG2 4.15Å; V29-Y101 HydrophobicContact CB-CD2 4.21Å; V29-Y101 HydrophobicContact CB-CE2 3.81Å; V29-Y101 HydrophobicContact CG1-CE2 3.93Å; V29-Y101 HydrophobicContact CG2-CD2 4.27Å; V29-Y101 HydrophobicContact CG2-CE2 3.94Å
30	V	94.4	Very high	79.3	Confident	17 Å²	17	63 Å²	63	10%	0.103	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.8	176.6	-176.8	0	0	0	0	109.1	A42 F43 K44 S99 P100 Y101	V30-A42 HydrophobicContact CG1-CB 4.11Å; V30-F43 CarbonylContact C-O 3.59Å; V30-F43 WeakPolarHBondContact CA-O 3.26Å; V30-K44 HydrophobicContact CG2-CG 4.17Å; V30-S99 PolarHBondContact N-OG 2.82Å; V30-P100 HydrophobicContact CB-CB 4.03Å; V30-P100 HydrophobicContact CG1-CB 4.08Å; V30-P100 CarbonylContact O-C 3.57Å; V30-P100 WeakPolarHBondContact O-CA 3.26Å; V30-Y101 PolarHBondContact O-N 2.91Å
31	C	95.1	Very high	81.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.9	171.5	-68.4	0	0	0	0	108.7	I33 F43 L54 Y101 L103	C31-I33 HydrophobicContact CB-CD1 4.31Å; C31-F43 PolarHBondContact N-O 2.93Å; C31-F43 PolarHBondContact O-N 3.3Å; C31-L54 HydrophobicContact CB-CD1 3.73Å; C31-L54 HydrophobicContact CB-CD2 3.87Å; C31-L54 HydrophobicContact CB-CG 4.48Å; C31-Y101 CarbonylContact C-O 3.36Å; C31-Y101 WeakPolarHBondContact CA-O 3.31Å; C31-L103 HydrophobicContact CB-CD1 4.26Å
32	N	95.9	Very high	83.6	Confident	32 Å²	32	58.9 Å²	58.9	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.7	170.3	-61.7	-19	0	0	0	108.7	V40 Y101 N102 L103	N32-V40 HydrophobicContact CB-CG1 4.02Å; N32-Y101 PolarHBondContact N-O 3.42Å; N32-N102 WeakPolarHBondContact CB-OD1 3.39Å; N32-N102 PolarHBondContact ND2-OD1 3.15Å; N32-N102 WeakPolarHBondContact O-CA 3.41Å; N32-L103 PolarHBondContact O-N 3.28Å
33	I	97	Very high	85.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.7	-178.4	-50.8	-61.2	0	0	0	108.6	C31 L35 V40 Q41 F43 L54 V58 L72 L103 F105	C31-I33 HydrophobicContact CB-CD1 4.31Å; I33-L35 HydrophobicContact CG2-CD2 3.96Å; I33-L35 PolarHBondContact O-N 3.48Å; I33-V40 WeakPolarHBondContact O-CA 3.46Å; I33-Q41 PolarHBondContact N-O 2.87Å; I33-Q41 PolarHBondContact O-N 2.84Å; I33-F43 HydrophobicContact CB-CD2 4.33Å; I33-F43 HydrophobicContact CB-CE2 4.08Å; I33-F43 HydrophobicContact CG1-CD2 3.57Å; I33-F43 HydrophobicContact CG1-CE2 3.76Å; I33-L54 HydrophobicContact CD1-CD2 4.45Å; I33-V58 HydrophobicContact CD1-CG2 4.49Å; I33-V58 HydrophobicContact CG1-CG2 3.9Å; I33-V58 HydrophobicContact CG2-CG2 4.39Å; I33-L72 HydrophobicContact CD1-CD1 4Å; I33-L72 HydrophobicContact CD1-CD2 4Å; I33-L72 HydrophobicContact CG2-CD2 3.67Å; I33-L103 CarbonylContact C-O 3.07Å; I33-L103 VanDerWaalsContact CA-O 3.31Å; I33-L103 WeakPolarHBondContact CA-O 3.45Å; I33-L103 HydrophobicContact CD1-CB 3.85Å; I33-L103 HydrophobicContact CD1-CD1 3.91Å; I33-L103 HydrophobicContact CD1-CG 4.4Å; I33-F105 HydrophobicContact CG2-CB 3.89Å
34	L	95.4	Very high	88	Confident	25 Å²	25	52 Å²	52	13%	0.131	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	117.9	167	-175.6	63.6	0	0	0	108.4	V40 L103 F105 M368 W370	L34-V40 HydrophobicContact CD1-CG2 3.77Å; L34-L103 PolarHBondContact N-O 2.86Å; L34-F105 WeakPolarHBondContact O-CB 3.42Å; L34-F105 PolarHBondContact O-N 2.92Å; L34-M368 HydrophobicContact CD1-SD 4.49Å; L34-W370 HydrophobicContact CB-CH2 3.93Å; L34-W370 HydrophobicContact CB-CZ2 4.33Å; L34-W370 HydrophobicContact CD1-CH2 4.2Å; L34-W370 HydrophobicContact CD2-CH2 4.42Å; L34-W370 HydrophobicContact CG-CH2 4.41Å
35	L	96	Very high	90	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	22%	0.224	C	C	.	.			trans	-89.9	163.2	176	-61.9	178.4	0	0	0	110.5	I33 D37 N38 T39 Q41 L62 F105	I33-L35 HydrophobicContact CG2-CD2 3.96Å; I33-L35 PolarHBondContact O-N 3.48Å; L35-D37 VanDerWaalsContact CB-OD1 3.26Å; L35-D37 WeakPolarHBondContact CB-OD1 3.44Å; L35-D37 PolarHBondContact O-N 2.8Å; L35-N38 WeakPolarHBondContact O-CA 3.47Å; L35-N38 PolarHBondContact O-N 2.95Å; L35-T39 PolarHBondContact N-O 2.83Å; L35-Q41 HydrophobicContact CD1-CB 4.23Å; L35-L62 HydrophobicContact CD1-CD2 4.09Å; L35-L62 HydrophobicContact CD2-CD1 4.24Å; L35-L62 HydrophobicContact CD2-CD2 4.17Å; L35-L62 HydrophobicContact CD2-CG 4.5Å; L35-F105 HydrophobicContact CD2-CB 3.9Å; L35-F105 HydrophobicContact CD2-CD1 4.43Å; L35-F105 HydrophobicContact CD2-CG 4.18Å
36	L	94.3	Very high	91.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.2	-171.5	-68.8	169	0	0	0	113.7	N38 F70 F105 R106 Q125 L128 Q129	L36-N38 PolarHBondContact O-N 2.89Å; L36-F70 HydrophobicContact CD1-CE1 4.36Å; L36-F105 HydrophobicContact CD1-CD1 3.89Å; L36-F105 HydrophobicContact CD1-CE1 4.05Å; L36-F105 WeakPolarHBondContact CD2-O 3.43Å; L36-F105 HydrophobicContact CG-CD1 4.02Å; L36-R106 HydrophobicContact CD2-CG 4.46Å; L36-Q125 HydrophobicContact CD1-CB 4.36Å; L36-L128 HydrophobicContact CB-CB 3.93Å; L36-L128 HydrophobicContact CB-CD1 4.35Å; L36-Q129 HydrophobicContact CD1-CB 4.17Å; L36-Q129 HydrophobicContact CD2-CB 4.07Å
37	D	90.2	Very high	93.3	Very high	35 Å²	35	35.1 Å²	35.1	19%	0.187	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-3.4	167	60.1	3.9	0	0	0	113.3	L35 T39 L128 S358	L35-D37 VanDerWaalsContact CB-OD1 3.26Å; L35-D37 WeakPolarHBondContact CB-OD1 3.44Å; L35-D37 PolarHBondContact O-N 2.8Å; D37-T39 VanDerWaalsContact C-N 3.33Å; D37-T39 VanDerWaalsContact CG-OG1 3.29Å; D37-T39 WeakPolarHBondContact OD1-CB 3.35Å; D37-T39 PolarHBondContact OD1-N 3.31Å; D37-T39 PolarHBondContact OD1-OG1 2.86Å; D37-T39 WeakPolarHBondContact OD2-CG2 3.42Å; D37-T39 PolarHBondContact OD2-OG1 2.99Å; D37-L128 HydrophobicContact CB-CD1 4.25Å; D37-S358 VanDerWaalsContact CB-OG 3.29Å; D37-S358 WeakPolarHBondContact CB-OG 3.47Å
38	N	89.6	Confident	93.8	Very high	55 Å²	55	38.1 Å²	38.1	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	65.5	31.8	-172.8	-40	-97.2	0	0	0	113.1	L35 L36 Q132 K361 M368	L35-N38 WeakPolarHBondContact O-CA 3.47Å; L35-N38 PolarHBondContact O-N 2.95Å; L36-N38 PolarHBondContact O-N 2.89Å; N38-Q132 PolarHBondContact OD1-NE2 2.83Å; N38-K361 PolarHBondContact O-NZ 3.45Å; N38-M368 HydrophobicContact CB-CE 4.45Å
39	T	91.9	Very high	94	Very high	63 Å²	63	35.6 Å²	35.6	39%	0.387	18%	0.184	S	C	.	.			trans	-90.2	162.7	158.9	67.6	0	0	0	0	110.4	L35 D37	L35-T39 PolarHBondContact N-O 2.83Å; D37-T39 VanDerWaalsContact C-N 3.33Å; D37-T39 VanDerWaalsContact CG-OG1 3.29Å; D37-T39 WeakPolarHBondContact OD1-CB 3.35Å; D37-T39 PolarHBondContact OD1-N 3.31Å; D37-T39 PolarHBondContact OD1-OG1 2.86Å; D37-T39 WeakPolarHBondContact OD2-CG2 3.42Å; D37-T39 PolarHBondContact OD2-OG1 2.99Å
40	V	94.4	Very high	94.2	Very high	44 Å²	44	39 Å²	39	27%	0.267	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.2	176.7	-179.1	0	0	0	0	109.1	N32 I33 L34 W370 V373	N32-V40 HydrophobicContact CB-CG1 4.02Å; I33-V40 WeakPolarHBondContact O-CA 3.46Å; L34-V40 HydrophobicContact CD1-CG2 3.77Å; V40-W370 HydrophobicContact CG2-CH2 3.84Å; V40-W370 HydrophobicContact CG2-CZ3 3.92Å; V40-V373 HydrophobicContact CG2-CG1 4.35Å
41	Q	96.3	Very high	94.2	Very high	50 Å²	50	38.2 Å²	38.2	23%	0.234	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.4	176.5	-177.9	57.8	56.6	0	0	110.3	I33 L35 F43	I33-Q41 PolarHBondContact N-O 2.87Å; I33-Q41 PolarHBondContact O-N 2.84Å; L35-Q41 HydrophobicContact CD1-CB 4.23Å; Q41-F43 HydrophobicContact CB-CE2 3.75Å; Q41-F43 HydrophobicContact CB-CZ 3.95Å; Q41-F43 HydrophobicContact CG-CD1 4.39Å; Q41-F43 HydrophobicContact CG-CD2 4.12Å; Q41-F43 HydrophobicContact CG-CE1 3.76Å; Q41-F43 HydrophobicContact CG-CE2 3.43Å; Q41-F43 VanDerWaalsContact CG-CE2 3.43Å; Q41-F43 HydrophobicContact CG-CZ 3.25Å
42	A	96.6	Very high	94.2	Very high	22 Å²	22	41.2 Å²	41.2	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.4	173	0	0	0	0	0	110.8	V30	V30-A42 HydrophobicContact CG1-CB 4.11Å
43	F	96	Very high	94.2	Very high	19 Å²	19	42.2 Å²	42.2	8%	0.083	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139	174.5	-59.7	-82.8	0	0	0	110.7	V30 C31 I33 Q41 L54 I57 V58 H61	V30-F43 CarbonylContact C-O 3.59Å; V30-F43 WeakPolarHBondContact CA-O 3.26Å; C31-F43 PolarHBondContact N-O 2.93Å; C31-F43 PolarHBondContact O-N 3.3Å; I33-F43 HydrophobicContact CB-CD2 4.33Å; I33-F43 HydrophobicContact CB-CE2 4.08Å; I33-F43 HydrophobicContact CG1-CD2 3.57Å; I33-F43 HydrophobicContact CG1-CE2 3.76Å; Q41-F43 HydrophobicContact CB-CE2 3.75Å; Q41-F43 HydrophobicContact CB-CZ 3.95Å; Q41-F43 HydrophobicContact CG-CD1 4.39Å; Q41-F43 HydrophobicContact CG-CD2 4.12Å; Q41-F43 HydrophobicContact CG-CE1 3.76Å; Q41-F43 HydrophobicContact CG-CE2 3.43Å; Q41-F43 VanDerWaalsContact CG-CE2 3.43Å; Q41-F43 HydrophobicContact CG-CZ 3.25Å; F43-L54 HydrophobicContact CB-CD1 4.12Å; F43-I57 HydrophobicContact CB-CG2 4.41Å; F43-I57 HydrophobicContact CD1-CG2 3.32Å; F43-I57 HydrophobicContact CE1-CG2 3.74Å; F43-I57 HydrophobicContact CG-CG2 4.05Å; F43-V58 HydrophobicContact CD2-CG2 3.95Å; F43-V58 HydrophobicContact CE2-CG2 3.58Å; F43-V58 HydrophobicContact CZ-CG2 4.01Å; F43-H61 HydrophobicContact CE1-CB 3.78Å; F43-H61 AromaticContact CE1-CG 3.96Å; F43-H61 HydrophobicContact CZ-CB 3.79Å; F43-H61 AromaticContact CZ-CD2 3.87Å; F43-H61 AromaticContact CZ-CG 3.75Å
44	K	94.8	Very high	94.2	Very high	117 Å²	117	42.2 Å²	42.2	51%	0.509	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.8	179	-69.9	167.8	-179.3	169.9	0	108	V30 D421	V30-K44 HydrophobicContact CG2-CG 4.17Å; K44-D421 IonicContact NZ-OD2 2.73Å; K44-D421 PolarHBondContact NZ-OD2 3.26Å
45	V	94.3	Very high	94.2	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	160	-177.7	-62.8	0	0	0	0	110.8	E28 V29 L54 I57 I91	E28-V45 CarbonylContact C-O 3.6Å; E28-V45 WeakPolarHBondContact CA-O 3.48Å; V29-V45 HydrophobicContact CG2-CG2 3.97Å; V29-V45 WeakPolarHBondContact CG2-O 3.45Å; V29-V45 PolarHBondContact N-O 3.31Å; V29-V45 PolarHBondContact O-N 3.23Å; V45-L54 HydrophobicContact CG1-CB 4.44Å; V45-L54 HydrophobicContact CG1-CD1 3.88Å; V45-L54 HydrophobicContact CG2-CD1 4.48Å; V45-I57 HydrophobicContact CG1-CD1 3.91Å; V45-I91 HydrophobicContact CG2-CG1 4.43Å
46	N	93.1	Very high	94.2	Very high	39 Å²	39	44.8 Å²	44.8	21%	0.209	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.5	176	-156.6	-73.1	0	0	0	111	T27 H48 D49	T27-N46 WeakPolarHBondContact CB-ND2 3.46Å; T27-N46 PolarHBondContact O-OD1 2.84Å; T27-N46 PolarHBondContact OG1-ND2 3.24Å; N46-H48 PolarHBondContact O-N 2.92Å; N46-H48 WeakPolarHBondContact OD1-CB 3.36Å; N46-H48 PolarHBondContact OD1-CD2 3.07Å; N46-H48 PolarHBondContact OD1-N 2.78Å; N46-D49 WeakPolarHBondContact CA-OD2 3.46Å; N46-D49 HydrophobicContact CB-CB 4.44Å; N46-D49 VanDerWaalsContact CB-CG 3.46Å; N46-D49 WeakPolarHBondContact CB-OD2 3.22Å; N46-D49 PolarHBondContact N-OD2 2.94Å; N46-D49 WeakPolarHBondContact O-CB 3.46Å; N46-D49 PolarHBondContact O-N 3.25Å
47	K	91.1	Very high	94.4	Very high	61 Å²	61	47.7 Å²	47.7	27%	0.265	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.8	174.6	75.3	-169	178.4	-165.2	0	112.8	H26 T27 V29 R92	H26-K47 PolarHBondContact O-NZ 3.22Å; T27-K47 WeakPolarHBondContact O-CB 3.48Å; T27-K47 VanDerWaalsContact O-CG 3.27Å; T27-K47 WeakPolarHBondContact O-CG 3.49Å; T27-K47 PolarHBondContact O-N 3.17Å; V29-K47 HydrophobicContact CG1-CB 3.98Å; V29-K47 HydrophobicContact CG2-CB 4.27Å; K47-R92 HydrophobicContact CB-CB 4.17Å; K47-R92 WeakPolarHBondContact O-CB 3.48Å; K47-R92 WeakPolarHBondContact O-CD 3.39Å; K47-R92 WeakPolarHBondContact O-CG 3.44Å; K47-R92 PolarHBondContact O-N 2.98Å
48	H	91.9	Very high	94.7	Very high	84 Å²	84	46 Å²	46	39%	0.389	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.6	175.5	-67.6	-113.9	0	0	0	114.1	N46 R92	N46-H48 PolarHBondContact O-N 2.92Å; N46-H48 WeakPolarHBondContact OD1-CB 3.36Å; N46-H48 PolarHBondContact OD1-CD2 3.07Å; N46-H48 PolarHBondContact OD1-N 2.78Å; H48-R92 VanDerWaalsContact CE1-CZ 3.44Å; H48-R92 PolarHBondContact ND1-NH2 3.35Å
49	D	94.4	Very high	95	Very high	55 Å²	55	43.9 Å²	43.9	29%	0.294	22%	0.224	S	C	.	.	S	Bend	trans	-65.9	153.9	-179.2	-64.8	-25.6	0	0	0	111.9	N46 V53 P90 I91	N46-D49 WeakPolarHBondContact CA-OD2 3.46Å; N46-D49 HydrophobicContact CB-CB 4.44Å; N46-D49 VanDerWaalsContact CB-CG 3.46Å; N46-D49 WeakPolarHBondContact CB-OD2 3.22Å; N46-D49 PolarHBondContact N-OD2 2.94Å; N46-D49 WeakPolarHBondContact O-CB 3.46Å; N46-D49 PolarHBondContact O-N 3.25Å; D49-V53 HydrophobicContact CB-CB 4.11Å; D49-V53 HydrophobicContact CB-CG1 4.4Å; D49-V53 HydrophobicContact CB-CG2 4.08Å; D49-P90 CarbonylContact O-C 3.58Å; D49-P90 WeakPolarHBondContact O-CA 3.44Å; D49-I91 PolarHBondContact O-N 2.98Å
50	Q	94.9	Very high	95.2	Very high	86 Å²	86	49.1 Å²	49.1	40%	0.402	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-72.2	152	174.3	-57.4	-67.6	3.4	0	0	110.8	Q52 V53 P87 K89 P90	Q50-Q52 PolarHBondContact O-N 2.79Å; Q50-Q52 VanDerWaalsContact O-N 3.08Å; Q50-V53 WeakPolarHBondContact O-CB 3.47Å; Q50-V53 PolarHBondContact O-N 3.46Å; Q50-P87 WeakPolarHBondContact CB-O 3.16Å; Q50-K89 VanDerWaalsContact OE1-CA 3.28Å; Q50-P90 VanDerWaalsContact OE1-N 3.09Å
51	G	94.3	Very high	95.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-54.5	-27.8	175.9	0	0	0	0	0	114.2	V53 L54 L55 P87 K89	G51-V53 VanDerWaalsContact C-N 3.32Å; G51-V53 PolarHBondContact O-N 3.46Å; G51-L54 PolarHBondContact O-N 3.2Å; G51-L55 PolarHBondContact O-N 2.82Å; G51-P87 PolarHBondContact N-O 2.92Å; G51-P87 VanDerWaalsContact N-O 3.16Å; G51-K89 PolarHBondContact N-O 3.31Å
52	Q	95	Very high	95.2	Very high	64 Å²	64	49.3 Å²	49.3	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-57.7	-39.7	173.5	-167.4	63.6	49.1	0	0	112.8	Q50 L54 L55 D56 P87	Q50-Q52 PolarHBondContact O-N 2.79Å; Q50-Q52 VanDerWaalsContact O-N 3.08Å; Q52-L54 VanDerWaalsContact C-N 3.29Å; Q52-L54 PolarHBondContact O-N 3.13Å; Q52-L55 CarbonylContact O-C 3.51Å; Q52-L55 WeakPolarHBondContact O-CA 3.49Å; Q52-L55 WeakPolarHBondContact O-CB 3.35Å; Q52-L55 PolarHBondContact O-N 2.9Å; Q52-D56 PolarHBondContact NE2-OD1 2.83Å; Q52-D56 PolarHBondContact O-N 2.82Å; Q52-P87 HydrophobicContact CB-CB 4.07Å; Q52-P87 PolarHBondContact N-O 3.34Å
53	V	96.4	Very high	95	Very high	52 Å²	52	52.6 Å²	52.6	32%	0.315	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-38.3	-177.7	-179.3	0	0	0	0	111.4	D49 Q50 G51 I57	D49-V53 HydrophobicContact CB-CB 4.11Å; D49-V53 HydrophobicContact CB-CG1 4.4Å; D49-V53 HydrophobicContact CB-CG2 4.08Å; Q50-V53 WeakPolarHBondContact O-CB 3.47Å; Q50-V53 PolarHBondContact O-N 3.46Å; G51-V53 VanDerWaalsContact C-N 3.32Å; G51-V53 PolarHBondContact O-N 3.46Å; V53-I57 HydrophobicContact CG1-CD1 4Å; V53-I57 WeakPolarHBondContact O-CD1 3.46Å; V53-I57 WeakPolarHBondContact O-CG1 3.25Å; V53-I57 PolarHBondContact O-N 2.85Å
54	L	96.8	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.2	-36.7	175.3	-178.5	62.8	0	0	0	111.9	C31 I33 F43 V45 G51 Q52 V58 L72 L85 I91 L103	C31-L54 HydrophobicContact CB-CD1 3.73Å; C31-L54 HydrophobicContact CB-CD2 3.87Å; C31-L54 HydrophobicContact CB-CG 4.48Å; I33-L54 HydrophobicContact CD1-CD2 4.45Å; F43-L54 HydrophobicContact CB-CD1 4.12Å; V45-L54 HydrophobicContact CG1-CB 4.44Å; V45-L54 HydrophobicContact CG1-CD1 3.88Å; V45-L54 HydrophobicContact CG2-CD1 4.48Å; G51-L54 PolarHBondContact O-N 3.2Å; Q52-L54 VanDerWaalsContact C-N 3.29Å; Q52-L54 PolarHBondContact O-N 3.13Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.33Å; L54-V58 PolarHBondContact O-N 2.96Å; L54-V58 VanDerWaalsContact O-N 3.14Å; L54-L72 HydrophobicContact CD2-CD1 3.85Å; L54-L72 HydrophobicContact CG-CD1 3.75Å; L54-L85 HydrophobicContact CB-CD2 4.45Å; L54-L85 HydrophobicContact CD2-CD2 4.04Å; L54-I91 HydrophobicContact CB-CD1 4.31Å; L54-I91 HydrophobicContact CD2-CD1 4.18Å; L54-L103 HydrophobicContact CD2-CD1 4.43Å
55	L	96.4	Very high	94.6	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.068	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-49.8	174.3	-75.5	159.7	0	0	0	111.2	G51 Q52 I57 V58 F59 L72 L85 P87	G51-L55 PolarHBondContact O-N 2.82Å; Q52-L55 CarbonylContact O-C 3.51Å; Q52-L55 WeakPolarHBondContact O-CA 3.49Å; Q52-L55 WeakPolarHBondContact O-CB 3.35Å; Q52-L55 PolarHBondContact O-N 2.9Å; L55-I57 VanDerWaalsContact C-N 3.28Å; L55-I57 PolarHBondContact O-N 2.85Å; L55-V58 PolarHBondContact O-N 3.42Å; L55-V58 VanDerWaalsContact O-N 3.11Å; L55-F59 HydrophobicContact CB-CD2 4.24Å; L55-F59 HydrophobicContact CB-CE2 3.8Å; L55-F59 HydrophobicContact CB-CZ 4.38Å; L55-F59 HydrophobicContact CD2-CE2 4.2Å; L55-F59 HydrophobicContact CD2-CZ 3.92Å; L55-F59 WeakPolarHBondContact O-CD2 3.25Å; L55-F59 VanDerWaalsContact O-CG 3.25Å; L55-F59 WeakPolarHBondContact O-CG 3.35Å; L55-F59 PolarHBondContact O-N 2.77Å; L55-L72 HydrophobicContact CD2-CB 4.39Å; L55-L72 HydrophobicContact CD2-CD1 4.08Å; L55-L72 HydrophobicContact CD2-CG 3.78Å; L55-L72 HydrophobicContact CG-CD1 4.35Å; L55-L85 HydrophobicContact CG-CD2 4.5Å; L55-P87 HydrophobicContact CD1-CB 4.08Å
56	D	96.3	Very high	94.6	Very high	72 Å²	72	47.2 Å²	47.2	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-57.6	-40.9	-179.9	-59.1	-21.7	0	0	0	111.7	Q52 K60	Q52-D56 PolarHBondContact NE2-OD1 2.83Å; Q52-D56 PolarHBondContact O-N 2.82Å; D56-K60 WeakPolarHBondContact O-CB 3.44Å; D56-K60 PolarHBondContact O-N 2.84Å
57	I	97.1	Very high	94.7	Very high	62 Å²	62	48.2 Å²	48.2	32%	0.318	24%	0.235	S	C	.	.	H	α-helix	trans	-67.2	-42.3	177.1	-69	166.8	0	0	0	111.3	F43 V45 V53 L55 H61	F43-I57 HydrophobicContact CB-CG2 4.41Å; F43-I57 HydrophobicContact CD1-CG2 3.32Å; F43-I57 HydrophobicContact CE1-CG2 3.74Å; F43-I57 HydrophobicContact CG-CG2 4.05Å; V45-I57 HydrophobicContact CG1-CD1 3.91Å; V53-I57 HydrophobicContact CG1-CD1 4Å; V53-I57 WeakPolarHBondContact O-CD1 3.46Å; V53-I57 WeakPolarHBondContact O-CG1 3.25Å; V53-I57 PolarHBondContact O-N 2.85Å; L55-I57 VanDerWaalsContact C-N 3.28Å; L55-I57 PolarHBondContact O-N 2.85Å; I57-H61 WeakPolarHBondContact O-CB 3.43Å; I57-H61 PolarHBondContact O-N 3.47Å
58	V	97.5	Very high	94.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-47.2	176.4	170.4	0	0	0	0	111.2	I33 F43 L54 L55 K60 H61 L62 L72 F105	I33-V58 HydrophobicContact CD1-CG2 4.49Å; I33-V58 HydrophobicContact CG1-CG2 3.9Å; I33-V58 HydrophobicContact CG2-CG2 4.39Å; F43-V58 HydrophobicContact CD2-CG2 3.95Å; F43-V58 HydrophobicContact CE2-CG2 3.58Å; F43-V58 HydrophobicContact CZ-CG2 4.01Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.33Å; L54-V58 PolarHBondContact O-N 2.96Å; L54-V58 VanDerWaalsContact O-N 3.14Å; L55-V58 PolarHBondContact O-N 3.42Å; L55-V58 VanDerWaalsContact O-N 3.11Å; V58-K60 VanDerWaalsContact C-N 3.31Å; V58-K60 PolarHBondContact O-N 2.85Å; V58-H61 PolarHBondContact O-N 3.11Å; V58-L62 HydrophobicContact CG1-CD1 4.02Å; V58-L62 WeakPolarHBondContact O-CG 3.36Å; V58-L62 PolarHBondContact O-N 3.41Å; V58-L72 HydrophobicContact CG2-CD1 4.34Å; V58-F105 HydrophobicContact CG1-CD2 3.69Å; V58-F105 HydrophobicContact CG1-CE2 3.99Å; V58-F105 HydrophobicContact CG1-CG 4.5Å
59	F	96.3	Very high	95.2	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.044	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-39.1	177.9	-63.3	-40.9	0	0	0	112.3	L55 L62 D63 L64 Q67 F70 F105	L55-F59 HydrophobicContact CB-CD2 4.24Å; L55-F59 HydrophobicContact CB-CE2 3.8Å; L55-F59 HydrophobicContact CB-CZ 4.38Å; L55-F59 HydrophobicContact CD2-CE2 4.2Å; L55-F59 HydrophobicContact CD2-CZ 3.92Å; L55-F59 WeakPolarHBondContact O-CD2 3.25Å; L55-F59 VanDerWaalsContact O-CG 3.25Å; L55-F59 WeakPolarHBondContact O-CG 3.35Å; L55-F59 PolarHBondContact O-N 2.77Å; F59-L62 CarbonylContact O-C 3.44Å; F59-L62 PolarHBondContact O-N 2.51Å; F59-D63 PolarHBondContact O-N 2.92Å; F59-L64 HydrophobicContact CD1-CD2 4.09Å; F59-L64 HydrophobicContact CE1-CD2 4.48Å; F59-L64 PolarHBondContact O-N 3.22Å; F59-Q67 HydrophobicContact CB-CG 3.84Å; F59-Q67 HydrophobicContact CD1-CB 4.13Å; F59-Q67 HydrophobicContact CD1-CG 4.07Å; F59-Q67 HydrophobicContact CD2-CB 3.82Å; F59-Q67 HydrophobicContact CD2-CG 3.87Å; F59-Q67 HydrophobicContact CE1-CB 4.13Å; F59-Q67 HydrophobicContact CE2-CB 3.82Å; F59-Q67 HydrophobicContact CE2-CG 4.4Å; F59-Q67 HydrophobicContact CG-CB 3.98Å; F59-Q67 HydrophobicContact CG-CG 3.69Å; F59-Q67 HydrophobicContact CZ-CB 3.98Å; F59-Q67 WeakPolarHBondContact CZ-O 3.48Å; F59-F70 HydrophobicContact CE1-CB 4Å; F59-F105 HydrophobicContact CD1-CE2 4.02Å; F59-F105 AromaticContact CE1-CE2 3.78Å; F59-F105 HydrophobicContact CE1-CE2 3.78Å; F59-F105 HydrophobicContact CE1-CZ 4.38Å
60	K	95.7	Very high	95.3	Very high	173 Å²	173	40.4 Å²	40.4	75%	0.752	20%	0.199	S	C	*	.	H	α-helix	trans	-67.5	-38.2	175	-176.8	178	178.4	-178	0	112.7	D56 V58 L62 D63	D56-K60 WeakPolarHBondContact O-CB 3.44Å; D56-K60 PolarHBondContact O-N 2.84Å; V58-K60 VanDerWaalsContact C-N 3.31Å; V58-K60 PolarHBondContact O-N 2.85Å; K60-L62 VanDerWaalsContact C-N 3.3Å; K60-D63 PolarHBondContact O-N 3.15Å
61	H	95.6	Very high	95.3	Very high	92 Å²	92	36.6 Å²	36.6	43%	0.426	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-36	174.2	170.7	83.4	0	0	0	112	F43 I57 V58 D63	F43-H61 HydrophobicContact CE1-CB 3.78Å; F43-H61 AromaticContact CE1-CG 3.96Å; F43-H61 HydrophobicContact CZ-CB 3.79Å; F43-H61 AromaticContact CZ-CD2 3.87Å; F43-H61 AromaticContact CZ-CG 3.75Å; I57-H61 WeakPolarHBondContact O-CB 3.43Å; I57-H61 PolarHBondContact O-N 3.47Å; V58-H61 PolarHBondContact O-N 3.11Å; H61-D63 VanDerWaalsContact C-N 3.3Å
62	L	93.9	Very high	95.4	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.7	174.7	-67.5	172.2	0	0	0	114	L35 V58 F59 K60 L64 F105 Y121 R353	L35-L62 HydrophobicContact CD1-CD2 4.09Å; L35-L62 HydrophobicContact CD2-CD1 4.24Å; L35-L62 HydrophobicContact CD2-CD2 4.17Å; L35-L62 HydrophobicContact CD2-CG 4.5Å; V58-L62 HydrophobicContact CG1-CD1 4.02Å; V58-L62 WeakPolarHBondContact O-CG 3.36Å; V58-L62 PolarHBondContact O-N 3.41Å; F59-L62 CarbonylContact O-C 3.44Å; F59-L62 PolarHBondContact O-N 2.51Å; K60-L62 VanDerWaalsContact C-N 3.3Å; L62-L64 HydrophobicContact CB-CB 4.15Å; L62-L64 PolarHBondContact O-N 3.41Å; L62-F105 HydrophobicContact CD1-CD1 4.07Å; L62-F105 HydrophobicContact CD1-CD2 4.21Å; L62-F105 HydrophobicContact CD1-CE1 3.61Å; L62-F105 HydrophobicContact CD1-CE2 3.74Å; L62-F105 HydrophobicContact CD1-CG 4.36Å; L62-F105 HydrophobicContact CD1-CZ 3.43Å; L62-F105 VanDerWaalsContact CD1-CZ 3.43Å; L62-Y121 HydrophobicContact CB-CE1 4.34Å; L62-Y121 VanDerWaalsContact O-CE1 3.22Å; L62-Y121 WeakPolarHBondContact O-CE1 3.4Å; L62-R353 VanDerWaalsContact O-CZ 3.28Å; L62-R353 PolarHBondContact O-NH1 2.9Å; L62-R353 PolarHBondContact O-NH2 3.44Å
63	D	92.9	Very high	95.3	Very high	91 Å²	91	34.3 Å²	34.3	49%	0.487	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	38.6	-170.5	-168.1	50.1	0	0	0	113.4	F59 K60 H61 R353	F59-D63 PolarHBondContact O-N 2.92Å; K60-D63 PolarHBondContact O-N 3.15Å; H61-D63 VanDerWaalsContact C-N 3.3Å; D63-R353 VanDerWaalsContact C-NH1 3.28Å; D63-R353 PolarHBondContact O-NH1 3.08Å; D63-R353 IonicContact OD2-NH1 3.23Å
64	L	91.6	Very high	95	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	16%	0.16	C	C	.	.			trans	-90.1	126.7	-170.8	-177.7	67.9	0	0	0	111.3	F59 L62 Q67 F70 F105 Y121	F59-L64 HydrophobicContact CD1-CD2 4.09Å; F59-L64 HydrophobicContact CE1-CD2 4.48Å; F59-L64 PolarHBondContact O-N 3.22Å; L62-L64 HydrophobicContact CB-CB 4.15Å; L62-L64 PolarHBondContact O-N 3.41Å; L64-Q67 HydrophobicContact CG-CG 4.43Å; L64-Q67 WeakPolarHBondContact O-CG 3.15Å; L64-Q67 PolarHBondContact O-NE2 3.01Å; L64-F70 HydrophobicContact CD1-CE2 4.33Å; L64-F70 HydrophobicContact CD2-CD2 3.63Å; L64-F70 HydrophobicContact CD2-CE2 3.75Å; L64-F70 HydrophobicContact CD2-CG 4.25Å; L64-F70 HydrophobicContact CD2-CZ 4.46Å; L64-F105 HydrophobicContact CD2-CZ 4.09Å; L64-Y121 HydrophobicContact CD1-CD1 4.02Å; L64-Y121 HydrophobicContact CD1-CE1 4.5Å
65	T	91.4	Very high	94.2	Very high	25 Å²	25	33.9 Å²	33.9	15%	0.153	17%	0.172	C	C	.	.	S	Bend	trans	-89.6	-39.9	179.3	-51.7	0	0	0	0	112.2	Q67 E119 R336 Y344 K348	T65-Q67 VanDerWaalsContact C-N 3.26Å; T65-Q67 PolarHBondContact O-N 3.48Å; T65-E119 WeakPolarHBondContact CB-OE1 3.45Å; T65-E119 WeakPolarHBondContact CB-OE2 3.44Å; T65-E119 PolarHBondContact N-OE2 3.26Å; T65-E119 PolarHBondContact OG1-OE1 2.86Å; T65-E119 PolarHBondContact OG1-OE2 2.86Å; T65-R336 PolarHBondContact O-NH2 3.23Å; T65-Y344 HydrophobicContact CG2-CD1 4.05Å; T65-Y344 HydrophobicContact CG2-CE1 3.51Å; T65-K348 HydrophobicContact CG2-CB 3.82Å
66	E	94.2	Very high	92.7	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	18%	0.181	C	C	.	.			trans	-87.1	57.3	-177.2	-60.4	-176.9	107.7	0	0	112.4	D68 Y69 Q118 E119 T122	E66-D68 PolarHBondContact O-N 2.9Å; E66-Y69 HydrophobicContact CB-CD2 3.89Å; E66-Y69 HydrophobicContact CB-CE2 3.91Å; E66-Y69 WeakPolarHBondContact O-CD2 3.25Å; E66-Q118 VanDerWaalsContact CD-N 3.32Å; E66-Q118 WeakPolarHBondContact OE1-CB 3.43Å; E66-Q118 PolarHBondContact OE1-N 2.75Å; E66-Q118 PolarHBondContact OE2-N 2.98Å; E66-Q118 VanDerWaalsContact OE2-N 3.08Å; E66-E119 HydrophobicContact CG-CG 4.38Å; E66-E119 PolarHBondContact OE2-N 3.32Å; E66-T122 HydrophobicContact CB-CG2 4.12Å; E66-T122 WeakPolarHBondContact OE2-CB 3.31Å; E66-T122 PolarHBondContact OE2-OG1 3.27Å
67	Q	95.3	Very high	91	Very high	60 Å²	60	35 Å²	35	28%	0.28	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-67.3	-32.6	-166.7	-62.3	175.7	4	0	0	115.1	F59 L64 T65 Y69 F70	F59-Q67 HydrophobicContact CB-CG 3.84Å; F59-Q67 HydrophobicContact CD1-CB 4.13Å; F59-Q67 HydrophobicContact CD1-CG 4.07Å; F59-Q67 HydrophobicContact CD2-CB 3.82Å; F59-Q67 HydrophobicContact CD2-CG 3.87Å; F59-Q67 HydrophobicContact CE1-CB 4.13Å; F59-Q67 HydrophobicContact CE2-CB 3.82Å; F59-Q67 HydrophobicContact CE2-CG 4.4Å; F59-Q67 HydrophobicContact CG-CB 3.98Å; F59-Q67 HydrophobicContact CG-CG 3.69Å; F59-Q67 HydrophobicContact CZ-CB 3.98Å; F59-Q67 WeakPolarHBondContact CZ-O 3.48Å; L64-Q67 HydrophobicContact CG-CG 4.43Å; L64-Q67 WeakPolarHBondContact O-CG 3.15Å; L64-Q67 PolarHBondContact O-NE2 3.01Å; T65-Q67 VanDerWaalsContact C-N 3.26Å; T65-Q67 PolarHBondContact O-N 3.48Å; Q67-Y69 PolarHBondContact O-N 2.98Å; Q67-Y69 VanDerWaalsContact O-N 3.13Å; Q67-F70 PolarHBondContact O-N 3.28Å; Q67-F70 VanDerWaalsContact O-N 3.11Å
68	D	95.6	Very high	89	Confident	26 Å²	26	35.4 Å²	35.4	14%	0.139	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-65.3	-22.4	-168.1	-51.5	-103.2	0	0	0	113.8	E66 F70 F109 F307 R336	E66-D68 PolarHBondContact O-N 2.9Å; D68-F70 PolarHBondContact O-N 3.12Å; D68-F109 VanDerWaalsContact O-CD2 3.26Å; D68-F109 WeakPolarHBondContact O-CD2 3.28Å; D68-F307 HydrophobicContact CB-CE2 3.95Å; D68-R336 WeakPolarHBondContact OD1-CB 3.33Å; D68-R336 PolarHBondContact OD1-N 3.49Å; D68-R336 IonicContact OD1-NE 2.8Å; D68-R336 PolarHBondContact OD1-NE 3.37Å; D68-R336 IonicContact OD2-CZ 2.92Å; D68-R336 IonicContact OD2-NE 3.69Å; D68-R336 PolarHBondContact OD2-NE 2.86Å; D68-R336 IonicContact OD2-NH2 2.68Å; D68-R336 PolarHBondContact OD2-NH2 2.85Å
69	Y	96.9	Very high	87	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-66.6	-16.7	176.8	-65.7	-60.2	0	0	0	113.8	E66 Q67 K108 F109 V111 L117 T122 Y126 F307	E66-Y69 HydrophobicContact CB-CD2 3.89Å; E66-Y69 HydrophobicContact CB-CE2 3.91Å; E66-Y69 WeakPolarHBondContact O-CD2 3.25Å; Q67-Y69 PolarHBondContact O-N 2.98Å; Q67-Y69 VanDerWaalsContact O-N 3.13Å; Y69-K108 PolarHBondContact O-N 3.23Å; Y69-F109 PolarHBondContact O-N 3.47Å; Y69-V111 HydrophobicContact CD1-CG1 4Å; Y69-V111 HydrophobicContact CE1-CG1 3.42Å; Y69-V111 VanDerWaalsContact CE1-CG1 3.42Å; Y69-L117 HydrophobicContact CD1-CD2 4.4Å; Y69-L117 HydrophobicContact CD2-CD2 3.94Å; Y69-L117 HydrophobicContact CE1-CD2 4.17Å; Y69-L117 HydrophobicContact CE2-CD2 3.68Å; Y69-L117 HydrophobicContact CG-CD2 4.31Å; Y69-T122 HydrophobicContact CD2-CG2 4.23Å; Y69-Y126 WeakPolarHBondContact CB-OH 3.27Å; Y69-Y126 WeakPolarHBondContact CD1-OH 3.38Å; Y69-Y126 HydrophobicContact CG-CE2 4.32Å; Y69-F307 AromaticContact CD1-CE1 3.9Å; Y69-F307 HydrophobicContact CD1-CE1 3.9Å; Y69-F307 AromaticContact CD1-CZ 3.56Å; Y69-F307 HydrophobicContact CD1-CZ 3.56Å; Y69-F307 AromaticContact CE1-CE1 3.82Å; Y69-F307 HydrophobicContact CE1-CE1 3.82Å; Y69-F307 AromaticContact CE1-CZ 3.51Å; Y69-F307 HydrophobicContact CE1-CZ 3.51Å
70	F	97.4	Very high	84.9	Confident	10 Å²	10	43.1 Å²	43.1	4%	0.044	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	168.9	-166.7	-60.6	-91.9	0	0	0	113.4	L36 F59 L64 Q67 D68 F105 R106 V107 T122 Q125 Y126	L36-F70 HydrophobicContact CD1-CE1 4.36Å; F59-F70 HydrophobicContact CE1-CB 4Å; L64-F70 HydrophobicContact CD1-CE2 4.33Å; L64-F70 HydrophobicContact CD2-CD2 3.63Å; L64-F70 HydrophobicContact CD2-CE2 3.75Å; L64-F70 HydrophobicContact CD2-CG 4.25Å; L64-F70 HydrophobicContact CD2-CZ 4.46Å; Q67-F70 PolarHBondContact O-N 3.28Å; Q67-F70 VanDerWaalsContact O-N 3.11Å; D68-F70 PolarHBondContact O-N 3.12Å; F70-F105 HydrophobicContact CB-CE2 3.86Å; F70-F105 HydrophobicContact CB-CZ 3.68Å; F70-F105 AromaticContact CD1-CE1 3.61Å; F70-F105 HydrophobicContact CD1-CE1 3.61Å; F70-F105 HydrophobicContact CD1-CE2 4.46Å; F70-F105 AromaticContact CD1-CZ 3.55Å; F70-F105 HydrophobicContact CD1-CZ 3.55Å; F70-F105 HydrophobicContact CD2-CZ 4.45Å; F70-F105 HydrophobicContact CE1-CE1 4.09Å; F70-F105 HydrophobicContact CE1-CZ 4.3Å; F70-F105 HydrophobicContact CG-CE1 4.2Å; F70-F105 HydrophobicContact CG-CE2 4.34Å; F70-F105 AromaticContact CG-CZ 3.65Å; F70-F105 HydrophobicContact CG-CZ 3.65Å; F70-R106 WeakPolarHBondContact CA-O 3.44Å; F70-V107 HydrophobicContact CD1-CG2 4.02Å; F70-V107 HydrophobicContact CE1-CG2 3.65Å; F70-V107 HydrophobicContact CZ-CG2 4.47Å; F70-T122 HydrophobicContact CE2-CG2 4.05Å; F70-T122 HydrophobicContact CZ-CG2 4.17Å; F70-Q125 HydrophobicContact CE1-CB 3.72Å; F70-Q125 HydrophobicContact CZ-CB 3.75Å; F70-Y126 HydrophobicContact CE1-CD2 4.39Å; F70-Y126 HydrophobicContact CE1-CE2 4.44Å; F70-Y126 HydrophobicContact CE2-CE2 4.3Å; F70-Y126 AromaticContact CZ-CD2 3.91Å; F70-Y126 HydrophobicContact CZ-CD2 3.91Å; F70-Y126 AromaticContact CZ-CE2 3.86Å; F70-Y126 HydrophobicContact CZ-CE2 3.86Å
71	G	95.8	Very high	83.4	Confident	6 Å²	6	37.2 Å²	37.2	6%	0.062	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	177.4	172.1	0	0	0	0	0	113.8	R106	G71-R106 PolarHBondContact N-O 2.75Å; G71-R106 PolarHBondContact O-N 2.9Å
72	L	95.6	Very high	82.3	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.7	175.3	-64.1	176.9	0	0	0	110.5	I33 L54 L55 V58 W84 L85 L103 N104 F105	I33-L72 HydrophobicContact CD1-CD1 4Å; I33-L72 HydrophobicContact CD1-CD2 4Å; I33-L72 HydrophobicContact CG2-CD2 3.67Å; L54-L72 HydrophobicContact CD2-CD1 3.85Å; L54-L72 HydrophobicContact CG-CD1 3.75Å; L55-L72 HydrophobicContact CD2-CB 4.39Å; L55-L72 HydrophobicContact CD2-CD1 4.08Å; L55-L72 HydrophobicContact CD2-CG 3.78Å; L55-L72 HydrophobicContact CG-CD1 4.35Å; V58-L72 HydrophobicContact CG2-CD1 4.34Å; L72-W84 CarbonylContact O-C 3.53Å; L72-W84 WeakPolarHBondContact O-CA 3.47Å; L72-L85 HydrophobicContact CB-CB 4.14Å; L72-L85 HydrophobicContact CB-CD2 4.31Å; L72-L85 HydrophobicContact CD1-CD2 3.99Å; L72-L85 PolarHBondContact O-N 3.04Å; L72-L103 HydrophobicContact CB-CB 4.38Å; L72-L103 HydrophobicContact CB-CD2 3.91Å; L72-N104 WeakPolarHBondContact CA-O 3.28Å; L72-F105 HydrophobicContact CD2-CB 4.14Å; L72-F105 HydrophobicContact CD2-CD2 4.11Å
73	Q	92.4	Very high	81.9	Confident	13 Å²	13	35.4 Å²	35.4	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.2	178.3	-172.8	169	108.9	0	0	109.1	A75 P82 W84 L103 N104	Q73-A75 PolarHBondContact O-N 3Å; Q73-P82 HydrophobicContact CG-CB 4.24Å; Q73-W84 HydrophobicContact CB-CE3 4.07Å; Q73-W84 HydrophobicContact CB-CZ3 4.03Å; Q73-L103 CarbonylContact O-C 3.26Å; Q73-L103 VanDerWaalsContact O-CA 3.25Å; Q73-L103 WeakPolarHBondContact O-CA 3.47Å; Q73-L103 WeakPolarHBondContact O-CB 3.28Å; Q73-N104 PolarHBondContact N-O 3.22Å; Q73-N104 PolarHBondContact O-N 3.2Å
74	L	89.5	Confident	81.8	Confident	13 Å²	13	33 Å²	33	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.4	178.6	-83.5	65.5	0	0	0	110.3	D76 R83 L95 L103	L74-D76 PolarHBondContact O-N 3.09Å; L74-R83 WeakPolarHBondContact CD1-O 3.35Å; L74-R83 PolarHBondContact N-O 3.46Å; L74-L95 HydrophobicContact CD1-CD2 3.84Å; L74-L95 HydrophobicContact CD2-CD2 3.76Å; L74-L95 HydrophobicContact CG-CD2 3.76Å; L74-L103 HydrophobicContact CD1-CD2 4.05Å
75	A	80.9	Confident	81.8	Confident	30 Å²	30	33.2 Å²	33.2	25%	0.248	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.4	179.4	0	0	0	0	0	113.8	Q73 N102	Q73-A75 PolarHBondContact O-N 3Å; A75-N102 HydrophobicContact CB-CB 4.11Å; A75-N102 WeakPolarHBondContact CB-O 3.45Å; A75-N102 PolarHBondContact N-O 2.84Å; A75-N102 VanDerWaalsContact N-O 3.14Å
76	D	65.4	Low	81.8	Confident	48 Å²	48	32.4 Å²	32.4	26%	0.257	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.5	-172.1	-87.5	-30	0	0	0	115	L74 R97	L74-D76 PolarHBondContact O-N 3.09Å; D76-R97 VanDerWaalsContact CG-NE 3.26Å; D76-R97 PolarHBondContact O-NH2 2.78Å; D76-R97 IonicContact OD1-CZ 2.66Å; D76-R97 IonicContact OD1-NE 3.11Å; D76-R97 PolarHBondContact OD1-NE 2.65Å; D76-R97 IonicContact OD1-NH1 2.66Å; D76-R97 PolarHBondContact OD1-NH1 3.3Å; D76-R97 IonicContact OD1-NH2 2.74Å; D76-R97 WeakPolarHBondContact OD2-CD 3.34Å; D76-R97 IonicContact OD2-CZ 3.65Å; D76-R97 IonicContact OD2-NE 3.42Å; D76-R97 PolarHBondContact OD2-NE 3.21Å; D76-R97 IonicContact OD2-NH1 2.72Å
77	D	59.6	Low	81.7	Confident	60 Å²	60	33.5 Å²	33.5	32%	0.321	19%	0.186	S	C	.	.	S	Bend	trans	-110	152.3	178.7	-65.9	-65.5	0	0	0	109.5	R83	D77-R83 IonicContact OD1-NH1 3.99Å; D77-R83 VanDerWaalsContact OD2-CD 3.29Å; D77-R83 WeakPolarHBondContact OD2-CD 3.24Å; D77-R83 IonicContact OD2-CZ 2.9Å; D77-R83 IonicContact OD2-NE 3.51Å; D77-R83 IonicContact OD2-NH1 3.29Å; D77-R83 PolarHBondContact OD2-NH1 3.2Å
78	S	56.3	Low	81.5	Confident	72 Å²	72	34.8 Å²	34.8	50%	0.503	20%	0.195	S	C	.	.			trans	-66.3	157.1	-178.6	61.1	0	0	0	0	112.9	D80 N81	S78-D80 PolarHBondContact O-N 3.07Å; S78-N81 PolarHBondContact O-N 3.18Å
79	T	54.4	Low	81.3	Confident	100 Å²	100	37.7 Å²	37.7	61%	0.613	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-28.1	173.5	39.4	0	0	0	0	114.1
80	D	53.7	Low	81.2	Confident	72 Å²	72	38.6 Å²	38.6	39%	0.385	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.2	-166.7	-48.5	-16.5	0	0	0	113	S78 Y223	S78-D80 PolarHBondContact O-N 3.07Å; D80-Y223 HydrophobicContact CB-CD2 3.95Å; D80-Y223 HydrophobicContact CB-CE2 3.5Å; D80-Y223 VanDerWaalsContact CB-CE2 3.5Å; D80-Y223 WeakPolarHBondContact O-CD2 3.32Å
81	N	64.1	Low	80.9	Confident	48 Å²	48	38.2 Å²	38.2	26%	0.257	21%	0.21	S	C	.	.	S	Bend	trans	-147.4	65.8	176.1	-161.3	-22.5	0	0	0	110.3	S78 R83 N296	S78-N81 PolarHBondContact O-N 3.18Å; N81-R83 PolarHBondContact O-N 2.88Å; N81-N296 PolarHBondContact OD1-ND2 3.16Å
82	P	70.9	Confident	80.6	Confident	7 Å²	7	44 Å²	44	5%	0.045	23%	0.23	C	C	.	.			trans	-56.9	134	-175.1	24	-34	0	0	0	110.8	Q73 E220	Q73-P82 HydrophobicContact CG-CB 4.24Å; P82-E220 HydrophobicContact CG-CG 4.14Å
83	R	85.5	Confident	80.4	Confident	53 Å²	53	50.6 Å²	50.6	20%	0.2	26%	0.259	C	S	.	.			trans	-116.6	102.9	178.8	-79.7	-174.9	51.2	-119.9	-12.2	111.1	L74 D77 N81	L74-R83 WeakPolarHBondContact CD1-O 3.35Å; L74-R83 PolarHBondContact N-O 3.46Å; D77-R83 IonicContact OD1-NH1 3.99Å; D77-R83 VanDerWaalsContact OD2-CD 3.29Å; D77-R83 WeakPolarHBondContact OD2-CD 3.24Å; D77-R83 IonicContact OD2-CZ 2.9Å; D77-R83 IonicContact OD2-NE 3.51Å; D77-R83 IonicContact OD2-NH1 3.29Å; D77-R83 PolarHBondContact OD2-NH1 3.2Å; N81-R83 PolarHBondContact O-N 2.88Å
84	W	91.2	Very high	80.2	Confident	42 Å²	42	51 Å²	51	16%	0.159	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-65.6	143.5	168.2	-59.6	108.7	0	0	0	111.9	L72 Q73 D86 R106 V107 K108 E220	L72-W84 CarbonylContact O-C 3.53Å; L72-W84 WeakPolarHBondContact O-CA 3.47Å; Q73-W84 HydrophobicContact CB-CE3 4.07Å; Q73-W84 HydrophobicContact CB-CZ3 4.03Å; W84-D86 PolarHBondContact O-N 3.15Å; W84-R106 HydrophobicContact CH2-CB 3.94Å; W84-R106 HydrophobicContact CZ3-CB 4.15Å; W84-V107 WeakPolarHBondContact CH2-O 3.4Å; W84-K108 HydrophobicContact CD2-CD 4Å; W84-K108 HydrophobicContact CD2-CG 4.21Å; W84-K108 HydrophobicContact CE3-CD 4.29Å; W84-K108 HydrophobicContact CG-CD 4.31Å; W84-K108 HydrophobicContact CH2-CB 3.79Å; W84-K108 HydrophobicContact CH2-CG 4.14Å; W84-K108 HydrophobicContact CZ2-CB 3.95Å; W84-K108 HydrophobicContact CZ2-CD 4.49Å; W84-K108 HydrophobicContact CZ2-CG 3.81Å; W84-K108 HydrophobicContact CZ3-CB 4.12Å; W84-K108 HydrophobicContact CZ3-CG 4.47Å; W84-E220 PolarHBondContact NE1-OE1 2.94Å; W84-E220 PolarHBondContact NE1-OE2 3.02Å
85	L	92.8	Very high	80.2	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.042	26%	0.26	C	S	.	.			trans	-64.5	126	167.1	-174.2	69.2	0	0	0	109.4	L54 L55 L72 P87 I91 Q94 L95 L103	L54-L85 HydrophobicContact CB-CD2 4.45Å; L54-L85 HydrophobicContact CD2-CD2 4.04Å; L55-L85 HydrophobicContact CG-CD2 4.5Å; L72-L85 HydrophobicContact CB-CB 4.14Å; L72-L85 HydrophobicContact CB-CD2 4.31Å; L72-L85 HydrophobicContact CD1-CD2 3.99Å; L72-L85 PolarHBondContact O-N 3.04Å; L85-P87 WeakPolarHBondContact O-CD 3.45Å; L85-I91 HydrophobicContact CD1-CD1 4.29Å; L85-Q94 HydrophobicContact CD1-CB 4.46Å; L85-L95 HydrophobicContact CD1-CD2 4.4Å; L85-L103 HydrophobicContact CB-CD2 4.48Å; L85-L103 HydrophobicContact CD2-CD2 4.48Å
86	D	91.3	Very high	79.9	Confident	9 Å²	9	58 Å²	58	5%	0.048	29%	0.285	C	S	.	.			trans	-84	114.2	177.5	-159.6	-68.3	0	0	0	108.6	W84 N88 K89 Q94 K299	W84-D86 PolarHBondContact O-N 3.15Å; D86-N88 PolarHBondContact O-N 3.03Å; D86-N88 VanDerWaalsContact O-N 3.15Å; D86-K89 HydrophobicContact CB-CB 4.38Å; D86-K89 HydrophobicContact CB-CD 3.93Å; D86-K89 HydrophobicContact CB-CG 4.21Å; D86-K89 PolarHBondContact O-N 2.75Å; D86-K89 IonicContact OD1-NZ 2.66Å; D86-K89 IonicContact OD2-NZ 2.7Å; D86-K89 PolarHBondContact OD2-NZ 3.37Å; D86-Q94 PolarHBondContact O-NE2 3.33Å; D86-K299 WeakPolarHBondContact OD2-CE 3.11Å; D86-K299 IonicContact OD2-NZ 3.05Å; D86-K299 PolarHBondContact OD2-NZ 3.16Å
87	P	92.3	Very high	80.3	Confident	24 Å²	24	63 Å²	63	16%	0.156	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.1	-172	20.7	-31.7	0	0	0	112.6	Q50 G51 Q52 L55 L85 K89	Q50-P87 WeakPolarHBondContact CB-O 3.16Å; G51-P87 PolarHBondContact N-O 2.92Å; G51-P87 VanDerWaalsContact N-O 3.16Å; Q52-P87 HydrophobicContact CB-CB 4.07Å; Q52-P87 PolarHBondContact N-O 3.34Å; L55-P87 HydrophobicContact CD1-CB 4.08Å; L85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-K89 VanDerWaalsContact C-N 3.3Å; P87-K89 PolarHBondContact O-N 3.39Å
88	N	90.5	Very high	80.8	Confident	88 Å²	88	62.5 Å²	62.5	47%	0.471	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	20.1	-175.3	-66.7	-60.6	0	0	0	114.2	D86 C334	D86-N88 PolarHBondContact O-N 3.03Å; D86-N88 VanDerWaalsContact O-N 3.15Å; N88-C334 WeakPolarHBondContact ND2-CB 3.35Å
89	K	91.3	Very high	82	Confident	86 Å²	86	60.3 Å²	60.3	37%	0.374	30%	0.295	S	S	.	.	S	Bend	trans	-132.3	140	179	-68.3	-179.7	-170.5	129.4	0	112.6	Q50 G51 D86 P87 Q94	Q50-K89 VanDerWaalsContact OE1-CA 3.28Å; G51-K89 PolarHBondContact N-O 3.31Å; D86-K89 HydrophobicContact CB-CB 4.38Å; D86-K89 HydrophobicContact CB-CD 3.93Å; D86-K89 HydrophobicContact CB-CG 4.21Å; D86-K89 PolarHBondContact O-N 2.75Å; D86-K89 IonicContact OD1-NZ 2.66Å; D86-K89 IonicContact OD2-NZ 2.7Å; D86-K89 PolarHBondContact OD2-NZ 3.37Å; P87-K89 VanDerWaalsContact C-N 3.3Å; P87-K89 PolarHBondContact O-N 3.39Å; K89-Q94 HydrophobicContact CB-CG 3.89Å; K89-Q94 HydrophobicContact CD-CG 4.47Å; K89-Q94 PolarHBondContact O-NE2 3.4Å
90	P	93.5	Very high	83.6	Confident	20 Å²	20	57.5 Å²	57.5	13%	0.13	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-59	138.8	176.5	-29.2	36.7	0	0	0	113.4	D49 Q50 R92 K93	D49-P90 CarbonylContact O-C 3.58Å; D49-P90 WeakPolarHBondContact O-CA 3.44Å; Q50-P90 VanDerWaalsContact OE1-N 3.09Å; P90-R92 VanDerWaalsContact C-N 3.3Å; P90-R92 HydrophobicContact CB-CG 4.35Å; P90-R92 PolarHBondContact O-N 2.92Å; P90-K93 HydrophobicContact CB-CG 4.39Å; P90-K93 HydrophobicContact CG-CD 4.43Å; P90-K93 WeakPolarHBondContact O-CB 3.29Å; P90-K93 PolarHBondContact O-N 3.17Å
91	I	92.2	Very high	85.4	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-46.3	-51.3	-178.8	-66.1	-62.6	0	0	0	111.5	V29 V45 D49 L54 L85 K93 Q94 L95 Y101	V29-I91 HydrophobicContact CG2-CG2 4.15Å; V45-I91 HydrophobicContact CG2-CG1 4.43Å; D49-I91 PolarHBondContact O-N 2.98Å; L54-I91 HydrophobicContact CB-CD1 4.31Å; L54-I91 HydrophobicContact CD2-CD1 4.18Å; L85-I91 HydrophobicContact CD1-CD1 4.29Å; I91-K93 PolarHBondContact O-N 2.88Å; I91-Q94 PolarHBondContact O-N 3.09Å; I91-L95 HydrophobicContact CG2-CB 4.45Å; I91-L95 HydrophobicContact CG2-CD1 3.83Å; I91-L95 HydrophobicContact CG2-CG 4.16Å; I91-L95 PolarHBondContact O-N 3.43Å; I91-Y101 HydrophobicContact CG2-CE2 4.31Å
92	R	90.2	Very high	86.7	Confident	127 Å²	127	54.2 Å²	54.2	48%	0.479	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-15.5	178.1	69	-171.5	174.9	134	-3.8	116.5	K47 H48 P90	K47-R92 HydrophobicContact CB-CB 4.17Å; K47-R92 WeakPolarHBondContact O-CB 3.48Å; K47-R92 WeakPolarHBondContact O-CD 3.39Å; K47-R92 WeakPolarHBondContact O-CG 3.44Å; K47-R92 PolarHBondContact O-N 2.98Å; H48-R92 VanDerWaalsContact CE1-CZ 3.44Å; H48-R92 PolarHBondContact ND1-NH2 3.35Å; P90-R92 VanDerWaalsContact C-N 3.3Å; P90-R92 HydrophobicContact CB-CG 4.35Å; P90-R92 PolarHBondContact O-N 2.92Å
93	K	89.7	Confident	87.8	Confident	141 Å²	141	53.9 Å²	53.9	61%	0.613	26%	0.257	S	S	*	.	H	α-helix	trans	-90.4	-14.4	175.9	-65	-169.3	-176.4	177	0	112.5	P90 I91	P90-K93 HydrophobicContact CB-CG 4.39Å; P90-K93 HydrophobicContact CG-CD 4.43Å; P90-K93 WeakPolarHBondContact O-CB 3.29Å; P90-K93 PolarHBondContact O-N 3.17Å; I91-K93 PolarHBondContact O-N 2.88Å
94	Q	89.6	Confident	88.3	Confident	22 Å²	22	52.8 Å²	52.8	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-112.7	-46.7	-172.5	-51.8	-159.2	77.4	0	0	112.2	L85 D86 K89 I91	L85-Q94 HydrophobicContact CD1-CB 4.46Å; D86-Q94 PolarHBondContact O-NE2 3.33Å; K89-Q94 HydrophobicContact CB-CG 3.89Å; K89-Q94 HydrophobicContact CD-CG 4.47Å; K89-Q94 PolarHBondContact O-NE2 3.4Å; I91-Q94 PolarHBondContact O-N 3.09Å
95	L	88.1	Confident	88.6	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	25%	0.248	C	C	.	.			trans	-96.5	124.8	178.5	-44.4	-172.5	0	0	0	107.4	L74 L85 I91 Y101 L103	L74-L95 HydrophobicContact CD1-CD2 3.84Å; L74-L95 HydrophobicContact CD2-CD2 3.76Å; L74-L95 HydrophobicContact CG-CD2 3.76Å; L85-L95 HydrophobicContact CD1-CD2 4.4Å; I91-L95 HydrophobicContact CG2-CB 4.45Å; I91-L95 HydrophobicContact CG2-CD1 3.83Å; I91-L95 HydrophobicContact CG2-CG 4.16Å; I91-L95 PolarHBondContact O-N 3.43Å; L95-Y101 HydrophobicContact CB-CD1 3.6Å; L95-Y101 HydrophobicContact CB-CD2 4.06Å; L95-Y101 HydrophobicContact CB-CE1 3.56Å; L95-Y101 HydrophobicContact CB-CE2 4.02Å; L95-Y101 HydrophobicContact CB-CG 3.85Å; L95-Y101 HydrophobicContact CD1-CD1 4.21Å; L95-Y101 HydrophobicContact CD1-CD2 3.65Å; L95-Y101 HydrophobicContact CD1-CE2 4.3Å; L95-Y101 HydrophobicContact CD1-CG 3.59Å; L95-Y101 HydrophobicContact CG-CD1 4.49Å; L95-Y101 HydrophobicContact CG-CD2 4.49Å; L95-Y101 HydrophobicContact CG-CG 4.33Å; L95-L103 HydrophobicContact CD1-CD1 4.22Å; L95-L103 HydrophobicContact CD2-CD2 4.49Å
96	K	74.8	Confident	88.7	Confident	181 Å²	181	51.6 Å²	51.6	79%	0.787	25%	0.25	S	C	*	.			trans	-128.5	-5.6	-167.2	-70.5	-164.5	175	-164.1	0	115.5
97	R	74.4	Confident	89	Confident	152 Å²	152	51.3 Å²	51.3	57%	0.574	25%	0.249	S	C	*	.	S	Bend	trans	-77.9	-176.6	171.4	-57	-162.1	-173.5	-177.6	-0.4	109.6	D76 Y101	D76-R97 VanDerWaalsContact CG-NE 3.26Å; D76-R97 PolarHBondContact O-NH2 2.78Å; D76-R97 IonicContact OD1-CZ 2.66Å; D76-R97 IonicContact OD1-NE 3.11Å; D76-R97 PolarHBondContact OD1-NE 2.65Å; D76-R97 IonicContact OD1-NH1 2.66Å; D76-R97 PolarHBondContact OD1-NH1 3.3Å; D76-R97 IonicContact OD1-NH2 2.74Å; D76-R97 WeakPolarHBondContact OD2-CD 3.34Å; D76-R97 IonicContact OD2-CZ 3.65Å; D76-R97 IonicContact OD2-NE 3.42Å; D76-R97 PolarHBondContact OD2-NE 3.21Å; D76-R97 IonicContact OD2-NH1 2.72Å; R97-Y101 WeakPolarHBondContact O-CE1 3.37Å; R97-Y101 PolarHBondContact O-OH 2.93Å
98	G	71.2	Confident	89.1	Confident	50 Å²	50	51.4 Å²	51.4	52%	0.515	25%	0.247	S	C	.	.	S	Bend	trans	-70.4	158.2	166.3	0	0	0	0	0	111.1
99	S	81.1	Confident	89.4	Confident	26 Å²	26	47.4 Å²	47.4	18%	0.182	23%	0.225	C	C	.	.	S	Bend	trans	-72.1	144.5	166.3	178.3	0	0	0	0	109.5	V30 H418	V30-S99 PolarHBondContact N-OG 2.82Å; S99-H418 PolarHBondContact O-CE1 3.06Å; S99-H418 PolarHBondContact O-ND1 3.48Å
100	P	87.5	Confident	89.7	Confident	42 Å²	42	44.8 Å²	44.8	27%	0.273	21%	0.213	S	C	.	.	S	Bend	cis	-73.7	145.6	1.4	31.3	-35.9	0	0	0	113.5	V30	V30-P100 HydrophobicContact CB-CB 4.03Å; V30-P100 HydrophobicContact CG1-CB 4.08Å; V30-P100 CarbonylContact O-C 3.57Å; V30-P100 WeakPolarHBondContact O-CA 3.26Å
101	Y	91.1	Very high	89.7	Confident	24 Å²	24	43.8 Å²	43.8	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.3	168.9	-60.6	-60.1	0	0	0	110.4	V29 V30 C31 N32 I91 L95 R97	V29-Y101 HydrophobicContact CB-CD2 4.21Å; V29-Y101 HydrophobicContact CB-CE2 3.81Å; V29-Y101 HydrophobicContact CG1-CE2 3.93Å; V29-Y101 HydrophobicContact CG2-CD2 4.27Å; V29-Y101 HydrophobicContact CG2-CE2 3.94Å; V30-Y101 PolarHBondContact O-N 2.91Å; C31-Y101 CarbonylContact C-O 3.36Å; C31-Y101 WeakPolarHBondContact CA-O 3.31Å; N32-Y101 PolarHBondContact N-O 3.42Å; I91-Y101 HydrophobicContact CG2-CE2 4.31Å; L95-Y101 HydrophobicContact CB-CD1 3.6Å; L95-Y101 HydrophobicContact CB-CD2 4.06Å; L95-Y101 HydrophobicContact CB-CE1 3.56Å; L95-Y101 HydrophobicContact CB-CE2 4.02Å; L95-Y101 HydrophobicContact CB-CG 3.85Å; L95-Y101 HydrophobicContact CD1-CD1 4.21Å; L95-Y101 HydrophobicContact CD1-CD2 3.65Å; L95-Y101 HydrophobicContact CD1-CE2 4.3Å; L95-Y101 HydrophobicContact CD1-CG 3.59Å; L95-Y101 HydrophobicContact CG-CD1 4.49Å; L95-Y101 HydrophobicContact CG-CD2 4.49Å; L95-Y101 HydrophobicContact CG-CG 4.33Å; R97-Y101 WeakPolarHBondContact O-CE1 3.37Å; R97-Y101 PolarHBondContact O-OH 2.93Å
102	N	92.1	Very high	89.7	Confident	26 Å²	26	46.7 Å²	46.7	14%	0.139	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.3	177.8	-53.1	-60.7	0	0	0	111	N32 A75 W370	N32-N102 WeakPolarHBondContact CB-OD1 3.39Å; N32-N102 PolarHBondContact ND2-OD1 3.15Å; N32-N102 WeakPolarHBondContact O-CA 3.41Å; A75-N102 HydrophobicContact CB-CB 4.11Å; A75-N102 WeakPolarHBondContact CB-O 3.45Å; A75-N102 PolarHBondContact N-O 2.84Å; A75-N102 VanDerWaalsContact N-O 3.14Å; N102-W370 HydrophobicContact CB-CZ2 3.99Å
103	L	94.2	Very high	89.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.6	176	-54.1	90.6	0	0	0	110	C31 N32 I33 L34 L54 L72 Q73 L74 L85 L95	C31-L103 HydrophobicContact CB-CD1 4.26Å; N32-L103 PolarHBondContact O-N 3.28Å; I33-L103 CarbonylContact C-O 3.07Å; I33-L103 VanDerWaalsContact CA-O 3.31Å; I33-L103 WeakPolarHBondContact CA-O 3.45Å; I33-L103 HydrophobicContact CD1-CB 3.85Å; I33-L103 HydrophobicContact CD1-CD1 3.91Å; I33-L103 HydrophobicContact CD1-CG 4.4Å; L34-L103 PolarHBondContact N-O 2.86Å; L54-L103 HydrophobicContact CD2-CD1 4.43Å; L72-L103 HydrophobicContact CB-CB 4.38Å; L72-L103 HydrophobicContact CB-CD2 3.91Å; Q73-L103 CarbonylContact O-C 3.26Å; Q73-L103 VanDerWaalsContact O-CA 3.25Å; Q73-L103 WeakPolarHBondContact O-CA 3.47Å; Q73-L103 WeakPolarHBondContact O-CB 3.28Å; L74-L103 HydrophobicContact CD1-CD2 4.05Å; L85-L103 HydrophobicContact CB-CD2 4.48Å; L85-L103 HydrophobicContact CD2-CD2 4.48Å; L95-L103 HydrophobicContact CD1-CD1 4.22Å; L95-L103 HydrophobicContact CD2-CD2 4.49Å
104	N	94.7	Very high	90.1	Very high	30 Å²	30	36.5 Å²	36.5	16%	0.16	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126	177	-55.9	-25.4	0	0	0	108.7	L72 Q73 R106	L72-N104 WeakPolarHBondContact CA-O 3.28Å; Q73-N104 PolarHBondContact N-O 3.22Å; Q73-N104 PolarHBondContact O-N 3.2Å; N104-R106 HydrophobicContact CB-CG 4.31Å
105	F	97.3	Very high	90.2	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124	166.1	-176.2	-102.2	0	0	0	108.7	I33 L34 L35 L36 V58 F59 L62 L64 F70 L72	I33-F105 HydrophobicContact CG2-CB 3.89Å; L34-F105 WeakPolarHBondContact O-CB 3.42Å; L34-F105 PolarHBondContact O-N 2.92Å; L35-F105 HydrophobicContact CD2-CB 3.9Å; L35-F105 HydrophobicContact CD2-CD1 4.43Å; L35-F105 HydrophobicContact CD2-CG 4.18Å; L36-F105 HydrophobicContact CD1-CD1 3.89Å; L36-F105 HydrophobicContact CD1-CE1 4.05Å; L36-F105 WeakPolarHBondContact CD2-O 3.43Å; L36-F105 HydrophobicContact CG-CD1 4.02Å; V58-F105 HydrophobicContact CG1-CD2 3.69Å; V58-F105 HydrophobicContact CG1-CE2 3.99Å; V58-F105 HydrophobicContact CG1-CG 4.5Å; F59-F105 HydrophobicContact CD1-CE2 4.02Å; F59-F105 AromaticContact CE1-CE2 3.78Å; F59-F105 HydrophobicContact CE1-CE2 3.78Å; F59-F105 HydrophobicContact CE1-CZ 4.38Å; L62-F105 HydrophobicContact CD1-CD1 4.07Å; L62-F105 HydrophobicContact CD1-CD2 4.21Å; L62-F105 HydrophobicContact CD1-CE1 3.61Å; L62-F105 HydrophobicContact CD1-CE2 3.74Å; L62-F105 HydrophobicContact CD1-CG 4.36Å; L62-F105 HydrophobicContact CD1-CZ 3.43Å; L62-F105 VanDerWaalsContact CD1-CZ 3.43Å; L64-F105 HydrophobicContact CD2-CZ 4.09Å; F70-F105 HydrophobicContact CB-CE2 3.86Å; F70-F105 HydrophobicContact CB-CZ 3.68Å; F70-F105 AromaticContact CD1-CE1 3.61Å; F70-F105 HydrophobicContact CD1-CE1 3.61Å; F70-F105 HydrophobicContact CD1-CE2 4.46Å; F70-F105 AromaticContact CD1-CZ 3.55Å; F70-F105 HydrophobicContact CD1-CZ 3.55Å; F70-F105 HydrophobicContact CD2-CZ 4.45Å; F70-F105 HydrophobicContact CE1-CE1 4.09Å; F70-F105 HydrophobicContact CE1-CZ 4.3Å; F70-F105 HydrophobicContact CG-CE1 4.2Å; F70-F105 HydrophobicContact CG-CE2 4.34Å; F70-F105 AromaticContact CG-CZ 3.65Å; F70-F105 HydrophobicContact CG-CZ 3.65Å; L72-F105 HydrophobicContact CD2-CB 4.14Å; L72-F105 HydrophobicContact CD2-CD2 4.11Å
106	R	96	Very high	90.6	Very high	23 Å²	23	41.9 Å²	41.9	9%	0.087	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.2	-175.9	-76.2	-164.6	154.3	-117.5	-4.6	112.1	L36 F70 G71 W84 N104 K108 Q129 D133	L36-R106 HydrophobicContact CD2-CG 4.46Å; F70-R106 WeakPolarHBondContact CA-O 3.44Å; G71-R106 PolarHBondContact N-O 2.75Å; G71-R106 PolarHBondContact O-N 2.9Å; W84-R106 HydrophobicContact CH2-CB 3.94Å; W84-R106 HydrophobicContact CZ3-CB 4.15Å; N104-R106 HydrophobicContact CB-CG 4.31Å; R106-K108 PolarHBondContact O-N 2.86Å; R106-Q129 VanDerWaalsContact CA-OE1 3.25Å; R106-Q129 VanDerWaalsContact CG-OE1 3.27Å; R106-Q129 VanDerWaalsContact CZ-NE2 3.31Å; R106-Q129 VanDerWaalsContact NH1-NE2 3.11Å; R106-D133 IonicContact CZ-OD1 3.63Å; R106-D133 VanDerWaalsContact CZ-OD1 3.23Å; R106-D133 VanDerWaalsContact NH1-CG 3.32Å; R106-D133 IonicContact NH1-OD1 3.95Å; R106-D133 PolarHBondContact NH1-OD1 3.47Å; R106-D133 IonicContact NH1-OD2 2.67Å; R106-D133 PolarHBondContact NH1-OD2 2.76Å; R106-D133 IonicContact NH2-OD1 3.19Å; R106-D133 PolarHBondContact NH2-OD1 2.77Å
107	V	96.8	Very high	91.5	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	129.9	165.5	179.2	0	0	0	0	107.9	F70 W84 F110 Y126 Q129	F70-V107 HydrophobicContact CD1-CG2 4.02Å; F70-V107 HydrophobicContact CE1-CG2 3.65Å; F70-V107 HydrophobicContact CZ-CG2 4.47Å; W84-V107 WeakPolarHBondContact CH2-O 3.4Å; V107-F110 HydrophobicContact CB-CD2 4.48Å; V107-F110 HydrophobicContact CB-CE1 4.17Å; V107-F110 HydrophobicContact CB-CE2 3.92Å; V107-F110 HydrophobicContact CB-CZ 3.76Å; V107-F110 HydrophobicContact CG1-CD1 4.07Å; V107-F110 HydrophobicContact CG1-CD2 3.79Å; V107-F110 HydrophobicContact CG1-CE1 4.03Å; V107-F110 HydrophobicContact CG1-CE2 3.74Å; V107-F110 HydrophobicContact CG1-CG 3.97Å; V107-F110 HydrophobicContact CG1-CZ 3.88Å; V107-Y126 HydrophobicContact CG1-CD1 4.28Å; V107-Y126 HydrophobicContact CG1-CE1 3.69Å; V107-Y126 HydrophobicContact CG1-CE2 4.11Å; V107-Y126 HydrophobicContact CG2-CD1 4.33Å; V107-Y126 HydrophobicContact CG2-CD2 3.96Å; V107-Y126 HydrophobicContact CG2-CE1 4.46Å; V107-Y126 HydrophobicContact CG2-CE2 4.12Å; V107-Y126 HydrophobicContact CG2-CG 4.09Å; V107-Q129 HydrophobicContact CB-CG 4Å; V107-Q129 HydrophobicContact CG2-CB 3.8Å; V107-Q129 HydrophobicContact CG2-CG 3.8Å
108	K	94.9	Very high	92.5	Very high	26 Å²	26	28.1 Å²	28.1	11%	0.113	16%	0.162	C	C	.	.			trans	-102.6	-38.8	177.7	-177.2	172.7	-178.4	-179.3	0	112.3	Y69 W84 R106 E303	Y69-K108 PolarHBondContact O-N 3.23Å; W84-K108 HydrophobicContact CD2-CD 4Å; W84-K108 HydrophobicContact CD2-CG 4.21Å; W84-K108 HydrophobicContact CE3-CD 4.29Å; W84-K108 HydrophobicContact CG-CD 4.31Å; W84-K108 HydrophobicContact CH2-CB 3.79Å; W84-K108 HydrophobicContact CH2-CG 4.14Å; W84-K108 HydrophobicContact CZ2-CB 3.95Å; W84-K108 HydrophobicContact CZ2-CD 4.49Å; W84-K108 HydrophobicContact CZ2-CG 3.81Å; W84-K108 HydrophobicContact CZ3-CB 4.12Å; W84-K108 HydrophobicContact CZ3-CG 4.47Å; R106-K108 PolarHBondContact O-N 2.86Å; K108-E303 WeakPolarHBondContact CE-OE2 3.5Å; K108-E303 IonicContact NZ-OE1 3Å; K108-E303 IonicContact NZ-OE2 2.66Å; K108-E303 PolarHBondContact NZ-OE2 2.65Å
109	F	96.8	Very high	93.6	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.018	14%	0.137	C	C	.	.	S	Bend	trans	-120.1	99.5	-177.3	-60.5	-55.4	0	0	0	110.7	D68 Y69 V111 Y126 E303 H304 F307 F308 Y333	D68-F109 VanDerWaalsContact O-CD2 3.26Å; D68-F109 WeakPolarHBondContact O-CD2 3.28Å; Y69-F109 PolarHBondContact O-N 3.47Å; F109-V111 PolarHBondContact O-N 3.11Å; F109-Y126 PolarHBondContact O-OH 2.93Å; F109-E303 HydrophobicContact CE1-CB 4.22Å; F109-E303 HydrophobicContact CZ-CB 4.11Å; F109-H304 AromaticContact CD1-NE2 3.94Å; F109-H304 AromaticContact CE1-ND1 4Å; F109-F307 HydrophobicContact CB-CD1 3.62Å; F109-F307 HydrophobicContact CB-CE1 3.54Å; F109-F307 HydrophobicContact CB-CG 4.32Å; F109-F307 HydrophobicContact CB-CZ 4.2Å; F109-F307 HydrophobicContact CD1-CB 4.31Å; F109-F307 HydrophobicContact CD1-CD1 4.24Å; F109-F307 HydrophobicContact CD1-CG 4.31Å; F109-F307 HydrophobicContact CD2-CB 4.35Å; F109-F307 AromaticContact CD2-CD1 3.9Å; F109-F307 HydrophobicContact CD2-CD1 3.9Å; F109-F307 AromaticContact CD2-CD2 3.78Å; F109-F307 HydrophobicContact CD2-CD2 3.78Å; F109-F307 HydrophobicContact CD2-CE1 4.09Å; F109-F307 AromaticContact CD2-CE2 3.98Å; F109-F307 HydrophobicContact CD2-CE2 3.98Å; F109-F307 AromaticContact CD2-CG 3.73Å; F109-F307 HydrophobicContact CD2-CG 3.73Å; F109-F307 HydrophobicContact CD2-CZ 4.12Å; F109-F307 HydrophobicContact CE1-CB 4.26Å; F109-F307 HydrophobicContact CE2-CB 4.31Å; F109-F307 AromaticContact CE2-CD2 3.99Å; F109-F307 HydrophobicContact CE2-CD2 3.99Å; F109-F307 HydrophobicContact CE2-CE2 4.49Å; F109-F307 HydrophobicContact CE2-CG 4.07Å; F109-F307 HydrophobicContact CG-CB 4.37Å; F109-F307 AromaticContact CG-CD1 3.67Å; F109-F307 HydrophobicContact CG-CD1 3.67Å; F109-F307 HydrophobicContact CG-CD2 4.38Å; F109-F307 AromaticContact CG-CE1 3.99Å; F109-F307 HydrophobicContact CG-CE1 3.99Å; F109-F307 AromaticContact CG-CG 3.88Å; F109-F307 HydrophobicContact CG-CG 3.88Å; F109-F307 HydrophobicContact CG-CZ 4.47Å; F109-F307 HydrophobicContact CZ-CB 4.26Å; F109-F307 HydrophobicContact CZ-CG 4.48Å; F109-F308 HydrophobicContact CB-CE2 3.87Å; F109-F308 HydrophobicContact CB-CZ 3.69Å; F109-F308 HydrophobicContact CD1-CE2 4.01Å; F109-F308 HydrophobicContact CG-CE2 4.29Å; F109-Y333 HydrophobicContact CE2-CE2 4.15Å; F109-Y333 HydrophobicContact CZ-CE2 4.01Å
110	F	96.9	Very high	94.2	Very high	30 Å²	30	27.1 Å²	27.1	13%	0.132	14%	0.141	C	C	.	.			trans	-77.6	114.3	-179.7	-72.1	-101.2	0	0	0	111.4	V107 Y126 Q129 I130 Y217 G218 F308	V107-F110 HydrophobicContact CB-CD2 4.48Å; V107-F110 HydrophobicContact CB-CE1 4.17Å; V107-F110 HydrophobicContact CB-CE2 3.92Å; V107-F110 HydrophobicContact CB-CZ 3.76Å; V107-F110 HydrophobicContact CG1-CD1 4.07Å; V107-F110 HydrophobicContact CG1-CD2 3.79Å; V107-F110 HydrophobicContact CG1-CE1 4.03Å; V107-F110 HydrophobicContact CG1-CE2 3.74Å; V107-F110 HydrophobicContact CG1-CG 3.97Å; V107-F110 HydrophobicContact CG1-CZ 3.88Å; F110-Y126 HydrophobicContact CD1-CE1 4.37Å; F110-Q129 HydrophobicContact CE1-CG 4.16Å; F110-Q129 HydrophobicContact CZ-CG 3.84Å; F110-I130 HydrophobicContact CE1-CG1 4.18Å; F110-Y217 HydrophobicContact CB-CE1 4.1Å; F110-Y217 HydrophobicContact CD1-CE2 4.01Å; F110-G218 VanDerWaalsContact CB-CA 3.48Å; F110-G218 VanDerWaalsContact CG-CA 3.45Å; F110-F308 WeakPolarHBondContact O-CZ 3.41Å
111	V	95.2	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.			trans	-65.7	143	176.1	-66	0	0	0	0	111.2	Y69 F109 D113 K116 L117 Y126 Y217	Y69-V111 HydrophobicContact CD1-CG1 4Å; Y69-V111 HydrophobicContact CE1-CG1 3.42Å; Y69-V111 VanDerWaalsContact CE1-CG1 3.42Å; F109-V111 PolarHBondContact O-N 3.11Å; V111-D113 VanDerWaalsContact C-N 3.26Å; V111-D113 WeakPolarHBondContact CG2-O 2.99Å; V111-D113 PolarHBondContact O-N 2.91Å; V111-K116 HydrophobicContact CB-CB 4.42Å; V111-K116 HydrophobicContact CB-CD 4.37Å; V111-K116 HydrophobicContact CG1-CB 4.19Å; V111-K116 HydrophobicContact CG1-CD 4.36Å; V111-L117 HydrophobicContact CG1-CD2 3.96Å; V111-L117 HydrophobicContact CG2-CD1 4.12Å; V111-L117 HydrophobicContact CG2-CD2 3.87Å; V111-L117 HydrophobicContact CG2-CG 3.89Å; V111-Y126 HydrophobicContact CG2-CE1 4.09Å; V111-Y217 VanDerWaalsContact O-CE1 3.32Å; V111-Y217 WeakPolarHBondContact O-CE1 3.17Å; V111-Y217 PolarHBondContact O-OH 3.32Å
112	S	91.8	Very high	94.9	Very high	61 Å²	61	25.2 Å²	25.2	43%	0.427	13%	0.128	S	C	.	.	S	Bend	trans	-75.3	-14.7	176	52.8	0	0	0	0	114	R212	S112-R212 PolarHBondContact O-NH1 3.15Å
113	D	93	Very high	95.1	Very high	54 Å²	54	26.3 Å²	26.3	29%	0.289	13%	0.13	S	C	.	.	S	Bend	trans	-141.2	115.5	-178.2	177.2	7.3	0	0	0	109.4	V111 N115 K116	V111-D113 VanDerWaalsContact C-N 3.26Å; V111-D113 WeakPolarHBondContact CG2-O 2.99Å; V111-D113 PolarHBondContact O-N 2.91Å; D113-N115 PolarHBondContact O-N 2.71Å; D113-N115 WeakPolarHBondContact OD1-CB 3.2Å; D113-N115 PolarHBondContact OD1-N 3.43Å; D113-N115 PolarHBondContact OD1-ND2 2.99Å; D113-K116 HydrophobicContact CB-CG 4.36Å; D113-K116 WeakPolarHBondContact O-CB 3.41Å; D113-K116 WeakPolarHBondContact O-CG 3.15Å; D113-K116 PolarHBondContact O-N 2.66Å; D113-K116 VanDerWaalsContact O-N 3.11Å
114	P	94.4	Very high	95.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-58.4	-21.8	177.3	-27	36.9	0	0	0	114.7	K116 L117 F205 L208	P114-K116 PolarHBondContact O-N 3.11Å; P114-K116 VanDerWaalsContact O-N 3.1Å; P114-L117 PolarHBondContact O-N 3.29Å; P114-F205 HydrophobicContact CB-CD2 4.06Å; P114-F205 HydrophobicContact CB-CE2 3.84Å; P114-L208 HydrophobicContact CB-CB 3.95Å; P114-L208 HydrophobicContact CB-CD1 4.15Å; P114-L208 HydrophobicContact CG-CB 3.65Å
115	N	93.1	Very high	95.4	Very high	97 Å²	97	25.3 Å²	25.3	52%	0.519	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-62.6	-14.9	174.8	-67.1	-84.7	0	0	0	113.4	D113 L117 Q118 F205	D113-N115 PolarHBondContact O-N 2.71Å; D113-N115 WeakPolarHBondContact OD1-CB 3.2Å; D113-N115 PolarHBondContact OD1-N 3.43Å; D113-N115 PolarHBondContact OD1-ND2 2.99Å; N115-L117 VanDerWaalsContact C-N 3.33Å; N115-Q118 PolarHBondContact O-NE2 3.1Å; N115-F205 WeakPolarHBondContact OD1-CZ 3.37Å
116	K	94.7	Very high	95.4	Very high	47 Å²	47	25.3 Å²	25.3	20%	0.204	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-72.5	-25.1	173.9	-63.7	-172.2	-168.1	-179.9	0	112.9	V111 D113 P114 Q118 E338 V342	V111-K116 HydrophobicContact CB-CB 4.42Å; V111-K116 HydrophobicContact CB-CD 4.37Å; V111-K116 HydrophobicContact CG1-CB 4.19Å; V111-K116 HydrophobicContact CG1-CD 4.36Å; D113-K116 HydrophobicContact CB-CG 4.36Å; D113-K116 WeakPolarHBondContact O-CB 3.41Å; D113-K116 WeakPolarHBondContact O-CG 3.15Å; D113-K116 PolarHBondContact O-N 2.66Å; D113-K116 VanDerWaalsContact O-N 3.11Å; P114-K116 PolarHBondContact O-N 3.11Å; P114-K116 VanDerWaalsContact O-N 3.1Å; K116-Q118 VanDerWaalsContact C-NE2 3.26Å; K116-Q118 PolarHBondContact O-N 3.44Å; K116-Q118 PolarHBondContact O-NE2 3.37Å; K116-E338 VanDerWaalsContact CD-CD 3.48Å; K116-E338 HydrophobicContact CD-CG 4.19Å; K116-E338 WeakPolarHBondContact CD-OE1 3.25Å; K116-E338 IonicContact NZ-OE1 2.77Å; K116-E338 PolarHBondContact NZ-OE1 2.84Å; K116-E338 IonicContact NZ-OE2 2.75Å; K116-E338 PolarHBondContact NZ-OE2 3Å; K116-V342 HydrophobicContact CB-CG2 3.81Å; K116-V342 HydrophobicContact CD-CG2 4.47Å; K116-V342 HydrophobicContact CG-CG2 4.25Å
117	L	95.6	Very high	95.5	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	12%	0.12	C	C	.	.			trans	-83.4	108.1	178.9	-50.3	178.8	0	0	0	109.2	Y69 V111 P114 N115 T122 R123 Y126 L208	Y69-L117 HydrophobicContact CD1-CD2 4.4Å; Y69-L117 HydrophobicContact CD2-CD2 3.94Å; Y69-L117 HydrophobicContact CE1-CD2 4.17Å; Y69-L117 HydrophobicContact CE2-CD2 3.68Å; Y69-L117 HydrophobicContact CG-CD2 4.31Å; V111-L117 HydrophobicContact CG1-CD2 3.96Å; V111-L117 HydrophobicContact CG2-CD1 4.12Å; V111-L117 HydrophobicContact CG2-CD2 3.87Å; V111-L117 HydrophobicContact CG2-CG 3.89Å; P114-L117 PolarHBondContact O-N 3.29Å; N115-L117 VanDerWaalsContact C-N 3.33Å; L117-T122 HydrophobicContact CB-CG2 4.02Å; L117-T122 HydrophobicContact CD1-CG2 4.28Å; L117-T122 HydrophobicContact CD2-CG2 3.86Å; L117-T122 HydrophobicContact CG-CG2 4.25Å; L117-R123 HydrophobicContact CB-CG 3.7Å; L117-R123 HydrophobicContact CD1-CG 4.2Å; L117-R123 PolarHBondContact O-NH1 3.41Å; L117-Y126 HydrophobicContact CD1-CD1 3.91Å; L117-Y126 HydrophobicContact CD1-CD2 3.56Å; L117-Y126 HydrophobicContact CD1-CE1 4.1Å; L117-Y126 HydrophobicContact CD1-CE2 3.75Å; L117-Y126 HydrophobicContact CD1-CG 3.62Å; L117-Y126 HydrophobicContact CD2-CD2 4.42Å; L117-Y126 HydrophobicContact CD2-CE2 3.77Å; L117-Y126 HydrophobicContact CG-CE2 4.43Å; L117-L208 HydrophobicContact CD1-CD1 4.5Å
118	Q	94.8	Very high	95.5	Very high	40 Å²	40	24.3 Å²	24.3	19%	0.187	12%	0.121	C	C	.	.			trans	-79.6	-39.4	-170.2	-54.5	-55.7	-74.7	0	0	112.4	E66 N115 K116 R123 K346 A349	E66-Q118 VanDerWaalsContact CD-N 3.32Å; E66-Q118 WeakPolarHBondContact OE1-CB 3.43Å; E66-Q118 PolarHBondContact OE1-N 2.75Å; E66-Q118 PolarHBondContact OE2-N 2.98Å; E66-Q118 VanDerWaalsContact OE2-N 3.08Å; N115-Q118 PolarHBondContact O-NE2 3.1Å; K116-Q118 VanDerWaalsContact C-NE2 3.26Å; K116-Q118 PolarHBondContact O-N 3.44Å; K116-Q118 PolarHBondContact O-NE2 3.37Å; Q118-R123 VanDerWaalsContact C-NH1 3.32Å; Q118-R123 PolarHBondContact O-NH1 2.76Å; Q118-K346 HydrophobicContact CG-CG 4.26Å; Q118-A349 HydrophobicContact CB-CB 4.03Å
119	E	93.9	Very high	95.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.115	C	C	.	.	S	Bend	trans	-80.6	140.8	177.6	-63.5	-175.7	133.3	0	0	112	T65 E66 Y121 T122 R123 A349 N350	T65-E119 WeakPolarHBondContact CB-OE1 3.45Å; T65-E119 WeakPolarHBondContact CB-OE2 3.44Å; T65-E119 PolarHBondContact N-OE2 3.26Å; T65-E119 PolarHBondContact OG1-OE1 2.86Å; T65-E119 PolarHBondContact OG1-OE2 2.86Å; E66-E119 HydrophobicContact CG-CG 4.38Å; E66-E119 PolarHBondContact OE2-N 3.32Å; E119-Y121 VanDerWaalsContact C-N 3.28Å; E119-Y121 PolarHBondContact O-N 2.66Å; E119-T122 PolarHBondContact O-N 3.47Å; E119-R123 PolarHBondContact O-N 3.41Å; E119-R123 PolarHBondContact O-NH1 2.53Å; E119-A349 HydrophobicContact CG-CB 3.44Å; E119-A349 VanDerWaalsContact CG-CB 3.44Å; E119-N350 PolarHBondContact OE1-N 2.79Å
120	E	94.4	Very high	95.5	Very high	54 Å²	54	22.9 Å²	22.9	25%	0.252	12%	0.115	S	C	.	.	H	α-helix	trans	-60.7	-40.4	170.1	-172.2	179.2	129.9	0	0	111.3	T122 R123 Y124 A201 F355 R357	E120-T122 VanDerWaalsContact C-N 3.31Å; E120-T122 PolarHBondContact O-N 2.9Å; E120-R123 VanDerWaalsContact CA-NH2 3.33Å; E120-R123 WeakPolarHBondContact O-CB 3.49Å; E120-R123 PolarHBondContact O-N 2.77Å; E120-R123 VanDerWaalsContact O-N 3.13Å; E120-Y124 WeakPolarHBondContact O-CB 3.49Å; E120-Y124 PolarHBondContact O-N 3.15Å; E120-A201 VanDerWaalsContact CD-CB 3.48Å; E120-A201 HydrophobicContact CG-CB 4Å; E120-A201 WeakPolarHBondContact OE2-CB 3.29Å; E120-F355 HydrophobicContact CB-CE1 4.23Å; E120-F355 HydrophobicContact CG-CE1 4.03Å; E120-F355 HydrophobicContact CG-CZ 4.05Å; E120-R357 IonicContact OE1-CZ 3.03Å; E120-R357 VanDerWaalsContact OE1-CZ 3.29Å; E120-R357 IonicContact OE1-NH1 3.75Å; E120-R357 PolarHBondContact OE1-NH1 3.15Å; E120-R357 IonicContact OE1-NH2 3.48Å; E120-R357 PolarHBondContact OE1-NH2 3.29Å
121	Y	95.7	Very high	95.4	Very high	27 Å²	27	22.5 Å²	22.5	11%	0.106	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-36.5	177.6	-168.3	-110.1	0	0	0	112.6	L62 L64 E119 Y124 Q125 R353 F355	L62-Y121 HydrophobicContact CB-CE1 4.34Å; L62-Y121 VanDerWaalsContact O-CE1 3.22Å; L62-Y121 WeakPolarHBondContact O-CE1 3.4Å; L64-Y121 HydrophobicContact CD1-CD1 4.02Å; L64-Y121 HydrophobicContact CD1-CE1 4.5Å; E119-Y121 VanDerWaalsContact C-N 3.28Å; E119-Y121 PolarHBondContact O-N 2.66Å; Y121-Y124 HydrophobicContact CD2-CD1 4.46Å; Y121-Y124 HydrophobicContact CE2-CD1 4.48Å; Y121-Y124 WeakPolarHBondContact O-CB 3.49Å; Y121-Y124 PolarHBondContact O-N 3.21Å; Y121-Q125 HydrophobicContact CD1-CG 4.26Å; Y121-Q125 HydrophobicContact CE1-CG 4.06Å; Y121-Q125 VanDerWaalsContact CZ-NE2 3.31Å; Y121-Q125 VanDerWaalsContact O-CG 3.32Å; Y121-Q125 WeakPolarHBondContact O-CG 3.49Å; Y121-Q125 PolarHBondContact O-N 3.23Å; Y121-Q125 PolarHBondContact OH-NE2 3.45Å; Y121-R353 VanDerWaalsContact CZ-NH2 3.34Å; Y121-F355 HydrophobicContact CD2-CB 4.17Å; Y121-F355 AromaticContact CD2-CD1 3.76Å; Y121-F355 HydrophobicContact CD2-CD1 3.76Å; Y121-F355 AromaticContact CD2-CD2 3.71Å; Y121-F355 HydrophobicContact CD2-CD2 3.71Å; Y121-F355 HydrophobicContact CD2-CE1 4.05Å; Y121-F355 AromaticContact CD2-CE2 4Å; Y121-F355 HydrophobicContact CD2-CE2 4Å; Y121-F355 AromaticContact CD2-CG 3.59Å; Y121-F355 HydrophobicContact CD2-CG 3.59Å; Y121-F355 HydrophobicContact CD2-CZ 4.16Å; Y121-F355 HydrophobicContact CE2-CB 4.33Å; Y121-F355 HydrophobicContact CE2-CD2 4.06Å; Y121-F355 HydrophobicContact CE2-CG 4.11Å; Y121-F355 HydrophobicContact CG-CD1 4.44Å
122	T	96.6	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-46.1	172.6	-55.8	0	0	0	0	111.2	E66 Y69 F70 L117 E119 E120 Y124 Q125 Y126	E66-T122 HydrophobicContact CB-CG2 4.12Å; E66-T122 WeakPolarHBondContact OE2-CB 3.31Å; E66-T122 PolarHBondContact OE2-OG1 3.27Å; Y69-T122 HydrophobicContact CD2-CG2 4.23Å; F70-T122 HydrophobicContact CE2-CG2 4.05Å; F70-T122 HydrophobicContact CZ-CG2 4.17Å; L117-T122 HydrophobicContact CB-CG2 4.02Å; L117-T122 HydrophobicContact CD1-CG2 4.28Å; L117-T122 HydrophobicContact CD2-CG2 3.86Å; L117-T122 HydrophobicContact CG-CG2 4.25Å; E119-T122 PolarHBondContact O-N 3.47Å; E120-T122 VanDerWaalsContact C-N 3.31Å; E120-T122 PolarHBondContact O-N 2.9Å; T122-Y124 VanDerWaalsContact C-N 3.29Å; T122-Y124 PolarHBondContact O-N 2.96Å; T122-Q125 PolarHBondContact O-N 3.09Å; T122-Y126 HydrophobicContact CG2-CD2 4.21Å; T122-Y126 HydrophobicContact CG2-CE2 4.1Å; T122-Y126 WeakPolarHBondContact O-CD2 3.32Å; T122-Y126 PolarHBondContact O-N 3.42Å
123	R	96.8	Very high	95.4	Very high	49 Å²	49	21.4 Å²	21.4	19%	0.185	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-41.4	175.1	-66.3	-174.1	-64.4	-87.9	3.9	111.2	L117 Q118 E119 E120 Y126 F127 L208	L117-R123 HydrophobicContact CB-CG 3.7Å; L117-R123 HydrophobicContact CD1-CG 4.2Å; L117-R123 PolarHBondContact O-NH1 3.41Å; Q118-R123 VanDerWaalsContact C-NH1 3.32Å; Q118-R123 PolarHBondContact O-NH1 2.76Å; E119-R123 PolarHBondContact O-N 3.41Å; E119-R123 PolarHBondContact O-NH1 2.53Å; E120-R123 VanDerWaalsContact CA-NH2 3.33Å; E120-R123 WeakPolarHBondContact O-CB 3.49Å; E120-R123 PolarHBondContact O-N 2.77Å; E120-R123 VanDerWaalsContact O-N 3.13Å; R123-Y126 WeakPolarHBondContact O-CB 3.24Å; R123-Y126 PolarHBondContact O-N 2.89Å; R123-F127 PolarHBondContact O-N 2.95Å; R123-L208 HydrophobicContact CB-CD1 3.96Å; R123-L208 HydrophobicContact CG-CD1 4.29Å
124	Y	96.8	Very high	95.5	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.016	9%	0.089	C	C	.	.	H	α-helix	trans	-63.2	-43.5	176.1	-176.1	-115.9	0	0	0	113.2	E120 Y121 T122 Y126 F127 L128 E204 F355 R357 S358	E120-Y124 WeakPolarHBondContact O-CB 3.49Å; E120-Y124 PolarHBondContact O-N 3.15Å; Y121-Y124 HydrophobicContact CD2-CD1 4.46Å; Y121-Y124 HydrophobicContact CE2-CD1 4.48Å; Y121-Y124 WeakPolarHBondContact O-CB 3.49Å; Y121-Y124 PolarHBondContact O-N 3.21Å; T122-Y124 VanDerWaalsContact C-N 3.29Å; T122-Y124 PolarHBondContact O-N 2.96Å; Y124-Y126 VanDerWaalsContact C-N 3.33Å; Y124-Y126 PolarHBondContact O-N 3.15Å; Y124-F127 AromaticContact CD2-CD1 3.82Å; Y124-F127 HydrophobicContact CD2-CD1 3.82Å; Y124-F127 HydrophobicContact CD2-CE1 4.41Å; Y124-F127 AromaticContact CE2-CD1 3.72Å; Y124-F127 HydrophobicContact CE2-CD1 3.72Å; Y124-F127 AromaticContact CE2-CE1 3.92Å; Y124-F127 HydrophobicContact CE2-CE1 3.92Å; Y124-F127 WeakPolarHBondContact O-CB 3.43Å; Y124-F127 PolarHBondContact O-N 3.34Å; Y124-L128 HydrophobicContact CD1-CD1 4.02Å; Y124-L128 HydrophobicContact CE1-CD1 3.46Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.46Å; Y124-L128 HydrophobicContact CE1-CG 4.04Å; Y124-L128 HydrophobicContact CE2-CD1 4.5Å; Y124-L128 HydrophobicContact CE2-CD2 4.4Å; Y124-L128 HydrophobicContact CE2-CG 4.19Å; Y124-L128 WeakPolarHBondContact O-CG 3.08Å; Y124-L128 PolarHBondContact O-N 2.84Å; Y124-E204 VanDerWaalsContact CD2-OE1 3.23Å; Y124-E204 WeakPolarHBondContact CD2-OE1 3.44Å; Y124-E204 WeakPolarHBondContact CE2-OE1 3.47Å; Y124-F355 HydrophobicContact CD1-CD2 4.09Å; Y124-F355 AromaticContact CD1-CE2 3.47Å; Y124-F355 HydrophobicContact CD1-CE2 3.47Å; Y124-F355 VanDerWaalsContact CD1-CE2 3.47Å; Y124-F355 HydrophobicContact CD1-CZ 4.29Å; Y124-F355 HydrophobicContact CD2-CE2 4.25Å; Y124-F355 HydrophobicContact CE1-CD2 4.46Å; Y124-F355 HydrophobicContact CE1-CE2 4.08Å; Y124-F355 AromaticContact CG-CE2 3.57Å; Y124-F355 HydrophobicContact CG-CE2 3.57Å; Y124-F355 HydrophobicContact CG-CZ 4.05Å; Y124-R357 HydrophobicContact CD2-CG 4.34Å; Y124-R357 HydrophobicContact CE2-CB 4.24Å; Y124-R357 HydrophobicContact CE2-CG 3.87Å; Y124-S358 PolarHBondContact OH-N 3.27Å; Y124-S358 PolarHBondContact OH-O 2.72Å
125	Q	97.4	Very high	95.3	Very high	5 Å²	5	22.3 Å²	22.3	2%	0.023	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-38	174.6	-67.9	-65.7	-42.7	0	0	111.9	L36 F70 Y121 T122 Q129	L36-Q125 HydrophobicContact CD1-CB 4.36Å; F70-Q125 HydrophobicContact CE1-CB 3.72Å; F70-Q125 HydrophobicContact CZ-CB 3.75Å; Y121-Q125 HydrophobicContact CD1-CG 4.26Å; Y121-Q125 HydrophobicContact CE1-CG 4.06Å; Y121-Q125 VanDerWaalsContact CZ-NE2 3.31Å; Y121-Q125 VanDerWaalsContact O-CG 3.32Å; Y121-Q125 WeakPolarHBondContact O-CG 3.49Å; Y121-Q125 PolarHBondContact O-N 3.23Å; Y121-Q125 PolarHBondContact OH-NE2 3.45Å; T122-Q125 PolarHBondContact O-N 3.09Å; Q125-Q129 PolarHBondContact O-N 2.95Å
126	Y	97.9	Very high	95.1	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-43.8	171.7	-90.4	-112.7	0	0	0	112.2	Y69 F70 V107 F109 F110 V111 L117 T122 R123 Y124 L128 Q129 I130	Y69-Y126 WeakPolarHBondContact CB-OH 3.27Å; Y69-Y126 WeakPolarHBondContact CD1-OH 3.38Å; Y69-Y126 HydrophobicContact CG-CE2 4.32Å; F70-Y126 HydrophobicContact CE1-CD2 4.39Å; F70-Y126 HydrophobicContact CE1-CE2 4.44Å; F70-Y126 HydrophobicContact CE2-CE2 4.3Å; F70-Y126 AromaticContact CZ-CD2 3.91Å; F70-Y126 HydrophobicContact CZ-CD2 3.91Å; F70-Y126 AromaticContact CZ-CE2 3.86Å; F70-Y126 HydrophobicContact CZ-CE2 3.86Å; V107-Y126 HydrophobicContact CG1-CD1 4.28Å; V107-Y126 HydrophobicContact CG1-CE1 3.69Å; V107-Y126 HydrophobicContact CG1-CE2 4.11Å; V107-Y126 HydrophobicContact CG2-CD1 4.33Å; V107-Y126 HydrophobicContact CG2-CD2 3.96Å; V107-Y126 HydrophobicContact CG2-CE1 4.46Å; V107-Y126 HydrophobicContact CG2-CE2 4.12Å; V107-Y126 HydrophobicContact CG2-CG 4.09Å; F109-Y126 PolarHBondContact O-OH 2.93Å; F110-Y126 HydrophobicContact CD1-CE1 4.37Å; V111-Y126 HydrophobicContact CG2-CE1 4.09Å; L117-Y126 HydrophobicContact CD1-CD1 3.91Å; L117-Y126 HydrophobicContact CD1-CD2 3.56Å; L117-Y126 HydrophobicContact CD1-CE1 4.1Å; L117-Y126 HydrophobicContact CD1-CE2 3.75Å; L117-Y126 HydrophobicContact CD1-CG 3.62Å; L117-Y126 HydrophobicContact CD2-CD2 4.42Å; L117-Y126 HydrophobicContact CD2-CE2 3.77Å; L117-Y126 HydrophobicContact CG-CE2 4.43Å; T122-Y126 HydrophobicContact CG2-CD2 4.21Å; T122-Y126 HydrophobicContact CG2-CE2 4.1Å; T122-Y126 WeakPolarHBondContact O-CD2 3.32Å; T122-Y126 PolarHBondContact O-N 3.42Å; R123-Y126 WeakPolarHBondContact O-CB 3.24Å; R123-Y126 PolarHBondContact O-N 2.89Å; Y124-Y126 VanDerWaalsContact C-N 3.33Å; Y124-Y126 PolarHBondContact O-N 3.15Å; Y126-L128 PolarHBondContact O-N 3.45Å; Y126-Q129 WeakPolarHBondContact O-CB 3.22Å; Y126-Q129 PolarHBondContact O-N 3.19Å; Y126-I130 WeakPolarHBondContact O-CD1 3.39Å; Y126-I130 VanDerWaalsContact O-CG1 3.27Å; Y126-I130 WeakPolarHBondContact O-CG1 3.46Å; Y126-I130 PolarHBondContact O-N 3.13Å
127	F	97.8	Very high	94.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-48.4	176.2	159.2	-101.1	0	0	0	111	R123 Y124 Q129 I130 K131 A153 E204 Y207 L208	R123-F127 PolarHBondContact O-N 2.95Å; Y124-F127 AromaticContact CD2-CD1 3.82Å; Y124-F127 HydrophobicContact CD2-CD1 3.82Å; Y124-F127 HydrophobicContact CD2-CE1 4.41Å; Y124-F127 AromaticContact CE2-CD1 3.72Å; Y124-F127 HydrophobicContact CE2-CD1 3.72Å; Y124-F127 AromaticContact CE2-CE1 3.92Å; Y124-F127 HydrophobicContact CE2-CE1 3.92Å; Y124-F127 WeakPolarHBondContact O-CB 3.43Å; Y124-F127 PolarHBondContact O-N 3.34Å; F127-Q129 PolarHBondContact O-N 3.26Å; F127-I130 PolarHBondContact O-N 2.76Å; F127-K131 HydrophobicContact CE1-CD 4.47Å; F127-K131 HydrophobicContact CE2-CD 4.48Å; F127-K131 HydrophobicContact CZ-CD 4.01Å; F127-K131 VanDerWaalsContact O-CB 3.27Å; F127-K131 WeakPolarHBondContact O-CB 3.39Å; F127-K131 PolarHBondContact O-N 3.41Å; F127-A153 HydrophobicContact CE2-CB 3.89Å; F127-A153 HydrophobicContact CZ-CB 3.84Å; F127-E204 HydrophobicContact CB-CB 4.47Å; F127-E204 HydrophobicContact CB-CG 4.29Å; F127-E204 HydrophobicContact CD1-CG 3.99Å; F127-E204 HydrophobicContact CD2-CG 4.06Å; F127-E204 HydrophobicContact CE1-CG 4.3Å; F127-E204 HydrophobicContact CE2-CG 4.36Å; F127-E204 HydrophobicContact CG-CB 4.46Å; F127-E204 HydrophobicContact CG-CG 3.86Å; F127-E204 HydrophobicContact CZ-CG 4.47Å; F127-Y207 AromaticContact CD2-CD1 3.71Å; F127-Y207 HydrophobicContact CD2-CD1 3.71Å; F127-Y207 AromaticContact CD2-CD2 3.87Å; F127-Y207 HydrophobicContact CD2-CD2 3.87Å; F127-Y207 HydrophobicContact CD2-CE1 4.09Å; F127-Y207 HydrophobicContact CD2-CE2 4.24Å; F127-Y207 AromaticContact CD2-CG 3.62Å; F127-Y207 HydrophobicContact CD2-CG 3.62Å; F127-Y207 HydrophobicContact CE2-CD1 4.28Å; F127-Y207 AromaticContact CE2-CD2 3.6Å; F127-Y207 HydrophobicContact CE2-CD2 3.6Å; F127-Y207 AromaticContact CE2-CE2 3.86Å; F127-Y207 HydrophobicContact CE2-CE2 3.86Å; F127-Y207 AromaticContact CE2-CG 3.86Å; F127-Y207 HydrophobicContact CE2-CG 3.86Å; F127-L208 HydrophobicContact CB-CD2 4.4Å
128	L	96.6	Very high	94.5	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-59.2	-44.6	175.6	-73.8	177.4	0	0	0	112.7	L36 D37 Y124 Y126 I130 K131 Q132	L36-L128 HydrophobicContact CB-CB 3.93Å; L36-L128 HydrophobicContact CB-CD1 4.35Å; D37-L128 HydrophobicContact CB-CD1 4.25Å; Y124-L128 HydrophobicContact CD1-CD1 4.02Å; Y124-L128 HydrophobicContact CE1-CD1 3.46Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.46Å; Y124-L128 HydrophobicContact CE1-CG 4.04Å; Y124-L128 HydrophobicContact CE2-CD1 4.5Å; Y124-L128 HydrophobicContact CE2-CD2 4.4Å; Y124-L128 HydrophobicContact CE2-CG 4.19Å; Y124-L128 WeakPolarHBondContact O-CG 3.08Å; Y124-L128 PolarHBondContact O-N 2.84Å; Y126-L128 PolarHBondContact O-N 3.45Å; L128-I130 PolarHBondContact O-N 2.82Å; L128-K131 PolarHBondContact O-N 2.86Å; L128-Q132 WeakPolarHBondContact O-CB 2.99Å; L128-Q132 PolarHBondContact O-N 2.92Å
129	Q	96.3	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58	-47.4	177	177.3	67.1	94.8	0	0	112.3	L36 R106 V107 F110 Q125 Y126 F127 Q132 D133	L36-Q129 HydrophobicContact CD1-CB 4.17Å; L36-Q129 HydrophobicContact CD2-CB 4.07Å; R106-Q129 VanDerWaalsContact CA-OE1 3.25Å; R106-Q129 VanDerWaalsContact CG-OE1 3.27Å; R106-Q129 VanDerWaalsContact CZ-NE2 3.31Å; R106-Q129 VanDerWaalsContact NH1-NE2 3.11Å; V107-Q129 HydrophobicContact CB-CG 4Å; V107-Q129 HydrophobicContact CG2-CB 3.8Å; V107-Q129 HydrophobicContact CG2-CG 3.8Å; F110-Q129 HydrophobicContact CE1-CG 4.16Å; F110-Q129 HydrophobicContact CZ-CG 3.84Å; Q125-Q129 PolarHBondContact O-N 2.95Å; Y126-Q129 WeakPolarHBondContact O-CB 3.22Å; Y126-Q129 PolarHBondContact O-N 3.19Å; F127-Q129 PolarHBondContact O-N 3.26Å; Q129-Q132 PolarHBondContact O-N 3.07Å; Q129-D133 PolarHBondContact NE2-OD1 2.92Å; Q129-D133 PolarHBondContact NE2-OD2 2.96Å; Q129-D133 VanDerWaalsContact NE2-OD2 3.11Å; Q129-D133 WeakPolarHBondContact O-CB 3.21Å; Q129-D133 PolarHBondContact O-N 3.4Å
130	I	96.9	Very high	94.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-74	-39.6	-175.2	-63.7	159.9	0	0	0	110.2	F110 Y126 F127 L128 Q132 D133 I134 L139 Y207 L208 A211 Y217	F110-I130 HydrophobicContact CE1-CG1 4.18Å; Y126-I130 WeakPolarHBondContact O-CD1 3.39Å; Y126-I130 VanDerWaalsContact O-CG1 3.27Å; Y126-I130 WeakPolarHBondContact O-CG1 3.46Å; Y126-I130 PolarHBondContact O-N 3.13Å; F127-I130 PolarHBondContact O-N 2.76Å; L128-I130 PolarHBondContact O-N 2.82Å; I130-Q132 VanDerWaalsContact C-N 3.35Å; I130-Q132 PolarHBondContact O-N 3.33Å; I130-D133 PolarHBondContact O-N 2.68Å; I130-I134 HydrophobicContact CG2-CD1 3.95Å; I130-I134 HydrophobicContact CG2-CG1 4.43Å; I130-I134 WeakPolarHBondContact O-CB 3.43Å; I130-I134 WeakPolarHBondContact O-CG1 3.45Å; I130-I134 PolarHBondContact O-N 3.09Å; I130-L139 HydrophobicContact CG2-CD2 4.01Å; I130-Y207 HydrophobicContact CB-CE1 4.17Å; I130-Y207 HydrophobicContact CG2-CE1 3.74Å; I130-L208 HydrophobicContact CD1-CD2 3.49Å; I130-L208 VanDerWaalsContact CD1-CD2 3.49Å; I130-A211 HydrophobicContact CG2-CB 3.66Å; I130-Y217 HydrophobicContact CD1-CE2 3.79Å; I130-Y217 HydrophobicContact CG1-CE2 4.46Å
131	K	94.9	Very high	94.1	Very high	21 Å²	21	24.9 Å²	24.9	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-45.4	172.4	-172.7	176.1	64.1	163	0	111.3	F127 L128 L135 A153 E157 Y207 S360	F127-K131 HydrophobicContact CE1-CD 4.47Å; F127-K131 HydrophobicContact CE2-CD 4.48Å; F127-K131 HydrophobicContact CZ-CD 4.01Å; F127-K131 VanDerWaalsContact O-CB 3.27Å; F127-K131 WeakPolarHBondContact O-CB 3.39Å; F127-K131 PolarHBondContact O-N 3.41Å; L128-K131 PolarHBondContact O-N 2.86Å; K131-L135 WeakPolarHBondContact O-CB 3.28Å; K131-L135 PolarHBondContact O-N 3.4Å; K131-A153 HydrophobicContact CD-CB 4.26Å; K131-E157 IonicContact NZ-OE1 3.7Å; K131-E157 PolarHBondContact NZ-OE1 2.67Å; K131-E157 IonicContact NZ-OE2 2.83Å; K131-Y207 WeakPolarHBondContact CA-OH 3.42Å; K131-S360 PolarHBondContact NZ-OG 2.9Å
132	Q	92.9	Very high	93.9	Very high	27 Å²	27	27.5 Å²	27.5	13%	0.126	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-42.4	175.2	-170.6	-172.4	77.5	0	0	112	N38 L128 Q129 I130 L135 T136	N38-Q132 PolarHBondContact OD1-NE2 2.83Å; L128-Q132 WeakPolarHBondContact O-CB 2.99Å; L128-Q132 PolarHBondContact O-N 2.92Å; Q129-Q132 PolarHBondContact O-N 3.07Å; I130-Q132 VanDerWaalsContact C-N 3.35Å; I130-Q132 PolarHBondContact O-N 3.33Å; Q132-L135 PolarHBondContact O-N 3.18Å; Q132-T136 HydrophobicContact CG-CG2 4.44Å; Q132-T136 WeakPolarHBondContact O-CB 3.49Å; Q132-T136 VanDerWaalsContact O-CG2 3.31Å; Q132-T136 WeakPolarHBondContact O-CG2 3.49Å; Q132-T136 PolarHBondContact O-N 3.16Å; Q132-T136 PolarHBondContact O-OG1 3.3Å
133	D	93.2	Very high	93.6	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.064	17%	0.174	C	C	.	.	H	α-helix	trans	-72.8	-30.7	-177.7	-73.6	-17.5	0	0	0	113	R106 Q129 I130 T136 G137 R138 L139	R106-D133 IonicContact CZ-OD1 3.63Å; R106-D133 VanDerWaalsContact CZ-OD1 3.23Å; R106-D133 VanDerWaalsContact NH1-CG 3.32Å; R106-D133 IonicContact NH1-OD1 3.95Å; R106-D133 PolarHBondContact NH1-OD1 3.47Å; R106-D133 IonicContact NH1-OD2 2.67Å; R106-D133 PolarHBondContact NH1-OD2 2.76Å; R106-D133 IonicContact NH2-OD1 3.19Å; R106-D133 PolarHBondContact NH2-OD1 2.77Å; Q129-D133 PolarHBondContact NE2-OD1 2.92Å; Q129-D133 PolarHBondContact NE2-OD2 2.96Å; Q129-D133 VanDerWaalsContact NE2-OD2 3.11Å; Q129-D133 WeakPolarHBondContact O-CB 3.21Å; Q129-D133 PolarHBondContact O-N 3.4Å; I130-D133 PolarHBondContact O-N 2.68Å; D133-T136 WeakPolarHBondContact CA-OG1 3.43Å; D133-T136 PolarHBondContact O-OG1 3.26Å; D133-G137 PolarHBondContact O-N 3.09Å; D133-R138 HydrophobicContact CB-CB 4.16Å; D133-R138 HydrophobicContact CB-CG 4.5Å; D133-R138 WeakPolarHBondContact O-CA 3.09Å; D133-R138 PolarHBondContact O-N 3.12Å; D133-R138 WeakPolarHBondContact OD1-CD 3.25Å; D133-L139 HydrophobicContact CB-CB 4.11Å; D133-L139 PolarHBondContact O-N 3.4Å
134	I	94.6	Very high	93.4	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-70.2	-50.6	169.8	-69.7	175.6	0	0	0	110.4	I130 T136 G137 L139 C141 L149 I177 P178 L214	I130-I134 HydrophobicContact CG2-CD1 3.95Å; I130-I134 HydrophobicContact CG2-CG1 4.43Å; I130-I134 WeakPolarHBondContact O-CB 3.43Å; I130-I134 WeakPolarHBondContact O-CG1 3.45Å; I130-I134 PolarHBondContact O-N 3.09Å; I134-T136 PolarHBondContact O-N 3.05Å; I134-G137 PolarHBondContact O-N 3.01Å; I134-L139 HydrophobicContact CD1-CD2 4.32Å; I134-L139 HydrophobicContact CG1-CB 4.04Å; I134-L139 HydrophobicContact CG1-CD2 3.96Å; I134-L139 HydrophobicContact CG1-CG 3.97Å; I134-C141 HydrophobicContact CD1-CB 4.37Å; I134-C141 HydrophobicContact CG1-CB 4.4Å; I134-C141 HydrophobicContact CG2-CB 4.04Å; I134-L149 HydrophobicContact CD1-CD1 3.62Å; I134-I177 HydrophobicContact CG2-CG2 3.85Å; I134-P178 WeakPolarHBondContact O-CD 3.3Å; I134-L214 HydrophobicContact CD1-CD1 3.87Å
135	L	91.6	Very high	93.2	Very high	68 Å²	68	36.9 Å²	36.9	36%	0.356	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-33.4	179.6	177.1	57.8	0	0	0	113.2	K131 Q132 S175 P178	K131-L135 WeakPolarHBondContact O-CB 3.28Å; K131-L135 PolarHBondContact O-N 3.4Å; Q132-L135 PolarHBondContact O-N 3.18Å; L135-S175 WeakPolarHBondContact CD1-O 3.3Å; L135-P178 WeakPolarHBondContact O-CD 3.38Å; L135-P178 WeakPolarHBondContact O-CG 3.26Å
136	T	88.7	Confident	93.1	Very high	76 Å²	76	36.8 Å²	36.8	47%	0.466	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.4	176.4	55.1	0	0	0	0	113.9	Q132 D133 I134 R138	Q132-T136 HydrophobicContact CG-CG2 4.44Å; Q132-T136 WeakPolarHBondContact O-CB 3.49Å; Q132-T136 VanDerWaalsContact O-CG2 3.31Å; Q132-T136 WeakPolarHBondContact O-CG2 3.49Å; Q132-T136 PolarHBondContact O-N 3.16Å; Q132-T136 PolarHBondContact O-OG1 3.3Å; D133-T136 WeakPolarHBondContact CA-OG1 3.43Å; D133-T136 PolarHBondContact O-OG1 3.26Å; I134-T136 PolarHBondContact O-N 3.05Å; T136-R138 PolarHBondContact O-N 3.25Å
137	G	88.7	Confident	93	Very high	27 Å²	27	36.9 Å²	36.9	28%	0.278	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	11.7	-177.2	0	0	0	0	0	114.6	D133 I134	D133-G137 PolarHBondContact O-N 3.09Å; I134-G137 PolarHBondContact O-N 3.01Å
138	R	87.4	Confident	93	Very high	96 Å²	96	39.3 Å²	39.3	36%	0.362	23%	0.226	S	C	.	.	S	Bend	trans	-70.4	-34.7	173.4	-178.6	173.8	-179.6	149.8	6.6	111.5	D133 T136	D133-R138 HydrophobicContact CB-CB 4.16Å; D133-R138 HydrophobicContact CB-CG 4.5Å; D133-R138 WeakPolarHBondContact O-CA 3.09Å; D133-R138 PolarHBondContact O-N 3.12Å; D133-R138 WeakPolarHBondContact OD1-CD 3.25Å; T136-R138 PolarHBondContact O-N 3.25Å
139	L	92.3	Very high	93	Very high	13 Å²	13	39 Å²	39	7%	0.068	23%	0.225	C	C	.	.	S	Bend	trans	-110.7	98.3	169.8	178.4	53.6	0	0	0	108.9	I130 D133 I134 C141 L214 L216	I130-L139 HydrophobicContact CG2-CD2 4.01Å; D133-L139 HydrophobicContact CB-CB 4.11Å; D133-L139 PolarHBondContact O-N 3.4Å; I134-L139 HydrophobicContact CD1-CD2 4.32Å; I134-L139 HydrophobicContact CG1-CB 4.04Å; I134-L139 HydrophobicContact CG1-CD2 3.96Å; I134-L139 HydrophobicContact CG1-CG 3.97Å; L139-C141 PolarHBondContact O-N 3.1Å; L139-L214 HydrophobicContact CD1-CB 4.12Å; L139-L214 HydrophobicContact CD1-CD1 4.38Å; L139-L214 HydrophobicContact CD2-CD1 3.95Å; L139-L214 HydrophobicContact CG-CD1 4.01Å; L139-L216 HydrophobicContact CD1-CB 3.97Å
140	P	91.1	Very high	93	Very high	58 Å²	58	39.2 Å²	39.2	38%	0.377	23%	0.226	S	C	.	.			trans	-59.1	132.6	176.3	-23.1	34.5	0	0	0	111.3	L216	P140-L216 HydrophobicContact CG-CD1 4.07Å
141	C	91.9	Very high	93	Very high	26 Å²	26	39.1 Å²	39.1	18%	0.176	23%	0.226	C	C	.	.			trans	-131.7	127.2	-179	-165.9	0	0	0	0	109.7	I134 L139 A146 L214	I134-C141 HydrophobicContact CD1-CB 4.37Å; I134-C141 HydrophobicContact CG1-CB 4.4Å; I134-C141 HydrophobicContact CG2-CB 4.04Å; L139-C141 PolarHBondContact O-N 3.1Å; C141-A146 HydrophobicContact CB-CB 4.18Å; C141-A146 PolarHBondContact SG-N 2.88Å; C141-L214 HydrophobicContact CB-CD1 4.27Å; C141-L214 HydrophobicContact CB-CD2 4.41Å
142	P	92.4	Very high	93.1	Very high	82 Å²	82	39 Å²	39	53%	0.532	23%	0.225	S	C	.	.			trans	-61.4	142.2	173.4	-21.7	33.4	0	0	0	111.3	N144 T145 A146	P142-N144 VanDerWaalsContact C-N 3.3Å; P142-N144 PolarHBondContact O-N 3.07Å; P142-N144 VanDerWaalsContact O-N 3.13Å; P142-T145 CarbonylContact O-C 3.6Å; P142-T145 WeakPolarHBondContact O-CA 3.27Å; P142-T145 WeakPolarHBondContact O-CB 3.46Å; P142-T145 PolarHBondContact O-N 3.45Å; P142-A146 PolarHBondContact O-N 2.66Å
143	S	89.6	Confident	93.2	Very high	66 Å²	66	37.7 Å²	37.7	46%	0.462	22%	0.219	S	C	.	.	H	α-helix	trans	-52	-43	-171.3	-48.1	0	0	0	0	114	T145 A146 A147 F184	S143-T145 PolarHBondContact O-N 2.87Å; S143-A146 PolarHBondContact O-N 3.21Å; S143-A147 PolarHBondContact O-N 3.21Å; S143-F184 WeakPolarHBondContact O-CE2 3.11Å
144	N	91.6	Very high	93.3	Very high	142 Å²	142	37.2 Å²	37.2	76%	0.759	22%	0.217	S	C	*	.	H	α-helix	trans	-66.1	-41.3	-179.7	-59.3	11.9	0	0	0	111.6	P142 A146 A147 L148	P142-N144 VanDerWaalsContact C-N 3.3Å; P142-N144 PolarHBondContact O-N 3.07Å; P142-N144 VanDerWaalsContact O-N 3.13Å; N144-A146 VanDerWaalsContact C-N 3.34Å; N144-A147 PolarHBondContact O-N 2.86Å; N144-L148 PolarHBondContact O-N 3.5Å; N144-L148 VanDerWaalsContact O-N 3.17Å
145	T	94.5	Very high	93.4	Very high	41 Å²	41	37 Å²	37	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-67.9	-36.7	174.7	-46.4	0	0	0	0	111	P142 S143 L148 L149 T210 L214	P142-T145 CarbonylContact O-C 3.6Å; P142-T145 WeakPolarHBondContact O-CA 3.27Å; P142-T145 WeakPolarHBondContact O-CB 3.46Å; P142-T145 PolarHBondContact O-N 3.45Å; S143-T145 PolarHBondContact O-N 2.87Å; T145-L148 PolarHBondContact O-N 3.49Å; T145-L149 HydrophobicContact CG2-CD1 4.27Å; T145-L149 WeakPolarHBondContact O-CB 3.32Å; T145-L149 VanDerWaalsContact O-CG 3.29Å; T145-L149 WeakPolarHBondContact O-CG 3.35Å; T145-L149 PolarHBondContact O-N 2.97Å; T145-T210 HydrophobicContact CG2-CG2 3.93Å; T145-L214 HydrophobicContact CG2-CD2 4.02Å
146	A	94.8	Very high	93.5	Very high	3 Å²	3	34 Å²	34	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-37.9	177	0	0	0	0	0	112.3	C141 P142 S143 N144 L149 A150 I177 F184	C141-A146 HydrophobicContact CB-CB 4.18Å; C141-A146 PolarHBondContact SG-N 2.88Å; P142-A146 PolarHBondContact O-N 2.66Å; S143-A146 PolarHBondContact O-N 3.21Å; N144-A146 VanDerWaalsContact C-N 3.34Å; A146-L149 PolarHBondContact O-N 3.21Å; A146-A150 WeakPolarHBondContact O-CB 3.45Å; A146-A150 PolarHBondContact O-N 2.88Å; A146-I177 HydrophobicContact CB-CG2 3.65Å; A146-F184 HydrophobicContact CB-CE2 4.25Å; A146-F184 HydrophobicContact CB-CZ 3.82Å
147	A	94.9	Very high	93.6	Very high	3 Å²	3	32 Å²	32	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-41.1	173.9	0	0	0	0	0	111.6	S143 N144 A150 S151 F184 E187 I188 L191	S143-A147 PolarHBondContact O-N 3.21Å; N144-A147 PolarHBondContact O-N 2.86Å; A147-A150 PolarHBondContact O-N 3.41Å; A147-S151 WeakPolarHBondContact O-CB 3.21Å; A147-S151 PolarHBondContact O-N 2.87Å; A147-S151 PolarHBondContact O-OG 3.21Å; A147-F184 HydrophobicContact CB-CD2 4.41Å; A147-F184 HydrophobicContact CB-CE2 3.87Å; A147-F184 HydrophobicContact CB-CZ 4.17Å; A147-E187 HydrophobicContact CB-CB 4.49Å; A147-E187 HydrophobicContact CB-CG 4.22Å; A147-I188 HydrophobicContact CB-CG1 4.28Å; A147-L191 HydrophobicContact CB-CD1 4.19Å
148	L	97.4	Very high	93.7	Very high	51 Å²	51	34.2 Å²	34.2	27%	0.267	19%	0.191	S	C	.	.	H	α-helix	trans	-63	-48.2	173.4	179.7	60.7	0	0	0	111.9	N144 T145 A150 S151 F152 L191 T210	N144-L148 PolarHBondContact O-N 3.5Å; N144-L148 VanDerWaalsContact O-N 3.17Å; T145-L148 PolarHBondContact O-N 3.49Å; L148-A150 PolarHBondContact O-N 2.94Å; L148-S151 PolarHBondContact O-N 3.45Å; L148-S151 PolarHBondContact O-OG 3.18Å; L148-F152 HydrophobicContact CD1-CD2 4.4Å; L148-F152 HydrophobicContact CD1-CE2 3.74Å; L148-F152 HydrophobicContact CD1-CZ 3.93Å; L148-F152 HydrophobicContact CD2-CE2 4.41Å; L148-F152 HydrophobicContact CG-CD2 4.34Å; L148-F152 HydrophobicContact CG-CE2 3.8Å; L148-F152 HydrophobicContact CG-CZ 4.46Å; L148-F152 WeakPolarHBondContact O-CD2 3.38Å; L148-F152 PolarHBondContact O-N 2.8Å; L148-F152 VanDerWaalsContact O-N 3.16Å; L148-L191 HydrophobicContact CB-CD1 4.41Å; L148-T210 HydrophobicContact CD2-CG2 4.15Å
149	L	97.6	Very high	93.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-44.7	175.3	-72.9	174.1	0	0	0	111.7	I134 T145 A146 S151 F152 A153 Y207 T210 A211 L214	I134-L149 HydrophobicContact CD1-CD1 3.62Å; T145-L149 HydrophobicContact CG2-CD1 4.27Å; T145-L149 WeakPolarHBondContact O-CB 3.32Å; T145-L149 VanDerWaalsContact O-CG 3.29Å; T145-L149 WeakPolarHBondContact O-CG 3.35Å; T145-L149 PolarHBondContact O-N 2.97Å; A146-L149 PolarHBondContact O-N 3.21Å; L149-S151 VanDerWaalsContact C-N 3.32Å; L149-S151 PolarHBondContact O-N 2.89Å; L149-F152 PolarHBondContact O-N 3.08Å; L149-A153 PolarHBondContact O-N 3.5Å; L149-Y207 HydrophobicContact CB-CD2 4.06Å; L149-Y207 HydrophobicContact CB-CE2 3.65Å; L149-Y207 HydrophobicContact CD2-CD1 3.9Å; L149-Y207 HydrophobicContact CD2-CD2 3.87Å; L149-Y207 HydrophobicContact CD2-CE1 4.09Å; L149-Y207 HydrophobicContact CD2-CE2 4.08Å; L149-Y207 HydrophobicContact CD2-CG 3.76Å; L149-Y207 VanDerWaalsContact CD2-O 3.27Å; L149-Y207 WeakPolarHBondContact CD2-O 3.05Å; L149-Y207 HydrophobicContact CG-CE2 4.42Å; L149-Y207 WeakPolarHBondContact O-CD2 3.23Å; L149-Y207 WeakPolarHBondContact O-CE2 2.92Å; L149-T210 HydrophobicContact CD2-CG2 3.75Å; L149-T210 HydrophobicContact CG-CG2 4.03Å; L149-A211 HydrophobicContact CD1-CB 4.24Å; L149-A211 HydrophobicContact CD2-CB 4.05Å; L149-L214 HydrophobicContact CD1-CD1 4.2Å
150	A	95.8	Very high	94	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-41.9	174.2	0	0	0	0	0	112	A146 A147 L148 F152 A153 V154 F176 I188	A146-A150 WeakPolarHBondContact O-CB 3.45Å; A146-A150 PolarHBondContact O-N 2.88Å; A147-A150 PolarHBondContact O-N 3.41Å; L148-A150 PolarHBondContact O-N 2.94Å; A150-F152 VanDerWaalsContact C-N 3.32Å; A150-F152 PolarHBondContact O-N 3.28Å; A150-A153 WeakPolarHBondContact O-CB 3.12Å; A150-A153 PolarHBondContact O-N 2.98Å; A150-A153 VanDerWaalsContact O-N 3.09Å; A150-V154 WeakPolarHBondContact O-CG2 3.13Å; A150-V154 PolarHBondContact O-N 3.02Å; A150-F176 HydrophobicContact CB-CB 3.74Å; A150-F176 HydrophobicContact CB-CD1 3.64Å; A150-F176 HydrophobicContact CB-CD2 3.88Å; A150-F176 HydrophobicContact CB-CE1 4.18Å; A150-F176 HydrophobicContact CB-CE2 4.4Å; A150-F176 HydrophobicContact CB-CG 3.46Å; A150-F176 VanDerWaalsContact CB-CG 3.46Å; A150-I188 HydrophobicContact CB-CD1 3.58Å; A150-I188 HydrophobicContact CB-CG1 3.79Å; A150-I188 HydrophobicContact CB-CG2 4.32Å
151	S	96.6	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-32.8	177.7	69.5	0	0	0	0	113.7	A147 L148 L149 Q155 L191 H195	A147-S151 WeakPolarHBondContact O-CB 3.21Å; A147-S151 PolarHBondContact O-N 2.87Å; A147-S151 PolarHBondContact O-OG 3.21Å; L148-S151 PolarHBondContact O-N 3.45Å; L148-S151 PolarHBondContact O-OG 3.18Å; L149-S151 VanDerWaalsContact C-N 3.32Å; L149-S151 PolarHBondContact O-N 2.89Å; S151-Q155 WeakPolarHBondContact O-CB 3.36Å; S151-Q155 PolarHBondContact O-N 3.46Å; S151-L191 WeakPolarHBondContact OG-CB 3.49Å; S151-H195 PolarHBondContact OG-NE2 3.27Å
152	F	97.9	Very high	93.9	Very high	17 Å²	17	35.5 Å²	35.5	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-72.2	-34.9	170.6	-68.7	-49.5	0	0	0	112.8	L148 L149 A150 Q155 S156 H195 L198 N206 Y207	L148-F152 HydrophobicContact CD1-CD2 4.4Å; L148-F152 HydrophobicContact CD1-CE2 3.74Å; L148-F152 HydrophobicContact CD1-CZ 3.93Å; L148-F152 HydrophobicContact CD2-CE2 4.41Å; L148-F152 HydrophobicContact CG-CD2 4.34Å; L148-F152 HydrophobicContact CG-CE2 3.8Å; L148-F152 HydrophobicContact CG-CZ 4.46Å; L148-F152 WeakPolarHBondContact O-CD2 3.38Å; L148-F152 PolarHBondContact O-N 2.8Å; L148-F152 VanDerWaalsContact O-N 3.16Å; L149-F152 PolarHBondContact O-N 3.08Å; A150-F152 VanDerWaalsContact C-N 3.32Å; A150-F152 PolarHBondContact O-N 3.28Å; F152-Q155 PolarHBondContact O-N 3.29Å; F152-S156 PolarHBondContact O-N 3.14Å; F152-H195 AromaticContact CD1-CD2 3.84Å; F152-H195 AromaticContact CD1-CE1 3.83Å; F152-H195 AromaticContact CD1-NE2 3.65Å; F152-H195 AromaticContact CE1-CE1 3.27Å; F152-H195 WeakPolarHBondContact CE1-CE1 3.32Å; F152-H195 AromaticContact CE1-ND1 3.55Å; F152-H195 AromaticContact CE1-NE2 3.59Å; F152-H195 AromaticContact CZ-CE1 3.8Å; F152-L198 HydrophobicContact CE1-CD1 4.23Å; F152-N206 HydrophobicContact CD1-CB 4.07Å; F152-N206 HydrophobicContact CD2-CB 4.3Å; F152-N206 HydrophobicContact CE1-CB 3.77Å; F152-N206 HydrophobicContact CE2-CB 4.01Å; F152-N206 HydrophobicContact CG-CB 4.34Å; F152-N206 HydrophobicContact CZ-CB 3.74Å; F152-Y207 HydrophobicContact CB-CD2 4.14Å
153	A	95.6	Very high	93.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-41.5	173.3	0	0	0	0	0	111.5	F127 K131 L149 A150 S156 E157 F176 Y207	F127-A153 HydrophobicContact CE2-CB 3.89Å; F127-A153 HydrophobicContact CZ-CB 3.84Å; K131-A153 HydrophobicContact CD-CB 4.26Å; L149-A153 PolarHBondContact O-N 3.5Å; A150-A153 WeakPolarHBondContact O-CB 3.12Å; A150-A153 PolarHBondContact O-N 2.98Å; A150-A153 VanDerWaalsContact O-N 3.09Å; A153-S156 PolarHBondContact O-N 3.37Å; A153-E157 WeakPolarHBondContact O-CB 3.37Å; A153-E157 VanDerWaalsContact O-CG 3.32Å; A153-E157 WeakPolarHBondContact O-CG 3.41Å; A153-E157 PolarHBondContact O-N 3.01Å; A153-F176 HydrophobicContact CB-CE1 4.49Å; A153-Y207 HydrophobicContact CB-CD2 4.38Å; A153-Y207 HydrophobicContact CB-CE2 4.16Å
154	V	94.5	Very high	93	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-46.4	173.7	173.5	0	0	0	0	111.1	A150 S156 E157 L158 Y170 L171 F176 I188 H192	A150-V154 WeakPolarHBondContact O-CG2 3.13Å; A150-V154 PolarHBondContact O-N 3.02Å; V154-S156 VanDerWaalsContact C-N 3.32Å; V154-S156 PolarHBondContact O-N 3.37Å; V154-E157 PolarHBondContact O-N 2.98Å; V154-L158 HydrophobicContact CG1-CD1 3.99Å; V154-L158 HydrophobicContact CG1-CG 4.36Å; V154-L158 WeakPolarHBondContact O-CB 3.3Å; V154-L158 PolarHBondContact O-N 3.27Å; V154-Y170 HydrophobicContact CG1-CE2 4.25Å; V154-L171 HydrophobicContact CG1-CD2 4.06Å; V154-L171 HydrophobicContact CG2-CD2 3.7Å; V154-F176 HydrophobicContact CG2-CE1 3.9Å; V154-F176 HydrophobicContact CG2-CE2 4.47Å; V154-F176 HydrophobicContact CG2-CZ 3.51Å; V154-I188 HydrophobicContact CG2-CG2 3.97Å; V154-H192 HydrophobicContact CG1-CB 4.47Å
155	Q	95.8	Very high	92.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-39.9	175.4	-178.8	69.3	29.7	0	0	112.6	S151 F152 G159 D160 H192 H195 L198 A203	S151-Q155 WeakPolarHBondContact O-CB 3.36Å; S151-Q155 PolarHBondContact O-N 3.46Å; F152-Q155 PolarHBondContact O-N 3.29Å; Q155-G159 VanDerWaalsContact O-CA 3.32Å; Q155-G159 WeakPolarHBondContact O-CA 3.42Å; Q155-G159 PolarHBondContact O-N 3.02Å; Q155-G159 VanDerWaalsContact O-N 3.14Å; Q155-G159 PolarHBondContact OE1-O 2.81Å; Q155-D160 PolarHBondContact NE2-OD1 3.43Å; Q155-H192 WeakPolarHBondContact CA-NE2 3.36Å; Q155-H192 PolarHBondContact OE1-CD2 2.98Å; Q155-H192 VanDerWaalsContact OE1-CD2 3.29Å; Q155-H192 PolarHBondContact OE1-NE2 3.43Å; Q155-H195 HydrophobicContact CB-CB 4.19Å; Q155-H195 HydrophobicContact CG-CB 3.89Å; Q155-H195 PolarHBondContact NE2-O 3.46Å; Q155-L198 HydrophobicContact CG-CB 4.13Å; Q155-L198 PolarHBondContact NE2-O 2.7Å; Q155-A203 HydrophobicContact CB-CB 4.01Å; Q155-A203 HydrophobicContact CG-CB 3.81Å
156	S	94.7	Very high	92.1	Very high	7 Å²	7	38.6 Å²	38.6	5%	0.049	21%	0.206	C	C	.	.	H	α-helix	trans	-68.6	-38.5	176.3	170.6	0	0	0	0	113.1	F152 A153 V154 E204	F152-S156 PolarHBondContact O-N 3.14Å; A153-S156 PolarHBondContact O-N 3.37Å; V154-S156 VanDerWaalsContact C-N 3.32Å; V154-S156 PolarHBondContact O-N 3.37Å; S156-E204 PolarHBondContact OG-OE1 3.23Å
157	E	91.1	Very high	91.5	Very high	34 Å²	34	43.9 Å²	43.9	16%	0.159	23%	0.233	C	C	.	.	H	α-helix	trans	-92.6	-28.1	-169	-68.9	167	-148.6	0	0	113.9	K131 A153 V154 S360	K131-E157 IonicContact NZ-OE1 3.7Å; K131-E157 PolarHBondContact NZ-OE1 2.67Å; K131-E157 IonicContact NZ-OE2 2.83Å; A153-E157 WeakPolarHBondContact O-CB 3.37Å; A153-E157 VanDerWaalsContact O-CG 3.32Å; A153-E157 WeakPolarHBondContact O-CG 3.41Å; A153-E157 PolarHBondContact O-N 3.01Å; V154-E157 PolarHBondContact O-N 2.98Å; E157-S360 PolarHBondContact OE1-OG 2.68Å; E157-S360 WeakPolarHBondContact OE2-CB 3.44Å; E157-S360 PolarHBondContact OE2-N 2.73Å; E157-S360 PolarHBondContact OE2-OG 3.35Å
158	L	90.8	Very high	90.7	Very high	72 Å²	72	50.2 Å²	50.2	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-112.7	-15.1	-179.5	-54.7	-170.9	0	0	0	113.8	V154 Y170	V154-L158 HydrophobicContact CG1-CD1 3.99Å; V154-L158 HydrophobicContact CG1-CG 4.36Å; V154-L158 WeakPolarHBondContact O-CB 3.3Å; V154-L158 PolarHBondContact O-N 3.27Å; L158-Y170 HydrophobicContact CD1-CD2 4.01Å; L158-Y170 HydrophobicContact CD1-CE2 3.98Å
159	G	91.5	Very high	89.9	Confident	25 Å²	25	49.6 Å²	49.6	26%	0.258	28%	0.283	S	S	.	.			trans	84	-155.4	-172.8	0	0	0	0	0	113.1	Q155 H192	Q155-G159 VanDerWaalsContact O-CA 3.32Å; Q155-G159 WeakPolarHBondContact O-CA 3.42Å; Q155-G159 PolarHBondContact O-N 3.02Å; Q155-G159 VanDerWaalsContact O-N 3.14Å; Q155-G159 PolarHBondContact OE1-O 2.81Å; G159-H192 CovalentContact O-NE2 1.81Å; G159-H192 PolarHBondContact O-NE2 3.37Å
160	D	93.4	Very high	89.4	Confident	78 Å²	78	51.7 Å²	51.7	42%	0.417	29%	0.291	S	S	.	.	S	Bend	trans	-67.1	148.8	-179.6	-73.4	-19.3	0	0	0	112.6	Q155 D162 I196 G197	Q155-D160 PolarHBondContact NE2-OD1 3.43Å; D160-D162 PolarHBondContact O-N 3.43Å; D160-I196 HydrophobicContact CB-CG2 4.27Å; D160-I196 WeakPolarHBondContact OD1-CA 3.45Å; D160-G197 PolarHBondContact OD1-N 3.17Å; D160-G197 PolarHBondContact OD2-N 3.04Å
161	Y	91.9	Very high	89.1	Confident	46 Å²	46	51.6 Å²	51.6	18%	0.18	29%	0.291	C	S	.	.			trans	-67.6	119.4	173.1	-179.4	-89.6	0	0	0	111.8	Q163 N166 Y170 H192 Q193	Y161-Q163 HydrophobicContact CE1-CB 4.24Å; Y161-N166 WeakPolarHBondContact CA-OD1 2.93Å; Y161-N166 HydrophobicContact CD2-CB 3.69Å; Y161-N166 WeakPolarHBondContact CD2-OD1 3.43Å; Y161-N166 HydrophobicContact CE2-CB 3.34Å; Y161-N166 PolarHBondContact OH-O 3.22Å; Y161-Y170 HydrophobicContact CE2-CE1 4.1Å; Y161-H192 VanDerWaalsContact CA-CE1 3.46Å; Y161-H192 WeakPolarHBondContact CA-CE1 3.49Å; Y161-H192 AromaticContact CD2-ND1 3.69Å; Y161-H192 PolarHBondContact N-NE2 3.02Å; Y161-Q193 HydrophobicContact CD1-CG 3.45Å; Y161-Q193 VanDerWaalsContact CD1-CG 3.45Å; Y161-Q193 HydrophobicContact CD2-CG 3.99Å; Y161-Q193 HydrophobicContact CE1-CG 3.8Å; Y161-Q193 HydrophobicContact CE2-CG 4.31Å; Y161-Q193 HydrophobicContact CG-CG 3.58Å
162	D	88.8	Confident	88.5	Confident	71 Å²	71	55 Å²	55	38%	0.38	31%	0.314	S	S	.	.			trans	-112.9	130.8	170	-173.9	-78.7	0	0	0	111	D160 S164 E165 N166	D160-D162 PolarHBondContact O-N 3.43Å; D162-S164 VanDerWaalsContact C-N 3.27Å; D162-S164 PolarHBondContact O-N 3.02Å; D162-S164 WeakPolarHBondContact OD1-CA 3.47Å; D162-S164 WeakPolarHBondContact OD1-CB 3.47Å; D162-S164 PolarHBondContact OD1-N 3.08Å; D162-S164 PolarHBondContact OD1-OG 2.91Å; D162-E165 HydrophobicContact CB-CB 4.36Å; D162-E165 PolarHBondContact O-N 2.89Å; D162-E165 PolarHBondContact OD1-N 2.85Å; D162-N166 PolarHBondContact N-OD1 3.31Å; D162-N166 VanDerWaalsContact N-OD1 3.15Å; D162-N166 WeakPolarHBondContact O-CA 3.43Å; D162-N166 VanDerWaalsContact O-CB 3.23Å; D162-N166 WeakPolarHBondContact O-CB 3.38Å; D162-N166 PolarHBondContact O-N 2.79Å
163	Q	85.6	Confident	87.8	Confident	159 Å²	159	58.7 Å²	58.7	74%	0.743	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.8	-175.2	-170.7	176.3	6.3	0	0	113.8	Y161	Y161-Q163 HydrophobicContact CE1-CB 4.24Å
164	S	79.1	Confident	87.3	Confident	90 Å²	90	60.7 Å²	60.7	63%	0.629	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-34.4	178.6	73.1	0	0	0	0	112.9	D162	D162-S164 VanDerWaalsContact C-N 3.27Å; D162-S164 PolarHBondContact O-N 3.02Å; D162-S164 WeakPolarHBondContact OD1-CA 3.47Å; D162-S164 WeakPolarHBondContact OD1-CB 3.47Å; D162-S164 PolarHBondContact OD1-N 3.08Å; D162-S164 PolarHBondContact OD1-OG 2.91Å
165	E	80.8	Confident	86.9	Confident	130 Å²	130	62 Å²	62	61%	0.607	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-35.3	177.9	-59.4	-170.3	-179	0	0	112.5	D162 L167	D162-E165 HydrophobicContact CB-CB 4.36Å; D162-E165 PolarHBondContact O-N 2.89Å; D162-E165 PolarHBondContact OD1-N 2.85Å; E165-L167 PolarHBondContact O-N 3.31Å
166	N	85.2	Confident	86.6	Confident	17 Å²	17	62.6 Å²	62.6	9%	0.091	36%	0.355	C	S	.	.	S	Bend	trans	-99	61.7	-176.6	-54	155.7	0	0	0	112	Y161 D162 Y170 H192	Y161-N166 WeakPolarHBondContact CA-OD1 2.93Å; Y161-N166 HydrophobicContact CD2-CB 3.69Å; Y161-N166 WeakPolarHBondContact CD2-OD1 3.43Å; Y161-N166 HydrophobicContact CE2-CB 3.34Å; Y161-N166 PolarHBondContact OH-O 3.22Å; D162-N166 PolarHBondContact N-OD1 3.31Å; D162-N166 VanDerWaalsContact N-OD1 3.15Å; D162-N166 WeakPolarHBondContact O-CA 3.43Å; D162-N166 VanDerWaalsContact O-CB 3.23Å; D162-N166 WeakPolarHBondContact O-CB 3.38Å; D162-N166 PolarHBondContact O-N 2.79Å; N166-Y170 HydrophobicContact CB-CD1 3.89Å; N166-Y170 HydrophobicContact CB-CD2 3.9Å; N166-Y170 HydrophobicContact CB-CE1 3.95Å; N166-Y170 HydrophobicContact CB-CE2 3.93Å; N166-Y170 HydrophobicContact CB-CG 3.88Å; N166-H192 PolarHBondContact OD1-CE1 2.76Å
167	L	81.8	Confident	86.4	Confident	114 Å²	114	63.1 Å²	63.1	60%	0.597	36%	0.357	S	S	*	.			trans	-62	159.6	176.7	-60.3	178.5	0	0	0	112.5	E165 G169 Y170	E165-L167 PolarHBondContact O-N 3.31Å; L167-G169 PolarHBondContact O-N 3.24Å; L167-Y170 WeakPolarHBondContact O-CB 3.47Å; L167-Y170 WeakPolarHBondContact O-CD1 3.37Å; L167-Y170 PolarHBondContact O-N 3.17Å
168	S	78.8	Confident	86.2	Confident	137 Å²	137	64.4 Å²	64.4	96%	0.958	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	110.9	179.1	174.2	0	0	0	0	112
169	G	80.9	Confident	85.9	Confident	37 Å²	37	68.7 Å²	68.7	38%	0.381	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.8	2.4	-178	0	0	0	0	0	114.9	L167 L171 S172	L167-G169 PolarHBondContact O-N 3.24Å; G169-L171 PolarHBondContact O-N 3.42Å; G169-S172 WeakPolarHBondContact O-CB 3.39Å; G169-S172 PolarHBondContact O-N 2.83Å; G169-S172 PolarHBondContact O-OG 3.38Å
170	Y	87.4	Confident	85.6	Confident	45 Å²	45	69.6 Å²	69.6	18%	0.176	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-15.1	177.8	79.6	-74.6	0	0	0	115.2	V154 L158 Y161 N166 L167 A189 H192	V154-Y170 HydrophobicContact CG1-CE2 4.25Å; L158-Y170 HydrophobicContact CD1-CD2 4.01Å; L158-Y170 HydrophobicContact CD1-CE2 3.98Å; Y161-Y170 HydrophobicContact CE2-CE1 4.1Å; N166-Y170 HydrophobicContact CB-CD1 3.89Å; N166-Y170 HydrophobicContact CB-CD2 3.9Å; N166-Y170 HydrophobicContact CB-CE1 3.95Å; N166-Y170 HydrophobicContact CB-CE2 3.93Å; N166-Y170 HydrophobicContact CB-CG 3.88Å; L167-Y170 WeakPolarHBondContact O-CB 3.47Å; L167-Y170 WeakPolarHBondContact O-CD1 3.37Å; L167-Y170 PolarHBondContact O-N 3.17Å; Y170-A189 HydrophobicContact CE1-CB 3.83Å; Y170-H192 AromaticContact CZ-ND1 3.8Å; Y170-H192 PolarHBondContact OH-ND1 3.21Å
171	L	88.8	Confident	85.2	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.01	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	0.3	176.4	-62.1	177.6	0	0	0	114.3	V154 G169 D173 Y174 E185 I188 A189	V154-L171 HydrophobicContact CG1-CD2 4.06Å; V154-L171 HydrophobicContact CG2-CD2 3.7Å; G169-L171 PolarHBondContact O-N 3.42Å; L171-D173 PolarHBondContact O-N 2.84Å; L171-Y174 HydrophobicContact CD2-CD2 4.33Å; L171-Y174 WeakPolarHBondContact O-CB 3.29Å; L171-Y174 PolarHBondContact O-N 2.82Å; L171-E185 HydrophobicContact CB-CB 4.18Å; L171-E185 HydrophobicContact CB-CG 3.96Å; L171-I188 HydrophobicContact CD1-CB 3.79Å; L171-I188 HydrophobicContact CD1-CG2 3.51Å; L171-A189 HydrophobicContact CD1-CB 4.39Å
172	S	85.1	Confident	84.5	Confident	71 Å²	71	75.3 Å²	75.3	50%	0.497	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.4	-171	64.7	0	0	0	0	114.8	G169 Y174 E185	G169-S172 WeakPolarHBondContact O-CB 3.39Å; G169-S172 PolarHBondContact O-N 2.83Å; G169-S172 PolarHBondContact O-OG 3.38Å; S172-Y174 VanDerWaalsContact C-N 3.34Å; S172-E185 VanDerWaalsContact CA-OE2 3.29Å; S172-E185 WeakPolarHBondContact CA-OE2 3.4Å; S172-E185 PolarHBondContact N-OE2 3.12Å
173	D	82.2	Confident	84.3	Confident	95 Å²	95	76.6 Å²	76.6	51%	0.508	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.2	172.7	-83.5	-28.7	0	0	0	112.9	L171 P362 L363	L171-D173 PolarHBondContact O-N 2.84Å; D173-P362 HydrophobicContact CB-CB 4.01Å; D173-P362 HydrophobicContact CB-CG 4.41Å; D173-P362 CarbonylContact O-C 3.57Å; D173-P362 VanDerWaalsContact O-CA 3.23Å; D173-P362 WeakPolarHBondContact O-CA 3.33Å; D173-L363 PolarHBondContact O-N 2.82Å
174	Y	85	Confident	84.4	Confident	41 Å²	41	69.6 Å²	69.6	16%	0.161	39%	0.394	C	S	.	.			trans	-92.6	139.7	-171.1	-67.3	-103.5	0	0	0	112.3	L171 S172 F176 Q180	L171-Y174 HydrophobicContact CD2-CD2 4.33Å; L171-Y174 WeakPolarHBondContact O-CB 3.29Å; L171-Y174 PolarHBondContact O-N 2.82Å; S172-Y174 VanDerWaalsContact C-N 3.34Å; Y174-F176 VanDerWaalsContact CB-CE2 3.48Å; Y174-F176 HydrophobicContact CD1-CZ 4.03Å; Y174-F176 HydrophobicContact CG-CE2 4.43Å; Y174-F176 HydrophobicContact CG-CZ 4.05Å; Y174-Q180 PolarHBondContact O-NE2 3.13Å
175	S	86.8	Confident	85	Confident	30 Å²	30	67.7 Å²	67.7	21%	0.21	38%	0.375	C	S	.	.			trans	-123	125.8	170.7	-171.2	0	0	0	0	110.3	L135 I177	L135-S175 WeakPolarHBondContact CD1-O 3.3Å; S175-I177 PolarHBondContact OG-O 3.18Å
176	F	89.3	Confident	85.4	Confident	14 Å²	14	68.1 Å²	68.1	6%	0.061	38%	0.375	C	S	.	.			trans	-113.2	-19.2	-179.4	-53.8	-85.4	0	0	0	113	A150 A153 V154 Y174 F184 I188	A150-F176 HydrophobicContact CB-CB 3.74Å; A150-F176 HydrophobicContact CB-CD1 3.64Å; A150-F176 HydrophobicContact CB-CD2 3.88Å; A150-F176 HydrophobicContact CB-CE1 4.18Å; A150-F176 HydrophobicContact CB-CE2 4.4Å; A150-F176 HydrophobicContact CB-CG 3.46Å; A150-F176 VanDerWaalsContact CB-CG 3.46Å; A153-F176 HydrophobicContact CB-CE1 4.49Å; V154-F176 HydrophobicContact CG2-CE1 3.9Å; V154-F176 HydrophobicContact CG2-CE2 4.47Å; V154-F176 HydrophobicContact CG2-CZ 3.51Å; Y174-F176 VanDerWaalsContact CB-CE2 3.48Å; Y174-F176 HydrophobicContact CD1-CZ 4.03Å; Y174-F176 HydrophobicContact CG-CE2 4.43Å; Y174-F176 HydrophobicContact CG-CZ 4.05Å; F176-F184 HydrophobicContact CB-CE1 4.29Å; F176-I188 HydrophobicContact CD2-CD1 3.58Å; F176-I188 HydrophobicContact CE2-CD1 3.73Å; F176-I188 HydrophobicContact CG-CD1 4.43Å
177	I	90.6	Very high	85.7	Confident	17 Å²	17	71 Å²	71	9%	0.087	39%	0.388	C	S	.	.	S	Bend	trans	-142.1	154.9	179.3	49.9	168.8	0	0	0	111.8	I134 A146 S175 N179 Q180 F184	I134-I177 HydrophobicContact CG2-CG2 3.85Å; A146-I177 HydrophobicContact CB-CG2 3.65Å; S175-I177 PolarHBondContact OG-O 3.18Å; I177-N179 PolarHBondContact O-N 2.84Å; I177-Q180 HydrophobicContact CG1-CB 4.29Å; I177-Q180 HydrophobicContact CG1-CG 4.49Å; I177-F184 HydrophobicContact CD1-CD1 4.38Å; I177-F184 HydrophobicContact CD1-CD2 4.15Å; I177-F184 HydrophobicContact CD1-CE1 3.87Å; I177-F184 HydrophobicContact CD1-CE2 3.64Å; I177-F184 HydrophobicContact CD1-CG 4.49Å; I177-F184 HydrophobicContact CD1-CZ 3.48Å; I177-F184 VanDerWaalsContact CD1-CZ 3.48Å; I177-F184 HydrophobicContact CG1-CD1 4.44Å; I177-F184 HydrophobicContact CG1-CE1 3.82Å; I177-F184 HydrophobicContact CG1-CE2 4.48Å; I177-F184 HydrophobicContact CG1-CZ 3.85Å; I177-F184 HydrophobicContact CG2-CZ 4.49Å
178	P	87.4	Confident	86.3	Confident	61 Å²	61	65.5 Å²	65.5	40%	0.396	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	135.1	166.9	-19	29.1	0	0	0	110.8	I134 L135 Q180	I134-P178 WeakPolarHBondContact O-CD 3.3Å; L135-P178 WeakPolarHBondContact O-CD 3.38Å; L135-P178 WeakPolarHBondContact O-CG 3.26Å; P178-Q180 PolarHBondContact O-N 2.86Å
179	N	83.8	Confident	87	Confident	163 Å²	163	59.8 Å²	59.8	87%	0.872	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	47.3	175.1	-52	-32.7	0	0	0	113.7	I177	I177-N179 PolarHBondContact O-N 2.84Å
180	Q	84.2	Confident	87.6	Confident	43 Å²	43	62.9 Å²	62.9	20%	0.201	32%	0.323	C	S	.	.			trans	-45	122.3	179.3	-172.2	158.9	-67.1	0	0	113.3	Y174 I177 P178 F184 E185	Y174-Q180 PolarHBondContact O-NE2 3.13Å; I177-Q180 HydrophobicContact CG1-CB 4.29Å; I177-Q180 HydrophobicContact CG1-CG 4.49Å; P178-Q180 PolarHBondContact O-N 2.86Å; Q180-F184 HydrophobicContact CG-CB 3.95Å; Q180-F184 HydrophobicContact CG-CD1 3.58Å; Q180-F184 HydrophobicContact CG-CE1 4.37Å; Q180-F184 HydrophobicContact CG-CG 4.05Å; Q180-E185 PolarHBondContact NE2-OE1 2.68Å
181	P	85.3	Confident	88	Confident	60 Å²	60	62 Å²	62	39%	0.39	32%	0.321	S	S	.	.			trans	-65.4	152	177.4	-23.3	33.8	0	0	0	113.8	D183 F184	P181-D183 VanDerWaalsContact C-N 3.29Å; P181-D183 PolarHBondContact O-N 3.12Å; P181-F184 HydrophobicContact CB-CB 4.26Å; P181-F184 WeakPolarHBondContact O-CB 3.47Å; P181-F184 PolarHBondContact O-N 2.79Å
182	Q	78.4	Confident	88.4	Confident	184 Å²	184	61.9 Å²	61.9	86%	0.86	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.7	-171.8	-167.6	170.5	3.4	0	0	115.2
183	D	83.4	Confident	88.8	Confident	99 Å²	99	62.9 Å²	62.9	53%	0.529	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	0.4	174.7	-71.4	-62.1	0	0	0	113.6	P181 E185 K186	P181-D183 VanDerWaalsContact C-N 3.29Å; P181-D183 PolarHBondContact O-N 3.12Å; D183-E185 VanDerWaalsContact C-N 3.35Å; D183-E185 PolarHBondContact O-N 2.89Å; D183-K186 HydrophobicContact CB-CD 4.47Å; D183-K186 WeakPolarHBondContact O-CB 3.33Å; D183-K186 PolarHBondContact O-N 3.12Å; D183-K186 VanDerWaalsContact O-N 3.09Å; D183-K186 WeakPolarHBondContact OD1-CD 3.44Å; D183-K186 WeakPolarHBondContact OD1-CE 3.42Å; D183-K186 IonicContact OD1-NZ 2.72Å; D183-K186 PolarHBondContact OD1-NZ 3.09Å
184	F	89.1	Confident	89.5	Confident	12 Å²	12	64.5 Å²	64.5	5%	0.053	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-40.8	-171.4	-167.8	-109.6	0	0	0	112.8	S143 A146 A147 F176 I177 Q180 P181 K186 E187 I188	S143-F184 WeakPolarHBondContact O-CE2 3.11Å; A146-F184 HydrophobicContact CB-CE2 4.25Å; A146-F184 HydrophobicContact CB-CZ 3.82Å; A147-F184 HydrophobicContact CB-CD2 4.41Å; A147-F184 HydrophobicContact CB-CE2 3.87Å; A147-F184 HydrophobicContact CB-CZ 4.17Å; F176-F184 HydrophobicContact CB-CE1 4.29Å; I177-F184 HydrophobicContact CD1-CD1 4.38Å; I177-F184 HydrophobicContact CD1-CD2 4.15Å; I177-F184 HydrophobicContact CD1-CE1 3.87Å; I177-F184 HydrophobicContact CD1-CE2 3.64Å; I177-F184 HydrophobicContact CD1-CG 4.49Å; I177-F184 HydrophobicContact CD1-CZ 3.48Å; I177-F184 VanDerWaalsContact CD1-CZ 3.48Å; I177-F184 HydrophobicContact CG1-CD1 4.44Å; I177-F184 HydrophobicContact CG1-CE1 3.82Å; I177-F184 HydrophobicContact CG1-CE2 4.48Å; I177-F184 HydrophobicContact CG1-CZ 3.85Å; I177-F184 HydrophobicContact CG2-CZ 4.49Å; Q180-F184 HydrophobicContact CG-CB 3.95Å; Q180-F184 HydrophobicContact CG-CD1 3.58Å; Q180-F184 HydrophobicContact CG-CE1 4.37Å; Q180-F184 HydrophobicContact CG-CG 4.05Å; P181-F184 HydrophobicContact CB-CB 4.26Å; P181-F184 WeakPolarHBondContact O-CB 3.47Å; P181-F184 PolarHBondContact O-N 2.79Å; F184-K186 VanDerWaalsContact C-N 3.25Å; F184-K186 PolarHBondContact O-N 3.47Å; F184-E187 PolarHBondContact O-N 2.92Å; F184-I188 HydrophobicContact CD1-CD1 3.46Å; F184-I188 VanDerWaalsContact CD1-CD1 3.46Å; F184-I188 HydrophobicContact CD1-CG1 4.27Å; F184-I188 HydrophobicContact CE1-CD1 3.54Å; F184-I188 HydrophobicContact CE1-CG1 4.28Å; F184-I188 HydrophobicContact CG-CD1 4.38Å; F184-I188 HydrophobicContact CZ-CD1 4.47Å; F184-I188 WeakPolarHBondContact O-CG1 3.46Å; F184-I188 PolarHBondContact O-N 3.3Å
185	E	89.8	Confident	89.9	Confident	49 Å²	49	63.4 Å²	63.4	23%	0.229	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-32.4	176.4	-69.7	159.2	-137.8	0	0	113.1	L171 S172 Q180 D183 I188 A189	L171-E185 HydrophobicContact CB-CB 4.18Å; L171-E185 HydrophobicContact CB-CG 3.96Å; S172-E185 VanDerWaalsContact CA-OE2 3.29Å; S172-E185 WeakPolarHBondContact CA-OE2 3.4Å; S172-E185 PolarHBondContact N-OE2 3.12Å; Q180-E185 PolarHBondContact NE2-OE1 2.68Å; D183-E185 VanDerWaalsContact C-N 3.35Å; D183-E185 PolarHBondContact O-N 2.89Å; E185-I188 PolarHBondContact O-N 2.77Å; E185-A189 WeakPolarHBondContact O-CB 3.43Å; E185-A189 PolarHBondContact O-N 2.97Å
186	K	90.1	Very high	90.3	Very high	140 Å²	140	66.7 Å²	66.7	61%	0.609	33%	0.332	S	S	*	.	H	α-helix	trans	-69.4	-40.5	179	-59.5	174.2	-175.1	166.8	0	111.2	D183 F184 K190	D183-K186 HydrophobicContact CB-CD 4.47Å; D183-K186 WeakPolarHBondContact O-CB 3.33Å; D183-K186 PolarHBondContact O-N 3.12Å; D183-K186 VanDerWaalsContact O-N 3.09Å; D183-K186 WeakPolarHBondContact OD1-CD 3.44Å; D183-K186 WeakPolarHBondContact OD1-CE 3.42Å; D183-K186 IonicContact OD1-NZ 2.72Å; D183-K186 PolarHBondContact OD1-NZ 3.09Å; F184-K186 VanDerWaalsContact C-N 3.25Å; F184-K186 PolarHBondContact O-N 3.47Å; K186-K190 VanDerWaalsContact O-CB 3.27Å; K186-K190 WeakPolarHBondContact O-CB 3.4Å; K186-K190 PolarHBondContact O-N 3.43Å
187	E	92.4	Very high	90.5	Very high	76 Å²	76	68.8 Å²	68.8	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-71.8	-35.9	176.6	-168.2	59.9	-155.3	0	0	111.2	A147 F184 K190 L191	A147-E187 HydrophobicContact CB-CB 4.49Å; A147-E187 HydrophobicContact CB-CG 4.22Å; F184-E187 PolarHBondContact O-N 2.92Å; E187-K190 PolarHBondContact O-N 3.27Å; E187-K190 IonicContact OE1-NZ 3.18Å; E187-K190 PolarHBondContact OE1-NZ 3.3Å; E187-K190 IonicContact OE2-NZ 2.68Å; E187-K190 PolarHBondContact OE2-NZ 3.41Å; E187-L191 HydrophobicContact CG-CD1 4.15Å; E187-L191 WeakPolarHBondContact O-CB 3.4Å; E187-L191 VanDerWaalsContact O-CG 3.27Å; E187-L191 WeakPolarHBondContact O-CG 3.49Å; E187-L191 PolarHBondContact O-N 2.87Å
188	I	94.4	Very high	90.8	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-50.2	171.3	-62.8	165.8	0	0	0	110.8	A147 A150 V154 L171 F176 F184 E185 K190 L191 H192	A147-I188 HydrophobicContact CB-CG1 4.28Å; A150-I188 HydrophobicContact CB-CD1 3.58Å; A150-I188 HydrophobicContact CB-CG1 3.79Å; A150-I188 HydrophobicContact CB-CG2 4.32Å; V154-I188 HydrophobicContact CG2-CG2 3.97Å; L171-I188 HydrophobicContact CD1-CB 3.79Å; L171-I188 HydrophobicContact CD1-CG2 3.51Å; F176-I188 HydrophobicContact CD2-CD1 3.58Å; F176-I188 HydrophobicContact CE2-CD1 3.73Å; F176-I188 HydrophobicContact CG-CD1 4.43Å; F184-I188 HydrophobicContact CD1-CD1 3.46Å; F184-I188 VanDerWaalsContact CD1-CD1 3.46Å; F184-I188 HydrophobicContact CD1-CG1 4.27Å; F184-I188 HydrophobicContact CE1-CD1 3.54Å; F184-I188 HydrophobicContact CE1-CG1 4.28Å; F184-I188 HydrophobicContact CG-CD1 4.38Å; F184-I188 HydrophobicContact CZ-CD1 4.47Å; F184-I188 WeakPolarHBondContact O-CG1 3.46Å; F184-I188 PolarHBondContact O-N 3.3Å; E185-I188 PolarHBondContact O-N 2.77Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 3.27Å; I188-L191 CarbonylContact O-C 3.57Å; I188-L191 PolarHBondContact O-N 2.85Å; I188-L191 VanDerWaalsContact O-N 3.11Å; I188-H192 WeakPolarHBondContact O-CB 3.47Å; I188-H192 PolarHBondContact O-N 3.29Å
189	A	93.3	Very high	91.2	Very high	17 Å²	17	69.5 Å²	69.5	14%	0.14	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-40.9	179.8	0	0	0	0	0	112.3	Y170 L171 E185 L191 H192 Q193	Y170-A189 HydrophobicContact CE1-CB 3.83Å; L171-A189 HydrophobicContact CD1-CB 4.39Å; E185-A189 WeakPolarHBondContact O-CB 3.43Å; E185-A189 PolarHBondContact O-N 2.97Å; A189-L191 VanDerWaalsContact C-N 3.3Å; A189-L191 PolarHBondContact O-N 3.1Å; A189-H192 PolarHBondContact O-N 2.89Å; A189-Q193 WeakPolarHBondContact O-CG 3.4Å; A189-Q193 PolarHBondContact O-N 3.3Å; A189-Q193 VanDerWaalsContact O-N 3.1Å
190	K	93.8	Very high	91.7	Very high	102 Å²	102	63.9 Å²	63.9	44%	0.443	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-28.8	174.5	166.6	168.5	158.3	-91.7	0	113.7	K186 E187 I188 Q194	K186-K190 VanDerWaalsContact O-CB 3.27Å; K186-K190 WeakPolarHBondContact O-CB 3.4Å; K186-K190 PolarHBondContact O-N 3.43Å; E187-K190 PolarHBondContact O-N 3.27Å; E187-K190 IonicContact OE1-NZ 3.18Å; E187-K190 PolarHBondContact OE1-NZ 3.3Å; E187-K190 IonicContact OE2-NZ 2.68Å; E187-K190 PolarHBondContact OE2-NZ 3.41Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 3.27Å; K190-Q194 PolarHBondContact O-NE2 3.11Å
191	L	95.8	Very high	92.2	Very high	25 Å²	25	62.8 Å²	62.8	13%	0.131	33%	0.333	C	S	.	.	H	α-helix	trans	-84.7	-35.2	173.7	-70	166.4	0	0	0	111.8	A147 L148 S151 E187 I188 A189 Q193 Q194 H195	A147-L191 HydrophobicContact CB-CD1 4.19Å; L148-L191 HydrophobicContact CB-CD1 4.41Å; S151-L191 WeakPolarHBondContact OG-CB 3.49Å; E187-L191 HydrophobicContact CG-CD1 4.15Å; E187-L191 WeakPolarHBondContact O-CB 3.4Å; E187-L191 VanDerWaalsContact O-CG 3.27Å; E187-L191 WeakPolarHBondContact O-CG 3.49Å; E187-L191 PolarHBondContact O-N 2.87Å; I188-L191 CarbonylContact O-C 3.57Å; I188-L191 PolarHBondContact O-N 2.85Å; I188-L191 VanDerWaalsContact O-N 3.11Å; A189-L191 VanDerWaalsContact C-N 3.3Å; A189-L191 PolarHBondContact O-N 3.1Å; L191-Q193 VanDerWaalsContact C-N 3.29Å; L191-Q193 PolarHBondContact O-N 3.01Å; L191-Q194 WeakPolarHBondContact O-CB 3.39Å; L191-Q194 PolarHBondContact O-N 3.4Å; L191-H195 PolarHBondContact O-CD2 3.02Å; L191-H195 VanDerWaalsContact O-CD2 3.31Å; L191-H195 PolarHBondContact O-NE2 3.16Å
192	H	95.6	Very high	92.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.1	-39.9	174.6	-176.3	-144.5	0	0	0	111.7	V154 Q155 G159 Y161 N166 Y170 I188 A189 Q194 H195	V154-H192 HydrophobicContact CG1-CB 4.47Å; Q155-H192 WeakPolarHBondContact CA-NE2 3.36Å; Q155-H192 PolarHBondContact OE1-CD2 2.98Å; Q155-H192 VanDerWaalsContact OE1-CD2 3.29Å; Q155-H192 PolarHBondContact OE1-NE2 3.43Å; G159-H192 CovalentContact O-NE2 1.81Å; G159-H192 PolarHBondContact O-NE2 3.37Å; Y161-H192 VanDerWaalsContact CA-CE1 3.46Å; Y161-H192 WeakPolarHBondContact CA-CE1 3.49Å; Y161-H192 AromaticContact CD2-ND1 3.69Å; Y161-H192 PolarHBondContact N-NE2 3.02Å; N166-H192 PolarHBondContact OD1-CE1 2.76Å; Y170-H192 AromaticContact CZ-ND1 3.8Å; Y170-H192 PolarHBondContact OH-ND1 3.21Å; I188-H192 WeakPolarHBondContact O-CB 3.47Å; I188-H192 PolarHBondContact O-N 3.29Å; A189-H192 PolarHBondContact O-N 2.89Å; H192-Q194 PolarHBondContact O-N 2.79Å; H192-H195 PolarHBondContact O-N 3.25Å
193	Q	94.4	Very high	93.7	Very high	92 Å²	92	55.7 Å²	55.7	43%	0.43	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.5	170.4	-74.6	167.5	12	0	0	115.2	Y161 A189 L191	Y161-Q193 HydrophobicContact CD1-CG 3.45Å; Y161-Q193 VanDerWaalsContact CD1-CG 3.45Å; Y161-Q193 HydrophobicContact CD2-CG 3.99Å; Y161-Q193 HydrophobicContact CE1-CG 3.8Å; Y161-Q193 HydrophobicContact CE2-CG 4.31Å; Y161-Q193 HydrophobicContact CG-CG 3.58Å; A189-Q193 WeakPolarHBondContact O-CG 3.4Å; A189-Q193 PolarHBondContact O-N 3.3Å; A189-Q193 VanDerWaalsContact O-N 3.1Å; L191-Q193 VanDerWaalsContact C-N 3.29Å; L191-Q193 PolarHBondContact O-N 3.01Å
194	Q	95.8	Very high	94.3	Very high	129 Å²	129	51.1 Å²	51.1	60%	0.603	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.2	179.9	-60.2	169	47.3	0	0	112.8	K190 L191 H192	K190-Q194 PolarHBondContact O-NE2 3.11Å; L191-Q194 WeakPolarHBondContact O-CB 3.39Å; L191-Q194 PolarHBondContact O-N 3.4Å; H192-Q194 PolarHBondContact O-N 2.79Å
195	H	95.1	Very high	94.7	Very high	18 Å²	18	53.1 Å²	53.1	8%	0.083	28%	0.279	C	S	.	.			trans	-100.8	2.4	-174.6	-60.9	-30.1	0	0	0	114	S151 F152 Q155 L191 H192 G197 L198	S151-H195 PolarHBondContact OG-NE2 3.27Å; F152-H195 AromaticContact CD1-CD2 3.84Å; F152-H195 AromaticContact CD1-CE1 3.83Å; F152-H195 AromaticContact CD1-NE2 3.65Å; F152-H195 AromaticContact CE1-CE1 3.27Å; F152-H195 WeakPolarHBondContact CE1-CE1 3.32Å; F152-H195 AromaticContact CE1-ND1 3.55Å; F152-H195 AromaticContact CE1-NE2 3.59Å; F152-H195 AromaticContact CZ-CE1 3.8Å; Q155-H195 HydrophobicContact CB-CB 4.19Å; Q155-H195 HydrophobicContact CG-CB 3.89Å; Q155-H195 PolarHBondContact NE2-O 3.46Å; L191-H195 PolarHBondContact O-CD2 3.02Å; L191-H195 VanDerWaalsContact O-CD2 3.31Å; L191-H195 PolarHBondContact O-NE2 3.16Å; H192-H195 PolarHBondContact O-N 3.25Å; H195-G197 PolarHBondContact O-N 2.86Å; H195-L198 HydrophobicContact CB-CD1 4.06Å; H195-L198 VanDerWaalsContact O-CB 3.3Å; H195-L198 WeakPolarHBondContact O-CB 3.38Å; H195-L198 WeakPolarHBondContact O-CG 3.42Å; H195-L198 PolarHBondContact O-N 3.44Å
196	I	94.7	Very high	95.1	Very high	99 Å²	99	53.2 Å²	53.2	51%	0.508	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	127	-178.1	-62.6	173.2	0	0	0	110.8	D160	D160-I196 HydrophobicContact CB-CG2 4.27Å; D160-I196 WeakPolarHBondContact OD1-CA 3.45Å
197	G	93.8	Very high	95.5	Very high	59 Å²	59	46.9 Å²	46.9	61%	0.608	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-5.3	-176.3	0	0	0	0	0	115	D160 H195	D160-G197 PolarHBondContact OD1-N 3.17Å; D160-G197 PolarHBondContact OD2-N 3.04Å; H195-G197 PolarHBondContact O-N 2.86Å
198	L	96	Very high	95.8	Very high	45 Å²	45	43.3 Å²	43.3	24%	0.236	24%	0.237	C	C	.	.			trans	-77.4	125.1	170.4	-68.4	-177.1	0	0	0	110.7	F152 Q155 H195 E202	F152-L198 HydrophobicContact CE1-CD1 4.23Å; Q155-L198 HydrophobicContact CG-CB 4.13Å; Q155-L198 PolarHBondContact NE2-O 2.7Å; H195-L198 HydrophobicContact CB-CD1 4.06Å; H195-L198 VanDerWaalsContact O-CB 3.3Å; H195-L198 WeakPolarHBondContact O-CB 3.38Å; H195-L198 WeakPolarHBondContact O-CG 3.42Å; H195-L198 PolarHBondContact O-N 3.44Å; L198-E202 HydrophobicContact CD2-CB 4.25Å
199	S	95.8	Very high	95.9	Very high	47 Å²	47	45 Å²	45	33%	0.329	25%	0.246	S	C	.	.			trans	-66	157	170	68.7	0	0	0	0	111.5	A201 E202 A203	S199-A201 PolarHBondContact O-N 3.14Å; S199-A201 VanDerWaalsContact O-N 3.15Å; S199-E202 VanDerWaalsContact CB-OE2 3.25Å; S199-E202 WeakPolarHBondContact CB-OE2 3.45Å; S199-E202 PolarHBondContact N-OE2 3.39Å; S199-E202 PolarHBondContact O-N 2.91Å; S199-E202 WeakPolarHBondContact OG-CG 3.45Å; S199-E202 PolarHBondContact OG-N 2.69Å; S199-E202 PolarHBondContact OG-OE2 2.92Å; S199-A203 PolarHBondContact O-N 2.9Å
200	P	95.3	Very high	96.1	Very high	45 Å²	45	45.7 Å²	45.7	29%	0.292	25%	0.248	S	C	.	.	H	α-helix	trans	-53.8	-35.7	176.8	-31.4	38.2	0	0	0	114.3	E204	P200-E204 WeakPolarHBondContact O-CB 3.39Å; P200-E204 WeakPolarHBondContact O-CG 3.31Å; P200-E204 PolarHBondContact O-N 2.88Å
201	A	94.7	Very high	96.2	Very high	20 Å²	20	40.8 Å²	40.8	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-35.9	176.8	0	0	0	0	0	113.1	E120 S199 F205	E120-A201 VanDerWaalsContact CD-CB 3.48Å; E120-A201 HydrophobicContact CG-CB 4Å; E120-A201 WeakPolarHBondContact OE2-CB 3.29Å; S199-A201 PolarHBondContact O-N 3.14Å; S199-A201 VanDerWaalsContact O-N 3.15Å; A201-F205 VanDerWaalsContact O-CB 3.29Å; A201-F205 WeakPolarHBondContact O-CB 3.38Å; A201-F205 PolarHBondContact O-N 2.94Å
202	E	96.8	Very high	96.2	Very high	96 Å²	96	44.7 Å²	44.7	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-76.5	-39.6	176.2	-69.1	164	122.5	0	0	111.5	L198 S199 F205 N206	L198-E202 HydrophobicContact CD2-CB 4.25Å; S199-E202 VanDerWaalsContact CB-OE2 3.25Å; S199-E202 WeakPolarHBondContact CB-OE2 3.45Å; S199-E202 PolarHBondContact N-OE2 3.39Å; S199-E202 PolarHBondContact O-N 2.91Å; S199-E202 WeakPolarHBondContact OG-CG 3.45Å; S199-E202 PolarHBondContact OG-N 2.69Å; S199-E202 PolarHBondContact OG-OE2 2.92Å; E202-F205 PolarHBondContact O-N 2.98Å; E202-N206 WeakPolarHBondContact O-CB 3.4Å; E202-N206 VanDerWaalsContact O-CG 3.24Å; E202-N206 PolarHBondContact O-N 3.46Å; E202-N206 PolarHBondContact O-ND2 3.08Å
203	A	97.4	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-45	173	0	0	0	0	0	111.2	Q155 S199 N206 Y207	Q155-A203 HydrophobicContact CB-CB 4.01Å; Q155-A203 HydrophobicContact CG-CB 3.81Å; S199-A203 PolarHBondContact O-N 2.9Å; A203-N206 PolarHBondContact O-N 3.38Å; A203-Y207 WeakPolarHBondContact O-CB 3.25Å; A203-Y207 PolarHBondContact O-N 3.23Å
204	E	97.3	Very high	96	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-42.7	172.9	-75.1	159.5	-170.5	0	0	112.7	Y124 F127 S156 P200 N206 Y207 L208 R357	Y124-E204 VanDerWaalsContact CD2-OE1 3.23Å; Y124-E204 WeakPolarHBondContact CD2-OE1 3.44Å; Y124-E204 WeakPolarHBondContact CE2-OE1 3.47Å; F127-E204 HydrophobicContact CB-CB 4.47Å; F127-E204 HydrophobicContact CB-CG 4.29Å; F127-E204 HydrophobicContact CD1-CG 3.99Å; F127-E204 HydrophobicContact CD2-CG 4.06Å; F127-E204 HydrophobicContact CE1-CG 4.3Å; F127-E204 HydrophobicContact CE2-CG 4.36Å; F127-E204 HydrophobicContact CG-CB 4.46Å; F127-E204 HydrophobicContact CG-CG 3.86Å; F127-E204 HydrophobicContact CZ-CG 4.47Å; S156-E204 PolarHBondContact OG-OE1 3.23Å; P200-E204 WeakPolarHBondContact O-CB 3.39Å; P200-E204 WeakPolarHBondContact O-CG 3.31Å; P200-E204 PolarHBondContact O-N 2.88Å; E204-N206 VanDerWaalsContact C-N 3.32Å; E204-N206 PolarHBondContact O-N 3.29Å; E204-Y207 WeakPolarHBondContact O-CB 3.42Å; E204-Y207 PolarHBondContact O-N 2.99Å; E204-L208 WeakPolarHBondContact O-CG 3.23Å; E204-L208 PolarHBondContact O-N 3.03Å; E204-R357 IonicContact OE1-CZ 2.68Å; E204-R357 IonicContact OE1-NE 2.77Å; E204-R357 PolarHBondContact OE1-NE 2.99Å; E204-R357 IonicContact OE1-NH2 2.76Å; E204-R357 IonicContact OE2-CZ 2.67Å; E204-R357 IonicContact OE2-NE 3.84Å; E204-R357 IonicContact OE2-NH2 3.34Å; E204-R357 PolarHBondContact OE2-NH2 2.83Å
205	F	97.4	Very high	95.7	Very high	55 Å²	55	44.1 Å²	44.1	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-38.7	176.3	-178.1	-111	0	0	0	112	P114 N115 A201 E202 L208 N209	P114-F205 HydrophobicContact CB-CD2 4.06Å; P114-F205 HydrophobicContact CB-CE2 3.84Å; N115-F205 WeakPolarHBondContact OD1-CZ 3.37Å; A201-F205 VanDerWaalsContact O-CB 3.29Å; A201-F205 WeakPolarHBondContact O-CB 3.38Å; A201-F205 PolarHBondContact O-N 2.94Å; E202-F205 PolarHBondContact O-N 2.98Å; F205-L208 PolarHBondContact O-N 3.43Å; F205-N209 VanDerWaalsContact CD1-ND2 3.29Å; F205-N209 WeakPolarHBondContact CD1-ND2 3.44Å; F205-N209 WeakPolarHBondContact CE1-ND2 3.38Å; F205-N209 VanDerWaalsContact CZ-ND2 3.3Å; F205-N209 WeakPolarHBondContact CZ-ND2 3.49Å; F205-N209 WeakPolarHBondContact O-CB 3.29Å; F205-N209 PolarHBondContact O-N 3.2Å; F205-N209 PolarHBondContact O-ND2 3.06Å; F205-N209 VanDerWaalsContact O-ND2 3.08Å
206	N	97.8	Very high	95.5	Very high	51 Å²	51	44.4 Å²	44.4	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-67.5	-40.4	173.5	-71.6	-25.2	0	0	0	111.8	F152 E202 A203 E204 L208 N209 T210	F152-N206 HydrophobicContact CD1-CB 4.07Å; F152-N206 HydrophobicContact CD2-CB 4.3Å; F152-N206 HydrophobicContact CE1-CB 3.77Å; F152-N206 HydrophobicContact CE2-CB 4.01Å; F152-N206 HydrophobicContact CG-CB 4.34Å; F152-N206 HydrophobicContact CZ-CB 3.74Å; E202-N206 WeakPolarHBondContact O-CB 3.4Å; E202-N206 VanDerWaalsContact O-CG 3.24Å; E202-N206 PolarHBondContact O-N 3.46Å; E202-N206 PolarHBondContact O-ND2 3.08Å; A203-N206 PolarHBondContact O-N 3.38Å; E204-N206 VanDerWaalsContact C-N 3.32Å; E204-N206 PolarHBondContact O-N 3.29Å; N206-L208 PolarHBondContact O-N 3.37Å; N206-N209 PolarHBondContact O-N 3.42Å; N206-T210 PolarHBondContact O-N 3.42Å; N206-T210 PolarHBondContact O-OG1 3.26Å
207	Y	98.3	Very high	95.5	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.027	22%	0.224	C	C	.	.	H	α-helix	trans	-54.9	-49.9	170.1	-171.1	-71.7	0	0	0	111.4	F127 I130 K131 L149 F152 A153 A203 E204 N209 T210 A211	F127-Y207 AromaticContact CD2-CD1 3.71Å; F127-Y207 HydrophobicContact CD2-CD1 3.71Å; F127-Y207 AromaticContact CD2-CD2 3.87Å; F127-Y207 HydrophobicContact CD2-CD2 3.87Å; F127-Y207 HydrophobicContact CD2-CE1 4.09Å; F127-Y207 HydrophobicContact CD2-CE2 4.24Å; F127-Y207 AromaticContact CD2-CG 3.62Å; F127-Y207 HydrophobicContact CD2-CG 3.62Å; F127-Y207 HydrophobicContact CE2-CD1 4.28Å; F127-Y207 AromaticContact CE2-CD2 3.6Å; F127-Y207 HydrophobicContact CE2-CD2 3.6Å; F127-Y207 AromaticContact CE2-CE2 3.86Å; F127-Y207 HydrophobicContact CE2-CE2 3.86Å; F127-Y207 AromaticContact CE2-CG 3.86Å; F127-Y207 HydrophobicContact CE2-CG 3.86Å; I130-Y207 HydrophobicContact CB-CE1 4.17Å; I130-Y207 HydrophobicContact CG2-CE1 3.74Å; K131-Y207 WeakPolarHBondContact CA-OH 3.42Å; L149-Y207 HydrophobicContact CB-CD2 4.06Å; L149-Y207 HydrophobicContact CB-CE2 3.65Å; L149-Y207 HydrophobicContact CD2-CD1 3.9Å; L149-Y207 HydrophobicContact CD2-CD2 3.87Å; L149-Y207 HydrophobicContact CD2-CE1 4.09Å; L149-Y207 HydrophobicContact CD2-CE2 4.08Å; L149-Y207 HydrophobicContact CD2-CG 3.76Å; L149-Y207 VanDerWaalsContact CD2-O 3.27Å; L149-Y207 WeakPolarHBondContact CD2-O 3.05Å; L149-Y207 HydrophobicContact CG-CE2 4.42Å; L149-Y207 WeakPolarHBondContact O-CD2 3.23Å; L149-Y207 WeakPolarHBondContact O-CE2 2.92Å; F152-Y207 HydrophobicContact CB-CD2 4.14Å; A153-Y207 HydrophobicContact CB-CD2 4.38Å; A153-Y207 HydrophobicContact CB-CE2 4.16Å; A203-Y207 WeakPolarHBondContact O-CB 3.25Å; A203-Y207 PolarHBondContact O-N 3.23Å; E204-Y207 WeakPolarHBondContact O-CB 3.42Å; E204-Y207 PolarHBondContact O-N 2.99Å; Y207-N209 PolarHBondContact O-N 3.28Å; Y207-T210 PolarHBondContact O-N 2.83Å; Y207-A211 HydrophobicContact CD1-CB 4.36Å; Y207-A211 HydrophobicContact CE1-CB 4.32Å; Y207-A211 VanDerWaalsContact O-CB 3.28Å; Y207-A211 WeakPolarHBondContact O-CB 3.34Å; Y207-A211 PolarHBondContact O-N 3.16Å
208	L	98.1	Very high	95.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-42	177.1	-65.3	-178.4	0	0	0	112.1	P114 L117 R123 F127 I130 E204 F205 N206 T210 A211 R212	P114-L208 HydrophobicContact CB-CB 3.95Å; P114-L208 HydrophobicContact CB-CD1 4.15Å; P114-L208 HydrophobicContact CG-CB 3.65Å; L117-L208 HydrophobicContact CD1-CD1 4.5Å; R123-L208 HydrophobicContact CB-CD1 3.96Å; R123-L208 HydrophobicContact CG-CD1 4.29Å; F127-L208 HydrophobicContact CB-CD2 4.4Å; I130-L208 HydrophobicContact CD1-CD2 3.49Å; I130-L208 VanDerWaalsContact CD1-CD2 3.49Å; E204-L208 WeakPolarHBondContact O-CG 3.23Å; E204-L208 PolarHBondContact O-N 3.03Å; F205-L208 PolarHBondContact O-N 3.43Å; N206-L208 PolarHBondContact O-N 3.37Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 3.25Å; L208-A211 PolarHBondContact O-N 3.4Å; L208-R212 WeakPolarHBondContact O-CB 3.19Å; L208-R212 PolarHBondContact O-N 2.92Å
209	N	97.1	Very high	95.3	Very high	36 Å²	36	36.7 Å²	36.7	19%	0.193	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-27.9	179.4	-82.5	-42.9	0	0	0	113.9	F205 N206 Y207 R212	F205-N209 VanDerWaalsContact CD1-ND2 3.29Å; F205-N209 WeakPolarHBondContact CD1-ND2 3.44Å; F205-N209 WeakPolarHBondContact CE1-ND2 3.38Å; F205-N209 VanDerWaalsContact CZ-ND2 3.3Å; F205-N209 WeakPolarHBondContact CZ-ND2 3.49Å; F205-N209 WeakPolarHBondContact O-CB 3.29Å; F205-N209 PolarHBondContact O-N 3.2Å; F205-N209 PolarHBondContact O-ND2 3.06Å; F205-N209 VanDerWaalsContact O-ND2 3.08Å; N206-N209 PolarHBondContact O-N 3.42Å; Y207-N209 PolarHBondContact O-N 3.28Å; N209-R212 WeakPolarHBondContact O-CG 3.4Å; N209-R212 PolarHBondContact O-NE 3.07Å
210	T	97	Very high	95.1	Very high	30 Å²	30	35.5 Å²	35.5	18%	0.184	19%	0.185	C	C	.	.	H	α-helix	trans	-82	-47.1	171.2	-60	0	0	0	0	111.2	T145 L148 L149 N206 Y207 L208 R212 T213	T145-T210 HydrophobicContact CG2-CG2 3.93Å; L148-T210 HydrophobicContact CD2-CG2 4.15Å; L149-T210 HydrophobicContact CD2-CG2 3.75Å; L149-T210 HydrophobicContact CG-CG2 4.03Å; N206-T210 PolarHBondContact O-N 3.42Å; N206-T210 PolarHBondContact O-OG1 3.26Å; Y207-T210 PolarHBondContact O-N 2.83Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 3.25Å; T210-R212 VanDerWaalsContact C-N 3.29Å; T210-R212 PolarHBondContact O-N 2.75Å; T210-T213 PolarHBondContact O-N 3.12Å; T210-T213 VanDerWaalsContact O-N 3.13Å; T210-T213 PolarHBondContact O-OG1 3.26Å; T210-T213 VanDerWaalsContact O-OG1 3.05Å
211	A	96.9	Very high	94.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-28.6	-174.8	0	0	0	0	0	113.7	I130 L149 Y207 L208 T213 L214	I130-A211 HydrophobicContact CG2-CB 3.66Å; L149-A211 HydrophobicContact CD1-CB 4.24Å; L149-A211 HydrophobicContact CD2-CB 4.05Å; Y207-A211 HydrophobicContact CD1-CB 4.36Å; Y207-A211 HydrophobicContact CE1-CB 4.32Å; Y207-A211 VanDerWaalsContact O-CB 3.28Å; Y207-A211 WeakPolarHBondContact O-CB 3.34Å; Y207-A211 PolarHBondContact O-N 3.16Å; L208-A211 PolarHBondContact O-N 3.4Å; A211-T213 PolarHBondContact O-N 2.85Å; A211-T213 VanDerWaalsContact O-N 3.12Å; A211-L214 HydrophobicContact CB-CD1 4.44Å; A211-L214 WeakPolarHBondContact O-CB 3.42Å; A211-L214 WeakPolarHBondContact O-CG 3.44Å; A211-L214 PolarHBondContact O-N 3.44Å; A211-L214 VanDerWaalsContact O-N 3.11Å
212	R	94.6	Very high	94.7	Very high	107 Å²	107	34.8 Å²	34.8	40%	0.404	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-11.8	174.8	76.9	-170.4	-178	98.8	6.9	114.7	S112 L208 N209 T210 Y217	S112-R212 PolarHBondContact O-NH1 3.15Å; L208-R212 WeakPolarHBondContact O-CB 3.19Å; L208-R212 PolarHBondContact O-N 2.92Å; N209-R212 WeakPolarHBondContact O-CG 3.4Å; N209-R212 PolarHBondContact O-NE 3.07Å; T210-R212 VanDerWaalsContact C-N 3.29Å; T210-R212 PolarHBondContact O-N 2.75Å; R212-Y217 HydrophobicContact CB-CD1 4.19Å; R212-Y217 HydrophobicContact CB-CD2 4.42Å; R212-Y217 HydrophobicContact CB-CE1 3.97Å; R212-Y217 HydrophobicContact CB-CE2 4.2Å; R212-Y217 HydrophobicContact CB-CG 4.41Å
213	T	94	Very high	94.4	Very high	100 Å²	100	34.9 Å²	34.9	61%	0.613	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.4	176	78.8	0	0	0	0	113.2	T210 A211	T210-T213 PolarHBondContact O-N 3.12Å; T210-T213 VanDerWaalsContact O-N 3.13Å; T210-T213 PolarHBondContact O-OG1 3.26Å; T210-T213 VanDerWaalsContact O-OG1 3.05Å; A211-T213 PolarHBondContact O-N 2.85Å; A211-T213 VanDerWaalsContact O-N 3.12Å
214	L	93.1	Very high	94.2	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.073	17%	0.173	C	C	.	.	S	Bend	trans	-73.2	135.5	173.3	-62.7	173.8	0	0	0	109.9	I134 L139 C141 T145 L149 A211 L216 Y217	I134-L214 HydrophobicContact CD1-CD1 3.87Å; L139-L214 HydrophobicContact CD1-CB 4.12Å; L139-L214 HydrophobicContact CD1-CD1 4.38Å; L139-L214 HydrophobicContact CD2-CD1 3.95Å; L139-L214 HydrophobicContact CG-CD1 4.01Å; C141-L214 HydrophobicContact CB-CD1 4.27Å; C141-L214 HydrophobicContact CB-CD2 4.41Å; T145-L214 HydrophobicContact CG2-CD2 4.02Å; L149-L214 HydrophobicContact CD1-CD1 4.2Å; A211-L214 HydrophobicContact CB-CD1 4.44Å; A211-L214 WeakPolarHBondContact O-CB 3.42Å; A211-L214 WeakPolarHBondContact O-CG 3.44Å; A211-L214 PolarHBondContact O-N 3.44Å; A211-L214 VanDerWaalsContact O-N 3.11Å; L214-L216 PolarHBondContact O-N 3.12Å; L214-L216 VanDerWaalsContact O-N 3.11Å; L214-Y217 WeakPolarHBondContact O-CB 3.43Å; L214-Y217 PolarHBondContact O-N 2.98Å
215	E	87.7	Confident	93.7	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.439	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.6	-168.8	-169.3	-177.1	-174.5	0	0	113.9	R249	E215-R249 WeakPolarHBondContact OE1-CB 3.31Å; E215-R249 IonicContact OE1-CZ 2.7Å; E215-R249 IonicContact OE1-NE 3.58Å; E215-R249 PolarHBondContact OE1-NE 3Å; E215-R249 VanDerWaalsContact OE1-NE 3.16Å; E215-R249 IonicContact OE1-NH2 3.15Å; E215-R249 PolarHBondContact OE1-NH2 3.5Å
216	L	91.8	Very high	93	Very high	24 Å²	24	38.7 Å²	38.7	13%	0.126	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	12	-178.4	-49.5	-168.4	0	0	0	113.1	L139 P140 L214 G218 V219 F221 Y244	L139-L216 HydrophobicContact CD1-CB 3.97Å; P140-L216 HydrophobicContact CG-CD1 4.07Å; L214-L216 PolarHBondContact O-N 3.12Å; L214-L216 VanDerWaalsContact O-N 3.11Å; L216-G218 PolarHBondContact O-N 2.84Å; L216-V219 PolarHBondContact O-N 3.15Å; L216-F221 HydrophobicContact CD1-CE2 4.1Å; L216-F221 HydrophobicContact CD1-CZ 3.95Å; L216-F221 HydrophobicContact CD2-CZ 3.98Å; L216-F221 HydrophobicContact CG-CZ 4.41Å; L216-Y244 HydrophobicContact CD2-CD1 4.36Å; L216-Y244 HydrophobicContact CD2-CE1 3.42Å; L216-Y244 VanDerWaalsContact CD2-CE1 3.42Å; L216-Y244 WeakPolarHBondContact CD2-OH 3.35Å
217	Y	94.6	Very high	91.9	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.039	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	120.7	176.1	173	-93.1	0	0	0	110.8	F110 V111 I130 R212 L214 V219 M237	F110-Y217 HydrophobicContact CB-CE1 4.1Å; F110-Y217 HydrophobicContact CD1-CE2 4.01Å; V111-Y217 VanDerWaalsContact O-CE1 3.32Å; V111-Y217 WeakPolarHBondContact O-CE1 3.17Å; V111-Y217 PolarHBondContact O-OH 3.32Å; I130-Y217 HydrophobicContact CD1-CE2 3.79Å; I130-Y217 HydrophobicContact CG1-CE2 4.46Å; R212-Y217 HydrophobicContact CB-CD1 4.19Å; R212-Y217 HydrophobicContact CB-CD2 4.42Å; R212-Y217 HydrophobicContact CB-CE1 3.97Å; R212-Y217 HydrophobicContact CB-CE2 4.2Å; R212-Y217 HydrophobicContact CB-CG 4.41Å; L214-Y217 WeakPolarHBondContact O-CB 3.43Å; L214-Y217 PolarHBondContact O-N 2.98Å; Y217-V219 VanDerWaalsContact C-N 3.33Å; Y217-V219 PolarHBondContact O-N 3Å; Y217-M237 WeakPolarHBondContact O-CE 3.35Å
218	G	92.9	Very high	90.9	Very high	14 Å²	14	47.5 Å²	47.5	14%	0.144	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	20.8	175.5	0	0	0	0	0	116.2	F110 L216 M237	F110-G218 VanDerWaalsContact CB-CA 3.48Å; F110-G218 VanDerWaalsContact CG-CA 3.45Å; L216-G218 PolarHBondContact O-N 2.84Å; G218-M237 WeakPolarHBondContact O-CB 3.25Å
219	V	92.8	Very high	90	Very high	18 Å²	18	52.1 Å²	52.1	11%	0.109	26%	0.262	C	S	.	.			trans	-93.8	111.6	179	-176.3	0	0	0	0	111.1	L216 Y217 F221 V236 M237 Y244	L216-V219 PolarHBondContact O-N 3.15Å; Y217-V219 VanDerWaalsContact C-N 3.33Å; Y217-V219 PolarHBondContact O-N 3Å; V219-F221 HydrophobicContact CB-CE2 4.32Å; V219-F221 HydrophobicContact CB-CZ 4.38Å; V219-F221 HydrophobicContact CG1-CD1 4.09Å; V219-F221 HydrophobicContact CG1-CD2 4.31Å; V219-F221 HydrophobicContact CG1-CE1 3.83Å; V219-F221 HydrophobicContact CG1-CE2 4.05Å; V219-F221 HydrophobicContact CG1-CG 4.34Å; V219-F221 HydrophobicContact CG1-CZ 3.82Å; V219-V236 WeakPolarHBondContact CA-O 3.48Å; V219-M237 HydrophobicContact CG2-CB 4.3Å; V219-M237 HydrophobicContact CG2-CE 4.4Å; V219-M237 HydrophobicContact CG2-SD 4.4Å; V219-Y244 HydrophobicContact CG1-CE2 4.25Å
220	E	91.7	Very high	89.4	Confident	21 Å²	21	53.4 Å²	53.4	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.6	166.8	-170.5	173.4	155.9	0	0	109.3	P82 W84 H222 G235 V236 H304	P82-E220 HydrophobicContact CG-CG 4.14Å; W84-E220 PolarHBondContact NE1-OE1 2.94Å; W84-E220 PolarHBondContact NE1-OE2 3.02Å; E220-H222 IonicContact OE1-CE1 2.65Å; E220-H222 PolarHBondContact OE1-CE1 3.33Å; E220-H222 VanDerWaalsContact OE1-CE1 3.24Å; E220-H222 IonicContact OE1-NE2 3.45Å; E220-G235 CarbonylContact O-C 3.58Å; E220-G235 WeakPolarHBondContact O-CA 3.46Å; E220-V236 PolarHBondContact N-O 3.43Å; E220-V236 PolarHBondContact O-N 2.97Å; E220-H304 IonicContact OE2-CE1 2.69Å
221	F	90.9	Very high	89.1	Confident	46 Å²	46	58 Å²	58	20%	0.202	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.8	-177.8	-74.7	-71.5	0	0	0	113.3	L216 V219 M233 Y244	L216-F221 HydrophobicContact CD1-CE2 4.1Å; L216-F221 HydrophobicContact CD1-CZ 3.95Å; L216-F221 HydrophobicContact CD2-CZ 3.98Å; L216-F221 HydrophobicContact CG-CZ 4.41Å; V219-F221 HydrophobicContact CB-CE2 4.32Å; V219-F221 HydrophobicContact CB-CZ 4.38Å; V219-F221 HydrophobicContact CG1-CD1 4.09Å; V219-F221 HydrophobicContact CG1-CD2 4.31Å; V219-F221 HydrophobicContact CG1-CE1 3.83Å; V219-F221 HydrophobicContact CG1-CE2 4.05Å; V219-F221 HydrophobicContact CG1-CG 4.34Å; V219-F221 HydrophobicContact CG1-CZ 3.82Å; F221-M233 HydrophobicContact CD1-CB 3.82Å; F221-M233 HydrophobicContact CD1-SD 4.41Å; F221-M233 HydrophobicContact CE1-CB 4.35Å; F221-M233 HydrophobicContact CE1-CE 4.29Å; F221-Y244 HydrophobicContact CD1-CD2 4.49Å; F221-Y244 HydrophobicContact CE1-CD1 4.49Å; F221-Y244 AromaticContact CE1-CD2 3.61Å; F221-Y244 HydrophobicContact CE1-CD2 3.61Å; F221-Y244 AromaticContact CE1-CE2 3.83Å; F221-Y244 HydrophobicContact CE1-CE2 3.83Å; F221-Y244 AromaticContact CE1-CG 3.96Å; F221-Y244 HydrophobicContact CE1-CG 3.96Å; F221-Y244 HydrophobicContact CZ-CD2 4.42Å; F221-Y244 HydrophobicContact CZ-CE2 4.33Å
222	H	91.4	Very high	88.9	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.019	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.7	170.9	-53.7	-71.5	0	0	0	111.3	E220 I234 M288 L297 A300	E220-H222 IonicContact OE1-CE1 2.65Å; E220-H222 PolarHBondContact OE1-CE1 3.33Å; E220-H222 VanDerWaalsContact OE1-CE1 3.24Å; E220-H222 IonicContact OE1-NE2 3.45Å; H222-I234 PolarHBondContact N-O 3Å; H222-I234 PolarHBondContact O-N 2.86Å; H222-M288 HydrophobicContact CB-CE 4.05Å; H222-L297 HydrophobicContact CB-CB 4.24Å; H222-L297 HydrophobicContact CB-CD1 4.31Å; H222-L297 WeakPolarHBondContact CD2-CD1 3.25Å; H222-A300 WeakPolarHBondContact NE2-CB 3.26Å
223	Y	90.8	Very high	88.8	Confident	99 Å²	99	54.5 Å²	54.5	39%	0.388	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.7	-178.6	-72.6	-105.2	0	0	0	112.5	D80 M233 M288	D80-Y223 HydrophobicContact CB-CD2 3.95Å; D80-Y223 HydrophobicContact CB-CE2 3.5Å; D80-Y223 VanDerWaalsContact CB-CE2 3.5Å; D80-Y223 WeakPolarHBondContact O-CD2 3.32Å; Y223-M233 HydrophobicContact CD1-CG 4.1Å; Y223-M233 HydrophobicContact CE1-CG 4Å; Y223-M233 HydrophobicContact CE1-SD 4.01Å; Y223-M233 HydrophobicContact CE2-SD 4.37Å; Y223-M233 HydrophobicContact CG-CG 4.46Å; Y223-M288 WeakPolarHBondContact O-CE 3.19Å
224	A	91.5	Very high	88.8	Confident	5 Å²	5	49.8 Å²	49.8	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	178.9	-177.9	0	0	0	0	0	111.2	I232 I234 N287 M288	A224-I232 CarbonylContact C-O 3.48Å; A224-I232 HydrophobicContact CB-CD1 4.28Å; A224-I232 HydrophobicContact CB-CG1 4.06Å; A224-I232 PolarHBondContact N-O 2.84Å; A224-I232 WeakPolarHBondContact O-CG1 3.42Å; A224-I232 PolarHBondContact O-N 2.82Å; A224-I234 HydrophobicContact CB-CD1 3.62Å; A224-I234 HydrophobicContact CB-CG1 3.86Å; A224-N287 CarbonylContact C-O 3.59Å; A224-N287 WeakPolarHBondContact CA-O 3.46Å; A224-M288 HydrophobicContact CB-CE 4.46Å; A224-M288 HydrophobicContact CB-SD 3.51Å; A224-M288 VanDerWaalsContact CB-SD 3.51Å
225	R	87.8	Confident	88.9	Confident	96 Å²	96	49.1 Å²	49.1	36%	0.362	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.4	167.3	-60.9	-170.2	-178.5	166.1	-3	110.5	N229 N230 E231 N287	R225-N229 WeakPolarHBondContact CD-OD1 3.43Å; R225-N229 PolarHBondContact NH1-OD1 3.18Å; R225-N230 CarbonylContact C-O 3.6Å; R225-N230 WeakPolarHBondContact CA-O 3.48Å; R225-N230 VanDerWaalsContact CB-O 3.26Å; R225-N230 WeakPolarHBondContact CB-O 3.34Å; R225-E231 HydrophobicContact CG-CG 4.3Å; R225-E231 IonicContact CZ-OE1 3.16Å; R225-E231 IonicContact NE-OE1 2.85Å; R225-E231 PolarHBondContact NE-OE1 2.87Å; R225-E231 IonicContact NH2-OE1 2.68Å; R225-E231 PolarHBondContact NH2-OE1 3Å; R225-N287 HydrophobicContact CB-CB 4.28Å; R225-N287 PolarHBondContact N-O 3.01Å; R225-N287 PolarHBondContact O-N 3.49Å
226	D	82.5	Confident	89.2	Confident	36 Å²	36	44.6 Å²	44.6	19%	0.193	22%	0.224	C	C	.	.			trans	-76.6	-165.9	176.5	68.3	12.1	0	0	0	112.1	S228 N229 N230 I232 N287	D226-S228 VanDerWaalsContact OD1-CA 3.31Å; D226-S228 WeakPolarHBondContact OD1-CA 3.35Å; D226-S228 WeakPolarHBondContact OD1-CB 3.42Å; D226-S228 PolarHBondContact OD1-N 3.29Å; D226-N229 PolarHBondContact O-N 3.31Å; D226-N229 PolarHBondContact OD1-N 2.95Å; D226-N230 PolarHBondContact N-O 3.23Å; D226-N230 VanDerWaalsContact N-O 3.1Å; D226-N230 PolarHBondContact OD1-N 3.17Å; D226-N230 PolarHBondContact OD1-ND2 2.97Å; D226-N230 WeakPolarHBondContact OD2-CB 3.49Å; D226-N230 PolarHBondContact OD2-ND2 3.46Å; D226-I232 HydrophobicContact CB-CD1 4.31Å; D226-N287 PolarHBondContact O-ND2 3.14Å; D226-N287 VanDerWaalsContact O-ND2 3.16Å
227	Q	75.5	Confident	89.4	Confident	146 Å²	146	45.3 Å²	45.3	68%	0.682	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.3	177.5	-58.5	-174.6	28.7	0	0	112.1	N229 G285	Q227-N229 VanDerWaalsContact C-N 3.27Å; Q227-N229 PolarHBondContact O-N 3.3Å; Q227-G285 WeakPolarHBondContact CG-O 3.43Å
228	S	77.1	Confident	89.3	Confident	97 Å²	97	45.9 Å²	45.9	68%	0.678	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	5.7	174.2	-53.1	0	0	0	0	113.2	D226 N230	D226-S228 VanDerWaalsContact OD1-CA 3.31Å; D226-S228 WeakPolarHBondContact OD1-CA 3.35Å; D226-S228 WeakPolarHBondContact OD1-CB 3.42Å; D226-S228 PolarHBondContact OD1-N 3.29Å; S228-N230 PolarHBondContact O-N 3.4Å
229	N	79.5	Confident	89.2	Confident	97 Å²	97	47.3 Å²	47.3	52%	0.519	25%	0.247	S	C	.	.			trans	61.5	21.1	-177.1	-179.6	76.2	0	0	0	114.7	R225 D226 Q227	R225-N229 WeakPolarHBondContact CD-OD1 3.43Å; R225-N229 PolarHBondContact NH1-OD1 3.18Å; D226-N229 PolarHBondContact O-N 3.31Å; D226-N229 PolarHBondContact OD1-N 2.95Å; Q227-N229 VanDerWaalsContact C-N 3.27Å; Q227-N229 PolarHBondContact O-N 3.3Å
230	N	84.2	Confident	89.3	Confident	64 Å²	64	46.5 Å²	46.5	34%	0.342	24%	0.242	S	C	.	.			trans	-67.1	149.1	164.9	-60.2	-76.5	0	0	0	110.2	R225 D226 S228	R225-N230 CarbonylContact C-O 3.6Å; R225-N230 WeakPolarHBondContact CA-O 3.48Å; R225-N230 VanDerWaalsContact CB-O 3.26Å; R225-N230 WeakPolarHBondContact CB-O 3.34Å; D226-N230 PolarHBondContact N-O 3.23Å; D226-N230 VanDerWaalsContact N-O 3.1Å; D226-N230 PolarHBondContact OD1-N 3.17Å; D226-N230 PolarHBondContact OD1-ND2 2.97Å; D226-N230 WeakPolarHBondContact OD2-CB 3.49Å; D226-N230 PolarHBondContact OD2-ND2 3.46Å; S228-N230 PolarHBondContact O-N 3.4Å
231	E	89.9	Confident	89.5	Confident	127 Å²	127	45.5 Å²	45.5	59%	0.593	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	133.3	174.8	-51.1	-147.7	124	0	0	111.8	R225	R225-E231 HydrophobicContact CG-CG 4.3Å; R225-E231 IonicContact CZ-OE1 3.16Å; R225-E231 IonicContact NE-OE1 2.85Å; R225-E231 PolarHBondContact NE-OE1 2.87Å; R225-E231 IonicContact NH2-OE1 2.68Å; R225-E231 PolarHBondContact NH2-OE1 3Å
232	I	92.8	Very high	89.7	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.056	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	163.3	-176.5	56.7	164.3	0	0	0	110.2	A224 D226 I234 I243 Y244 K245 F286	A224-I232 CarbonylContact C-O 3.48Å; A224-I232 HydrophobicContact CB-CD1 4.28Å; A224-I232 HydrophobicContact CB-CG1 4.06Å; A224-I232 PolarHBondContact N-O 2.84Å; A224-I232 WeakPolarHBondContact O-CG1 3.42Å; A224-I232 PolarHBondContact O-N 2.82Å; D226-I232 HydrophobicContact CB-CD1 4.31Å; I232-I234 HydrophobicContact CD1-CG1 4.49Å; I232-I243 HydrophobicContact CB-CG2 4.41Å; I232-I243 HydrophobicContact CD1-CG2 4.1Å; I232-I243 HydrophobicContact CG2-CG2 4.48Å; I232-Y244 CarbonylContact C-O 3.45Å; I232-Y244 WeakPolarHBondContact CA-O 3.4Å; I232-Y244 WeakPolarHBondContact CB-O 3.42Å; I232-K245 HydrophobicContact CG2-CB 4.49Å; I232-F286 HydrophobicContact CD1-CD1 3.67Å; I232-F286 HydrophobicContact CD1-CE1 4.11Å
233	M	92.4	Very high	89.8	Confident	22 Å²	22	43.6 Å²	43.6	11%	0.108	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.6	169.7	-58.1	175.6	-62.1	0	0	109.3	F221 Y223 Y244 R247	F221-M233 HydrophobicContact CD1-CB 3.82Å; F221-M233 HydrophobicContact CD1-SD 4.41Å; F221-M233 HydrophobicContact CE1-CB 4.35Å; F221-M233 HydrophobicContact CE1-CE 4.29Å; Y223-M233 HydrophobicContact CD1-CG 4.1Å; Y223-M233 HydrophobicContact CE1-CG 4Å; Y223-M233 HydrophobicContact CE1-SD 4.01Å; Y223-M233 HydrophobicContact CE2-SD 4.37Å; Y223-M233 HydrophobicContact CG-CG 4.46Å; M233-Y244 PolarHBondContact N-O 3.3Å; M233-Y244 PolarHBondContact O-N 3.42Å; M233-R247 HydrophobicContact CE-CG 3.96Å
234	I	94.3	Very high	89.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.3	172.8	-58.2	178.4	0	0	0	106.9	H222 A224 I232 I241 L242 I243 F268 F286 M288 L297	H222-I234 PolarHBondContact N-O 3Å; H222-I234 PolarHBondContact O-N 2.86Å; A224-I234 HydrophobicContact CB-CD1 3.62Å; A224-I234 HydrophobicContact CB-CG1 3.86Å; I232-I234 HydrophobicContact CD1-CG1 4.49Å; I234-I241 HydrophobicContact CG2-CG2 3.5Å; I234-L242 CarbonylContact C-O 3.57Å; I234-L242 WeakPolarHBondContact CA-O 3.18Å; I234-I243 HydrophobicContact CG1-CD1 3.92Å; I234-I243 HydrophobicContact CG2-CD1 4.41Å; I234-F268 HydrophobicContact CD1-CD1 4.27Å; I234-F286 HydrophobicContact CD1-CB 3.89Å; I234-F286 HydrophobicContact CD1-CD1 4.38Å; I234-F286 HydrophobicContact CD1-CD2 4.28Å; I234-F286 HydrophobicContact CD1-CG 3.93Å; I234-M288 HydrophobicContact CD1-SD 4.17Å; I234-L297 HydrophobicContact CB-CD1 4.34Å; I234-L297 HydrophobicContact CB-CD2 4.31Å; I234-L297 HydrophobicContact CD1-CD2 3.7Å; I234-L297 HydrophobicContact CG2-CD1 3.72Å; I234-L297 HydrophobicContact CG2-CD2 4.15Å
235	G	94.3	Very high	89.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	143.9	172.3	0	0	0	0	0	111.3	E220 I241 L242	E220-G235 CarbonylContact O-C 3.58Å; E220-G235 WeakPolarHBondContact O-CA 3.46Å; G235-I241 CarbonylContact O-C 3.59Å; G235-I241 WeakPolarHBondContact O-CA 3.16Å; G235-L242 PolarHBondContact N-O 2.65Å; G235-L242 PolarHBondContact O-N 2.98Å
236	V	95.5	Very high	88.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.9	171.9	-176.6	0	0	0	0	108.1	V219 E220 W255 L297 C301 H304	V219-V236 WeakPolarHBondContact CA-O 3.48Å; E220-V236 PolarHBondContact N-O 3.43Å; E220-V236 PolarHBondContact O-N 2.97Å; V236-W255 HydrophobicContact CG1-CH2 3.92Å; V236-W255 HydrophobicContact CG1-CZ2 3.93Å; V236-L297 HydrophobicContact CG2-CD1 3.72Å; V236-C301 VanDerWaalsContact CG2-SG 3.56Å; V236-H304 HydrophobicContact CG1-CB 3.88Å
237	M	94.4	Very high	88.4	Confident	39 Å²	39	50.1 Å²	50.1	19%	0.192	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	179.2	177.8	82.7	-172.3	-59.6	0	0	111.6	Y217 G218 V219 G239 G240 L242 W255	Y217-M237 WeakPolarHBondContact O-CE 3.35Å; G218-M237 WeakPolarHBondContact O-CB 3.25Å; V219-M237 HydrophobicContact CG2-CB 4.3Å; V219-M237 HydrophobicContact CG2-CE 4.4Å; V219-M237 HydrophobicContact CG2-SD 4.4Å; M237-G239 VanDerWaalsContact C-N 3.27Å; M237-G239 PolarHBondContact O-N 3.07Å; M237-G240 PolarHBondContact N-O 3.37Å; M237-G240 PolarHBondContact O-N 2.97Å; M237-L242 HydrophobicContact CB-CD1 4.2Å; M237-L242 HydrophobicContact CG-CD1 3.64Å; M237-L242 HydrophobicContact SD-CD1 3.57Å; M237-L242 VanDerWaalsContact SD-CD1 3.57Å; M237-L242 HydrophobicContact SD-CD2 3.93Å; M237-L242 HydrophobicContact SD-CG 4.39Å; M237-W255 WeakPolarHBondContact O-CZ2 3.33Å; M237-W255 PolarHBondContact O-NE1 3.31Å
238	S	93.8	Very high	88.5	Confident	22 Å²	22	46.9 Å²	46.9	15%	0.154	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-35.9	178.3	52.5	0	0	0	0	114.8	W255	S238-W255 PolarHBondContact O-NE1 3.46Å
239	G	91.3	Very high	88.8	Confident	43 Å²	43	47.7 Å²	47.7	44%	0.443	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-24.5	178.8	0	0	0	0	0	116.8	M237 P254 W255	M237-G239 VanDerWaalsContact C-N 3.27Å; M237-G239 PolarHBondContact O-N 3.07Å; G239-P254 WeakPolarHBondContact O-CA 3.06Å; G239-W255 PolarHBondContact O-N 3.26Å; G239-W255 VanDerWaalsContact O-N 3.08Å
240	G	94.1	Very high	89	Confident	1 Å²	1	48 Å²	48	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	-163.1	-173.3	0	0	0	0	0	115.6	M237 F253 W255	M237-G240 PolarHBondContact N-O 3.37Å; M237-G240 PolarHBondContact O-N 2.97Å; G240-F253 WeakPolarHBondContact CA-O 3.3Å; G240-W255 VanDerWaalsContact CA-CE2 3.49Å
241	I	96.2	Very high	89	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.2	169.3	-57.8	178.1	0	0	0	108.7	I234 G235 F253 W255 I258 I261 F268 I270 C301	I234-I241 HydrophobicContact CG2-CG2 3.5Å; G235-I241 CarbonylContact O-C 3.59Å; G235-I241 WeakPolarHBondContact O-CA 3.16Å; I241-F253 PolarHBondContact N-O 2.97Å; I241-F253 PolarHBondContact O-N 3.31Å; I241-W255 HydrophobicContact CD1-CH2 4.31Å; I241-W255 HydrophobicContact CD1-CZ3 3.95Å; I241-W255 HydrophobicContact CG1-CH2 3.64Å; I241-W255 HydrophobicContact CG1-CZ3 3.6Å; I241-I258 HydrophobicContact CB-CD1 4.45Å; I241-I258 HydrophobicContact CD1-CD1 3.95Å; I241-I258 HydrophobicContact CG1-CD1 4.09Å; I241-I261 HydrophobicContact CD1-CD1 4.01Å; I241-F268 HydrophobicContact CD1-CE1 4.34Å; I241-F268 HydrophobicContact CD1-CZ 4.25Å; I241-I270 HydrophobicContact CB-CD1 4.36Å; I241-I270 HydrophobicContact CD1-CD1 3.84Å; I241-I270 HydrophobicContact CD1-CG1 4.24Å; I241-I270 HydrophobicContact CG2-CD1 3.94Å; I241-C301 HydrophobicContact CD1-CB 4.34Å; I241-C301 VanDerWaalsContact CD1-SG 3.56Å
242	L	94.4	Very high	89	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.4	-178.3	-55.6	94.6	0	0	0	109.9	I234 G235 M237 Y244 N251 T252	I234-L242 CarbonylContact C-O 3.57Å; I234-L242 WeakPolarHBondContact CA-O 3.18Å; G235-L242 PolarHBondContact N-O 2.65Å; G235-L242 PolarHBondContact O-N 2.98Å; M237-L242 HydrophobicContact CB-CD1 4.2Å; M237-L242 HydrophobicContact CG-CD1 3.64Å; M237-L242 HydrophobicContact SD-CD1 3.57Å; M237-L242 VanDerWaalsContact SD-CD1 3.57Å; M237-L242 HydrophobicContact SD-CD2 3.93Å; M237-L242 HydrophobicContact SD-CG 4.39Å; L242-Y244 HydrophobicContact CB-CD2 4.15Å; L242-Y244 HydrophobicContact CB-CE2 3.57Å; L242-Y244 HydrophobicContact CD2-CE2 4.34Å; L242-Y244 HydrophobicContact CG-CE2 4.48Å; L242-N251 WeakPolarHBondContact CA-O 3.24Å; L242-T252 HydrophobicContact CD2-CG2 4.3Å; L242-T252 HydrophobicContact CG-CG2 4.3Å
243	I	92.8	Very high	88.9	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	175.1	-52.4	-61.1	0	0	0	108.5	I232 I234 M250 N251 F253 F286	I232-I243 HydrophobicContact CB-CG2 4.41Å; I232-I243 HydrophobicContact CD1-CG2 4.1Å; I232-I243 HydrophobicContact CG2-CG2 4.48Å; I234-I243 HydrophobicContact CG1-CD1 3.92Å; I234-I243 HydrophobicContact CG2-CD1 4.41Å; I243-M250 HydrophobicContact CG2-CB 4.45Å; I243-M250 PolarHBondContact O-N 3.18Å; I243-N251 HydrophobicContact CB-CB 4.19Å; I243-N251 HydrophobicContact CG1-CB 4.21Å; I243-N251 PolarHBondContact N-O 3.07Å; I243-N251 PolarHBondContact O-N 3.04Å; I243-F253 HydrophobicContact CD1-CE2 4.13Å; I243-F253 HydrophobicContact CG1-CD2 4.35Å; I243-F253 HydrophobicContact CG1-CE2 3.58Å; I243-F253 HydrophobicContact CG1-CZ 4.38Å; I243-F286 HydrophobicContact CD1-CD1 4.47Å; I243-F286 HydrophobicContact CD1-CE1 3.75Å; I243-F286 HydrophobicContact CD1-CE2 4.43Å; I243-F286 HydrophobicContact CD1-CZ 3.72Å; I243-F286 HydrophobicContact CG1-CE1 4.34Å; I243-F286 HydrophobicContact CG1-CZ 4.28Å
244	Y	87.8	Confident	88.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.5	177.6	-68.5	-100.2	0	0	0	111.2	L216 V219 F221 I232 M233 L242 R247 V248 R249	L216-Y244 HydrophobicContact CD2-CD1 4.36Å; L216-Y244 HydrophobicContact CD2-CE1 3.42Å; L216-Y244 VanDerWaalsContact CD2-CE1 3.42Å; L216-Y244 WeakPolarHBondContact CD2-OH 3.35Å; V219-Y244 HydrophobicContact CG1-CE2 4.25Å; F221-Y244 HydrophobicContact CD1-CD2 4.49Å; F221-Y244 HydrophobicContact CE1-CD1 4.49Å; F221-Y244 AromaticContact CE1-CD2 3.61Å; F221-Y244 HydrophobicContact CE1-CD2 3.61Å; F221-Y244 AromaticContact CE1-CE2 3.83Å; F221-Y244 HydrophobicContact CE1-CE2 3.83Å; F221-Y244 AromaticContact CE1-CG 3.96Å; F221-Y244 HydrophobicContact CE1-CG 3.96Å; F221-Y244 HydrophobicContact CZ-CD2 4.42Å; F221-Y244 HydrophobicContact CZ-CE2 4.33Å; I232-Y244 CarbonylContact C-O 3.45Å; I232-Y244 WeakPolarHBondContact CA-O 3.4Å; I232-Y244 WeakPolarHBondContact CB-O 3.42Å; M233-Y244 PolarHBondContact N-O 3.3Å; M233-Y244 PolarHBondContact O-N 3.42Å; L242-Y244 HydrophobicContact CB-CD2 4.15Å; L242-Y244 HydrophobicContact CB-CE2 3.57Å; L242-Y244 HydrophobicContact CD2-CE2 4.34Å; L242-Y244 HydrophobicContact CG-CE2 4.48Å; Y244-R247 WeakPolarHBondContact CD1-O 3.4Å; Y244-V248 CarbonylContact C-O 3.59Å; Y244-V248 WeakPolarHBondContact CA-O 3.38Å; Y244-R249 HydrophobicContact CD1-CB 3.82Å; Y244-R249 HydrophobicContact CE1-CB 3.54Å; Y244-R249 HydrophobicContact CE1-CG 4.16Å
245	K	84.2	Confident	88.8	Confident	75 Å²	75	48 Å²	48	33%	0.326	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.1	170.1	-170.1	175.3	-176.2	176	0	107.4	I232 R247 V248 M250	I232-K245 HydrophobicContact CG2-CB 4.49Å; K245-R247 PolarHBondContact O-N 3.5Å; K245-R247 VanDerWaalsContact O-N 3.13Å; K245-V248 PolarHBondContact N-O 3.45Å; K245-V248 PolarHBondContact O-N 2.94Å; K245-M250 HydrophobicContact CB-CG 3.74Å; K245-M250 HydrophobicContact CB-SD 3.85Å
246	N	78.6	Confident	88.3	Confident	146 Å²	146	51.4 Å²	51.4	78%	0.781	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	35.6	-176.2	-58.1	-8	0	0	0	114.5	V248	N246-V248 PolarHBondContact O-N 3.2Å
247	R	73.3	Confident	87.8	Confident	153 Å²	153	55.6 Å²	55.6	58%	0.577	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-2.9	-170.9	-61.7	-179.6	175.4	-150.7	-2.7	116.5	M233 Y244 K245	M233-R247 HydrophobicContact CE-CG 3.96Å; Y244-R247 WeakPolarHBondContact CD1-O 3.4Å; K245-R247 PolarHBondContact O-N 3.5Å; K245-R247 VanDerWaalsContact O-N 3.13Å
248	V	76.9	Confident	87.5	Confident	78 Å²	78	54.7 Å²	54.7	47%	0.473	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.3	169.4	-176.4	0	0	0	0	109.9	Y244 K245 N246	Y244-V248 CarbonylContact C-O 3.59Å; Y244-V248 WeakPolarHBondContact CA-O 3.38Å; K245-V248 PolarHBondContact N-O 3.45Å; K245-V248 PolarHBondContact O-N 2.94Å; N246-V248 PolarHBondContact O-N 3.2Å
249	R	84.8	Confident	87.1	Confident	114 Å²	114	57.6 Å²	57.6	43%	0.43	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	113.8	-178.8	-178	173.1	49.2	-175.9	-7.8	111.7	E215 Y244	E215-R249 WeakPolarHBondContact OE1-CB 3.31Å; E215-R249 IonicContact OE1-CZ 2.7Å; E215-R249 IonicContact OE1-NE 3.58Å; E215-R249 PolarHBondContact OE1-NE 3Å; E215-R249 VanDerWaalsContact OE1-NE 3.16Å; E215-R249 IonicContact OE1-NH2 3.15Å; E215-R249 PolarHBondContact OE1-NH2 3.5Å; Y244-R249 HydrophobicContact CD1-CB 3.82Å; Y244-R249 HydrophobicContact CE1-CB 3.54Å; Y244-R249 HydrophobicContact CE1-CG 4.16Å
250	M	83.3	Confident	86.8	Confident	103 Å²	103	61.2 Å²	61.2	51%	0.507	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-44.4	179.1	-54.7	-53.5	-52.6	0	0	112.9	I243 K245	I243-M250 HydrophobicContact CG2-CB 4.45Å; I243-M250 PolarHBondContact O-N 3.18Å; K245-M250 HydrophobicContact CB-CG 3.74Å; K245-M250 HydrophobicContact CB-SD 3.85Å
251	N	83.9	Confident	86.6	Confident	82 Å²	82	62.6 Å²	62.6	44%	0.439	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.7	-174.3	-57.2	97.7	0	0	0	111.5	L242 I243 F253	L242-N251 WeakPolarHBondContact CA-O 3.24Å; I243-N251 HydrophobicContact CB-CB 4.19Å; I243-N251 HydrophobicContact CG1-CB 4.21Å; I243-N251 PolarHBondContact N-O 3.07Å; I243-N251 PolarHBondContact O-N 3.04Å; N251-F253 HydrophobicContact CB-CE1 4.28Å; N251-F253 HydrophobicContact CB-CE2 4.2Å; N251-F253 HydrophobicContact CB-CZ 3.78Å
252	T	89.8	Confident	86.1	Confident	70 Å²	70	64.6 Å²	64.6	43%	0.429	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.7	169.2	-58.2	0	0	0	0	109.2	L242 P254	L242-T252 HydrophobicContact CD2-CG2 4.3Å; L242-T252 HydrophobicContact CG-CG2 4.3Å; T252-P254 HydrophobicContact CG2-CG 4.35Å; T252-P254 WeakPolarHBondContact O-CD 3.26Å
253	F	91.7	Very high	85.8	Confident	24 Å²	24	66.6 Å²	66.6	11%	0.105	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	90.4	174.3	-53.5	-57.6	0	0	0	108.2	G240 I241 I243 N251 I258 I270 L272 L284 F286	G240-F253 WeakPolarHBondContact CA-O 3.3Å; I241-F253 PolarHBondContact N-O 2.97Å; I241-F253 PolarHBondContact O-N 3.31Å; I243-F253 HydrophobicContact CD1-CE2 4.13Å; I243-F253 HydrophobicContact CG1-CD2 4.35Å; I243-F253 HydrophobicContact CG1-CE2 3.58Å; I243-F253 HydrophobicContact CG1-CZ 4.38Å; N251-F253 HydrophobicContact CB-CE1 4.28Å; N251-F253 HydrophobicContact CB-CE2 4.2Å; N251-F253 HydrophobicContact CB-CZ 3.78Å; F253-I258 HydrophobicContact CB-CD1 4.04Å; F253-I258 HydrophobicContact CB-CG1 4.26Å; F253-I270 HydrophobicContact CD2-CD1 3.93Å; F253-I270 HydrophobicContact CE2-CD1 4.38Å; F253-L272 HydrophobicContact CB-CD2 4.41Å; F253-L272 HydrophobicContact CD1-CD1 4.06Å; F253-L272 HydrophobicContact CD1-CD2 4.1Å; F253-L272 HydrophobicContact CE1-CD1 4.15Å; F253-L272 HydrophobicContact CG-CD2 4.41Å; F253-L284 HydrophobicContact CD1-CD1 4.24Å; F253-L284 HydrophobicContact CD2-CD1 4.43Å; F253-L284 HydrophobicContact CE1-CD1 3.51Å; F253-L284 HydrophobicContact CE2-CD1 3.7Å; F253-L284 HydrophobicContact CZ-CD1 3.21Å; F253-F286 HydrophobicContact CE2-CZ 4.38Å
254	P	91	Very high	85.3	Confident	42 Å²	42	73.2 Å²	73.2	27%	0.273	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	145.2	177.7	-22.8	34.3	0	0	0	110.7	G239 T252 L256 K257	G239-P254 WeakPolarHBondContact O-CA 3.06Å; T252-P254 HydrophobicContact CG2-CG 4.35Å; T252-P254 WeakPolarHBondContact O-CD 3.26Å; P254-L256 HydrophobicContact CB-CD2 4.35Å; P254-L256 HydrophobicContact CB-CG 4.19Å; P254-L256 PolarHBondContact O-N 2.93Å; P254-K257 PolarHBondContact O-N 3.47Å
255	W	91.8	Very high	85.2	Confident	5 Å²	5	77.6 Å²	77.6	2%	0.019	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-51.7	-36.9	-176.4	-65.9	123.1	0	0	0	113.4	V236 M237 S238 G239 G240 I241 K257 I258 I261 C301 H304 H305 R309	V236-W255 HydrophobicContact CG1-CH2 3.92Å; V236-W255 HydrophobicContact CG1-CZ2 3.93Å; M237-W255 WeakPolarHBondContact O-CZ2 3.33Å; M237-W255 PolarHBondContact O-NE1 3.31Å; S238-W255 PolarHBondContact O-NE1 3.46Å; G239-W255 PolarHBondContact O-N 3.26Å; G239-W255 VanDerWaalsContact O-N 3.08Å; G240-W255 VanDerWaalsContact CA-CE2 3.49Å; I241-W255 HydrophobicContact CD1-CH2 4.31Å; I241-W255 HydrophobicContact CD1-CZ3 3.95Å; I241-W255 HydrophobicContact CG1-CH2 3.64Å; I241-W255 HydrophobicContact CG1-CZ3 3.6Å; W255-K257 VanDerWaalsContact C-N 3.28Å; W255-K257 PolarHBondContact O-N 2.91Å; W255-I258 HydrophobicContact CE3-CD1 4.02Å; W255-I258 HydrophobicContact CZ3-CD1 4.26Å; W255-I258 PolarHBondContact O-N 3.35Å; W255-I258 VanDerWaalsContact O-N 3.09Å; W255-I261 HydrophobicContact CE3-CD1 4.4Å; W255-I261 HydrophobicContact CZ3-CD1 3.76Å; W255-C301 HydrophobicContact CH2-CB 3.93Å; W255-C301 HydrophobicContact CZ3-CB 4.13Å; W255-H304 HydrophobicContact CH2-CB 4.41Å; W255-H304 HydrophobicContact CZ2-CB 3.76Å; W255-H305 HydrophobicContact CD2-CB 4.26Å; W255-H305 HydrophobicContact CE3-CB 4.13Å; W255-H305 AromaticContact CE3-CD2 3.92Å; W255-H305 HydrophobicContact CZ3-CB 4.36Å; W255-R309 HydrophobicContact CB-CG 3.7Å; W255-R309 HydrophobicContact CG-CG 3.85Å
256	L	84.6	Confident	85.4	Confident	73 Å²	73	79.5 Å²	79.5	38%	0.382	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-65.4	-21.1	178.4	69.4	96.1	0	0	0	115.1	P254	P254-L256 HydrophobicContact CB-CD2 4.35Å; P254-L256 HydrophobicContact CB-CG 4.19Å; P254-L256 PolarHBondContact O-N 2.93Å
257	K	86.1	Confident	85.8	Confident	87 Å²	87	76.3 Å²	76.3	38%	0.378	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-87.3	-7.6	173.4	-74.7	-152.5	176.9	-165.8	0	112.8	P254 W255 L272 R273 E275	P254-K257 PolarHBondContact O-N 3.47Å; W255-K257 VanDerWaalsContact C-N 3.28Å; W255-K257 PolarHBondContact O-N 2.91Å; K257-L272 CarbonylContact O-C 3.57Å; K257-L272 VanDerWaalsContact O-CA 3.27Å; K257-L272 WeakPolarHBondContact O-CA 3.36Å; K257-R273 PolarHBondContact O-N 3.37Å; K257-E275 WeakPolarHBondContact CE-OE1 3.3Å; K257-E275 IonicContact NZ-OE1 3.24Å; K257-E275 PolarHBondContact NZ-OE1 2.87Å
258	I	87.9	Confident	86.8	Confident	21 Å²	21	69 Å²	69	11%	0.108	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.6	-174.8	-58.9	173.1	0	0	0	109.9	I241 F253 W255 I261 I270 L272	I241-I258 HydrophobicContact CB-CD1 4.45Å; I241-I258 HydrophobicContact CD1-CD1 3.95Å; I241-I258 HydrophobicContact CG1-CD1 4.09Å; F253-I258 HydrophobicContact CB-CD1 4.04Å; F253-I258 HydrophobicContact CB-CG1 4.26Å; W255-I258 HydrophobicContact CE3-CD1 4.02Å; W255-I258 HydrophobicContact CZ3-CD1 4.26Å; W255-I258 PolarHBondContact O-N 3.35Å; W255-I258 VanDerWaalsContact O-N 3.09Å; I258-I261 HydrophobicContact CG2-CD1 4.1Å; I258-I261 HydrophobicContact CG2-CG1 3.55Å; I258-I270 HydrophobicContact CB-CG2 4.4Å; I258-I270 HydrophobicContact CD1-CG2 3.99Å; I258-I270 HydrophobicContact CG1-CG2 3.8Å; I258-I270 HydrophobicContact CG2-CG2 3.81Å; I258-L272 HydrophobicContact CG1-CD2 4.05Å
259	V	84.1	Confident	87.5	Confident	82 Å²	82	67.4 Å²	67.4	50%	0.497	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-40.9	174.5	173.2	0	0	0	0	111	Q271 R273	V259-Q271 HydrophobicContact CB-CG 4.42Å; V259-Q271 PolarHBondContact N-O 3.38Å; V259-R273 HydrophobicContact CG2-CB 3.99Å; V259-R273 HydrophobicContact CG2-CG 3.76Å
260	K	85.5	Confident	87.8	Confident	120 Å²	120	62 Å²	62	52%	0.522	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	142.7	-170.5	-165.9	-175.6	-171.8	173.9	0	111.8	Q271	K260-Q271 HydrophobicContact CB-CB 3.9Å; K260-Q271 VanDerWaalsContact CB-OE1 3.3Å; K260-Q271 PolarHBondContact N-O 3.48Å; K260-Q271 PolarHBondContact O-N 3.39Å
261	I	90.2	Very high	88	Confident	30 Å²	30	58.2 Å²	58.2	15%	0.154	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.8	172.8	-51.8	173.9	0	0	0	108	I241 W255 I258 F268 F269 W298 C301	I241-I261 HydrophobicContact CD1-CD1 4.01Å; W255-I261 HydrophobicContact CE3-CD1 4.4Å; W255-I261 HydrophobicContact CZ3-CD1 3.76Å; I258-I261 HydrophobicContact CG2-CD1 4.1Å; I258-I261 HydrophobicContact CG2-CG1 3.55Å; I261-F268 HydrophobicContact CG2-CE1 4.35Å; I261-F268 HydrophobicContact CG2-CE2 3.42Å; I261-F268 VanDerWaalsContact CG2-CE2 3.42Å; I261-F268 HydrophobicContact CG2-CZ 3.32Å; I261-F269 WeakPolarHBondContact CA-O 3.26Å; I261-W298 PolarHBondContact O-NE1 3.41Å; I261-C301 HydrophobicContact CD1-CB 3.78Å; I261-C301 HydrophobicContact CG2-CB 4.46Å
262	S	85.6	Confident	88	Confident	42 Å²	42	55.5 Å²	55.5	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	168.8	-176.7	69.6	0	0	0	0	111.7	F269	S262-F269 PolarHBondContact N-O 2.94Å; S262-F269 PolarHBondContact O-N 2.67Å
263	F	87.7	Confident	87.4	Confident	43 Å²	43	58.5 Å²	58.5	19%	0.189	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.3	177.5	74.2	-75.4	0	0	0	112.4	Q267 F268 Y291 C294 K295 W298	F263-Q267 CarbonylContact C-O 3.52Å; F263-Q267 WeakPolarHBondContact CA-O 3.41Å; F263-Q267 VanDerWaalsContact CB-O 3.3Å; F263-Q267 WeakPolarHBondContact CB-O 3.47Å; F263-F268 HydrophobicContact CB-CD2 4.44Å; F263-Y291 HydrophobicContact CE2-CD2 4.11Å; F263-Y291 AromaticContact CE2-CE2 3.64Å; F263-Y291 HydrophobicContact CE2-CE2 3.64Å; F263-Y291 HydrophobicContact CZ-CE2 4.42Å; F263-C294 VanDerWaalsContact CB-SG 3.53Å; F263-C294 HydrophobicContact CD2-CB 4.32Å; F263-K295 HydrophobicContact CE2-CB 3.96Å; F263-K295 HydrophobicContact CE2-CG 4.29Å; F263-K295 HydrophobicContact CZ-CB 3.98Å; F263-K295 HydrophobicContact CZ-CD 4.19Å; F263-K295 HydrophobicContact CZ-CG 3.82Å; F263-W298 HydrophobicContact CD1-CB 3.78Å; F263-W298 AromaticContact CD1-CD1 3.68Å; F263-W298 AromaticContact CD1-CD2 3.96Å; F263-W298 HydrophobicContact CD1-CD2 3.96Å; F263-W298 AromaticContact CD1-CG 3.49Å; F263-W298 HydrophobicContact CD1-CG 3.49Å; F263-W298 VanDerWaalsContact CD1-CG 3.49Å; F263-W298 HydrophobicContact CE1-CB 4.05Å; F263-W298 AromaticContact CE1-CD2 3.66Å; F263-W298 HydrophobicContact CE1-CD2 3.66Å; F263-W298 AromaticContact CE1-CE3 3.97Å; F263-W298 HydrophobicContact CE1-CE3 3.97Å; F263-W298 AromaticContact CE1-CG 3.68Å; F263-W298 HydrophobicContact CE1-CG 3.68Å; F263-W298 HydrophobicContact CG-CB 4.44Å
264	K	81.9	Confident	86.4	Confident	148 Å²	148	63.3 Å²	63.3	64%	0.643	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	118	178.4	-171.6	-179.3	179.6	-177.2	0	109.2	K266 Q267 F269	K264-K266 PolarHBondContact O-N 3.05Å; K264-Q267 PolarHBondContact N-O 3.06Å; K264-Q267 PolarHBondContact O-N 3.47Å; K264-F269 HydrophobicContact CB-CE2 4.11Å
265	C	86.6	Confident	84.8	Confident	92 Å²	92	66.1 Å²	66.1	62%	0.622	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-106.8	-175.6	-60.3	0	0	0	0	112.4	Y291	C265-Y291 WeakPolarHBondContact O-CA 3.46Å; C265-Y291 WeakPolarHBondContact O-CD2 3.34Å
266	K	88.6	Confident	82.6	Confident	114 Å²	114	72 Å²	72	50%	0.496	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-4.1	176	71.5	171.9	-176.2	173.6	0	114.2	K264 M288	K264-K266 PolarHBondContact O-N 3.05Å; K266-M288 VanDerWaalsContact O-CB 3.27Å; K266-M288 WeakPolarHBondContact O-CB 3.44Å; K266-M288 PolarHBondContact O-N 2.87Å
267	Q	87.7	Confident	80.6	Confident	80 Å²	80	77.6 Å²	77.6	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.4	-174.9	-60.6	178.3	-62	0	0	110.7	F263 K264 F269 F286	F263-Q267 CarbonylContact C-O 3.52Å; F263-Q267 WeakPolarHBondContact CA-O 3.41Å; F263-Q267 VanDerWaalsContact CB-O 3.3Å; F263-Q267 WeakPolarHBondContact CB-O 3.47Å; K264-Q267 PolarHBondContact N-O 3.06Å; K264-Q267 PolarHBondContact O-N 3.47Å; Q267-F269 HydrophobicContact CB-CD2 4.48Å; Q267-F269 HydrophobicContact CB-CE2 3.55Å; Q267-F269 HydrophobicContact CB-CZ 3.6Å; Q267-F269 HydrophobicContact CG-CZ 4.46Å; Q267-F286 CarbonylContact C-O 3.5Å; Q267-F286 VanDerWaalsContact CA-O 3.31Å; Q267-F286 WeakPolarHBondContact CA-O 3.46Å
268	F	93.4	Very high	78.7	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.4	175.8	-178.8	-105.3	0	0	0	109.2	I234 I241 I261 F263 I270 G285 F286 M288 L297 W298	I234-F268 HydrophobicContact CD1-CD1 4.27Å; I241-F268 HydrophobicContact CD1-CE1 4.34Å; I241-F268 HydrophobicContact CD1-CZ 4.25Å; I261-F268 HydrophobicContact CG2-CE1 4.35Å; I261-F268 HydrophobicContact CG2-CE2 3.42Å; I261-F268 VanDerWaalsContact CG2-CE2 3.42Å; I261-F268 HydrophobicContact CG2-CZ 3.32Å; F263-F268 HydrophobicContact CB-CD2 4.44Å; F268-I270 HydrophobicContact CD1-CG1 4.27Å; F268-I270 HydrophobicContact CE1-CD1 4.07Å; F268-I270 HydrophobicContact CE1-CG1 3.69Å; F268-I270 HydrophobicContact CZ-CG1 4.47Å; F268-G285 WeakPolarHBondContact O-CA 3.46Å; F268-F286 HydrophobicContact CD1-CD2 4.18Å; F268-F286 PolarHBondContact N-O 3.42Å; F268-F286 PolarHBondContact O-N 2.65Å; F268-M288 HydrophobicContact CB-CG 4.13Å; F268-M288 HydrophobicContact CB-SD 4.46Å; F268-L297 HydrophobicContact CB-CD2 4.19Å; F268-L297 HydrophobicContact CD1-CD2 3.55Å; F268-L297 HydrophobicContact CD1-CG 4.33Å; F268-L297 HydrophobicContact CD2-CD2 3.79Å; F268-L297 HydrophobicContact CD2-CG 3.99Å; F268-L297 HydrophobicContact CE1-CD1 4.47Å; F268-L297 HydrophobicContact CE1-CD2 3.73Å; F268-L297 HydrophobicContact CE1-CG 4.08Å; F268-L297 HydrophobicContact CE2-CD2 3.96Å; F268-L297 HydrophobicContact CE2-CG 3.74Å; F268-L297 HydrophobicContact CG-CD2 3.57Å; F268-L297 HydrophobicContact CG-CG 4.27Å; F268-L297 HydrophobicContact CZ-CD1 4.24Å; F268-L297 HydrophobicContact CZ-CD2 3.92Å; F268-L297 HydrophobicContact CZ-CG 3.77Å; F268-W298 HydrophobicContact CD2-CB 4.43Å; F268-W298 HydrophobicContact CE2-CB 4.08Å
269	F	90.9	Very high	76.5	Confident	43 Å²	43	80.9 Å²	80.9	19%	0.189	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.5	-174.3	-61	-82.5	0	0	0	112.5	I261 S262 K264 Q267 L283 L284	I261-F269 WeakPolarHBondContact CA-O 3.26Å; S262-F269 PolarHBondContact N-O 2.94Å; S262-F269 PolarHBondContact O-N 2.67Å; K264-F269 HydrophobicContact CB-CE2 4.11Å; Q267-F269 HydrophobicContact CB-CD2 4.48Å; Q267-F269 HydrophobicContact CB-CE2 3.55Å; Q267-F269 HydrophobicContact CB-CZ 3.6Å; Q267-F269 HydrophobicContact CG-CZ 4.46Å; F269-L283 HydrophobicContact CB-CD1 4.17Å; F269-L283 HydrophobicContact CD1-CG 4.48Å; F269-L284 CarbonylContact C-O 3.55Å; F269-L284 VanDerWaalsContact CA-O 3.25Å; F269-L284 WeakPolarHBondContact CA-O 3.44Å
270	I	91.9	Very high	74.6	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.6	173	-49.3	176.1	0	0	0	107.4	I241 F253 I258 F268 L272 L284 F286	I241-I270 HydrophobicContact CB-CD1 4.36Å; I241-I270 HydrophobicContact CD1-CD1 3.84Å; I241-I270 HydrophobicContact CD1-CG1 4.24Å; I241-I270 HydrophobicContact CG2-CD1 3.94Å; F253-I270 HydrophobicContact CD2-CD1 3.93Å; F253-I270 HydrophobicContact CE2-CD1 4.38Å; I258-I270 HydrophobicContact CB-CG2 4.4Å; I258-I270 HydrophobicContact CD1-CG2 3.99Å; I258-I270 HydrophobicContact CG1-CG2 3.8Å; I258-I270 HydrophobicContact CG2-CG2 3.81Å; F268-I270 HydrophobicContact CD1-CG1 4.27Å; F268-I270 HydrophobicContact CE1-CD1 4.07Å; F268-I270 HydrophobicContact CE1-CG1 3.69Å; F268-I270 HydrophobicContact CZ-CG1 4.47Å; I270-L272 HydrophobicContact CG2-CD2 3.88Å; I270-L284 HydrophobicContact CB-CB 4.42Å; I270-L284 PolarHBondContact N-O 3.36Å; I270-L284 PolarHBondContact O-N 3.14Å; I270-F286 HydrophobicContact CD1-CE2 3.77Å; I270-F286 HydrophobicContact CG1-CE2 4.11Å
271	Q	86.4	Confident	73.2	Confident	25 Å²	25	87.2 Å²	87.2	12%	0.117	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.4	172.3	-170.1	-179	-7.5	0	0	107.8	V259 K260 E281 L283	V259-Q271 HydrophobicContact CB-CG 4.42Å; V259-Q271 PolarHBondContact N-O 3.38Å; K260-Q271 HydrophobicContact CB-CB 3.9Å; K260-Q271 VanDerWaalsContact CB-OE1 3.3Å; K260-Q271 PolarHBondContact N-O 3.48Å; K260-Q271 PolarHBondContact O-N 3.39Å; Q271-E281 PolarHBondContact NE2-OE1 3.34Å; Q271-E281 PolarHBondContact NE2-OE2 2.72Å; Q271-L283 HydrophobicContact CB-CD1 3.89Å; Q271-L283 HydrophobicContact CG-CD1 4.35Å
272	L	84.8	Confident	72.5	Confident	24 Å²	24	87.7 Å²	87.7	13%	0.126	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	158.8	178.4	-60.8	-177.5	0	0	0	111.7	F253 K257 I258 I270 K274 T282 L284	F253-L272 HydrophobicContact CB-CD2 4.41Å; F253-L272 HydrophobicContact CD1-CD1 4.06Å; F253-L272 HydrophobicContact CD1-CD2 4.1Å; F253-L272 HydrophobicContact CE1-CD1 4.15Å; F253-L272 HydrophobicContact CG-CD2 4.41Å; K257-L272 CarbonylContact O-C 3.57Å; K257-L272 VanDerWaalsContact O-CA 3.27Å; K257-L272 WeakPolarHBondContact O-CA 3.36Å; I258-L272 HydrophobicContact CG1-CD2 4.05Å; I270-L272 HydrophobicContact CG2-CD2 3.88Å; L272-K274 PolarHBondContact O-N 3.07Å; L272-T282 HydrophobicContact CD1-CG2 4.06Å; L272-T282 PolarHBondContact N-O 2.86Å; L272-L284 HydrophobicContact CD1-CD1 3.99Å; L272-L284 HydrophobicContact CD1-CG 4.46Å; L272-L284 HydrophobicContact CG-CD1 4.44Å
273	R	78.1	Confident	72.4	Confident	134 Å²	134	90.3 Å²	90.3	51%	0.506	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-68.8	124.9	171.2	-130.7	178.5	-162.5	-113.6	5.1	107.8	K257 V259 E275	K257-R273 PolarHBondContact O-N 3.37Å; V259-R273 HydrophobicContact CG2-CB 3.99Å; V259-R273 HydrophobicContact CG2-CG 3.76Å; R273-E275 PolarHBondContact O-N 2.79Å
274	K	69.2	Low	72.4	Confident	125 Å²	125	90 Å²	90	54%	0.543	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-55.5	124.7	175	-178.4	-178.9	-178.1	179.6	0	110	L272 E278 S279	L272-K274 PolarHBondContact O-N 3.07Å; K274-E278 WeakPolarHBondContact CE-O 3.29Å; K274-E278 HydrophobicContact CG-CB 4.44Å; K274-S279 PolarHBondContact NZ-O 3.23Å; K274-S279 VanDerWaalsContact NZ-O 3.17Å
275	E	58.8	Low	72.7	Confident	100 Å²	100	83.6 Å²	83.6	47%	0.467	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-87.1	157	174.6	-58.2	-162.8	179.4	0	0	111.1	K257 R273 H277 E278	K257-E275 WeakPolarHBondContact CE-OE1 3.3Å; K257-E275 IonicContact NZ-OE1 3.24Å; K257-E275 PolarHBondContact NZ-OE1 2.87Å; R273-E275 PolarHBondContact O-N 2.79Å; E275-H277 PolarHBondContact O-N 2.65Å; E275-E278 HydrophobicContact CB-CG 4.45Å; E275-E278 PolarHBondContact N-OE2 2.95Å; E275-E278 PolarHBondContact O-N 3.28Å
276	L	44	Very low	73	Confident	129 Å²	129	80.1 Å²	80.1	68%	0.675	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.4	-165	-70.5	170.6	0	0	0	115.5
277	H	43.2	Very low	73	Confident	191 Å²	191	76.6 Å²	76.6	88%	0.884	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-9.3	178.6	-55.4	-63.8	0	0	0	113.6	E275	E275-H277 PolarHBondContact O-N 2.65Å
278	E	46.6	Very low	73.2	Confident	74 Å²	74	73 Å²	73	35%	0.346	35%	0.35	S	S	.	.			trans	-80.4	131.5	175.1	-65.1	-172.6	138.7	0	0	109.7	K274 E275 T282	K274-E278 WeakPolarHBondContact CE-O 3.29Å; K274-E278 HydrophobicContact CG-CB 4.44Å; E275-E278 HydrophobicContact CB-CG 4.45Å; E275-E278 PolarHBondContact N-OE2 2.95Å; E275-E278 PolarHBondContact O-N 3.28Å; E278-T282 PolarHBondContact OE1-OG1 2.65Å; E278-T282 PolarHBondContact OE2-OG1 3.46Å
279	S	42.4	Very low	72.8	Confident	102 Å²	102	78.4 Å²	78.4	71%	0.713	38%	0.383	S	S	*	.	S	Bend	trans	-82	-23.1	177.6	59.9	0	0	0	0	113.4	K274	K274-S279 PolarHBondContact NZ-O 3.23Å; K274-S279 VanDerWaalsContact NZ-O 3.17Å
280	R	42.7	Very low	72.5	Confident	207 Å²	207	79.8 Å²	79.8	78%	0.781	39%	0.392	S	S	*	.	S	Bend	trans	-118.3	167.7	-173.1	-64.8	-179.7	177.7	177.4	0.2	111.8
281	E	56.1	Low	72.2	Confident	128 Å²	128	85.5 Å²	85.5	60%	0.598	41%	0.414	S	S	*	.			trans	-80.3	124.5	170.8	-59.9	-170.3	135.2	0	0	111	Q271 L283	Q271-E281 PolarHBondContact NE2-OE1 3.34Å; Q271-E281 PolarHBondContact NE2-OE2 2.72Å; E281-L283 PolarHBondContact O-N 2.9Å; E281-L283 VanDerWaalsContact O-N 3.1Å
282	T	76.4	Confident	72	Confident	41 Å²	41	91.7 Å²	91.7	25%	0.252	44%	0.437	S	S	.	.			trans	-78.6	96.8	177.6	-66.9	0	0	0	0	110.7	L272 E278 L284	L272-T282 HydrophobicContact CD1-CG2 4.06Å; L272-T282 PolarHBondContact N-O 2.86Å; E278-T282 PolarHBondContact OE1-OG1 2.65Å; E278-T282 PolarHBondContact OE2-OG1 3.46Å; T282-L284 HydrophobicContact CG2-CD2 4.12Å
283	L	83.8	Confident	72.2	Confident	97 Å²	97	90.8 Å²	90.8	51%	0.508	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.2	179.4	-177.9	67.7	0	0	0	111.3	F269 Q271 E281	F269-L283 HydrophobicContact CB-CD1 4.17Å; F269-L283 HydrophobicContact CD1-CG 4.48Å; Q271-L283 HydrophobicContact CB-CD1 3.89Å; Q271-L283 HydrophobicContact CG-CD1 4.35Å; E281-L283 PolarHBondContact O-N 2.9Å; E281-L283 VanDerWaalsContact O-N 3.1Å
284	L	87.4	Confident	72.8	Confident	37 Å²	37	84.4 Å²	84.4	19%	0.194	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.2	178	-54.1	179.8	0	0	0	110.7	F253 F269 I270 L272 T282 F286	F253-L284 HydrophobicContact CD1-CD1 4.24Å; F253-L284 HydrophobicContact CD2-CD1 4.43Å; F253-L284 HydrophobicContact CE1-CD1 3.51Å; F253-L284 HydrophobicContact CE2-CD1 3.7Å; F253-L284 HydrophobicContact CZ-CD1 3.21Å; F269-L284 CarbonylContact C-O 3.55Å; F269-L284 VanDerWaalsContact CA-O 3.25Å; F269-L284 WeakPolarHBondContact CA-O 3.44Å; I270-L284 HydrophobicContact CB-CB 4.42Å; I270-L284 PolarHBondContact N-O 3.36Å; I270-L284 PolarHBondContact O-N 3.14Å; L272-L284 HydrophobicContact CD1-CD1 3.99Å; L272-L284 HydrophobicContact CD1-CG 4.46Å; L272-L284 HydrophobicContact CG-CD1 4.44Å; T282-L284 HydrophobicContact CG2-CD2 4.12Å; L284-F286 HydrophobicContact CB-CE2 3.78Å; L284-F286 HydrophobicContact CB-CZ 4.03Å; L284-F286 HydrophobicContact CD1-CZ 4.46Å
285	G	87.9	Confident	73.6	Confident	12 Å²	12	81.2 Å²	81.2	12%	0.124	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.8	178.7	0	0	0	0	0	113.2	Q227 F268	Q227-G285 WeakPolarHBondContact CG-O 3.43Å; F268-G285 WeakPolarHBondContact O-CA 3.46Å
286	F	92.1	Very high	75.1	Confident	20 Å²	20	77.9 Å²	77.9	9%	0.088	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.7	-176.9	-54.3	-83.8	0	0	0	111.5	I232 I234 I243 F253 Q267 F268 I270 L284	I232-F286 HydrophobicContact CD1-CD1 3.67Å; I232-F286 HydrophobicContact CD1-CE1 4.11Å; I234-F286 HydrophobicContact CD1-CB 3.89Å; I234-F286 HydrophobicContact CD1-CD1 4.38Å; I234-F286 HydrophobicContact CD1-CD2 4.28Å; I234-F286 HydrophobicContact CD1-CG 3.93Å; I243-F286 HydrophobicContact CD1-CD1 4.47Å; I243-F286 HydrophobicContact CD1-CE1 3.75Å; I243-F286 HydrophobicContact CD1-CE2 4.43Å; I243-F286 HydrophobicContact CD1-CZ 3.72Å; I243-F286 HydrophobicContact CG1-CE1 4.34Å; I243-F286 HydrophobicContact CG1-CZ 4.28Å; F253-F286 HydrophobicContact CE2-CZ 4.38Å; Q267-F286 CarbonylContact C-O 3.5Å; Q267-F286 VanDerWaalsContact CA-O 3.31Å; Q267-F286 WeakPolarHBondContact CA-O 3.46Å; F268-F286 HydrophobicContact CD1-CD2 4.18Å; F268-F286 PolarHBondContact N-O 3.42Å; F268-F286 PolarHBondContact O-N 2.65Å; I270-F286 HydrophobicContact CD1-CE2 3.77Å; I270-F286 HydrophobicContact CG1-CE2 4.11Å; L284-F286 HydrophobicContact CB-CE2 3.78Å; L284-F286 HydrophobicContact CB-CZ 4.03Å; L284-F286 HydrophobicContact CD1-CZ 4.46Å
287	N	90.3	Very high	77.4	Confident	39 Å²	39	71.8 Å²	71.8	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	108.7	-176.8	-72.3	-69.1	0	0	0	111.4	A224 R225 D226	A224-N287 CarbonylContact C-O 3.59Å; A224-N287 WeakPolarHBondContact CA-O 3.46Å; R225-N287 HydrophobicContact CB-CB 4.28Å; R225-N287 PolarHBondContact N-O 3.01Å; R225-N287 PolarHBondContact O-N 3.49Å; D226-N287 PolarHBondContact O-ND2 3.14Å; D226-N287 VanDerWaalsContact O-ND2 3.16Å
288	M	90	Very high	79.8	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	155.4	176.7	-54	-65.1	-65.4	0	0	111.3	H222 Y223 A224 I234 K266 F268 N290 A293 C294 L297	H222-M288 HydrophobicContact CB-CE 4.05Å; Y223-M288 WeakPolarHBondContact O-CE 3.19Å; A224-M288 HydrophobicContact CB-CE 4.46Å; A224-M288 HydrophobicContact CB-SD 3.51Å; A224-M288 VanDerWaalsContact CB-SD 3.51Å; I234-M288 HydrophobicContact CD1-SD 4.17Å; K266-M288 VanDerWaalsContact O-CB 3.27Å; K266-M288 WeakPolarHBondContact O-CB 3.44Å; K266-M288 PolarHBondContact O-N 2.87Å; F268-M288 HydrophobicContact CB-CG 4.13Å; F268-M288 HydrophobicContact CB-SD 4.46Å; M288-N290 PolarHBondContact O-N 3.37Å; M288-N290 VanDerWaalsContact O-N 3.16Å; M288-A293 HydrophobicContact CE-CB 4.26Å; M288-C294 HydrophobicContact CB-CB 3.82Å; M288-C294 HydrophobicContact CG-CB 3.67Å; M288-L297 HydrophobicContact CE-CB 4.03Å; M288-L297 HydrophobicContact CE-CD2 3.69Å; M288-L297 HydrophobicContact SD-CD2 3.59Å; M288-L297 VanDerWaalsContact SD-CD2 3.59Å
289	V	85.8	Confident	81.9	Confident	113 Å²	113	62.1 Å²	62.1	69%	0.685	30%	0.301	S	S	*	.	S	Bend	trans	-55.2	-36.4	179	-173.7	0	0	0	0	112.3
290	N	84.4	Confident	84.3	Confident	71 Å²	71	57.4 Å²	57.4	38%	0.38	27%	0.268	S	S	.	.	S	Bend	trans	-161.4	171.1	175.4	60.5	73.1	0	0	0	112.5	M288 R292 A293 C294	M288-N290 PolarHBondContact O-N 3.37Å; M288-N290 VanDerWaalsContact O-N 3.16Å; N290-R292 VanDerWaalsContact C-N 3.26Å; N290-R292 PolarHBondContact O-N 3Å; N290-R292 WeakPolarHBondContact OD1-CA 3.37Å; N290-R292 VanDerWaalsContact OD1-CB 3.28Å; N290-R292 WeakPolarHBondContact OD1-CB 3.33Å; N290-R292 PolarHBondContact OD1-N 2.81Å; N290-A293 PolarHBondContact O-N 2.84Å; N290-A293 PolarHBondContact OD1-N 3.23Å; N290-C294 PolarHBondContact O-N 3.18Å
291	Y	85.3	Confident	86.8	Confident	120 Å²	120	47.5 Å²	47.5	47%	0.471	23%	0.231	S	C	.	.	H	α-helix	trans	-54.5	-34.8	177.2	171.4	-89.9	0	0	0	114	F263 C265 K295	F263-Y291 HydrophobicContact CE2-CD2 4.11Å; F263-Y291 AromaticContact CE2-CE2 3.64Å; F263-Y291 HydrophobicContact CE2-CE2 3.64Å; F263-Y291 HydrophobicContact CZ-CE2 4.42Å; C265-Y291 WeakPolarHBondContact O-CA 3.46Å; C265-Y291 WeakPolarHBondContact O-CD2 3.34Å; Y291-K295 HydrophobicContact CE1-CD 3.81Å; Y291-K295 VanDerWaalsContact O-CB 3.28Å; Y291-K295 WeakPolarHBondContact O-CB 3.39Å; Y291-K295 PolarHBondContact O-N 3.03Å; Y291-K295 PolarHBondContact OH-NZ 3.44Å
292	R	83.8	Confident	88.4	Confident	156 Å²	156	43.2 Å²	43.2	59%	0.589	21%	0.213	S	C	*	.	H	α-helix	trans	-71.5	-46.1	-179.9	-169.9	-174.5	-61.4	167.9	5.5	110.8	N290 C294 K295 N296	N290-R292 VanDerWaalsContact C-N 3.26Å; N290-R292 PolarHBondContact O-N 3Å; N290-R292 WeakPolarHBondContact OD1-CA 3.37Å; N290-R292 VanDerWaalsContact OD1-CB 3.28Å; N290-R292 WeakPolarHBondContact OD1-CB 3.33Å; N290-R292 PolarHBondContact OD1-N 2.81Å; R292-C294 VanDerWaalsContact C-N 3.3Å; R292-C294 PolarHBondContact O-N 2.94Å; R292-K295 PolarHBondContact O-N 3.35Å; R292-N296 WeakPolarHBondContact O-CB 3.39Å; R292-N296 VanDerWaalsContact O-CG 3.24Å; R292-N296 PolarHBondContact O-N 3.45Å; R292-N296 PolarHBondContact O-OD1 3.06Å
293	A	87.7	Confident	89.2	Confident	4 Å²	4	41.8 Å²	41.8	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-44	173.7	0	0	0	0	0	111.4	M288 N290 K295 N296 L297	M288-A293 HydrophobicContact CE-CB 4.26Å; N290-A293 PolarHBondContact O-N 2.84Å; N290-A293 PolarHBondContact OD1-N 3.23Å; A293-K295 PolarHBondContact O-N 3.13Å; A293-N296 WeakPolarHBondContact O-CB 3.26Å; A293-N296 PolarHBondContact O-N 3.2Å; A293-L297 PolarHBondContact O-N 3.26Å
294	C	90	Very high	89.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-42.4	175.6	-161.3	0	0	0	0	113.2	F263 M288 N290 R292 W298	F263-C294 VanDerWaalsContact CB-SG 3.53Å; F263-C294 HydrophobicContact CD2-CB 4.32Å; M288-C294 HydrophobicContact CB-CB 3.82Å; M288-C294 HydrophobicContact CG-CB 3.67Å; N290-C294 PolarHBondContact O-N 3.18Å; R292-C294 VanDerWaalsContact C-N 3.3Å; R292-C294 PolarHBondContact O-N 2.94Å; C294-W298 WeakPolarHBondContact O-CB 3.46Å; C294-W298 PolarHBondContact O-N 3.09Å
295	K	87.1	Confident	90.1	Very high	59 Å²	59	38.2 Å²	38.2	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-71.8	-28.8	175.9	-168.6	168.9	-164.9	164.5	0	113.3	F263 Y291 R292 A293 K299 S329	F263-K295 HydrophobicContact CE2-CB 3.96Å; F263-K295 HydrophobicContact CE2-CG 4.29Å; F263-K295 HydrophobicContact CZ-CB 3.98Å; F263-K295 HydrophobicContact CZ-CD 4.19Å; F263-K295 HydrophobicContact CZ-CG 3.82Å; Y291-K295 HydrophobicContact CE1-CD 3.81Å; Y291-K295 VanDerWaalsContact O-CB 3.28Å; Y291-K295 WeakPolarHBondContact O-CB 3.39Å; Y291-K295 PolarHBondContact O-N 3.03Å; Y291-K295 PolarHBondContact OH-NZ 3.44Å; R292-K295 PolarHBondContact O-N 3.35Å; A293-K295 PolarHBondContact O-N 3.13Å; K295-K299 VanDerWaalsContact O-CG 3.29Å; K295-K299 WeakPolarHBondContact O-CG 3.46Å; K295-K299 PolarHBondContact O-N 3.5Å; K295-S329 WeakPolarHBondContact CE-OG 3.5Å
296	N	89.3	Confident	90.2	Very high	30 Å²	30	38.2 Å²	38.2	16%	0.16	18%	0.181	C	C	.	.	H	α-helix	trans	-67.7	-53.7	173	-72.3	0.3	0	0	0	109.9	N81 R292 A293 W298 K299 A300	N81-N296 PolarHBondContact OD1-ND2 3.16Å; R292-N296 WeakPolarHBondContact O-CB 3.39Å; R292-N296 VanDerWaalsContact O-CG 3.24Å; R292-N296 PolarHBondContact O-N 3.45Å; R292-N296 PolarHBondContact O-OD1 3.06Å; A293-N296 WeakPolarHBondContact O-CB 3.26Å; A293-N296 PolarHBondContact O-N 3.2Å; N296-W298 VanDerWaalsContact C-N 3.34Å; N296-W298 PolarHBondContact O-N 3.37Å; N296-K299 CarbonylContact O-C 3.59Å; N296-K299 WeakPolarHBondContact O-CA 3.27Å; N296-K299 WeakPolarHBondContact O-CB 3.13Å; N296-K299 PolarHBondContact O-N 3.26Å; N296-A300 PolarHBondContact O-N 2.9Å
297	L	92.8	Very high	90.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-54.4	-48	174.7	168.6	63.1	0	0	0	111.6	H222 I234 V236 F268 M288 A293 K299 A300 C301	H222-L297 HydrophobicContact CB-CB 4.24Å; H222-L297 HydrophobicContact CB-CD1 4.31Å; H222-L297 WeakPolarHBondContact CD2-CD1 3.25Å; I234-L297 HydrophobicContact CB-CD1 4.34Å; I234-L297 HydrophobicContact CB-CD2 4.31Å; I234-L297 HydrophobicContact CD1-CD2 3.7Å; I234-L297 HydrophobicContact CG2-CD1 3.72Å; I234-L297 HydrophobicContact CG2-CD2 4.15Å; V236-L297 HydrophobicContact CG2-CD1 3.72Å; F268-L297 HydrophobicContact CB-CD2 4.19Å; F268-L297 HydrophobicContact CD1-CD2 3.55Å; F268-L297 HydrophobicContact CD1-CG 4.33Å; F268-L297 HydrophobicContact CD2-CD2 3.79Å; F268-L297 HydrophobicContact CD2-CG 3.99Å; F268-L297 HydrophobicContact CE1-CD1 4.47Å; F268-L297 HydrophobicContact CE1-CD2 3.73Å; F268-L297 HydrophobicContact CE1-CG 4.08Å; F268-L297 HydrophobicContact CE2-CD2 3.96Å; F268-L297 HydrophobicContact CE2-CG 3.74Å; F268-L297 HydrophobicContact CG-CD2 3.57Å; F268-L297 HydrophobicContact CG-CG 4.27Å; F268-L297 HydrophobicContact CZ-CD1 4.24Å; F268-L297 HydrophobicContact CZ-CD2 3.92Å; F268-L297 HydrophobicContact CZ-CG 3.77Å; M288-L297 HydrophobicContact CE-CB 4.03Å; M288-L297 HydrophobicContact CE-CD2 3.69Å; M288-L297 HydrophobicContact SD-CD2 3.59Å; M288-L297 VanDerWaalsContact SD-CD2 3.59Å; A293-L297 PolarHBondContact O-N 3.26Å; L297-K299 VanDerWaalsContact C-N 3.31Å; L297-K299 PolarHBondContact O-N 3.33Å; L297-A300 PolarHBondContact O-N 2.69Å; L297-A300 VanDerWaalsContact O-N 3.16Å; L297-C301 PolarHBondContact O-N 2.76Å; L297-C301 PolarHBondContact O-SG 3.42Å
298	W	93.2	Very high	90.6	Very high	35 Å²	35	36.6 Å²	36.6	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-36.2	176.4	177.4	87.4	0	0	0	113.1	I261 F263 F268 C294 N296 V302 S329 F331	I261-W298 PolarHBondContact O-NE1 3.41Å; F263-W298 HydrophobicContact CD1-CB 3.78Å; F263-W298 AromaticContact CD1-CD1 3.68Å; F263-W298 AromaticContact CD1-CD2 3.96Å; F263-W298 HydrophobicContact CD1-CD2 3.96Å; F263-W298 AromaticContact CD1-CG 3.49Å; F263-W298 HydrophobicContact CD1-CG 3.49Å; F263-W298 VanDerWaalsContact CD1-CG 3.49Å; F263-W298 HydrophobicContact CE1-CB 4.05Å; F263-W298 AromaticContact CE1-CD2 3.66Å; F263-W298 HydrophobicContact CE1-CD2 3.66Å; F263-W298 AromaticContact CE1-CE3 3.97Å; F263-W298 HydrophobicContact CE1-CE3 3.97Å; F263-W298 AromaticContact CE1-CG 3.68Å; F263-W298 HydrophobicContact CE1-CG 3.68Å; F263-W298 HydrophobicContact CG-CB 4.44Å; F268-W298 HydrophobicContact CD2-CB 4.43Å; F268-W298 HydrophobicContact CE2-CB 4.08Å; C294-W298 WeakPolarHBondContact O-CB 3.46Å; C294-W298 PolarHBondContact O-N 3.09Å; N296-W298 VanDerWaalsContact C-N 3.34Å; N296-W298 PolarHBondContact O-N 3.37Å; W298-V302 HydrophobicContact CD2-CG2 4.26Å; W298-V302 HydrophobicContact CH2-CG2 4.38Å; W298-V302 HydrophobicContact CZ2-CG2 3.91Å; W298-V302 WeakPolarHBondContact O-CB 3.29Å; W298-V302 VanDerWaalsContact O-CG2 3.28Å; W298-V302 WeakPolarHBondContact O-CG2 3.47Å; W298-V302 PolarHBondContact O-N 3.07Å; W298-V302 VanDerWaalsContact O-N 3.15Å; W298-S329 WeakPolarHBondContact CZ3-OG 3.45Å; W298-F331 HydrophobicContact CH2-CB 4.49Å; W298-F331 HydrophobicContact CH2-CD1 4.35Å; W298-F331 HydrophobicContact CZ3-CB 4.07Å; W298-F331 AromaticContact CZ3-CD1 3.87Å; W298-F331 HydrophobicContact CZ3-CD1 3.87Å; W298-F331 HydrophobicContact CZ3-CG 4.4Å
299	K	90.9	Very high	90.6	Very high	28 Å²	28	40.8 Å²	40.8	12%	0.122	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-50.2	171.1	-77.6	173.7	100.8	-69.6	0	110.9	D86 K295 N296 L297 C301 V302 E303 F331	D86-K299 WeakPolarHBondContact OD2-CE 3.11Å; D86-K299 IonicContact OD2-NZ 3.05Å; D86-K299 PolarHBondContact OD2-NZ 3.16Å; K295-K299 VanDerWaalsContact O-CG 3.29Å; K295-K299 WeakPolarHBondContact O-CG 3.46Å; K295-K299 PolarHBondContact O-N 3.5Å; N296-K299 CarbonylContact O-C 3.59Å; N296-K299 WeakPolarHBondContact O-CA 3.27Å; N296-K299 WeakPolarHBondContact O-CB 3.13Å; N296-K299 PolarHBondContact O-N 3.26Å; L297-K299 VanDerWaalsContact C-N 3.31Å; L297-K299 PolarHBondContact O-N 3.33Å; K299-C301 VanDerWaalsContact C-N 3.3Å; K299-C301 PolarHBondContact O-N 3.18Å; K299-V302 PolarHBondContact O-N 2.85Å; K299-V302 VanDerWaalsContact O-N 3.13Å; K299-E303 IonicContact NZ-OE1 3.73Å; K299-E303 PolarHBondContact NZ-OE1 2.99Å; K299-E303 WeakPolarHBondContact O-CB 3.38Å; K299-E303 WeakPolarHBondContact O-CG 3.12Å; K299-E303 PolarHBondContact O-N 3.34Å; K299-F331 HydrophobicContact CB-CE1 4.37Å; K299-F331 HydrophobicContact CD-CG 4.48Å; K299-F331 VanDerWaalsContact CE-CD2 3.44Å; K299-F331 HydrophobicContact CG-CD1 3.83Å; K299-F331 HydrophobicContact CG-CE1 4.04Å; K299-F331 HydrophobicContact CG-CG 4.12Å
300	A	93.1	Very high	90.6	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-55.9	-45.3	-178.6	0	0	0	0	0	111.1	H222 N296 L297 E303 H304	H222-A300 WeakPolarHBondContact NE2-CB 3.26Å; N296-A300 PolarHBondContact O-N 2.9Å; L297-A300 PolarHBondContact O-N 2.69Å; L297-A300 VanDerWaalsContact O-N 3.16Å; A300-E303 PolarHBondContact O-N 2.92Å; A300-H304 WeakPolarHBondContact O-CB 3.39Å; A300-H304 PolarHBondContact O-N 2.7Å; A300-H304 PolarHBondContact O-ND1 2.86Å
301	C	94.8	Very high	90.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-43.2	175.8	-59.8	0	0	0	0	113.3	V236 I241 W255 I261 L297 K299 H305	V236-C301 VanDerWaalsContact CG2-SG 3.56Å; I241-C301 HydrophobicContact CD1-CB 4.34Å; I241-C301 VanDerWaalsContact CD1-SG 3.56Å; W255-C301 HydrophobicContact CH2-CB 3.93Å; W255-C301 HydrophobicContact CZ3-CB 4.13Å; I261-C301 HydrophobicContact CD1-CB 3.78Å; I261-C301 HydrophobicContact CG2-CB 4.46Å; L297-C301 PolarHBondContact O-N 2.76Å; L297-C301 PolarHBondContact O-SG 3.42Å; K299-C301 VanDerWaalsContact C-N 3.3Å; K299-C301 PolarHBondContact O-N 3.18Å; C301-H305 WeakPolarHBondContact O-CB 3.48Å; C301-H305 PolarHBondContact O-N 2.92Å
302	V	91.3	Very high	90.5	Very high	37 Å²	37	40.9 Å²	40.9	22%	0.224	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-39.9	177.6	167	0	0	0	0	111.6	W298 K299 T306 F331	W298-V302 HydrophobicContact CD2-CG2 4.26Å; W298-V302 HydrophobicContact CH2-CG2 4.38Å; W298-V302 HydrophobicContact CZ2-CG2 3.91Å; W298-V302 WeakPolarHBondContact O-CB 3.29Å; W298-V302 VanDerWaalsContact O-CG2 3.28Å; W298-V302 WeakPolarHBondContact O-CG2 3.47Å; W298-V302 PolarHBondContact O-N 3.07Å; W298-V302 VanDerWaalsContact O-N 3.15Å; K299-V302 PolarHBondContact O-N 2.85Å; K299-V302 VanDerWaalsContact O-N 3.13Å; V302-T306 VanDerWaalsContact O-CB 3.29Å; V302-T306 WeakPolarHBondContact O-CB 3.49Å; V302-T306 PolarHBondContact O-N 3.41Å; V302-T306 PolarHBondContact O-OG1 3Å; V302-F331 HydrophobicContact CG1-CE1 4.37Å
303	E	92.9	Very high	90.4	Very high	11 Å²	11	35.3 Å²	35.3	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-50.6	177.9	-69.7	172.9	169.8	0	0	110.7	K108 F109 K299 A300 T306 F307 F331 Y333	K108-E303 WeakPolarHBondContact CE-OE2 3.5Å; K108-E303 IonicContact NZ-OE1 3Å; K108-E303 IonicContact NZ-OE2 2.66Å; K108-E303 PolarHBondContact NZ-OE2 2.65Å; F109-E303 HydrophobicContact CE1-CB 4.22Å; F109-E303 HydrophobicContact CZ-CB 4.11Å; K299-E303 IonicContact NZ-OE1 3.73Å; K299-E303 PolarHBondContact NZ-OE1 2.99Å; K299-E303 WeakPolarHBondContact O-CB 3.38Å; K299-E303 WeakPolarHBondContact O-CG 3.12Å; K299-E303 PolarHBondContact O-N 3.34Å; A300-E303 PolarHBondContact O-N 2.92Å; E303-T306 PolarHBondContact O-N 3.21Å; E303-F307 WeakPolarHBondContact O-CB 3.49Å; E303-F307 PolarHBondContact O-N 2.91Å; E303-F331 HydrophobicContact CG-CE1 3.87Å; E303-F331 HydrophobicContact CG-CZ 3.73Å; E303-F331 WeakPolarHBondContact OE1-CZ 3.34Å; E303-Y333 HydrophobicContact CB-CD2 4.16Å; E303-Y333 HydrophobicContact CG-CD2 4.13Å
304	H	95.3	Very high	89.6	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-45.6	176.3	-78.7	79.9	0	0	0	112.5	F109 E220 V236 W255 A300 T306 F307 F308	F109-H304 AromaticContact CD1-NE2 3.94Å; F109-H304 AromaticContact CE1-ND1 4Å; E220-H304 IonicContact OE2-CE1 2.69Å; V236-H304 HydrophobicContact CG1-CB 3.88Å; W255-H304 HydrophobicContact CH2-CB 4.41Å; W255-H304 HydrophobicContact CZ2-CB 3.76Å; A300-H304 WeakPolarHBondContact O-CB 3.39Å; A300-H304 PolarHBondContact O-N 2.7Å; A300-H304 PolarHBondContact O-ND1 2.86Å; H304-T306 PolarHBondContact O-N 3.17Å; H304-F307 PolarHBondContact O-N 2.71Å; H304-F308 HydrophobicContact CB-CD2 4.41Å; H304-F308 AromaticContact CD2-CE2 3.8Å; H304-F308 WeakPolarHBondContact O-CB 3.44Å; H304-F308 WeakPolarHBondContact O-CD2 3.15Å; H304-F308 PolarHBondContact O-N 3.3Å
305	H	93.7	Very high	88.1	Confident	57 Å²	57	46.1 Å²	46.1	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-45.5	176.7	-179.6	-73	0	0	0	111.4	W255 C301 F307 R309	W255-H305 HydrophobicContact CD2-CB 4.26Å; W255-H305 HydrophobicContact CE3-CB 4.13Å; W255-H305 AromaticContact CE3-CD2 3.92Å; W255-H305 HydrophobicContact CZ3-CB 4.36Å; C301-H305 WeakPolarHBondContact O-CB 3.48Å; C301-H305 PolarHBondContact O-N 2.92Å; H305-F307 VanDerWaalsContact C-N 3.32Å; H305-F307 PolarHBondContact O-N 3.04Å; H305-R309 VanDerWaalsContact O-CB 3.28Å; H305-R309 WeakPolarHBondContact O-CB 3.34Å; H305-R309 PolarHBondContact O-N 3.02Å
306	T	91.6	Very high	86.6	Confident	13 Å²	13	48.1 Å²	48.1	8%	0.08	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-37.8	179	-63	0	0	0	0	111.8	V302 E303 H304 L310 P313 Y333 T337	V302-T306 VanDerWaalsContact O-CB 3.29Å; V302-T306 WeakPolarHBondContact O-CB 3.49Å; V302-T306 PolarHBondContact O-N 3.41Å; V302-T306 PolarHBondContact O-OG1 3Å; E303-T306 PolarHBondContact O-N 3.21Å; H304-T306 PolarHBondContact O-N 3.17Å; T306-L310 HydrophobicContact CG2-CD1 4.22Å; T306-P313 HydrophobicContact CG2-CB 4.27Å; T306-Y333 HydrophobicContact CG2-CD1 3.36Å; T306-Y333 HydrophobicContact CG2-CD2 4.4Å; T306-Y333 HydrophobicContact CG2-CE1 4.04Å; T306-Y333 HydrophobicContact CG2-CG 3.59Å; T306-T337 HydrophobicContact CG2-CG2 4.42Å; T306-T337 WeakPolarHBondContact O-CG2 3.36Å
307	F	95.1	Very high	84.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.6	-50.5	177.7	-168.5	-102.8	0	0	0	112.6	D68 Y69 F109 E303 H304 H305 R336 E338	D68-F307 HydrophobicContact CB-CE2 3.95Å; Y69-F307 AromaticContact CD1-CE1 3.9Å; Y69-F307 HydrophobicContact CD1-CE1 3.9Å; Y69-F307 AromaticContact CD1-CZ 3.56Å; Y69-F307 HydrophobicContact CD1-CZ 3.56Å; Y69-F307 AromaticContact CE1-CE1 3.82Å; Y69-F307 HydrophobicContact CE1-CE1 3.82Å; Y69-F307 AromaticContact CE1-CZ 3.51Å; Y69-F307 HydrophobicContact CE1-CZ 3.51Å; F109-F307 HydrophobicContact CB-CD1 3.62Å; F109-F307 HydrophobicContact CB-CE1 3.54Å; F109-F307 HydrophobicContact CB-CG 4.32Å; F109-F307 HydrophobicContact CB-CZ 4.2Å; F109-F307 HydrophobicContact CD1-CB 4.31Å; F109-F307 HydrophobicContact CD1-CD1 4.24Å; F109-F307 HydrophobicContact CD1-CG 4.31Å; F109-F307 HydrophobicContact CD2-CB 4.35Å; F109-F307 AromaticContact CD2-CD1 3.9Å; F109-F307 HydrophobicContact CD2-CD1 3.9Å; F109-F307 AromaticContact CD2-CD2 3.78Å; F109-F307 HydrophobicContact CD2-CD2 3.78Å; F109-F307 HydrophobicContact CD2-CE1 4.09Å; F109-F307 AromaticContact CD2-CE2 3.98Å; F109-F307 HydrophobicContact CD2-CE2 3.98Å; F109-F307 AromaticContact CD2-CG 3.73Å; F109-F307 HydrophobicContact CD2-CG 3.73Å; F109-F307 HydrophobicContact CD2-CZ 4.12Å; F109-F307 HydrophobicContact CE1-CB 4.26Å; F109-F307 HydrophobicContact CE2-CB 4.31Å; F109-F307 AromaticContact CE2-CD2 3.99Å; F109-F307 HydrophobicContact CE2-CD2 3.99Å; F109-F307 HydrophobicContact CE2-CE2 4.49Å; F109-F307 HydrophobicContact CE2-CG 4.07Å; F109-F307 HydrophobicContact CG-CB 4.37Å; F109-F307 AromaticContact CG-CD1 3.67Å; F109-F307 HydrophobicContact CG-CD1 3.67Å; F109-F307 HydrophobicContact CG-CD2 4.38Å; F109-F307 AromaticContact CG-CE1 3.99Å; F109-F307 HydrophobicContact CG-CE1 3.99Å; F109-F307 AromaticContact CG-CG 3.88Å; F109-F307 HydrophobicContact CG-CG 3.88Å; F109-F307 HydrophobicContact CG-CZ 4.47Å; F109-F307 HydrophobicContact CZ-CB 4.26Å; F109-F307 HydrophobicContact CZ-CG 4.48Å; E303-F307 WeakPolarHBondContact O-CB 3.49Å; E303-F307 PolarHBondContact O-N 2.91Å; H304-F307 PolarHBondContact O-N 2.71Å; H305-F307 VanDerWaalsContact C-N 3.32Å; H305-F307 PolarHBondContact O-N 3.04Å; F307-R336 WeakPolarHBondContact CD2-O 3.44Å; F307-R336 WeakPolarHBondContact CE2-O 3.25Å; F307-E338 HydrophobicContact CD1-CB 4.03Å; F307-E338 HydrophobicContact CE1-CB 3.75Å; F307-E338 HydrophobicContact CE1-CG 4.04Å; F307-E338 HydrophobicContact CZ-CB 4.13Å; F307-E338 HydrophobicContact CZ-CG 4.48Å; F307-E338 WeakPolarHBondContact O-CB 3.42Å; F307-E338 PolarHBondContact O-N 3.4Å
308	F	94.7	Very high	82.4	Confident	24 Å²	24	63.6 Å²	63.6	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-94.7	-7.9	-169.8	-68.6	-70.8	0	0	0	115.8	F109 F110 H304 E338	F109-F308 HydrophobicContact CB-CE2 3.87Å; F109-F308 HydrophobicContact CB-CZ 3.69Å; F109-F308 HydrophobicContact CD1-CE2 4.01Å; F109-F308 HydrophobicContact CG-CE2 4.29Å; F110-F308 WeakPolarHBondContact O-CZ 3.41Å; H304-F308 HydrophobicContact CB-CD2 4.41Å; H304-F308 AromaticContact CD2-CE2 3.8Å; H304-F308 WeakPolarHBondContact O-CB 3.44Å; H304-F308 WeakPolarHBondContact O-CD2 3.15Å; H304-F308 PolarHBondContact O-N 3.3Å; F308-E338 HydrophobicContact CD1-CB 4.35Å; F308-E338 HydrophobicContact CD1-CG 4.36Å; F308-E338 WeakPolarHBondContact CD1-OE1 3.3Å; F308-E338 HydrophobicContact CE1-CG 4.48Å; F308-E338 WeakPolarHBondContact CE1-OE1 3.06Å
309	R	90.4	Very high	79.8	Confident	95 Å²	95	66.6 Å²	66.6	36%	0.358	33%	0.331	S	S	.	.	H	α-helix	trans	-126	-6.4	-175.4	-64.8	-62.7	-57.9	154.9	-0.1	116.4	W255 H305	W255-R309 HydrophobicContact CB-CG 3.7Å; W255-R309 HydrophobicContact CG-CG 3.85Å; H305-R309 VanDerWaalsContact O-CB 3.28Å; H305-R309 WeakPolarHBondContact O-CB 3.34Å; H305-R309 PolarHBondContact O-N 3.02Å
310	L	86.4	Confident	77.4	Confident	40 Å²	40	74.3 Å²	74.3	21%	0.209	37%	0.365	C	S	.	.			trans	-120.3	144.3	-178.4	-57	-178.2	0	0	0	111.6	T306 R312 L314 T337	T306-L310 HydrophobicContact CG2-CD1 4.22Å; L310-R312 WeakPolarHBondContact CB-O 3.46Å; L310-R312 PolarHBondContact O-N 3.39Å; L310-L314 HydrophobicContact CD1-CD1 4.39Å; L310-L314 HydrophobicContact CD1-CD2 4.45Å; L310-L314 HydrophobicContact CD1-CG 3.91Å; L310-T337 HydrophobicContact CB-CG2 4.46Å; L310-T337 WeakPolarHBondContact O-CB 3.37Å; L310-T337 VanDerWaalsContact O-CG2 3.23Å; L310-T337 WeakPolarHBondContact O-CG2 3.06Å; L310-T337 PolarHBondContact O-OG1 2.82Å
311	D	83.1	Confident	74.8	Confident	94 Å²	94	82.6 Å²	82.6	50%	0.503	40%	0.401	S	S	.	.	S	Bend	trans	-74.6	-17.7	174.6	-50.2	-51.9	0	0	0	112.8	T337 Q340	D311-T337 PolarHBondContact O-OG1 3.08Å; D311-Q340 WeakPolarHBondContact O-CG 3.37Å
312	R	83.7	Confident	72.3	Confident	172 Å²	172	84.6 Å²	84.6	65%	0.649	42%	0.417	S	S	*	.	S	Bend	trans	-156.6	151.9	177.9	70	-168.2	84.6	178.7	7.6	110.4	L310	L310-R312 WeakPolarHBondContact CB-O 3.46Å; L310-R312 PolarHBondContact O-N 3.39Å
313	P	81.6	Confident	69.9	Low	39 Å²	39	91.1 Å²	91.1	25%	0.253	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-60.2	140.1	172	-22.4	34.8	0	0	0	111.5	T306 Y333 G335 T337	T306-P313 HydrophobicContact CG2-CB 4.27Å; P313-Y333 HydrophobicContact CB-CD1 4.13Å; P313-Y333 HydrophobicContact CG-CD1 3.98Å; P313-Y333 HydrophobicContact CG-CE1 4.07Å; P313-G335 WeakPolarHBondContact CG-O 3.47Å; P313-T337 HydrophobicContact CG-CG2 4.27Å
314	L	71.1	Confident	67.4	Low	131 Å²	131	99.6 Å²	99.6	69%	0.686	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-62.6	125.5	177.9	-70	174.6	0	0	0	110.7	L310	L310-L314 HydrophobicContact CD1-CD1 4.39Å; L310-L314 HydrophobicContact CD1-CD2 4.45Å; L310-L314 HydrophobicContact CD1-CG 3.91Å
315	P	58.4	Low	64.6	Low	99 Å²	99	108.3 Å²	108.3	64%	0.643	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-65.4	151	179.5	27.5	-34.7	0	0	0	111.1	Q317	P315-Q317 PolarHBondContact O-N 2.85Å
316	P	55.8	Low	61.9	Low	102 Å²	102	109 Å²	109	66%	0.662	52%	0.524	S	S	*	.			trans	-66.7	106.3	177.4	27.3	-33.7	0	0	0	110.6	K318	P316-K318 PolarHBondContact O-N 2.59Å; P316-K318 VanDerWaalsContact O-N 3.1Å
317	Q	50.7	Low	59.4	Low	157 Å²	157	117.3 Å²	117.3	73%	0.734	57%	0.568	S	S	*	*			trans	-52.8	115.5	173.4	-76.7	-176	-20.7	0	0	110.9	P315 N319	P315-Q317 PolarHBondContact O-N 2.85Å; Q317-N319 PolarHBondContact O-N 3.44Å
318	K	41.7	Very low	57.2	Low	198 Å²	198	120.1 Å²	120.1	86%	0.861	60%	0.597	S	S	*	*			trans	-80	56.1	176.4	-69.1	-175	176.5	179.3	0	111.6	P316 F320	P316-K318 PolarHBondContact O-N 2.59Å; P316-K318 VanDerWaalsContact O-N 3.1Å; K318-F320 PolarHBondContact O-N 3.41Å
319	N	40.2	Very low	55.6	Low	97 Å²	97	120.3 Å²	120.3	52%	0.519	60%	0.601	S	S	.	*			trans	-69.4	115.8	174.2	-70	6	0	0	0	108.9	Q317 F321 A322	Q317-N319 PolarHBondContact O-N 3.44Å; N319-F321 PolarHBondContact O-N 3.11Å; N319-F321 VanDerWaalsContact O-N 3.12Å; N319-A322 HydrophobicContact CB-CB 4.26Å; N319-A322 VanDerWaalsContact O-CB 3.22Å; N319-A322 WeakPolarHBondContact O-CB 3.28Å; N319-A322 PolarHBondContact O-N 3.42Å
320	F	40.3	Very low	54.6	Low	191 Å²	191	123.7 Å²	123.7	84%	0.838	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-50.8	-39.5	-175.5	-114.2	-105.5	0	0	0	113.4	K318 A322	K318-F320 PolarHBondContact O-N 3.41Å; F320-A322 VanDerWaalsContact C-N 3.27Å; F320-A322 PolarHBondContact O-N 2.82Å
321	F	37.8	Very low	54.2	Low	175 Å²	175	122.9 Å²	122.9	77%	0.768	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-71.3	-15.7	179.5	-62.3	-77.4	0	0	0	114.5	N319 H323 Y324 F325	N319-F321 PolarHBondContact O-N 3.11Å; N319-F321 VanDerWaalsContact O-N 3.12Å; F321-H323 PolarHBondContact O-N 3.17Å; F321-H323 VanDerWaalsContact O-N 3.07Å; F321-Y324 PolarHBondContact O-N 3.35Å; F321-Y324 VanDerWaalsContact O-N 3.11Å; F321-F325 PolarHBondContact O-N 2.89Å
322	A	41.7	Very low	53.9	Low	42 Å²	42	125.5 Å²	125.5	35%	0.347	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-73.4	5.7	-179.6	0	0	0	0	0	114	N319 F320 T326	N319-A322 HydrophobicContact CB-CB 4.26Å; N319-A322 VanDerWaalsContact O-CB 3.22Å; N319-A322 WeakPolarHBondContact O-CB 3.28Å; N319-A322 PolarHBondContact O-N 3.42Å; F320-A322 VanDerWaalsContact C-N 3.27Å; F320-A322 PolarHBondContact O-N 2.82Å; A322-T326 WeakPolarHBondContact O-CG2 3.41Å
323	H	42.1	Very low	53.9	Low	174 Å²	174	118.7 Å²	118.7	81%	0.806	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-92.6	-22.4	167.3	-74.2	11.2	0	0	0	113.3	F321	F321-H323 PolarHBondContact O-N 3.17Å; F321-H323 VanDerWaalsContact O-N 3.07Å
324	Y	40.1	Very low	53.8	Low	190 Å²	190	120 Å²	120	75%	0.745	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-34	-177.4	-66.5	-84.1	0	0	0	113.1	F321	F321-Y324 PolarHBondContact O-N 3.35Å; F321-Y324 VanDerWaalsContact O-N 3.11Å
325	F	37.6	Very low	54.5	Low	184 Å²	184	115.5 Å²	115.5	81%	0.807	58%	0.584	S	S	*	*			trans	-135.5	94.3	179.9	-61.6	-79.9	0	0	0	112.6	F321	F321-F325 PolarHBondContact O-N 2.89Å
326	T	35.5	Very low	56.1	Low	72 Å²	72	113.4 Å²	113.4	44%	0.442	56%	0.564	S	S	.	*			trans	-103.3	71.8	170.9	64.6	0	0	0	0	112.5	A322 G328 K330	A322-T326 WeakPolarHBondContact O-CG2 3.41Å; T326-G328 PolarHBondContact O-N 3Å; T326-K330 WeakPolarHBondContact OG1-CE 3.43Å; T326-K330 PolarHBondContact OG1-NZ 3.27Å
327	L	39.5	Very low	57.9	Low	188 Å²	188	108.5 Å²	108.5	98%	0.984	53%	0.532	S	S	*	.			trans	-81.6	67.6	171.9	-151.2	80	0	0	0	110.6
328	G	48.5	Very low	60.1	Low	59 Å²	59	102 Å²	102	61%	0.608	50%	0.501	S	S	*	.	S	Bend	trans	-173	173.4	-174.6	0	0	0	0	0	115.8	T326 K330	T326-G328 PolarHBondContact O-N 3Å; G328-K330 PolarHBondContact O-N 2.75Å
329	S	62	Low	62.5	Low	28 Å²	28	96.2 Å²	96.2	20%	0.196	48%	0.483	C	S	.	.			trans	-76.5	113.2	177.9	-166.3	0	0	0	0	111	K295 W298 F331	K295-S329 WeakPolarHBondContact CE-OG 3.5Å; W298-S329 WeakPolarHBondContact CZ3-OG 3.45Å; S329-F331 PolarHBondContact O-N 3.29Å
330	K	68.3	Low	65	Low	166 Å²	166	94.9 Å²	94.9	72%	0.722	47%	0.473	S	S	*	.			trans	-71.7	13	175.1	-58.3	-166.9	178.9	-168	0	114.3	T326 G328	T326-K330 WeakPolarHBondContact OG1-CE 3.43Å; T326-K330 PolarHBondContact OG1-NZ 3.27Å; G328-K330 PolarHBondContact O-N 2.75Å
331	F	78.4	Confident	67.6	Low	22 Å²	22	85.9 Å²	85.9	10%	0.096	43%	0.434	C	S	.	.			trans	-75.4	144.4	177.6	176.9	-104.7	0	0	0	111.2	W298 K299 V302 E303 S329	W298-F331 HydrophobicContact CH2-CB 4.49Å; W298-F331 HydrophobicContact CH2-CD1 4.35Å; W298-F331 HydrophobicContact CZ3-CB 4.07Å; W298-F331 AromaticContact CZ3-CD1 3.87Å; W298-F331 HydrophobicContact CZ3-CD1 3.87Å; W298-F331 HydrophobicContact CZ3-CG 4.4Å; K299-F331 HydrophobicContact CB-CE1 4.37Å; K299-F331 HydrophobicContact CD-CG 4.48Å; K299-F331 VanDerWaalsContact CE-CD2 3.44Å; K299-F331 HydrophobicContact CG-CD1 3.83Å; K299-F331 HydrophobicContact CG-CE1 4.04Å; K299-F331 HydrophobicContact CG-CG 4.12Å; V302-F331 HydrophobicContact CG1-CE1 4.37Å; E303-F331 HydrophobicContact CG-CE1 3.87Å; E303-F331 HydrophobicContact CG-CZ 3.73Å; E303-F331 WeakPolarHBondContact OE1-CZ 3.34Å; S329-F331 PolarHBondContact O-N 3.29Å
332	R	76.3	Confident	70.3	Confident	150 Å²	150	78.6 Å²	78.6	57%	0.566	40%	0.404	S	S	*	.			trans	-140.9	146.1	171.5	-67.5	-64.7	179.8	-100.1	10.8	108
333	Y	84	Confident	72.7	Confident	28 Å²	28	81 Å²	81	11%	0.11	41%	0.408	C	S	.	.			trans	-61.7	149.1	166.6	176.6	-92.4	0	0	0	110	F109 E303 T306 P313 G335 R336	F109-Y333 HydrophobicContact CE2-CE2 4.15Å; F109-Y333 HydrophobicContact CZ-CE2 4.01Å; E303-Y333 HydrophobicContact CB-CD2 4.16Å; E303-Y333 HydrophobicContact CG-CD2 4.13Å; T306-Y333 HydrophobicContact CG2-CD1 3.36Å; T306-Y333 HydrophobicContact CG2-CD2 4.4Å; T306-Y333 HydrophobicContact CG2-CE1 4.04Å; T306-Y333 HydrophobicContact CG2-CG 3.59Å; P313-Y333 HydrophobicContact CB-CD1 4.13Å; P313-Y333 HydrophobicContact CG-CD1 3.98Å; P313-Y333 HydrophobicContact CG-CE1 4.07Å; Y333-G335 WeakPolarHBondContact CE1-O 3.39Å; Y333-R336 PolarHBondContact OH-O 3.02Å
334	C	79	Confident	75.1	Confident	68 Å²	68	76.8 Å²	76.8	46%	0.459	39%	0.386	S	S	.	.			trans	-146.7	135	177.8	-165.3	0	0	0	0	107.7	N88	N88-C334 WeakPolarHBondContact ND2-CB 3.35Å
335	G	86	Confident	77.6	Confident	35 Å²	35	67.8 Å²	67.8	36%	0.361	35%	0.35	S	S	.	.	S	Bend	trans	126.6	-178.6	-165.3	0	0	0	0	0	111.4	P313 Y333	P313-G335 WeakPolarHBondContact CG-O 3.47Å; Y333-G335 WeakPolarHBondContact CE1-O 3.39Å
336	R	92.5	Very high	80.2	Confident	55 Å²	55	64.6 Å²	64.6	21%	0.208	34%	0.336	C	S	.	.			trans	-92.4	145.7	173.3	-68.2	174.3	-70.7	-153.6	6.6	110.1	T65 D68 F307 Y333 Q340 Y344	T65-R336 PolarHBondContact O-NH2 3.23Å; D68-R336 WeakPolarHBondContact OD1-CB 3.33Å; D68-R336 PolarHBondContact OD1-N 3.49Å; D68-R336 IonicContact OD1-NE 2.8Å; D68-R336 PolarHBondContact OD1-NE 3.37Å; D68-R336 IonicContact OD2-CZ 2.92Å; D68-R336 IonicContact OD2-NE 3.69Å; D68-R336 PolarHBondContact OD2-NE 2.86Å; D68-R336 IonicContact OD2-NH2 2.68Å; D68-R336 PolarHBondContact OD2-NH2 2.85Å; F307-R336 WeakPolarHBondContact CD2-O 3.44Å; F307-R336 WeakPolarHBondContact CE2-O 3.25Å; Y333-R336 PolarHBondContact OH-O 3.02Å; R336-Q340 HydrophobicContact CB-CB 3.77Å; R336-Q340 HydrophobicContact CG-CB 4.23Å; R336-Y344 VanDerWaalsContact NH1-CE2 3.29Å
337	T	94.9	Very high	82.9	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.341	C	S	.	.			trans	-72.4	171.1	170.9	72.3	0	0	0	0	111.2	T306 L310 D311 P313 V339 Q340 S341	T306-T337 HydrophobicContact CG2-CG2 4.42Å; T306-T337 WeakPolarHBondContact O-CG2 3.36Å; L310-T337 HydrophobicContact CB-CG2 4.46Å; L310-T337 WeakPolarHBondContact O-CB 3.37Å; L310-T337 VanDerWaalsContact O-CG2 3.23Å; L310-T337 WeakPolarHBondContact O-CG2 3.06Å; L310-T337 PolarHBondContact O-OG1 2.82Å; D311-T337 PolarHBondContact O-OG1 3.08Å; P313-T337 HydrophobicContact CG-CG2 4.27Å; T337-V339 VanDerWaalsContact C-N 3.27Å; T337-V339 PolarHBondContact O-N 3.11Å; T337-Q340 VanDerWaalsContact N-OE1 3.08Å; T337-Q340 PolarHBondContact O-N 2.95Å; T337-Q340 VanDerWaalsContact O-N 3.15Å; T337-S341 WeakPolarHBondContact O-CB 2.94Å; T337-S341 PolarHBondContact O-N 3.33Å; T337-S341 PolarHBondContact O-OG 2.83Å
338	E	95.3	Very high	85.3	Confident	19 Å²	19	63.5 Å²	63.5	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-43.3	179.3	-167.4	-165.9	-130.1	0	0	110.9	K116 F307 F308 Q340 S341 V342	K116-E338 VanDerWaalsContact CD-CD 3.48Å; K116-E338 HydrophobicContact CD-CG 4.19Å; K116-E338 WeakPolarHBondContact CD-OE1 3.25Å; K116-E338 IonicContact NZ-OE1 2.77Å; K116-E338 PolarHBondContact NZ-OE1 2.84Å; K116-E338 IonicContact NZ-OE2 2.75Å; K116-E338 PolarHBondContact NZ-OE2 3Å; F307-E338 HydrophobicContact CD1-CB 4.03Å; F307-E338 HydrophobicContact CE1-CB 3.75Å; F307-E338 HydrophobicContact CE1-CG 4.04Å; F307-E338 HydrophobicContact CZ-CB 4.13Å; F307-E338 HydrophobicContact CZ-CG 4.48Å; F307-E338 WeakPolarHBondContact O-CB 3.42Å; F307-E338 PolarHBondContact O-N 3.4Å; F308-E338 HydrophobicContact CD1-CB 4.35Å; F308-E338 HydrophobicContact CD1-CG 4.36Å; F308-E338 WeakPolarHBondContact CD1-OE1 3.3Å; F308-E338 HydrophobicContact CE1-CG 4.48Å; F308-E338 WeakPolarHBondContact CE1-OE1 3.06Å; E338-Q340 PolarHBondContact O-N 3.35Å; E338-S341 PolarHBondContact O-N 3.21Å; E338-V342 HydrophobicContact CG-CG2 4.46Å; E338-V342 WeakPolarHBondContact O-CB 3.48Å; E338-V342 VanDerWaalsContact O-CG2 3.29Å; E338-V342 WeakPolarHBondContact O-CG2 3.44Å; E338-V342 PolarHBondContact O-N 3.37Å
339	V	92.3	Very high	87.2	Confident	77 Å²	77	61.4 Å²	61.4	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-57.7	-47.7	176.4	-178.3	0	0	0	0	111.4	T337 Q343	T337-V339 VanDerWaalsContact C-N 3.27Å; T337-V339 PolarHBondContact O-N 3.11Å; V339-Q343 WeakPolarHBondContact O-CB 3.39Å; V339-Q343 PolarHBondContact O-N 3.46Å
340	Q	93.9	Very high	88.3	Confident	69 Å²	69	63.3 Å²	63.3	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-70	-32.1	178.9	-65.4	-179.5	-50.1	0	0	112.8	D311 R336 T337 E338 Y344	D311-Q340 WeakPolarHBondContact O-CG 3.37Å; R336-Q340 HydrophobicContact CB-CB 3.77Å; R336-Q340 HydrophobicContact CG-CB 4.23Å; T337-Q340 VanDerWaalsContact N-OE1 3.08Å; T337-Q340 PolarHBondContact O-N 2.95Å; T337-Q340 VanDerWaalsContact O-N 3.15Å; E338-Q340 PolarHBondContact O-N 3.35Å; Q340-Y344 VanDerWaalsContact O-CB 3.3Å; Q340-Y344 WeakPolarHBondContact O-CB 3.44Å; Q340-Y344 PolarHBondContact O-N 2.88Å
341	S	94.3	Very high	89	Confident	3 Å²	3	62 Å²	62	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-71.2	-47.5	178.5	-54.8	0	0	0	0	110.7	T337 E338 Q343 Y344 G345	T337-S341 WeakPolarHBondContact O-CB 2.94Å; T337-S341 PolarHBondContact O-N 3.33Å; T337-S341 PolarHBondContact O-OG 2.83Å; E338-S341 PolarHBondContact O-N 3.21Å; S341-Q343 VanDerWaalsContact C-N 3.35Å; S341-Q343 PolarHBondContact O-N 2.86Å; S341-Y344 PolarHBondContact O-N 3.41Å; S341-G345 PolarHBondContact O-N 2.98Å
342	V	94.3	Very high	89.1	Confident	22 Å²	22	68 Å²	68	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-42.6	174.6	172.2	0	0	0	0	111.3	K116 E338 G345 K346	K116-V342 HydrophobicContact CB-CG2 3.81Å; K116-V342 HydrophobicContact CD-CG2 4.47Å; K116-V342 HydrophobicContact CG-CG2 4.25Å; E338-V342 HydrophobicContact CG-CG2 4.46Å; E338-V342 WeakPolarHBondContact O-CB 3.48Å; E338-V342 VanDerWaalsContact O-CG2 3.29Å; E338-V342 WeakPolarHBondContact O-CG2 3.44Å; E338-V342 PolarHBondContact O-N 3.37Å; V342-G345 PolarHBondContact O-N 2.98Å; V342-K346 HydrophobicContact CG1-CD 4.45Å; V342-K346 WeakPolarHBondContact O-CG 3.38Å; V342-K346 PolarHBondContact O-N 3.22Å
343	Q	92.4	Very high	89.6	Confident	91 Å²	91	63 Å²	63	43%	0.425	31%	0.313	S	S	.	.	H	α-helix	trans	-66.8	-44.8	178.4	-177.3	56.9	27.5	0	0	111.9	V339 S341 G345 K346 E347	V339-Q343 WeakPolarHBondContact O-CB 3.39Å; V339-Q343 PolarHBondContact O-N 3.46Å; S341-Q343 VanDerWaalsContact C-N 3.35Å; S341-Q343 PolarHBondContact O-N 2.86Å; Q343-G345 VanDerWaalsContact C-N 3.32Å; Q343-G345 PolarHBondContact O-N 3.07Å; Q343-K346 WeakPolarHBondContact O-CB 3.32Å; Q343-K346 PolarHBondContact O-N 2.81Å; Q343-E347 PolarHBondContact NE2-OE1 3.45Å; Q343-E347 PolarHBondContact O-N 3.15Å
344	Y	92.4	Very high	89.6	Confident	87 Å²	87	68.5 Å²	68.5	34%	0.341	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-39.4	174.5	-175.8	-91.3	0	0	0	112	T65 R336 Q340 S341 K346 E347 K348	T65-Y344 HydrophobicContact CG2-CD1 4.05Å; T65-Y344 HydrophobicContact CG2-CE1 3.51Å; R336-Y344 VanDerWaalsContact NH1-CE2 3.29Å; Q340-Y344 VanDerWaalsContact O-CB 3.3Å; Q340-Y344 WeakPolarHBondContact O-CB 3.44Å; Q340-Y344 PolarHBondContact O-N 2.88Å; S341-Y344 PolarHBondContact O-N 3.41Å; Y344-K346 VanDerWaalsContact C-N 3.33Å; Y344-K346 PolarHBondContact O-N 3.44Å; Y344-E347 CarbonylContact O-C 3.6Å; Y344-E347 PolarHBondContact O-N 3.32Å; Y344-E347 VanDerWaalsContact O-N 3.13Å; Y344-K348 HydrophobicContact CD1-CB 4.02Å; Y344-K348 HydrophobicContact CD1-CG 4.22Å; Y344-K348 HydrophobicContact CD2-CG 4Å; Y344-K348 HydrophobicContact CE1-CB 3.75Å; Y344-K348 HydrophobicContact CE1-CG 3.96Å; Y344-K348 HydrophobicContact CE2-CB 4.43Å; Y344-K348 HydrophobicContact CE2-CG 3.71Å; Y344-K348 HydrophobicContact CG-CB 4.49Å; Y344-K348 HydrophobicContact CG-CG 4.26Å; Y344-K348 WeakPolarHBondContact O-CB 3.33Å; Y344-K348 PolarHBondContact O-N 2.8Å
345	G	92.1	Very high	90.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-55.6	-46.9	172.1	0	0	0	0	0	111.5	S341 V342 Q343 E347 K348 A349	S341-G345 PolarHBondContact O-N 2.98Å; V342-G345 PolarHBondContact O-N 2.98Å; Q343-G345 VanDerWaalsContact C-N 3.32Å; Q343-G345 PolarHBondContact O-N 3.07Å; G345-E347 PolarHBondContact O-N 2.8Å; G345-K348 PolarHBondContact O-N 3.43Å; G345-A349 WeakPolarHBondContact O-CA 3.29Å; G345-A349 WeakPolarHBondContact O-CB 3.49Å; G345-A349 PolarHBondContact O-N 3.38Å
346	K	91.8	Very high	90	Very high	117 Å²	117	69.4 Å²	69.4	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-31.7	177.2	-71.1	169.1	-178.1	176.5	0	113.6	Q118 V342 Q343 Y344	Q118-K346 HydrophobicContact CG-CG 4.26Å; V342-K346 HydrophobicContact CG1-CD 4.45Å; V342-K346 WeakPolarHBondContact O-CG 3.38Å; V342-K346 PolarHBondContact O-N 3.22Å; Q343-K346 WeakPolarHBondContact O-CB 3.32Å; Q343-K346 PolarHBondContact O-N 2.81Å; Y344-K346 VanDerWaalsContact C-N 3.33Å; Y344-K346 PolarHBondContact O-N 3.44Å
347	E	91.8	Very high	89.8	Confident	115 Å²	115	69.9 Å²	69.9	54%	0.537	35%	0.354	S	S	.	.	H	α-helix	trans	-89.8	-22.8	-178.3	-69.6	173.2	-158	0	0	114.8	Q343 Y344 G345	Q343-E347 PolarHBondContact NE2-OE1 3.45Å; Q343-E347 PolarHBondContact O-N 3.15Å; Y344-E347 CarbonylContact O-C 3.6Å; Y344-E347 PolarHBondContact O-N 3.32Å; Y344-E347 VanDerWaalsContact O-N 3.13Å; G345-E347 PolarHBondContact O-N 2.8Å
348	K	91.3	Very high	89.2	Confident	122 Å²	122	71.5 Å²	71.5	53%	0.53	37%	0.365	S	S	.	.	H	α-helix	trans	-135	-12.3	-166.7	-60.9	-63.7	173.1	-162.1	0	115.9	T65 Y344 G345 N350	T65-K348 HydrophobicContact CG2-CB 3.82Å; Y344-K348 HydrophobicContact CD1-CB 4.02Å; Y344-K348 HydrophobicContact CD1-CG 4.22Å; Y344-K348 HydrophobicContact CD2-CG 4Å; Y344-K348 HydrophobicContact CE1-CB 3.75Å; Y344-K348 HydrophobicContact CE1-CG 3.96Å; Y344-K348 HydrophobicContact CE2-CB 4.43Å; Y344-K348 HydrophobicContact CE2-CG 3.71Å; Y344-K348 HydrophobicContact CG-CB 4.49Å; Y344-K348 HydrophobicContact CG-CG 4.26Å; Y344-K348 WeakPolarHBondContact O-CB 3.33Å; Y344-K348 PolarHBondContact O-N 2.8Å; G345-K348 PolarHBondContact O-N 3.43Å; K348-N350 PolarHBondContact O-N 3.32Å
349	A	87.3	Confident	88.1	Confident	16 Å²	16	74.9 Å²	74.9	13%	0.132	39%	0.389	C	S	.	.			trans	-53.7	130.2	179.1	0	0	0	0	0	111.9	Q118 E119 G345 K351	Q118-A349 HydrophobicContact CB-CB 4.03Å; E119-A349 HydrophobicContact CG-CB 3.44Å; E119-A349 VanDerWaalsContact CG-CB 3.44Å; G345-A349 WeakPolarHBondContact O-CA 3.29Å; G345-A349 WeakPolarHBondContact O-CB 3.49Å; G345-A349 PolarHBondContact O-N 3.38Å; A349-K351 VanDerWaalsContact C-N 3.33Å; A349-K351 HydrophobicContact CB-CG 4.37Å; A349-K351 PolarHBondContact O-N 2.76Å
350	N	86.4	Confident	86.9	Confident	67 Å²	67	72 Å²	72	36%	0.358	37%	0.372	S	S	.	.			trans	-78.6	85	171	-171.2	-1.1	0	0	0	109.2	E119 K348 D352 R353	E119-N350 PolarHBondContact OE1-N 2.79Å; K348-N350 PolarHBondContact O-N 3.32Å; N350-D352 VanDerWaalsContact C-N 3.27Å; N350-D352 PolarHBondContact O-N 2.95Å; N350-R353 HydrophobicContact CB-CB 4.16Å; N350-R353 WeakPolarHBondContact O-CB 3.18Å; N350-R353 PolarHBondContact O-N 2.99Å; N350-R353 PolarHBondContact OD1-N 3.32Å
351	K	81.4	Confident	85.2	Confident	140 Å²	140	74.6 Å²	74.6	61%	0.609	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.1	-176.4	-66.2	179.8	-176.6	175.2	0	113.2	A349 R353	A349-K351 VanDerWaalsContact C-N 3.33Å; A349-K351 HydrophobicContact CB-CG 4.37Å; A349-K351 PolarHBondContact O-N 2.76Å; K351-R353 VanDerWaalsContact C-N 3.33Å
352	D	80.6	Confident	82.9	Confident	147 Å²	147	78 Å²	78	79%	0.786	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	15.3	-177.2	-48.5	-61.6	0	0	0	112.1	N350 V354	N350-D352 VanDerWaalsContact C-N 3.27Å; N350-D352 PolarHBondContact O-N 2.95Å; D352-V354 PolarHBondContact O-N 2.9Å; D352-V354 VanDerWaalsContact O-N 3.11Å
353	R	87.3	Confident	80.5	Confident	45 Å²	45	81.7 Å²	81.7	17%	0.17	42%	0.423	C	S	.	.			trans	-69.6	106	-179	-175.5	178	168.3	175.4	-3.1	111.5	L62 D63 Y121 N350 K351 F355	L62-R353 VanDerWaalsContact O-CZ 3.28Å; L62-R353 PolarHBondContact O-NH1 2.9Å; L62-R353 PolarHBondContact O-NH2 3.44Å; D63-R353 VanDerWaalsContact C-NH1 3.28Å; D63-R353 PolarHBondContact O-NH1 3.08Å; D63-R353 IonicContact OD2-NH1 3.23Å; Y121-R353 VanDerWaalsContact CZ-NH2 3.34Å; N350-R353 HydrophobicContact CB-CB 4.16Å; N350-R353 WeakPolarHBondContact O-CB 3.18Å; N350-R353 PolarHBondContact O-N 2.99Å; N350-R353 PolarHBondContact OD1-N 3.32Å; K351-R353 VanDerWaalsContact C-N 3.33Å; R353-F355 HydrophobicContact CG-CD1 4.44Å; R353-F355 WeakPolarHBondContact O-CD1 3.3Å
354	V	84.1	Confident	77.7	Confident	143 Å²	143	81.6 Å²	81.6	87%	0.867	44%	0.437	S	S	*	.			trans	-74.3	132.6	163.9	-175.3	0	0	0	0	109.8	D352	D352-V354 PolarHBondContact O-N 2.9Å; D352-V354 VanDerWaalsContact O-N 3.11Å
355	F	89.3	Confident	75.1	Confident	32 Å²	32	88.2 Å²	88.2	14%	0.14	46%	0.462	C	S	.	.			trans	-145.9	153.4	173.1	61.4	-88.3	0	0	0	110.8	E120 Y121 Y124 R353 R357	E120-F355 HydrophobicContact CB-CE1 4.23Å; E120-F355 HydrophobicContact CG-CE1 4.03Å; E120-F355 HydrophobicContact CG-CZ 4.05Å; Y121-F355 HydrophobicContact CD2-CB 4.17Å; Y121-F355 AromaticContact CD2-CD1 3.76Å; Y121-F355 HydrophobicContact CD2-CD1 3.76Å; Y121-F355 AromaticContact CD2-CD2 3.71Å; Y121-F355 HydrophobicContact CD2-CD2 3.71Å; Y121-F355 HydrophobicContact CD2-CE1 4.05Å; Y121-F355 AromaticContact CD2-CE2 4Å; Y121-F355 HydrophobicContact CD2-CE2 4Å; Y121-F355 AromaticContact CD2-CG 3.59Å; Y121-F355 HydrophobicContact CD2-CG 3.59Å; Y121-F355 HydrophobicContact CD2-CZ 4.16Å; Y121-F355 HydrophobicContact CE2-CB 4.33Å; Y121-F355 HydrophobicContact CE2-CD2 4.06Å; Y121-F355 HydrophobicContact CE2-CG 4.11Å; Y121-F355 HydrophobicContact CG-CD1 4.44Å; Y124-F355 HydrophobicContact CD1-CD2 4.09Å; Y124-F355 AromaticContact CD1-CE2 3.47Å; Y124-F355 HydrophobicContact CD1-CE2 3.47Å; Y124-F355 VanDerWaalsContact CD1-CE2 3.47Å; Y124-F355 HydrophobicContact CD1-CZ 4.29Å; Y124-F355 HydrophobicContact CD2-CE2 4.25Å; Y124-F355 HydrophobicContact CE1-CD2 4.46Å; Y124-F355 HydrophobicContact CE1-CE2 4.08Å; Y124-F355 AromaticContact CG-CE2 3.57Å; Y124-F355 HydrophobicContact CG-CE2 3.57Å; Y124-F355 HydrophobicContact CG-CZ 4.05Å; R353-F355 HydrophobicContact CG-CD1 4.44Å; R353-F355 WeakPolarHBondContact O-CD1 3.3Å; F355-R357 HydrophobicContact CE2-CG 4.02Å
356	A	85.1	Confident	72.4	Confident	90 Å²	90	96.8 Å²	96.8	74%	0.744	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-78.6	135	174.1	0	0	0	0	0	110.7
357	R	87.6	Confident	69.9	Low	65 Å²	65	98.6 Å²	98.6	25%	0.245	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-85.7	129.5	171.9	-72	170.8	157.8	82.8	3.7	109.4	E120 Y124 E204 F355	E120-R357 IonicContact OE1-CZ 3.03Å; E120-R357 VanDerWaalsContact OE1-CZ 3.29Å; E120-R357 IonicContact OE1-NH1 3.75Å; E120-R357 PolarHBondContact OE1-NH1 3.15Å; E120-R357 IonicContact OE1-NH2 3.48Å; E120-R357 PolarHBondContact OE1-NH2 3.29Å; Y124-R357 HydrophobicContact CD2-CG 4.34Å; Y124-R357 HydrophobicContact CE2-CB 4.24Å; Y124-R357 HydrophobicContact CE2-CG 3.87Å; E204-R357 IonicContact OE1-CZ 2.68Å; E204-R357 IonicContact OE1-NE 2.77Å; E204-R357 PolarHBondContact OE1-NE 2.99Å; E204-R357 IonicContact OE1-NH2 2.76Å; E204-R357 IonicContact OE2-CZ 2.67Å; E204-R357 IonicContact OE2-NE 3.84Å; E204-R357 IonicContact OE2-NH2 3.34Å; E204-R357 PolarHBondContact OE2-NH2 2.83Å; F355-R357 HydrophobicContact CE2-CG 4.02Å
358	S	81.7	Confident	67.5	Low	35 Å²	35	98.1 Å²	98.1	25%	0.245	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-81	119.2	176.7	-50	0	0	0	0	110.2	D37 Y124	D37-S358 VanDerWaalsContact CB-OG 3.29Å; D37-S358 WeakPolarHBondContact CB-OG 3.47Å; Y124-S358 PolarHBondContact OH-N 3.27Å; Y124-S358 PolarHBondContact OH-O 2.72Å
359	P	72.3	Confident	65.2	Low	89 Å²	89	96.9 Å²	96.9	58%	0.578	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-70.4	153.3	-178.4	29.4	-35.6	0	0	0	111.7	K361	P359-K361 PolarHBondContact O-N 3Å
360	S	67.6	Low	63.2	Low	17 Å²	17	98.4 Å²	98.4	12%	0.119	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-60.1	131	166.7	-60.1	0	0	0	0	109.7	K131 E157	K131-S360 PolarHBondContact NZ-OG 2.9Å; E157-S360 PolarHBondContact OE1-OG 2.68Å; E157-S360 WeakPolarHBondContact OE2-CB 3.44Å; E157-S360 PolarHBondContact OE2-N 2.73Å; E157-S360 PolarHBondContact OE2-OG 3.35Å
361	K	57.3	Low	61	Low	123 Å²	123	102.3 Å²	102.3	54%	0.535	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-80.3	138.5	-175.1	-64	178.7	-175.8	175	0	110	N38 P359	N38-K361 PolarHBondContact O-NZ 3.45Å; P359-K361 PolarHBondContact O-N 3Å
362	P	47.5	Very low	59	Low	76 Å²	76	99.4 Å²	99.4	49%	0.494	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-50.4	159.6	169.7	-32.6	38.5	0	0	0	114	D173 A364	D173-P362 HydrophobicContact CB-CB 4.01Å; D173-P362 HydrophobicContact CB-CG 4.41Å; D173-P362 CarbonylContact O-C 3.57Å; D173-P362 VanDerWaalsContact O-CA 3.23Å; D173-P362 WeakPolarHBondContact O-CA 3.33Å; P362-A364 PolarHBondContact O-N 2.9Å
363	L	42.3	Very low	57.2	Low	98 Å²	98	94.5 Å²	94.5	51%	0.513	50%	0.5	S	S	.	.			trans	-64.3	55.4	-172.2	-164.1	81.6	0	0	0	115.6	D173 R365	D173-L363 PolarHBondContact O-N 2.82Å; L363-R365 PolarHBondContact O-N 3.38Å
364	A	34.7	Very low	54.8	Low	89 Å²	89	96.2 Å²	96.2	74%	0.736	52%	0.518	S	S	*	.			trans	-69.6	99	168.9	0	0	0	0	0	109.7	P362 K366	P362-A364 PolarHBondContact O-N 2.9Å; A364-K366 VanDerWaalsContact C-N 3.33Å; A364-K366 PolarHBondContact O-N 3.08Å
365	R	37.3	Very low	52.4	Low	227 Å²	227	99.2 Å²	99.2	86%	0.857	51%	0.514	S	S	*	.			trans	-62.1	83.5	178.1	-79.1	-178.2	169.4	159.1	-2.8	113.1	L363	L363-R365 PolarHBondContact O-N 3.38Å
366	K	34.9	Very low	49.8	Very low	180 Å²	180	104.2 Å²	104.2	78%	0.783	54%	0.542	S	S	*	.			trans	-165.2	138.2	147.8	-113.4	170.6	-177.8	-176.4	0	110.9	A364	A364-K366 VanDerWaalsContact C-N 3.33Å; A364-K366 PolarHBondContact O-N 3.08Å
367	L	39.4	Very low	47.1	Very low	154 Å²	154	101.7 Å²	101.7	81%	0.806	52%	0.519	S	S	*	.			trans	-57.8	141.3	159.8	-139.9	77.5	0	0	0	108.2	D369	L367-D369 PolarHBondContact O-N 3.45Å
368	M	42.8	Very low	44.5	Very low	106 Å²	106	104.3 Å²	104.3	52%	0.522	54%	0.537	S	S	.	.			trans	-66.6	102	177.3	-83.6	-172.2	168.4	0	0	110.5	L34 N38	L34-M368 HydrophobicContact CD1-SD 4.49Å; N38-M368 HydrophobicContact CB-CE 4.45Å
369	D	41.9	Very low	42.1	Very low	95 Å²	95	105.4 Å²	105.4	51%	0.508	54%	0.544	S	S	.	.			trans	-89.4	136.1	168.2	-159.7	-25.5	0	0	0	109.8	L367 E371 V372	L367-D369 PolarHBondContact O-N 3.45Å; D369-E371 PolarHBondContact O-N 2.84Å; D369-E371 PolarHBondContact OD1-N 3.13Å; D369-V372 HydrophobicContact CB-CG2 4.45Å; D369-V372 WeakPolarHBondContact O-CB 3.23Å; D369-V372 PolarHBondContact O-N 3.19Å
370	W	46	Very low	40.1	Very low	48 Å²	48	108.1 Å²	108.1	18%	0.182	55%	0.554	C	S	.	*	H	α-helix	trans	-65.7	-19.5	-178.2	-82.9	161.4	0	0	0	113.5	L34 V40 N102 V372 V373 S374	L34-W370 HydrophobicContact CB-CH2 3.93Å; L34-W370 HydrophobicContact CB-CZ2 4.33Å; L34-W370 HydrophobicContact CD1-CH2 4.2Å; L34-W370 HydrophobicContact CD2-CH2 4.42Å; L34-W370 HydrophobicContact CG-CH2 4.41Å; V40-W370 HydrophobicContact CG2-CH2 3.84Å; V40-W370 HydrophobicContact CG2-CZ3 3.92Å; N102-W370 HydrophobicContact CB-CZ2 3.99Å; W370-V372 PolarHBondContact O-N 3.28Å; W370-V373 HydrophobicContact CE3-CB 3.93Å; W370-V373 HydrophobicContact CE3-CG1 4.38Å; W370-V373 HydrophobicContact CE3-CG2 3.77Å; W370-V373 HydrophobicContact CZ3-CB 4.17Å; W370-V373 HydrophobicContact CZ3-CG1 4.2Å; W370-V373 HydrophobicContact CZ3-CG2 3.86Å; W370-S374 WeakPolarHBondContact O-CB 3.21Å; W370-S374 PolarHBondContact O-N 3.06Å; W370-S374 VanDerWaalsContact O-N 3.16Å; W370-S374 PolarHBondContact O-OG 3.36Å
371	E	39	Very low	38.4	Very low	149 Å²	149	113.8 Å²	113.8	70%	0.696	58%	0.583	S	S	*	*	H	α-helix	trans	-63.8	-26.5	170.4	-62.1	-158.7	156.3	0	0	113.2	D369	D369-E371 PolarHBondContact O-N 2.84Å; D369-E371 PolarHBondContact OD1-N 3.13Å
372	V	41.3	Very low	37.1	Very low	79 Å²	79	119.2 Å²	119.2	48%	0.479	60%	0.6	S	S	.	*	H	α-helix	trans	-80.2	-46.8	178.2	-176.2	0	0	0	0	110.8	D369 W370 S374 R375	D369-V372 HydrophobicContact CB-CG2 4.45Å; D369-V372 WeakPolarHBondContact O-CB 3.23Å; D369-V372 PolarHBondContact O-N 3.19Å; W370-V372 PolarHBondContact O-N 3.28Å; V372-S374 VanDerWaalsContact C-N 3.29Å; V372-S374 PolarHBondContact O-N 3.1Å; V372-R375 PolarHBondContact O-N 3.38Å
373	V	40.8	Very low	36.2	Very low	45 Å²	45	123 Å²	123	27%	0.273	62%	0.615	S	S	.	*	H	α-helix	trans	-65.9	-34.1	-176.9	-179.7	0	0	0	0	111.6	V40 W370 R375 N376	V40-V373 HydrophobicContact CG2-CG1 4.35Å; W370-V373 HydrophobicContact CE3-CB 3.93Å; W370-V373 HydrophobicContact CE3-CG1 4.38Å; W370-V373 HydrophobicContact CE3-CG2 3.77Å; W370-V373 HydrophobicContact CZ3-CB 4.17Å; W370-V373 HydrophobicContact CZ3-CG1 4.2Å; W370-V373 HydrophobicContact CZ3-CG2 3.86Å; V373-R375 PolarHBondContact O-N 2.75Å; V373-N376 PolarHBondContact O-N 3.05Å
374	S	37.9	Very low	35.5	Very low	80 Å²	80	126.8 Å²	126.8	56%	0.559	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-6.7	179.5	-56.8	0	0	0	0	114.9	W370 V372	W370-S374 WeakPolarHBondContact O-CB 3.21Å; W370-S374 PolarHBondContact O-N 3.06Å; W370-S374 VanDerWaalsContact O-N 3.16Å; W370-S374 PolarHBondContact O-OG 3.36Å; V372-S374 VanDerWaalsContact C-N 3.29Å; V372-S374 PolarHBondContact O-N 3.1Å
375	R	34.6	Very low	35.1	Very low	207 Å²	207	128.9 Å²	128.9	78%	0.781	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-21.2	177.4	-67.9	-175.3	178.9	-173.6	0.4	114.5	V372 V373 S377	V372-R375 PolarHBondContact O-N 3.38Å; V373-R375 PolarHBondContact O-N 2.75Å; R375-S377 VanDerWaalsContact C-N 3.29Å
376	N	33	Very low	34.6	Very low	136 Å²	136	127.5 Å²	127.5	73%	0.727	64%	0.637	S	S	*	*	S	Bend	trans	-98.3	21.2	-176.1	-65	10.2	0	0	0	112.2	V373	V373-N376 PolarHBondContact O-N 3.05Å
377	S	28.1	Very low	34.2	Very low	38 Å²	38	124.8 Å²	124.8	27%	0.266	64%	0.641	S	S	.	*			trans	-127.8	106.5	171.2	-161.8	0	0	0	0	104.3	R375 H422	R375-S377 VanDerWaalsContact C-N 3.29Å; S377-H422 CarbonylContact C-O 3.56Å; S377-H422 VanDerWaalsContact CA-N 3.26Å; S377-H422 WeakPolarHBondContact CA-O 3.35Å; S377-H422 PolarHBondContact OG-N 3.43Å
378	I	34.2	Very low	33.7	Very low	120 Å²	120	125.6 Å²	125.6	62%	0.615	65%	0.645	S	S	*	*			trans	158.3	27.9	-134	50.3	166.9	0	0	0	113.9	D421 H422	I378-D421 WeakPolarHBondContact CG2-O 3.3Å; I378-D421 PolarHBondContact N-O 3.45Å; I378-H422 CarbonylContact C-O 3.59Å; I378-H422 VanDerWaalsContact C-O 3.26Å; I378-H422 WeakPolarHBondContact CA-O 3.37Å; I378-H422 PolarHBondContact N-O 2.83Å
379	S	30.8	Very low	33.2	Very low	57 Å²	57	126.3 Å²	126.3	40%	0.399	66%	0.658	S	S	.	*			trans	-168.8	124.4	171.9	50.6	0	0	0	0	113.6	D421 H422 M423	S379-D421 PolarHBondContact N-O 2.64Å; S379-H422 PolarHBondContact N-O 3.41Å; S379-H422 CarbonylContact O-C 3.57Å; S379-H422 WeakPolarHBondContact O-CA 3.03Å; S379-H422 WeakPolarHBondContact O-CB 3.36Å; S379-H422 PolarHBondContact OG-O 2.66Å; S379-H422 VanDerWaalsContact OG-O 3.08Å; S379-M423 WeakPolarHBondContact O-CA 3.4Å; S379-M423 PolarHBondContact O-N 2.72Å; S379-M423 PolarHBondContact OG-N 2.74Å; S379-M423 PolarHBondContact OG-O 2.66Å
380	D	30.7	Very low	32.4	Very low	147 Å²	147	127.1 Å²	127.1	79%	0.786	67%	0.671	S	S	*	*			trans	-118.7	153.9	169.5	-158.7	4.4	0	0	0	109.3
381	D	31.9	Very low	31.7	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	71%	0.706	S	S	*	*			trans	-74	138.5	-157.2	-138.5	-26.4	0	0	0	114.5
382	R	29.3	Very low	31.3	Very low	238 Å²	238	135.2 Å²	135.2	90%	0.898	71%	0.713	S	S	*	*			trans	-157.4	110.5	166.9	-155	166.7	-178.3	159.9	0.8	115.2
383	L	28.2	Very low	31	Very low	155 Å²	155	137.3 Å²	137.3	81%	0.812	73%	0.729	S	S	*	*			trans	-67.9	136.3	169.5	-64.4	159.6	0	0	0	112
384	E	27.7	Very low	30.9	Very low	178 Å²	178	141.6 Å²	141.6	83%	0.832	76%	0.757	S	S	*	*				-179.2	138.6	116.7	-100.9	178.1	171.8	0	0	114.3
385	T	27.7	Very low	30.5	Very low	132 Å²	132	140.7 Å²	140.7	81%	0.81	76%	0.761	S	S	*	*			trans	47	122	156.3	59.1	0	0	0	0	121.6
386	Q	25.9	Very low	30.4	Very low	199 Å²	199	137.4 Å²	137.4	93%	0.93	76%	0.764	S	S	*	*			trans	-75.5	144.4	162.2	-66.4	179	-12.3	0	0	112.5
387	S	26.9	Very low	30.8	Very low	122 Å²	122	136.2 Å²	136.2	85%	0.853	76%	0.764	S	S	*	*			trans	-148.9	156.5	149.4	57.2	0	0	0	0	110.5
388	L	29.4	Very low	30.9	Very low	171 Å²	171	141.5 Å²	141.5	90%	0.895	79%	0.789	S	S	*	*			trans	-87.7	163.6	-165.3	-80.8	170.7	0	0	0	113.8
389	P	31.8	Very low	30.7	Very low	122 Å²	122	144.6 Å²	144.6	79%	0.792	80%	0.8	S	S	*	*			trans	-92.9	158.6	-145.5	35.4	-38.5	0	0	0	116.3
390	S	25.6	Very low	30.7	Very low	112 Å²	112	151.4 Å²	151.4	78%	0.783	82%	0.817	S	S	*	*			trans	-129.4	102.1	171	61.1	0	0	0	0	113.6
391	R	30	Very low	30.6	Very low	245 Å²	245	150.6 Å²	150.6	93%	0.925	81%	0.813	S	S	*	*			trans	35.6	117.6	144.6	-58.3	-178.6	178.7	-161.7	-2.1	119.8
392	S	30.8	Very low	30.5	Very low	121 Å²	121	149.2 Å²	149.2	85%	0.846	81%	0.814	S	S	*	*			trans	-63.7	153.4	161.3	-30.2	0	0	0	0	113.5
393	P	35.7	Very low	30.4	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	80%	0.803	S	S	*	*			trans	-112.6	161.7	140.3	-6.7	27.2	0	0	0	113
394	P	38.2	Very low	30.4	Very low	135 Å²	135	144 Å²	144	88%	0.877	81%	0.806	S	S	*	*			trans	-113	167	-170.7	41.2	-33.6	0	0	0	116.1
395	G	29.1	Very low	30.5	Very low	61 Å²	61	141.2 Å²	141.2	63%	0.629	80%	0.802	S	S	*	*			trans	145.4	100.5	165	0	0	0	0	0	112.9
396	T	32.5	Very low	30.5	Very low	138 Å²	138	142.1 Å²	142.1	85%	0.847	80%	0.797	S	S	*	*				67.3	142.3	77.6	62.3	0	0	0	0	116
397	P	42	Very low	30.5	Very low	112 Å²	112	140.9 Å²	140.9	73%	0.727	79%	0.791	S	S	*	*			cis	-143.1	173.4	-23.9	39.5	-21.1	0	0	0	116.4
398	N	29.9	Very low	30.5	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	79%	0.79	S	S	*	*			trans	-0.6	135.9	154.2	-56.1	-20.1	0	0	0	121.6
399	H	30.9	Very low	30.4	Very low	184 Å²	184	136.8 Å²	136.8	85%	0.852	78%	0.784	S	S	*	*			trans	-166.5	155.8	131.7	-95.1	-84.1	0	0	0	108.3
400	R	30.1	Very low	30.1	Very low	200 Å²	200	141.8 Å²	141.8	76%	0.755	79%	0.788	S	S	*	*			cis	173.4	140.6	-34.4	-141.5	-168.5	178.2	178.4	0.7	105
401	N	30	Very low	30.1	Very low	131 Å²	131	145 Å²	145	70%	0.701	80%	0.795	S	S	*	*			trans	69.6	135.6	160	-65.6	14.6	0	0	0	117.3
402	S	28.9	Very low	29.8	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	79%	0.792	S	S	*	*			cis	82.7	139.6	44.9	84.6	0	0	0	0	114
403	A	27.6	Very low	29.7	Very low	80 Å²	80	144 Å²	144	66%	0.661	79%	0.787	S	S	*	*			cis	-171.3	-179.1	-9.5	0	0	0	0	0	109.6
404	F	27.8	Very low	29.2	Very low	203 Å²	203	143.2 Å²	143.2	89%	0.89	79%	0.785	S	S	*	*			trans	67.3	162.9	178.9	-72.1	-98.2	0	0	0	115.2
405	T	29.5	Very low	28.6	Very low	121 Å²	121	141.3 Å²	141.3	74%	0.742	78%	0.775	S	S	*	*			cis	-144.8	-172.9	15	-23.9	0	0	0	0	113.2
406	Q	29	Very low	28.5	Very low	150 Å²	150	144.2 Å²	144.2	70%	0.701	78%	0.78	S	S	*	*			trans	-63.5	158	-166.4	-74.8	161.8	-94.9	0	0	121
407	E	26.1	Very low	28.2	Very low	173 Å²	173	140.7 Å²	140.7	81%	0.808	77%	0.772	S	S	*	*			trans	45	131.5	136.7	-60.8	174.4	104.5	0	0	122.7
408	G	26.5	Very low	27.6	Very low	80 Å²	80	141 Å²	141	83%	0.825	76%	0.763	S	S	*	*			trans	176.1	84.5	172.1	0	0	0	0	0	117.5
409	T	25.7	Very low	27.5	Very low	127 Å²	127	139.6 Å²	139.6	78%	0.779	76%	0.755	S	S	*	*			trans	-9.9	122.3	165.7	-49.1	0	0	0	0	121.1
410	R	26.7	Very low	27.5	Very low	228 Å²	228	133.4 Å²	133.4	86%	0.86	73%	0.73	S	S	*	*			trans	38.7	120	150	-56.7	175.2	-175.7	175.8	2.8	120
411	L	25.7	Very low	27.4	Very low	178 Å²	178	125.6 Å²	125.6	93%	0.932	70%	0.703	S	S	*	*				-172.5	158.8	107.5	-101.6	163.8	0	0	0	112.8
412	R	23.6	Very low	27.4	Very low	228 Å²	228	121 Å²	121	86%	0.86	68%	0.678	S	S	*	*			trans	-95.6	155.1	167.6	-117.4	-174.5	-178.7	169.3	2.6	108.1
413	P	28.8	Very low	27.4	Very low	117 Å²	117	120 Å²	120	76%	0.76	66%	0.662	S	S	*	*				-147.1	-174.7	58.5	43	-24.8	0	0	0	115.8
414	S	24.1	Very low	27.4	Very low	108 Å²	108	120.8 Å²	120.8	76%	0.755	66%	0.659	S	S	*	*			trans	40.2	136.8	146.5	-132.5	0	0	0	0	120.8
415	S	26.9	Very low	27.3	Very low	95 Å²	95	118.3 Å²	118.3	66%	0.664	65%	0.65	S	S	*	*			cis	-159.6	171.5	24.2	-43	0	0	0	0	112.6
416	V	26.5	Very low	27	Very low	121 Å²	121	118 Å²	118	73%	0.733	65%	0.648	S	S	*	*			trans	-3.6	132.8	142.8	-172.4	0	0	0	0	116.1
417	G	26.3	Very low	26.9	Very low	65 Å²	65	116 Å²	116	67%	0.67	65%	0.65	S	S	*	*			cis	140.5	-170.1	3.2	0	0	0	0	0	111.7
418	H	29.3	Very low	27.3	Very low	118 Å²	118	113.2 Å²	113.2	55%	0.546	65%	0.647	S	S	.	*			trans	67	160.5	166.5	-70.9	-15	0	0	0	117.1	S99	S99-H418 PolarHBondContact O-CE1 3.06Å; S99-H418 PolarHBondContact O-ND1 3.48Å
419	L	28.5	Very low	27.2	Very low	120 Å²	120	113.8 Å²	113.8	63%	0.628	64%	0.638	S	S	*	*			cis	-142.8	143.9	-19.7	-95.2	142.8	0	0	0	104.8
420	V	29.1	Very low	27.2	Very low	54 Å²	54	115.3 Å²	115.3	33%	0.327	64%	0.637	S	S	.	*			cis	100.5	149.5	33.4	161.7	0	0	0	0	114
421	D	28.8	Very low	27.1	Very low	36 Å²	36	109.2 Å²	109.2	19%	0.193	63%	0.625	C	S	.	*			trans	103.5	103.5	158.4	-83.5	-3.7	0	0	0	120.4	K44 I378 S379	K44-D421 IonicContact NZ-OD2 2.73Å; K44-D421 PolarHBondContact NZ-OD2 3.26Å; I378-D421 WeakPolarHBondContact CG2-O 3.3Å; I378-D421 PolarHBondContact N-O 3.45Å; S379-D421 PolarHBondContact N-O 2.64Å
422	H	29.9	Very low	27	Very low	34 Å²	34	109 Å²	109	16%	0.157	62%	0.616	C	S	.	*			trans	98.5	153.7	140.6	-63.5	-15.8	0	0	0	119.8	S377 I378 S379	S377-H422 CarbonylContact C-O 3.56Å; S377-H422 VanDerWaalsContact CA-N 3.26Å; S377-H422 WeakPolarHBondContact CA-O 3.35Å; S377-H422 PolarHBondContact OG-N 3.43Å; I378-H422 CarbonylContact C-O 3.59Å; I378-H422 VanDerWaalsContact C-O 3.26Å; I378-H422 WeakPolarHBondContact CA-O 3.37Å; I378-H422 PolarHBondContact N-O 2.83Å; S379-H422 PolarHBondContact N-O 3.41Å; S379-H422 CarbonylContact O-C 3.57Å; S379-H422 WeakPolarHBondContact O-CA 3.03Å; S379-H422 WeakPolarHBondContact O-CB 3.36Å; S379-H422 PolarHBondContact OG-O 2.66Å; S379-H422 VanDerWaalsContact OG-O 3.08Å
423	M	29.2	Very low	27	Very low	84 Å²	84	102.8 Å²	102.8	41%	0.414	60%	0.603	S	S	.	*				140	100.5	59	-28.3	159.7	146.5	0	0	111.9	S379	S379-M423 WeakPolarHBondContact O-CA 3.4Å; S379-M423 PolarHBondContact O-N 2.72Å; S379-M423 PolarHBondContact OG-N 2.74Å; S379-M423 PolarHBondContact OG-O 2.66Å
424	V	27.4	Very low	26.8	Very low	96 Å²	96	103 Å²	103	58%	0.582	60%	0.599	S	S	*	*				69.8	153.5	129.7	142.8	0	0	0	0	119
425	H	26.8	Very low	26.8	Very low	152 Å²	152	104.2 Å²	104.2	70%	0.704	59%	0.592	S	S	*	*			cis	-158.7	176.3	-10.1	-122	-20.3	0	0	0	112
426	T	22.9	Very low	26.7	Very low	115 Å²	115	110.5 Å²	110.5	71%	0.706	60%	0.601	S	S	*	*			trans	60.8	135.9	154.5	47.5	0	0	0	0	119.6
427	S	25.1	Very low	26.4	Very low	108 Å²	108	109.9 Å²	109.9	76%	0.755	60%	0.603	S	S	*	*			cis	75.4	152.7	44.3	-50.4	0	0	0	0	113.4
428	P	34.9	Very low	26.6	Very low	114 Å²	114	112.8 Å²	112.8	74%	0.74	61%	0.61	S	S	*	*			cis	-143.4	-167.9	17.2	44.7	-25.2	0	0	0	117.6
429	S	25.6	Very low	26.4	Very low	91 Å²	91	112.1 Å²	112.1	64%	0.636	62%	0.618	S	S	*	*			trans	71.2	152.7	147.5	-68.8	0	0	0	0	120.9
430	E	25.8	Very low	26.3	Very low	159 Å²	159	111.5 Å²	111.5	74%	0.743	62%	0.624	S	S	*	*			cis	-166.4	145.8	-4.2	-118.1	161.2	-122.7	0	0	114.2
431	V	24.2	Very low	26.1	Very low	101 Å²	101	114.1 Å²	114.1	61%	0.612	64%	0.64	S	S	*	*			trans	25.3	170.3	153.3	-63.9	0	0	0	0	123.5
432	F	23.6	Very low	25.9	Very low	173 Å²	173	120.8 Å²	120.8	76%	0.759	67%	0.67	S	S	*	*			cis	-149.5	138.2	21.3	-84.2	-68.6	0	0	0	110.6
433	V	23.5	Very low	25.6	Very low	97 Å²	97	123 Å²	123	59%	0.588	69%	0.694	S	S	*	*				69.9	116.4	77.7	173.6	0	0	0	0	117.3
434	N	24	Very low	25.4	Very low	123 Å²	123	127.1 Å²	127.1	66%	0.658	72%	0.718	S	S	*	*				169.6	131.4	99.1	-134.9	-9.2	0	0	0	118.6
435	Q	24.5	Very low	25.3	Very low	133 Å²	133	127.4 Å²	127.4	62%	0.621	73%	0.725	S	S	*	*			trans	33.8	127.2	138.3	-80.6	178.1	51.2	0	0	123.9
436	R	24.1	Very low	25.2	Very low	226 Å²	226	127.7 Å²	127.7	85%	0.853	73%	0.73	S	S	*	*				171.3	149.8	87.7	-111.9	146.6	-157.7	-144.7	3.7	117.1
437	S	21.3	Very low	25.2	Very low	109 Å²	109	128.2 Å²	128.2	76%	0.762	73%	0.732	S	S	*	*			trans	-83.3	168.2	167.2	-25.5	0	0	0	0	112.4
438	P	31.1	Very low	25.1	Very low	126 Å²	126	131.1 Å²	131.1	82%	0.818	74%	0.739	S	S	*	*				-148.4	-155.1	59.6	39.2	-16.7	0	0	0	114.5
439	S	24.1	Very low	24.6	Very low	104 Å²	104	134 Å²	134	73%	0.727	74%	0.742	S	S	*	*				-174.8	157.6	-63.9	-170.4	0	0	0	0	111.3
440	S	25.4	Very low	24.6	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	75%	0.748	S	S	*	*			trans	68.5	161	164.5	81.5	0	0	0	0	118.1
441	T	25.6	Very low	24.8	Very low	109 Å²	109	132.9 Å²	132.9	67%	0.669	75%	0.752	S	S	*	*			cis	-162	158.7	-7.7	-1.9	0	0	0	0	111.6
442	Q	24.4	Very low	25.6	Very low	175 Å²	175	134.2 Å²	134.2	82%	0.818	76%	0.762	S	S	*	*			trans	57.5	141.8	153.3	-66.5	165.3	19.6	0	0	119.1
443	A	24.1	Very low	25.9	Very low	81 Å²	81	131.3 Å²	131.3	67%	0.669	76%	0.763	S	S	*	*			cis	91.1	107	24.3	0	0	0	0	0	116.3
444	N	24.5	Very low	27	Very low	170 Å²	170	133.1 Å²	133.1	91%	0.909	78%	0.777	S	S	*	*			trans	179.4	175.9	134.9	-94.5	-31.4	0	0	0	114.1
445	S	25.9	Very low	27.2	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	78%	0.783	S	S	*	*			trans	-123.3	-168.4	-169.8	59.1	0	0	0	0	113.3
446	I	24.1	Very low	27.5	Very low	158 Å²	158	133 Å²	133	81%	0.81	80%	0.799	S	S	*	*			trans	127.4	118.6	177.2	-72.3	156.4	0	0	0	108.2
447	V	23.3	Very low	27.5	Very low	125 Å²	125	125.9 Å²	125.9	76%	0.758	80%	0.796	S	S	*	*			cis	87.7	119.5	37.2	178.4	0	0	0	0	114.3
448	L	23.4	Very low	27.8	Very low	170 Å²	170	130.5 Å²	130.5	89%	0.89	80%	0.802	S	S	*	*			trans	-165.8	152.8	154.2	-111.4	161.5	0	0	0	112.1
449	E	23.4	Very low	28.7	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	80%	0.798	S	S	*	*			trans	-102.8	-170.8	179.5	-62.8	-179.8	118.9	0	0	110.1
450	S	26.7	Very low	29.5	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	80%	0.804	S	S	*	*			cis	-157.6	-178.6	21.7	-44.4	0	0	0	0	113.9
451	S	28.9	Very low	29.6	Very low	117 Å²	117	130.3 Å²	130.3	82%	0.818	80%	0.803	S	S	*	*			trans	-82.5	-166	-174.4	-28.8	0	0	0	0	114.8
452	P	41.2	Very low	29.6	Very low	128 Å²	128	133 Å²	133	83%	0.831	81%	0.812	S	S	*	*			cis	-145.5	-167	36.5	41.7	-17.2	0	0	0	119.1
453	S	31.6	Very low	30.5	Very low	112 Å²	112	130 Å²	130	78%	0.783	81%	0.808	S	S	*	*			trans	-95.1	-157.9	-167.8	-37.1	0	0	0	0	114.7
454	P	45.6	Very low	31.4	Very low	135 Å²	135	130.6 Å²	130.6	88%	0.877	81%	0.805	S	S	*	*			cis	-140.4	-170.5	-6.7	42.6	-22.3	0	0	0	117.3
455	G	28.1	Very low	31.5	Very low	75 Å²	75	132 Å²	132	77%	0.773	80%	0.803	S	S	*	*			trans	164.5	140.5	162.4	0	0	0	0	0	118.5
456	D	29.9	Very low	31.5	Very low	180 Å²	180	136.4 Å²	136.4	96%	0.963	81%	0.812	S	S	*	*			trans	-98.9	169.8	-164.3	-64	-74.8	0	0	0	119.6
457	G	25.2	Very low	31.4	Very low	76 Å²	76	133.4 Å²	133.4	78%	0.784	81%	0.805	S	S	*	*			trans	161.4	135.3	157.1	0	0	0	0	0	119.6
458	K	27.1	Very low	31.5	Very low	206 Å²	206	136.9 Å²	136.9	90%	0.896	81%	0.81	S	S	*	*			trans	-175.7	176.5	175	-110	-177.4	-176.4	177.8	0	111.5
459	P	50.3	Low	31.6	Very low	112 Å²	112	138 Å²	138	73%	0.727	81%	0.808	S	S	*	*				-114.9	-163.8	-61.5	40.5	-22.4	0	0	0	111.7
460	P	41.4	Very low	31.7	Very low	133 Å²	133	137 Å²	137	86%	0.864	81%	0.808	S	S	*	*				-154.2	-151.2	86.7	40.7	-17.3	0	0	0	115.9
461	A	26.4	Very low	31.5	Very low	88 Å²	88	136.3 Å²	136.3	73%	0.727	80%	0.803	S	S	*	*			trans	-135.1	163.8	-148.8	0	0	0	0	0	119.7
462	L	26.1	Very low	31.3	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	80%	0.804	S	S	*	*			trans	34.1	170.9	138.8	-70.4	174.5	0	0	0	122.9
463	P	43	Very low	30.6	Very low	111 Å²	111	140.6 Å²	140.6	72%	0.721	79%	0.794	S	S	*	*			cis	-125	-117.4	2.8	28.5	-1.6	0	0	0	112.2
464	P	42.7	Very low	30.3	Very low	94 Å²	94	142.8 Å²	142.8	61%	0.61	79%	0.792	S	S	*	*			cis	-139.7	136.6	-37.4	31.3	-8.4	0	0	0	119.3
465	K	27.5	Very low	29.4	Very low	201 Å²	201	142.3 Å²	142.3	87%	0.874	78%	0.78	S	S	*	*			trans	70.5	156.7	141.7	-58.1	175.5	-179.8	176	0	119.7
466	Q	25.6	Very low	29.3	Very low	195 Å²	195	146.6 Å²	146.6	91%	0.911	78%	0.78	S	S	*	*			cis	-128.2	-147.6	22.8	-52.2	-168.6	56.1	0	0	115.3
467	S	23.2	Very low	29.1	Very low	95 Å²	95	148.2 Å²	148.2	66%	0.664	77%	0.774	S	S	*	*			trans	-168.8	164.9	-168	66.4	0	0	0	0	117.5
468	K	24.9	Very low	29.1	Very low	197 Å²	197	149.2 Å²	149.2	86%	0.857	77%	0.769	S	S	*	*			trans	86.7	151.3	166.3	-55.8	171.9	-176.5	-179.2	0	115.8
469	K	25	Very low	29.1	Very low	195 Å²	195	147.7 Å²	147.7	85%	0.848	77%	0.765	S	S	*	*			cis	-166.8	166.7	34.6	-150.8	178.6	-174.8	-174.3	0	114.5
470	N	24.6	Very low	28	Very low	153 Å²	153	146.7 Å²	146.7	82%	0.818	76%	0.76	S	S	*	*			trans	-46	169.7	168.8	-59.4	31.5	0	0	0	117.4
471	S	23.6	Very low	27.2	Very low	94 Å²	94	147.7 Å²	147.7	66%	0.657	75%	0.754	S	S	*	*			cis	176.1	174.6	-15.9	177.4	0	0	0	0	110.9
472	W	24	Very low	27.2	Very low	218 Å²	218	150.3 Å²	150.3	83%	0.826	75%	0.751	S	S	*	*			trans	105.4	147.7	157.1	-71.4	93.8	0	0	0	123.5
473	N	26.2	Very low	27.2	Very low	117 Å²	117	148.1 Å²	148.1	63%	0.626	74%	0.74	S	S	*	*			trans	79.2	121.7	161	-69.3	-6.7	0	0	0	119.3
474	Q	26.2	Very low	26.5	Very low	158 Å²	158	149.2 Å²	149.2	74%	0.738	74%	0.739	S	S	*	*				86.6	143.5	64.5	-82.1	-172	-7.1	0	0	112.3
475	I	26.7	Very low	25.7	Very low	125 Å²	125	152.6 Å²	152.6	64%	0.641	75%	0.747	S	S	*	*			cis	-164.7	164.6	16.1	-141	166.8	0	0	0	115.6
476	H	25.4	Very low	25.7	Very low	165 Å²	165	147.1 Å²	147.1	76%	0.764	73%	0.734	S	S	*	*			trans	70	156.6	156.4	-78.1	-62.7	0	0	0	127.5
477	Y	25.7	Very low	25.9	Very low	215 Å²	215	145.8 Å²	145.8	84%	0.843	73%	0.727	S	S	*	*			trans	-84.4	173.5	179.1	-86.3	-123.2	0	0	0	112.3
478	S	26	Very low	26.2	Very low	97 Å²	97	147.3 Å²	147.3	68%	0.678	73%	0.726	S	S	*	*				178.3	163.7	59.9	50.8	0	0	0	0	115.7
479	H	27.6	Very low	26.2	Very low	174 Å²	174	144 Å²	144	81%	0.806	72%	0.718	S	S	*	*			trans	35.6	154.8	144.1	-67.1	-56	0	0	0	123.6
480	S	26.2	Very low	26.4	Very low	90 Å²	90	142 Å²	142	63%	0.629	71%	0.712	S	S	*	*			cis	-172	150.7	-7.2	47.4	0	0	0	0	113.9
481	Q	25.4	Very low	26.3	Very low	155 Å²	155	138.6 Å²	138.6	72%	0.724	70%	0.697	S	S	*	*			trans	46	130.3	140.9	-73	170.6	-81.4	0	0	125.3
482	Q	26.3	Very low	26.4	Very low	142 Å²	142	143 Å²	143	66%	0.664	71%	0.705	S	S	*	*			trans	66.6	145.7	132.3	-62.9	-177.7	-102.8	0	0	121
483	D	26.6	Very low	26.3	Very low	120 Å²	120	139 Å²	139	64%	0.642	70%	0.699	S	S	*	*			cis	-157.4	-154.7	-13.1	-89.4	-25.7	0	0	0	107.7
484	L	28.2	Very low	26.4	Very low	133 Å²	133	140 Å²	140	70%	0.696	70%	0.703	S	S	*	*			cis	-163.6	177.4	9.8	-158.4	68.1	0	0	0	111.3
485	E	25.5	Very low	26.3	Very low	165 Å²	165	138 Å²	138	77%	0.771	70%	0.704	S	S	*	*			trans	6.6	153.9	152.8	-77.5	167.2	-167.3	0	0	123.6
486	S	27.6	Very low	26.2	Very low	86 Å²	86	137.7 Å²	137.7	60%	0.601	71%	0.713	S	S	*	*			cis	-173.2	156.4	-2.1	54.8	0	0	0	0	114.4
487	H	29.7	Very low	26.2	Very low	167 Å²	167	135 Å²	135	77%	0.773	71%	0.712	S	S	*	*			trans	59.9	152.9	143.5	-66.1	-31.5	0	0	0	121.9
488	I	29.1	Very low	26.5	Very low	127 Å²	127	130.6 Å²	130.6	65%	0.651	71%	0.71	S	S	*	*			cis	-164	175	-11.3	-114.9	169	0	0	0	110.5
489	N	25.7	Very low	26.4	Very low	128 Å²	128	135.4 Å²	135.4	68%	0.684	72%	0.722	S	S	*	*			trans	71.4	149.9	173.3	-87.5	43.5	0	0	0	117.2
490	E	27.7	Very low	26.5	Very low	152 Å²	152	136.3 Å²	136.3	71%	0.71	72%	0.723	S	S	*	*			cis	176.9	163.8	-22.5	-103.7	-146.1	84.7	0	0	105.9
491	T	23.9	Very low	26.7	Very low	83 Å²	83	138 Å²	138	51%	0.509	73%	0.733	S	S	.	*			cis	-165.1	147.3	-38.7	-49.1	0	0	0	0	103.1
492	F	25.7	Very low	27.1	Very low	187 Å²	187	136.7 Å²	136.7	82%	0.82	74%	0.735	S	S	*	*			cis	-120.8	-149.4	19.7	-66.9	-101.7	0	0	0	109
493	D	22.1	Very low	27.6	Very low	132 Å²	132	135.6 Å²	135.6	71%	0.706	74%	0.74	S	S	*	*			cis	-159	-177.7	6.1	-154.9	5.9	0	0	0	113.5
494	I	27.2	Very low	27.9	Very low	140 Å²	140	134.1 Å²	134.1	72%	0.718	73%	0.733	S	S	*	*			trans	-36.8	139.1	168.1	-64.4	157.9	0	0	0	113.3
495	P	23.9	Very low	28.6	Very low	116 Å²	116	130.9 Å²	130.9	75%	0.753	73%	0.731	S	S	*	*			cis	-127.7	-178.2	24.7	24.2	-0	0	0	0	116.6
496	S	25.2	Very low	29.1	Very low	118 Å²	118	126.4 Å²	126.4	83%	0.825	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-56.9	136	178.1	51.4	0	0	0	0	114.9
497	S	26	Very low	29.5	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-84.6	165.3	173.5	58.7	0	0	0	0	112.6
498	P	30.2	Very low	30	Very low	123 Å²	123	125.3 Å²	125.3	80%	0.799	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-80.4	159.4	-164.5	32	-36.2	0	0	0	114.7
499	E	25.4	Very low	30.6	Very low	197 Å²	197	127.2 Å²	127.2	92%	0.921	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-59.1	137.4	-177.4	-57.8	178.2	139.8	0	0	113.2
500	K	28.2	Very low	31.6	Very low	193 Å²	193	126.7 Å²	126.7	84%	0.839	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-94.3	145.5	156.4	-81.4	-174.9	176	179.1	0	109
501	P	31.1	Very low	33.3	Very low	127 Å²	127	126.4 Å²	126.4	83%	0.825	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-63.5	138	-171.4	25.7	-35.1	0	0	0	112.2
502	T	34.8	Very low	35.9	Very low	127 Å²	127	124.2 Å²	124.2	78%	0.779	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.4	145.6	177.2	45.6	0	0	0	0	112.2
503	P	36.3	Very low	38.6	Very low	118 Å²	118	117.5 Å²	117.5	77%	0.766	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-61.6	161.3	165.4	-17.2	30.9	0	0	0	111.6	G505	P503-G505 PolarHBondContact O-N 2.77Å; P503-G505 VanDerWaalsContact O-N 3.15Å
504	N	32.7	Very low	41.7	Very low	90 Å²	90	114.3 Å²	114.3	48%	0.481	68%	0.675	S	S	.	*	S	Bend	trans	-60	117.9	172.5	-70.4	-17.2	0	0	0	109.9
505	G	42	Very low	44.7	Very low	65 Å²	65	107.7 Å²	107.7	67%	0.67	64%	0.641	S	S	*	*			trans	-163.2	156.7	-179.9	0	0	0	0	0	110.3	P503 I507	P503-G505 PolarHBondContact O-N 2.77Å; P503-G505 VanDerWaalsContact O-N 3.15Å; G505-I507 PolarHBondContact O-N 3.48Å
506	G	37.6	Very low	47.8	Very low	70 Å²	70	107.2 Å²	107.2	72%	0.722	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-63.9	132.1	-174.5	0	0	0	0	0	112.8
507	I	36	Very low	50.9	Low	124 Å²	124	102 Å²	102	64%	0.636	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-66	135.9	165.3	-58.9	177	0	0	0	107.1	G505 H509	G505-I507 PolarHBondContact O-N 3.48Å; I507-H509 PolarHBondContact O-N 2.78Å
508	P	40	Very low	53.9	Low	106 Å²	106	102.7 Å²	102.7	69%	0.688	58%	0.576	S	S	*	*	S	Bend	trans	-62.4	129	172.7	25.2	-32.8	0	0	0	110
509	H	41.6	Very low	56.7	Low	167 Å²	167	98.7 Å²	98.7	77%	0.773	55%	0.55	S	S	*	*	S	Bend	trans	84.2	151.1	-173.2	-48.2	-75.1	0	0	0	116.3	I507	I507-H509 PolarHBondContact O-N 2.78Å
510	D	45.8	Very low	59.4	Low	118 Å²	118	91.3 Å²	91.3	63%	0.631	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	6.7	170.2	-69.7	14.4	0	0	0	122.2	L512	D510-L512 HydrophobicContact CB-CG 4.32Å; D510-L512 WeakPolarHBondContact O-CG 3.29Å; D510-L512 PolarHBondContact O-N 2.74Å
511	N	64.1	Low	61.8	Low	146 Å²	146	91.7 Å²	91.7	78%	0.781	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	34.7	172.7	-64.5	-19.6	0	0	0	114.2	P600	N511-P600 WeakPolarHBondContact O-CD 3.29Å
512	L	77.8	Confident	63.9	Low	36 Å²	36	90.8 Å²	90.8	19%	0.188	51%	0.51	C	S	.	.			trans	-99.6	142.4	179.9	-58.3	-176.5	0	0	0	111.8	D510 V564 L597 V598 R599	D510-L512 HydrophobicContact CB-CG 4.32Å; D510-L512 WeakPolarHBondContact O-CG 3.29Å; D510-L512 PolarHBondContact O-N 2.74Å; L512-V564 HydrophobicContact CD2-CG2 4.11Å; L512-L597 HydrophobicContact CB-CD1 3.91Å; L512-L597 HydrophobicContact CB-CD2 4.3Å; L512-L597 HydrophobicContact CB-CG 4Å; L512-L597 HydrophobicContact CD1-CD2 3.63Å; L512-L597 HydrophobicContact CD1-CG 4.08Å; L512-V598 CarbonylContact C-O 3.46Å; L512-V598 WeakPolarHBondContact CA-O 3.38Å; L512-R599 HydrophobicContact CD2-CB 3.62Å; L512-R599 HydrophobicContact CD2-CG 4.14Å
513	V	83.6	Confident	65.9	Low	47 Å²	47	86.6 Å²	86.6	29%	0.285	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.4	179.7	-180	0	0	0	0	109.2	I515 P555 V598 P600	V513-I515 HydrophobicContact CG1-CG1 4.14Å; V513-P555 HydrophobicContact CG1-CB 4.01Å; V513-P555 HydrophobicContact CG1-CG 3.76Å; V513-V598 HydrophobicContact CB-CG2 4.17Å; V513-V598 PolarHBondContact N-O 2.98Å; V513-V598 PolarHBondContact O-N 3.37Å; V513-P600 HydrophobicContact CB-CG 4.29Å; V513-P600 HydrophobicContact CG2-CG 3.57Å
514	L	87.1	Confident	68.2	Low	64 Å²	64	87.8 Å²	87.8	34%	0.335	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	115.4	173.2	-174.5	70.8	0	0	0	109.7	M595 L597	L514-M595 HydrophobicContact CD1-CB 4.48Å; L514-L597 HydrophobicContact CB-CD1 4.11Å; L514-L597 HydrophobicContact CD1-CB 4.45Å; L514-L597 HydrophobicContact CD1-CD1 4.27Å
515	I	89.6	Confident	70.9	Confident	2 Å²	2	84 Å²	84	1%	0.01	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.3	175.4	-64.6	175.2	0	0	0	108.5	V513 M517 C553 P555 L557 M595 L596 V598	V513-I515 HydrophobicContact CG1-CG1 4.14Å; I515-M517 HydrophobicContact CG2-CE 3.6Å; I515-C553 HydrophobicContact CG2-CB 4.4Å; I515-P555 HydrophobicContact CG1-CB 4.38Å; I515-L557 HydrophobicContact CD1-CB 4.14Å; I515-L557 HydrophobicContact CD1-CD1 3.59Å; I515-L557 HydrophobicContact CD1-CG 4.5Å; I515-M595 CarbonylContact O-C 3.5Å; I515-M595 WeakPolarHBondContact O-CA 3.38Å; I515-L596 PolarHBondContact N-O 2.61Å; I515-L596 PolarHBondContact O-N 2.88Å; I515-V598 HydrophobicContact CD1-CG2 3.74Å; I515-V598 HydrophobicContact CG1-CG2 4.33Å
516	R	88.4	Confident	73.1	Confident	106 Å²	106	81.9 Å²	81.9	40%	0.4	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.3	172.5	-58.8	-165.1	-176.9	-163.6	2.2	110.2	L594 M595	R516-L594 WeakPolarHBondContact CA-O 3.36Å; R516-M595 HydrophobicContact CG-CG 4.01Å; R516-M595 HydrophobicContact CG-SD 4.43Å; R516-M595 VanDerWaalsContact CZ-SD 3.55Å
517	M	90.9	Very high	75.8	Confident	9 Å²	9	79.5 Å²	79.5	4%	0.044	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.6	179.4	57.4	-179	76.1	0	0	112	I515 F525 F527 A550 C553 L557 L594 L596	I515-M517 HydrophobicContact CG2-CE 3.6Å; M517-F525 HydrophobicContact CB-CD1 4.47Å; M517-F525 HydrophobicContact CG-CD1 3.67Å; M517-F525 HydrophobicContact CG-CE1 4.2Å; M517-F525 HydrophobicContact CG-CG 4.49Å; M517-F525 HydrophobicContact SD-CB 3.81Å; M517-F525 HydrophobicContact SD-CD1 3.84Å; M517-F525 HydrophobicContact SD-CG 4.13Å; M517-F527 HydrophobicContact SD-CD1 4.27Å; M517-F527 HydrophobicContact SD-CE1 3.99Å; M517-A550 HydrophobicContact CE-CB 3.82Å; M517-A550 HydrophobicContact SD-CB 3.88Å; M517-C553 HydrophobicContact CB-CB 4.14Å; M517-L557 HydrophobicContact CE-CB 4.23Å; M517-L557 HydrophobicContact CE-CD2 4.11Å; M517-L594 HydrophobicContact CG-CB 4.09Å; M517-L594 HydrophobicContact CG-CD2 4.11Å; M517-L594 HydrophobicContact CG-CG 4.39Å; M517-L594 PolarHBondContact N-O 3.27Å; M517-L594 PolarHBondContact O-N 3.26Å; M517-L594 HydrophobicContact SD-CD2 4.01Å; M517-L596 HydrophobicContact CE-CD1 4.27Å
518	K	88.7	Confident	78.3	Confident	121 Å²	121	78.2 Å²	78.2	53%	0.526	40%	0.403	S	S	.	.			trans	-97.7	151.9	170	-71.8	-178	173.3	164.7	0	109.5	P549 E593	K518-P549 WeakPolarHBondContact O-CB 3.37Å; K518-P549 WeakPolarHBondContact O-CG 3.35Å; K518-E593 HydrophobicContact CD-CG 4.24Å; K518-E593 VanDerWaalsContact CE-CD 3.46Å; K518-E593 WeakPolarHBondContact CE-OE1 3.26Å; K518-E593 HydrophobicContact CG-CG 3.73Å; K518-E593 IonicContact NZ-OE1 3.56Å; K518-E593 PolarHBondContact NZ-OE1 3.32Å
519	P	88	Confident	80.8	Confident	39 Å²	39	74.1 Å²	74.1	25%	0.253	38%	0.376	S	S	.	.			trans	-69.4	161.1	173.8	29.4	-33.6	0	0	0	111.4	F525 G592	P519-F525 HydrophobicContact CB-CD1 4.33Å; P519-F525 HydrophobicContact CB-CE1 3.92Å; P519-F525 HydrophobicContact CB-CZ 4.02Å; P519-F525 HydrophobicContact CG-CE1 4.3Å; P519-F525 HydrophobicContact CG-CZ 4.32Å; P519-F525 VanDerWaalsContact N-CE1 3.32Å; P519-G592 VanDerWaalsContact CD-O 3.23Å; P519-G592 WeakPolarHBondContact CD-O 3.25Å
520	D	83.6	Confident	82.9	Confident	42 Å²	42	71.3 Å²	71.3	23%	0.225	36%	0.361	C	S	.	.			trans	-67.6	175.5	167.5	80.9	-19.7	0	0	0	111.4	N522 G523 R524 P549	D520-N522 PolarHBondContact O-N 2.88Å; D520-N522 VanDerWaalsContact OD1-CA 3.29Å; D520-N522 WeakPolarHBondContact OD1-CA 3.42Å; D520-N522 WeakPolarHBondContact OD1-CB 3.36Å; D520-N522 PolarHBondContact OD1-N 2.81Å; D520-N522 PolarHBondContact OD2-ND2 2.88Å; D520-G523 PolarHBondContact O-N 2.98Å; D520-G523 PolarHBondContact OD1-N 3.03Å; D520-G523 VanDerWaalsContact OD1-N 3.07Å; D520-R524 PolarHBondContact N-O 3.46Å; D520-R524 WeakPolarHBondContact OD1-CA 3.49Å; D520-R524 WeakPolarHBondContact OD1-CB 3.47Å; D520-R524 PolarHBondContact OD1-N 2.92Å; D520-R524 IonicContact OD1-NE 2.76Å; D520-R524 IonicContact OD2-CZ 3.87Å; D520-R524 IonicContact OD2-NE 3.21Å; D520-R524 PolarHBondContact OD2-NE 3.09Å; D520-R524 VanDerWaalsContact OD2-NE 3.11Å; D520-R524 IonicContact OD2-NH2 3.86Å; D520-R524 PolarHBondContact OD2-NH2 3.31Å; D520-P549 HydrophobicContact CB-CG 4.16Å
521	E	77.3	Confident	85	Confident	202 Å²	202	65.8 Å²	65.8	94%	0.944	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-10.4	175.7	-58.6	-177.6	155.2	0	0	114.1
522	N	75.7	Confident	86.1	Confident	108 Å²	108	59 Å²	59	58%	0.578	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	9.4	-179.9	-50.2	-95.6	0	0	0	112.4	D520 R524	D520-N522 PolarHBondContact O-N 2.88Å; D520-N522 VanDerWaalsContact OD1-CA 3.29Å; D520-N522 WeakPolarHBondContact OD1-CA 3.42Å; D520-N522 WeakPolarHBondContact OD1-CB 3.36Å; D520-N522 PolarHBondContact OD1-N 2.81Å; D520-N522 PolarHBondContact OD2-ND2 2.88Å; N522-R524 HydrophobicContact CB-CG 4.44Å; N522-R524 PolarHBondContact ND2-NH2 2.95Å; N522-R524 VanDerWaalsContact ND2-NH2 3.16Å
523	G	77.8	Confident	86.7	Confident	38 Å²	38	64.3 Å²	64.3	39%	0.392	32%	0.315	S	S	.	.	S	Bend	trans	80	19.7	179	0	0	0	0	0	115.3	D520 C587	D520-G523 PolarHBondContact O-N 2.98Å; D520-G523 PolarHBondContact OD1-N 3.03Å; D520-G523 VanDerWaalsContact OD1-N 3.07Å; G523-C587 PolarHBondContact O-SG 3.04Å
524	R	83.6	Confident	86.8	Confident	143 Å²	143	66.1 Å²	66.1	54%	0.54	32%	0.324	S	S	.	.			trans	-117.8	139.5	-171.5	-53.3	174.2	-62.4	-164.1	-1	112.9	D520 N522	D520-R524 PolarHBondContact N-O 3.46Å; D520-R524 WeakPolarHBondContact OD1-CA 3.49Å; D520-R524 WeakPolarHBondContact OD1-CB 3.47Å; D520-R524 PolarHBondContact OD1-N 2.92Å; D520-R524 IonicContact OD1-NE 2.76Å; D520-R524 IonicContact OD2-CZ 3.87Å; D520-R524 IonicContact OD2-NE 3.21Å; D520-R524 PolarHBondContact OD2-NE 3.09Å; D520-R524 VanDerWaalsContact OD2-NE 3.11Å; D520-R524 IonicContact OD2-NH2 3.86Å; D520-R524 PolarHBondContact OD2-NH2 3.31Å; N522-R524 HydrophobicContact CB-CG 4.44Å; N522-R524 PolarHBondContact ND2-NH2 2.95Å; N522-R524 VanDerWaalsContact ND2-NH2 3.16Å
525	F	88.8	Confident	86.7	Confident	10 Å²	10	67.4 Å²	67.4	4%	0.044	33%	0.328	C	S	.	.			trans	-89.7	-20.4	175.7	-59.7	-74.3	0	0	0	114.1	M517 P519 F527 A550 I583 C587 L594	M517-F525 HydrophobicContact CB-CD1 4.47Å; M517-F525 HydrophobicContact CG-CD1 3.67Å; M517-F525 HydrophobicContact CG-CE1 4.2Å; M517-F525 HydrophobicContact CG-CG 4.49Å; M517-F525 HydrophobicContact SD-CB 3.81Å; M517-F525 HydrophobicContact SD-CD1 3.84Å; M517-F525 HydrophobicContact SD-CG 4.13Å; P519-F525 HydrophobicContact CB-CD1 4.33Å; P519-F525 HydrophobicContact CB-CE1 3.92Å; P519-F525 HydrophobicContact CB-CZ 4.02Å; P519-F525 HydrophobicContact CG-CE1 4.3Å; P519-F525 HydrophobicContact CG-CZ 4.32Å; P519-F525 VanDerWaalsContact N-CE1 3.32Å; F525-F527 HydrophobicContact CB-CD1 3.76Å; F525-F527 HydrophobicContact CB-CE1 3.61Å; F525-F527 HydrophobicContact CG-CE1 4.36Å; F525-A550 VanDerWaalsContact O-CB 3.24Å; F525-A550 WeakPolarHBondContact O-CB 3.2Å; F525-A550 PolarHBondContact O-N 2.93Å; F525-I583 HydrophobicContact CD2-CG2 3.95Å; F525-I583 HydrophobicContact CE2-CG2 4.38Å; F525-C587 WeakPolarHBondContact CE2-SG 3.12Å; F525-L594 HydrophobicContact CB-CD2 4.37Å; F525-L594 HydrophobicContact CD1-CB 4.03Å; F525-L594 HydrophobicContact CD1-CD2 3.95Å; F525-L594 HydrophobicContact CD2-CD2 3.78Å; F525-L594 HydrophobicContact CE1-CB 3.45Å; F525-L594 VanDerWaalsContact CE1-CB 3.45Å; F525-L594 HydrophobicContact CE1-CD2 4.16Å; F525-L594 HydrophobicContact CE1-CG 4.46Å; F525-L594 HydrophobicContact CE2-CB 4.09Å; F525-L594 HydrophobicContact CE2-CD2 4.02Å; F525-L594 HydrophobicContact CG-CD2 3.75Å; F525-L594 HydrophobicContact CZ-CB 3.5Å; F525-L594 HydrophobicContact CZ-CD2 4.22Å; F525-L594 HydrophobicContact CZ-CG 4.44Å
526	G	88.8	Confident	86.4	Confident	21 Å²	21	76.6 Å²	76.6	22%	0.216	37%	0.368	C	S	.	.			trans	85.9	13.6	171.3	0	0	0	0	0	117.2	A545 T548	G526-A545 VanDerWaalsContact O-CB 3.31Å; G526-A545 WeakPolarHBondContact O-CB 3.41Å; G526-A545 PolarHBondContact O-N 3.31Å; G526-T548 WeakPolarHBondContact CA-OG1 3.22Å; G526-T548 PolarHBondContact O-OG1 1.81Å
527	F	93.9	Very high	86	Confident	21 Å²	21	76.5 Å²	76.5	9%	0.092	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.2	171.9	72.8	-77.5	0	0	0	111.9	M517 F525 V529 V541 R543 V544 A550 L557 I583 L594 L596	M517-F527 HydrophobicContact SD-CD1 4.27Å; M517-F527 HydrophobicContact SD-CE1 3.99Å; F525-F527 HydrophobicContact CB-CD1 3.76Å; F525-F527 HydrophobicContact CB-CE1 3.61Å; F525-F527 HydrophobicContact CG-CE1 4.36Å; F527-V529 HydrophobicContact CD2-CG1 4.04Å; F527-V529 HydrophobicContact CE2-CG1 3.67Å; F527-V541 HydrophobicContact CB-CG1 4.42Å; F527-V541 HydrophobicContact CD2-CG1 4.4Å; F527-V541 HydrophobicContact CD2-CG2 4.32Å; F527-R543 CarbonylContact C-O 3.58Å; F527-R543 VanDerWaalsContact CA-O 3.27Å; F527-R543 WeakPolarHBondContact CA-O 3.45Å; F527-R543 WeakPolarHBondContact CB-O 3.43Å; F527-V544 HydrophobicContact CB-CG2 4.17Å; F527-A550 HydrophobicContact CB-CB 3.9Å; F527-A550 HydrophobicContact CD1-CB 3.73Å; F527-A550 HydrophobicContact CG-CB 4.17Å; F527-L557 HydrophobicContact CB-CD2 3.92Å; F527-L557 HydrophobicContact CD1-CD2 3.88Å; F527-L557 HydrophobicContact CD2-CD2 3.6Å; F527-L557 HydrophobicContact CE1-CD2 4.28Å; F527-L557 HydrophobicContact CE2-CD2 4.02Å; F527-L557 HydrophobicContact CG-CD2 3.52Å; F527-L557 HydrophobicContact CZ-CD2 4.35Å; F527-I583 HydrophobicContact CE1-CG2 4.41Å; F527-I583 HydrophobicContact CE2-CD1 4.06Å; F527-I583 HydrophobicContact CZ-CD1 3.96Å; F527-I583 HydrophobicContact CZ-CG1 4.41Å; F527-I583 HydrophobicContact CZ-CG2 4.13Å; F527-L594 HydrophobicContact CE1-CD2 3.74Å; F527-L594 HydrophobicContact CZ-CD2 3.92Å; F527-L596 HydrophobicContact CE1-CD1 4.27Å; F527-L596 HydrophobicContact CE2-CD1 4.16Å; F527-L596 HydrophobicContact CZ-CD1 3.72Å
528	N	89.8	Confident	85.7	Confident	97 Å²	97	79.1 Å²	79.1	52%	0.519	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.4	173.3	-69.3	38.7	0	0	0	109.6	V541 S542 R543	N528-V541 CarbonylContact O-C 3.57Å; N528-V541 WeakPolarHBondContact O-CA 3.21Å; N528-S542 VanDerWaalsContact C-OG 3.3Å; N528-S542 VanDerWaalsContact CB-OG 3.29Å; N528-S542 WeakPolarHBondContact CB-OG 3.47Å; N528-S542 PolarHBondContact O-N 2.94Å; N528-S542 PolarHBondContact O-OG 3.1Å; N528-S542 VanDerWaalsContact O-OG 3.13Å; N528-R543 HydrophobicContact CB-CB 4.24Å; N528-R543 PolarHBondContact N-O 3.46Å; N528-R543 PolarHBondContact O-N 3.34Å
529	V	92.3	Very high	85.9	Confident	19 Å²	19	73.7 Å²	73.7	12%	0.115	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	159.9	170.1	-66.9	0	0	0	0	111.5	F527 V539 I540 S542 V579 V580 I583	F527-V529 HydrophobicContact CD2-CG1 4.04Å; F527-V529 HydrophobicContact CE2-CG1 3.67Å; V529-V539 HydrophobicContact CB-CG1 4.03Å; V529-V539 HydrophobicContact CG1-CG1 4.09Å; V529-I540 CarbonylContact C-O 3.49Å; V529-I540 WeakPolarHBondContact CA-O 3.13Å; V529-S542 PolarHBondContact O-OG 3.36Å; V529-V579 HydrophobicContact CG2-CG1 4.47Å; V529-V580 HydrophobicContact CG2-CG2 3.96Å; V529-I583 HydrophobicContact CG1-CD1 4.1Å; V529-I583 HydrophobicContact CG2-CD1 4.17Å
530	K	86.3	Confident	86	Confident	108 Å²	108	73.3 Å²	73.3	47%	0.47	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.6	168.8	66.4	-173.9	173.7	-174.4	0	108.9	V539 I540	K530-V539 WeakPolarHBondContact O-CA 3.45Å; K530-I540 HydrophobicContact CG-CB 4.19Å; K530-I540 PolarHBondContact N-O 3.47Å; K530-I540 PolarHBondContact O-N 3.29Å
531	G	88.5	Confident	86.5	Confident	2 Å²	2	71.4 Å²	71.4	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.5	175.2	-175.4	0	0	0	0	0	113.1	Q535 H576	G531-Q535 VanDerWaalsContact CA-OE1 3.23Å; G531-Q535 VanDerWaalsContact N-OE1 3.09Å; G531-H576 PolarHBondContact O-ND1 2.92Å
532	G	88.6	Confident	86.8	Confident	3 Å²	3	63.8 Å²	63.8	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.1	158.6	-165.5	0	0	0	0	0	109.3	D534 Q535 K536 M537	G532-D534 VanDerWaalsContact C-N 3.28Å; G532-D534 PolarHBondContact O-N 3.17Å; G532-Q535 CarbonylContact O-C 3.2Å; G532-Q535 WeakPolarHBondContact O-CA 3.43Å; G532-Q535 PolarHBondContact O-N 2.99Å; G532-K536 PolarHBondContact O-N 2.89Å; G532-M537 PolarHBondContact N-O 3.31Å; G532-M537 PolarHBondContact O-N 3.21Å
533	Y	88.5	Confident	87.1	Confident	148 Å²	148	66.1 Å²	66.1	58%	0.58	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-58.7	-39.9	-177.5	-177.8	-96.5	0	0	0	112.6	Q535 K536 H574	Y533-Q535 PolarHBondContact O-N 3.48Å; Y533-K536 PolarHBondContact O-N 3.12Å; Y533-K536 VanDerWaalsContact O-N 3.1Å; Y533-H574 WeakPolarHBondContact CB-O 3.12Å; Y533-H574 PolarHBondContact N-O 3Å
534	D	86.5	Confident	87.6	Confident	86 Å²	86	65 Å²	65	46%	0.46	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-58.4	-32.8	173.1	59	-58.1	0	0	0	113.3	G532 K536 T575 H576	G532-D534 VanDerWaalsContact C-N 3.28Å; G532-D534 PolarHBondContact O-N 3.17Å; D534-K536 VanDerWaalsContact C-N 3.35Å; D534-T575 HydrophobicContact CB-CG2 4.1Å; D534-T575 WeakPolarHBondContact OD1-CA 3.4Å; D534-T575 WeakPolarHBondContact OD1-CB 3.22Å; D534-H576 PolarHBondContact OD1-N 3.1Å
535	Q	84.9	Confident	87.5	Confident	90 Å²	90	59.9 Å²	59.9	42%	0.421	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-89.4	-2	-179.7	-57.3	-179.7	7.8	0	0	112.6	G531 G532 Y533 M537 H576	G531-Q535 VanDerWaalsContact CA-OE1 3.23Å; G531-Q535 VanDerWaalsContact N-OE1 3.09Å; G532-Q535 CarbonylContact O-C 3.2Å; G532-Q535 WeakPolarHBondContact O-CA 3.43Å; G532-Q535 PolarHBondContact O-N 2.99Å; Y533-Q535 PolarHBondContact O-N 3.48Å; Q535-M537 HydrophobicContact CB-CB 4.4Å; Q535-M537 WeakPolarHBondContact O-CG 3.35Å; Q535-M537 PolarHBondContact O-N 3.2Å; Q535-M537 VanDerWaalsContact O-N 3.1Å; Q535-H576 VanDerWaalsContact NE2-CB 3.28Å; Q535-H576 VanDerWaalsContact NE2-CG 3.34Å
536	K	83.4	Confident	86.9	Confident	196 Å²	196	64.9 Å²	64.9	85%	0.852	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	29.2	-172.9	-59.2	-174.4	179.5	-178.2	0	113.7	G532 Y533 D534	G532-K536 PolarHBondContact O-N 2.89Å; Y533-K536 PolarHBondContact O-N 3.12Å; Y533-K536 VanDerWaalsContact O-N 3.1Å; D534-K536 VanDerWaalsContact C-N 3.35Å
537	M	80	Confident	86.2	Confident	104 Å²	104	66.4 Å²	66.4	51%	0.512	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134	-175.9	-79.2	-68.4	-65.8	0	0	109	G532 Q535	G532-M537 PolarHBondContact N-O 3.31Å; G532-M537 PolarHBondContact O-N 3.21Å; Q535-M537 HydrophobicContact CB-CB 4.4Å; Q535-M537 WeakPolarHBondContact O-CG 3.35Å; Q535-M537 PolarHBondContact O-N 3.2Å; Q535-M537 VanDerWaalsContact O-N 3.1Å
538	P	85.8	Confident	85.9	Confident	63 Å²	63	67 Å²	67	41%	0.409	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	146.9	175.4	27	-34.5	0	0	0	110.6	I540 Q562	P538-I540 HydrophobicContact CG-CD1 4.04Å; P538-I540 HydrophobicContact CG-CG1 4.48Å; P538-I540 PolarHBondContact O-N 3.49Å; P538-Q562 HydrophobicContact CB-CG 4.29Å
539	V	92.7	Very high	85.8	Confident	8 Å²	8	63.8 Å²	63.8	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	118.4	178.1	177.6	0	0	0	0	109.3	V529 K530 Q562 V563 I571 V579	V529-V539 HydrophobicContact CB-CG1 4.03Å; V529-V539 HydrophobicContact CG1-CG1 4.09Å; K530-V539 WeakPolarHBondContact O-CA 3.45Å; V539-Q562 CarbonylContact O-C 3.51Å; V539-Q562 WeakPolarHBondContact O-CA 3.36Å; V539-V563 HydrophobicContact CB-CB 4.43Å; V539-V563 HydrophobicContact CG1-CB 3.97Å; V539-V563 HydrophobicContact CG1-CG2 4.19Å; V539-V563 PolarHBondContact O-N 3.15Å; V539-I571 HydrophobicContact CB-CD1 3.74Å; V539-I571 HydrophobicContact CG1-CD1 3.93Å; V539-I571 HydrophobicContact CG2-CD1 3.9Å; V539-V579 HydrophobicContact CG1-CG1 3.84Å; V539-V579 HydrophobicContact CG2-CG1 4.13Å; V539-V579 HydrophobicContact CG2-CG2 4.11Å
540	I	90.1	Very high	85.7	Confident	31 Å²	31	62.9 Å²	62.9	16%	0.159	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.7	-175.8	-70.7	164.4	0	0	0	109.4	V529 K530 P538 S542 G560 D561 Q562	V529-I540 CarbonylContact C-O 3.49Å; V529-I540 WeakPolarHBondContact CA-O 3.13Å; K530-I540 HydrophobicContact CG-CB 4.19Å; K530-I540 PolarHBondContact N-O 3.47Å; K530-I540 PolarHBondContact O-N 3.29Å; P538-I540 HydrophobicContact CG-CD1 4.04Å; P538-I540 HydrophobicContact CG-CG1 4.48Å; P538-I540 PolarHBondContact O-N 3.49Å; I540-S542 PolarHBondContact O-N 3.39Å; I540-G560 WeakPolarHBondContact CG2-O 3.19Å; I540-D561 CarbonylContact C-O 3.48Å; I540-D561 WeakPolarHBondContact CA-O 3.37Å; I540-Q562 HydrophobicContact CG1-CB 4.41Å
541	V	92.7	Very high	85.6	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	113.9	169.5	-179.5	0	0	0	0	109.1	F527 N528 V544 L557 N558 G560 D561 V563	F527-V541 HydrophobicContact CB-CG1 4.42Å; F527-V541 HydrophobicContact CD2-CG1 4.4Å; F527-V541 HydrophobicContact CD2-CG2 4.32Å; N528-V541 CarbonylContact O-C 3.57Å; N528-V541 WeakPolarHBondContact O-CA 3.21Å; V541-V544 HydrophobicContact CG1-CG2 3.56Å; V541-L557 HydrophobicContact CG1-CD2 4.26Å; V541-L557 HydrophobicContact CG1-CG 4.36Å; V541-L557 HydrophobicContact CG2-CD1 3.89Å; V541-L557 HydrophobicContact CG2-CD2 3.85Å; V541-L557 HydrophobicContact CG2-CG 3.9Å; V541-N558 WeakPolarHBondContact CB-O 3.35Å; V541-N558 WeakPolarHBondContact CG1-O 3.21Å; V541-G560 PolarHBondContact O-N 3.05Å; V541-D561 HydrophobicContact CB-CB 4.5Å; V541-D561 HydrophobicContact CG2-CB 4.17Å; V541-D561 PolarHBondContact N-O 3.05Å; V541-V563 HydrophobicContact CG2-CG2 4.17Å
542	S	84.9	Confident	85.2	Confident	42 Å²	42	64.5 Å²	64.5	29%	0.294	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-21.1	-173.4	65	0	0	0	0	113.9	N528 V529 I540	N528-S542 VanDerWaalsContact C-OG 3.3Å; N528-S542 VanDerWaalsContact CB-OG 3.29Å; N528-S542 WeakPolarHBondContact CB-OG 3.47Å; N528-S542 PolarHBondContact O-N 2.94Å; N528-S542 PolarHBondContact O-OG 3.1Å; N528-S542 VanDerWaalsContact O-OG 3.13Å; V529-S542 PolarHBondContact O-OG 3.36Å; I540-S542 PolarHBondContact O-N 3.39Å
543	R	80.7	Confident	84.9	Confident	158 Å²	158	65 Å²	65	60%	0.596	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.5	147.5	171.1	176.4	166.4	-68.6	165.4	3	110.9	F527 N528 E559	F527-R543 CarbonylContact C-O 3.58Å; F527-R543 VanDerWaalsContact CA-O 3.27Å; F527-R543 WeakPolarHBondContact CA-O 3.45Å; F527-R543 WeakPolarHBondContact CB-O 3.43Å; N528-R543 HydrophobicContact CB-CB 4.24Å; N528-R543 PolarHBondContact N-O 3.46Å; N528-R543 PolarHBondContact O-N 3.34Å; R543-E559 WeakPolarHBondContact CA-OE1 3.31Å; R543-E559 WeakPolarHBondContact CG-OE1 3.18Å
544	V	89.3	Confident	84	Confident	14 Å²	14	63.8 Å²	63.8	9%	0.085	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.7	164.6	-176.7	0	0	0	0	108.6	F527 V541 A550 D551 E559	F527-V544 HydrophobicContact CB-CG2 4.17Å; V541-V544 HydrophobicContact CG1-CG2 3.56Å; V544-A550 HydrophobicContact CG1-CB 4.15Å; V544-D551 HydrophobicContact CG1-CB 3.94Å; V544-E559 HydrophobicContact CB-CG 4.39Å; V544-E559 HydrophobicContact CG2-CG 4.22Å; V544-E559 PolarHBondContact N-OE1 3.35Å
545	A	81.8	Confident	83.6	Confident	36 Å²	36	61.9 Å²	61.9	30%	0.298	35%	0.346	S	S	.	.			trans	-87.7	127	-177.8	0	0	0	0	0	111	G526 T548 D551	G526-A545 VanDerWaalsContact O-CB 3.31Å; G526-A545 WeakPolarHBondContact O-CB 3.41Å; G526-A545 PolarHBondContact O-N 3.31Å; A545-T548 HydrophobicContact CB-CG2 3.74Å; A545-T548 WeakPolarHBondContact O-CB 3.46Å; A545-T548 WeakPolarHBondContact O-CG2 2.78Å; A545-T548 PolarHBondContact O-N 3.13Å; A545-T548 PolarHBondContact O-OG1 2.93Å; A545-D551 WeakPolarHBondContact O-CB 3.29Å
546	P	74.8	Confident	83.5	Confident	114 Å²	114	63.9 Å²	63.9	74%	0.74	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	138.6	-178.8	-28.8	36.1	0	0	0	113.9	T548 D551	P546-T548 VanDerWaalsContact C-N 3.3Å; P546-T548 PolarHBondContact O-N 2.85Å; P546-D551 VanDerWaalsContact CA-OD2 3.29Å; P546-D551 WeakPolarHBondContact CA-OD2 3.2Å
547	G	74.8	Confident	83.7	Confident	54 Å²	54	54.6 Å²	54.6	56%	0.557	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	15	178.4	0	0	0	0	0	115.3	D551	G547-D551 PolarHBondContact N-OD2 3.48Å
548	T	87.8	Confident	83.9	Confident	32 Å²	32	50.4 Å²	50.4	20%	0.196	29%	0.289	C	S	.	.	S	Bend	trans	-101.4	167.6	176	67.1	0	0	0	0	112.1	G526 A545 P546 A550 D551 L552	G526-T548 WeakPolarHBondContact CA-OG1 3.22Å; G526-T548 PolarHBondContact O-OG1 1.81Å; A545-T548 HydrophobicContact CB-CG2 3.74Å; A545-T548 WeakPolarHBondContact O-CB 3.46Å; A545-T548 WeakPolarHBondContact O-CG2 2.78Å; A545-T548 PolarHBondContact O-N 3.13Å; A545-T548 PolarHBondContact O-OG1 2.93Å; P546-T548 VanDerWaalsContact C-N 3.3Å; P546-T548 PolarHBondContact O-N 2.85Å; T548-A550 VanDerWaalsContact C-N 3.25Å; T548-A550 PolarHBondContact O-N 3.31Å; T548-A550 VanDerWaalsContact O-N 3.14Å; T548-D551 WeakPolarHBondContact O-CA 3.35Å; T548-D551 WeakPolarHBondContact O-CB 3.32Å; T548-D551 PolarHBondContact O-N 2.84Å; T548-L552 WeakPolarHBondContact O-CG 3.28Å; T548-L552 PolarHBondContact O-N 3.14Å
549	P	88.1	Confident	84	Confident	30 Å²	30	52.9 Å²	52.9	20%	0.195	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-28.6	-175.5	-27	35.1	0	0	0	116	K518 D520 C553	K518-P549 WeakPolarHBondContact O-CB 3.37Å; K518-P549 WeakPolarHBondContact O-CG 3.35Å; D520-P549 HydrophobicContact CB-CG 4.16Å; P549-C553 VanDerWaalsContact O-CB 3.25Å; P549-C553 WeakPolarHBondContact O-CB 3.46Å; P549-C553 PolarHBondContact O-N 3.16Å
550	A	88.8	Confident	83.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-76	-22.6	173.1	0	0	0	0	0	113.9	M517 F525 F527 V544 T548 C553 L557	M517-A550 HydrophobicContact CE-CB 3.82Å; M517-A550 HydrophobicContact SD-CB 3.88Å; F525-A550 VanDerWaalsContact O-CB 3.24Å; F525-A550 WeakPolarHBondContact O-CB 3.2Å; F525-A550 PolarHBondContact O-N 2.93Å; F527-A550 HydrophobicContact CB-CB 3.9Å; F527-A550 HydrophobicContact CD1-CB 3.73Å; F527-A550 HydrophobicContact CG-CB 4.17Å; V544-A550 HydrophobicContact CG1-CB 4.15Å; T548-A550 VanDerWaalsContact C-N 3.25Å; T548-A550 PolarHBondContact O-N 3.31Å; T548-A550 VanDerWaalsContact O-N 3.14Å; A550-C553 PolarHBondContact O-SG 2.76Å; A550-L557 HydrophobicContact CB-CB 4.3Å; A550-L557 HydrophobicContact CB-CD2 4.07Å; A550-L557 WeakPolarHBondContact O-CB 3.46Å; A550-L557 PolarHBondContact O-N 3.33Å
551	D	85.5	Confident	83.3	Confident	23 Å²	23	52 Å²	52	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-84.1	-29	175.4	-166.1	53.8	0	0	0	112.2	V544 A545 P546 G547 T548 R556	V544-D551 HydrophobicContact CG1-CB 3.94Å; A545-D551 WeakPolarHBondContact O-CB 3.29Å; P546-D551 VanDerWaalsContact CA-OD2 3.29Å; P546-D551 WeakPolarHBondContact CA-OD2 3.2Å; G547-D551 PolarHBondContact N-OD2 3.48Å; T548-D551 WeakPolarHBondContact O-CA 3.35Å; T548-D551 WeakPolarHBondContact O-CB 3.32Å; T548-D551 PolarHBondContact O-N 2.84Å; D551-R556 VanDerWaalsContact O-CD 3.24Å; D551-R556 WeakPolarHBondContact O-CD 3.27Å; D551-R556 WeakPolarHBondContact O-CG 3.45Å; D551-R556 PolarHBondContact O-NE 3.05Å; D551-R556 IonicContact OD1-CZ 3.78Å; D551-R556 IonicContact OD1-NE 2.66Å; D551-R556 PolarHBondContact OD1-NE 2.98Å; D551-R556 IonicContact OD1-NH2 3.23Å; D551-R556 PolarHBondContact OD1-NH2 2.92Å
552	L	80.4	Confident	83.3	Confident	121 Å²	121	54.7 Å²	54.7	63%	0.634	31%	0.307	S	S	*	.	H	α-helix	trans	-103.7	-3.5	-175	-59.6	175.6	0	0	0	114.1	T548	T548-L552 WeakPolarHBondContact O-CG 3.28Å; T548-L552 PolarHBondContact O-N 3.14Å
553	C	80.7	Confident	83.7	Confident	13 Å²	13	53 Å²	53	9%	0.088	30%	0.295	C	S	.	.	S	Bend	trans	-71.8	156.7	175.9	63	0	0	0	0	111.7	I515 M517 P549 A550 P555 R556	I515-C553 HydrophobicContact CG2-CB 4.4Å; M517-C553 HydrophobicContact CB-CB 4.14Å; P549-C553 VanDerWaalsContact O-CB 3.25Å; P549-C553 WeakPolarHBondContact O-CB 3.46Å; P549-C553 PolarHBondContact O-N 3.16Å; A550-C553 PolarHBondContact O-SG 2.76Å; C553-P555 CarbonylContact C-O 3.52Å; C553-P555 CarbonylContact O-C 3.55Å; C553-P555 PolarHBondContact SG-O 2.94Å; C553-R556 WeakPolarHBondContact O-CA 3.44Å; C553-R556 PolarHBondContact O-N 2.63Å
554	V	69.8	Low	84.2	Confident	124 Å²	124	46.8 Å²	46.8	75%	0.752	28%	0.275	S	S	*	.	S	Bend	trans	-125.6	114.8	177	-177	0	0	0	0	109
555	P	78.8	Confident	84.3	Confident	46 Å²	46	48.2 Å²	48.2	30%	0.299	28%	0.281	S	S	.	.	S	Bend	cis	-63.8	149.9	-4.2	-21.2	35.2	0	0	0	113.4	V513 I515 C553	V513-P555 HydrophobicContact CG1-CB 4.01Å; V513-P555 HydrophobicContact CG1-CG 3.76Å; I515-P555 HydrophobicContact CG1-CB 4.38Å; C553-P555 CarbonylContact C-O 3.52Å; C553-P555 CarbonylContact O-C 3.55Å; C553-P555 PolarHBondContact SG-O 2.94Å
556	R	82.4	Confident	84.9	Confident	132 Å²	132	46.6 Å²	46.6	50%	0.498	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-71.1	139.6	178.6	-178.8	170.8	177.3	-145.1	5.6	110.8	D551 C553 N558	D551-R556 VanDerWaalsContact O-CD 3.24Å; D551-R556 WeakPolarHBondContact O-CD 3.27Å; D551-R556 WeakPolarHBondContact O-CG 3.45Å; D551-R556 PolarHBondContact O-NE 3.05Å; D551-R556 IonicContact OD1-CZ 3.78Å; D551-R556 IonicContact OD1-NE 2.66Å; D551-R556 PolarHBondContact OD1-NE 2.98Å; D551-R556 IonicContact OD1-NH2 3.23Å; D551-R556 PolarHBondContact OD1-NH2 2.92Å; C553-R556 WeakPolarHBondContact O-CA 3.44Å; C553-R556 PolarHBondContact O-N 2.63Å; R556-N558 PolarHBondContact O-ND2 2.85Å
557	L	88.2	Confident	85.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-82.3	135.2	172	-169.1	72	0	0	0	109.3	I515 M517 F527 V541 A550 D561 L596 V598	I515-L557 HydrophobicContact CD1-CB 4.14Å; I515-L557 HydrophobicContact CD1-CD1 3.59Å; I515-L557 HydrophobicContact CD1-CG 4.5Å; M517-L557 HydrophobicContact CE-CB 4.23Å; M517-L557 HydrophobicContact CE-CD2 4.11Å; F527-L557 HydrophobicContact CB-CD2 3.92Å; F527-L557 HydrophobicContact CD1-CD2 3.88Å; F527-L557 HydrophobicContact CD2-CD2 3.6Å; F527-L557 HydrophobicContact CE1-CD2 4.28Å; F527-L557 HydrophobicContact CE2-CD2 4.02Å; F527-L557 HydrophobicContact CG-CD2 3.52Å; F527-L557 HydrophobicContact CZ-CD2 4.35Å; V541-L557 HydrophobicContact CG1-CD2 4.26Å; V541-L557 HydrophobicContact CG1-CG 4.36Å; V541-L557 HydrophobicContact CG2-CD1 3.89Å; V541-L557 HydrophobicContact CG2-CD2 3.85Å; V541-L557 HydrophobicContact CG2-CG 3.9Å; A550-L557 HydrophobicContact CB-CB 4.3Å; A550-L557 HydrophobicContact CB-CD2 4.07Å; A550-L557 WeakPolarHBondContact O-CB 3.46Å; A550-L557 PolarHBondContact O-N 3.33Å; L557-D561 HydrophobicContact CD1-CB 4.46Å; L557-L596 HydrophobicContact CD1-CD1 4.15Å; L557-L596 HydrophobicContact CD2-CD1 4.05Å; L557-V598 HydrophobicContact CD1-CG1 3.97Å
558	N	84.8	Confident	85.9	Confident	17 Å²	17	43.6 Å²	43.6	9%	0.091	25%	0.248	C	C	.	.			trans	-121.5	156.5	-173.2	-54.5	-80.9	0	0	0	112.7	V541 R556 G560 D561 Y604	V541-N558 WeakPolarHBondContact CB-O 3.35Å; V541-N558 WeakPolarHBondContact CG1-O 3.21Å; R556-N558 PolarHBondContact O-ND2 2.85Å; N558-G560 PolarHBondContact O-N 3.15Å; N558-D561 PolarHBondContact N-OD2 2.74Å; N558-D561 PolarHBondContact ND2-OD2 2.9Å; N558-D561 PolarHBondContact O-N 3.44Å; N558-Y604 HydrophobicContact CB-CE2 4.2Å; N558-Y604 WeakPolarHBondContact CB-OH 3.37Å; N558-Y604 VanDerWaalsContact CG-CZ 3.42Å; N558-Y604 PolarHBondContact OD1-OH 2.82Å
559	E	87.1	Confident	85.9	Confident	114 Å²	114	48 Å²	48	53%	0.533	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	119.6	175.1	-59.6	-166.3	169.7	0	0	110.5	R543 V544	R543-E559 WeakPolarHBondContact CA-OE1 3.31Å; R543-E559 WeakPolarHBondContact CG-OE1 3.18Å; V544-E559 HydrophobicContact CB-CG 4.39Å; V544-E559 HydrophobicContact CG2-CG 4.22Å; V544-E559 PolarHBondContact N-OE1 3.35Å
560	G	78.6	Confident	85.9	Confident	19 Å²	19	50.9 Å²	50.9	20%	0.196	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	110.4	-17.8	-174.6	0	0	0	0	0	114.7	I540 V541 N558 Q562 N601	I540-G560 WeakPolarHBondContact CG2-O 3.19Å; V541-G560 PolarHBondContact O-N 3.05Å; N558-G560 PolarHBondContact O-N 3.15Å; G560-Q562 PolarHBondContact O-N 3.45Å; G560-N601 WeakPolarHBondContact O-CB 3.44Å
561	D	90.6	Very high	86.1	Confident	3 Å²	3	51 Å²	51	2%	0.016	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-59.5	129.9	179.7	-69.7	-17.5	0	0	0	111.2	I540 V541 L557 N558 V598 P600 N601	I540-D561 CarbonylContact C-O 3.48Å; I540-D561 WeakPolarHBondContact CA-O 3.37Å; V541-D561 HydrophobicContact CB-CB 4.5Å; V541-D561 HydrophobicContact CG2-CB 4.17Å; V541-D561 PolarHBondContact N-O 3.05Å; L557-D561 HydrophobicContact CD1-CB 4.46Å; N558-D561 PolarHBondContact N-OD2 2.74Å; N558-D561 PolarHBondContact ND2-OD2 2.9Å; N558-D561 PolarHBondContact O-N 3.44Å; D561-V598 HydrophobicContact CB-CB 4.42Å; D561-P600 WeakPolarHBondContact OD1-CA 3.34Å; D561-N601 PolarHBondContact OD1-N 2.93Å
562	Q	92	Very high	86.1	Confident	57 Å²	57	53.2 Å²	53.2	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.7	176.2	177.6	-171.9	16.3	0	0	109.2	P538 V539 I540 G560 V598 R599	P538-Q562 HydrophobicContact CB-CG 4.29Å; V539-Q562 CarbonylContact O-C 3.51Å; V539-Q562 WeakPolarHBondContact O-CA 3.36Å; I540-Q562 HydrophobicContact CG1-CB 4.41Å; G560-Q562 PolarHBondContact O-N 3.45Å; Q562-V598 CarbonylContact O-C 3.52Å; Q562-V598 WeakPolarHBondContact O-CA 3.34Å; Q562-V598 WeakPolarHBondContact O-CB 3.45Å; Q562-R599 HydrophobicContact CB-CB 4.27Å; Q562-R599 PolarHBondContact N-O 3.25Å; Q562-R599 PolarHBondContact O-N 2.83Å
563	V	92.1	Very high	86.5	Confident	5 Å²	5	55 Å²	55	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.8	171.9	-170.8	0	0	0	0	109.1	V539 V541 I566 I571 L596 V598	V539-V563 HydrophobicContact CB-CB 4.43Å; V539-V563 HydrophobicContact CG1-CB 3.97Å; V539-V563 HydrophobicContact CG1-CG2 4.19Å; V539-V563 PolarHBondContact O-N 3.15Å; V541-V563 HydrophobicContact CG2-CG2 4.17Å; V563-I566 HydrophobicContact CG1-CD1 4.17Å; V563-I566 HydrophobicContact CG1-CG1 3.77Å; V563-I571 HydrophobicContact CB-CD1 3.85Å; V563-I571 HydrophobicContact CG1-CD1 3.61Å; V563-L596 HydrophobicContact CG1-CD2 4.14Å; V563-V598 HydrophobicContact CG2-CG1 4.37Å
564	V	91.4	Very high	87.1	Confident	28 Å²	28	56.1 Å²	56.1	17%	0.17	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-47.6	-178.5	-175.5	0	0	0	0	110.9	L512 I571 L597 R599	L512-V564 HydrophobicContact CD2-CG2 4.11Å; V564-I571 VanDerWaalsContact O-CG1 3.32Å; V564-I571 WeakPolarHBondContact O-CG1 3.33Å; V564-I571 PolarHBondContact O-N 3.22Å; V564-L597 WeakPolarHBondContact CA-O 3.44Å; V564-L597 WeakPolarHBondContact CB-O 3.29Å; V564-L597 PolarHBondContact N-O 3.41Å; V564-R599 HydrophobicContact CG2-CB 4.36Å
565	L	92.8	Very high	88.1	Confident	44 Å²	44	52.3 Å²	52.3	23%	0.23	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.9	173.6	-48.6	178.9	0	0	0	111.5	R569 D570 L596 L597	L565-R569 CarbonylContact C-O 3.6Å; L565-R569 VanDerWaalsContact CA-O 3.26Å; L565-R569 WeakPolarHBondContact CA-O 3.23Å; L565-D570 HydrophobicContact CD2-CB 3.87Å; L565-L596 WeakPolarHBondContact O-CA 3.48Å; L565-L597 HydrophobicContact CB-CB 3.78Å; L565-L597 HydrophobicContact CD1-CB 4.1Å; L565-L597 HydrophobicContact CD1-CD2 3.58Å; L565-L597 HydrophobicContact CD1-CG 4.49Å; L565-L597 HydrophobicContact CG-CB 3.93Å; L565-L597 HydrophobicContact CG-CD2 3.88Å; L565-L597 PolarHBondContact N-O 3.35Å; L565-L597 PolarHBondContact O-N 2.75Å
566	I	92.9	Very high	88.6	Confident	3 Å²	3	52 Å²	52	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.6	169.9	-56.9	-172.1	0	0	0	108.7	V563 G568 R569 I571 V579 F582 I583 L594 L596	V563-I566 HydrophobicContact CG1-CD1 4.17Å; V563-I566 HydrophobicContact CG1-CG1 3.77Å; I566-G568 PolarHBondContact O-N 3.42Å; I566-R569 PolarHBondContact N-O 2.92Å; I566-R569 WeakPolarHBondContact O-CB 3.43Å; I566-R569 PolarHBondContact O-N 3.21Å; I566-I571 HydrophobicContact CB-CG2 4.25Å; I566-I571 HydrophobicContact CD1-CD1 4.13Å; I566-I571 HydrophobicContact CD1-CG2 4.01Å; I566-I571 HydrophobicContact CG1-CD1 4.2Å; I566-I571 HydrophobicContact CG1-CG2 3.89Å; I566-V579 HydrophobicContact CD1-CG1 3.95Å; I566-F582 HydrophobicContact CG2-CB 4.13Å; I566-I583 HydrophobicContact CD1-CD1 4.22Å; I566-I583 HydrophobicContact CD1-CG1 3.79Å; I566-L594 HydrophobicContact CG2-CD1 3.84Å; I566-L596 HydrophobicContact CB-CD2 4.47Å; I566-L596 HydrophobicContact CD1-CD2 4.35Å; I566-L596 HydrophobicContact CG1-CD2 3.89Å; I566-L596 HydrophobicContact CG2-CD2 4.31Å
567	N	89.1	Confident	88.9	Confident	41 Å²	41	51.4 Å²	51.4	22%	0.219	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	38.2	-174.5	-61.4	-30.3	0	0	0	113.9	R569 S586 M595	N567-R569 VanDerWaalsContact C-N 3.3Å; N567-R569 PolarHBondContact O-N 3.48Å; N567-S586 PolarHBondContact ND2-OG 3.11Å; N567-M595 PolarHBondContact N-O 2.96Å; N567-M595 PolarHBondContact OD1-N 3.08Å
568	G	82	Confident	89	Confident	64 Å²	64	55.3 Å²	55.3	66%	0.66	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	0.9	-178	0	0	0	0	0	115.6	I566	I566-G568 PolarHBondContact O-N 3.42Å
569	R	87.1	Confident	89.3	Confident	125 Å²	125	54.5 Å²	54.5	47%	0.472	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.2	170	169.1	178.2	-66.5	-103.4	-6.2	110.1	L565 I566 N567 H574 F582	L565-R569 CarbonylContact C-O 3.6Å; L565-R569 VanDerWaalsContact CA-O 3.26Å; L565-R569 WeakPolarHBondContact CA-O 3.23Å; I566-R569 PolarHBondContact N-O 2.92Å; I566-R569 WeakPolarHBondContact O-CB 3.43Å; I566-R569 PolarHBondContact O-N 3.21Å; N567-R569 VanDerWaalsContact C-N 3.3Å; N567-R569 PolarHBondContact O-N 3.48Å; R569-H574 PolarHBondContact NH1-NE2 3.2Å; R569-H574 VanDerWaalsContact NH1-NE2 3.16Å; R569-F582 HydrophobicContact CG-CE2 4.48Å
570	D	89.4	Confident	89.4	Confident	89 Å²	89	50.8 Å²	50.8	48%	0.476	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.9	167.5	-165.2	-32.1	0	0	0	110.5	L565 A572 H574	L565-D570 HydrophobicContact CD2-CB 3.87Å; D570-A572 VanDerWaalsContact OD1-CB 3.29Å; D570-A572 WeakPolarHBondContact OD1-CB 3.35Å; D570-A572 PolarHBondContact OD1-N 3.05Å; D570-H574 PolarHBondContact O-CE1 3.31Å; D570-H574 PolarHBondContact O-ND1 2.91Å
571	I	92.6	Very high	89.9	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	30%	0.3	C	S	.	.			trans	-111.6	2.4	-177.8	56.5	159.7	0	0	0	114.3	V539 V563 V564 I566 E573 H574 V579 F582	V539-I571 HydrophobicContact CB-CD1 3.74Å; V539-I571 HydrophobicContact CG1-CD1 3.93Å; V539-I571 HydrophobicContact CG2-CD1 3.9Å; V563-I571 HydrophobicContact CB-CD1 3.85Å; V563-I571 HydrophobicContact CG1-CD1 3.61Å; V564-I571 VanDerWaalsContact O-CG1 3.32Å; V564-I571 WeakPolarHBondContact O-CG1 3.33Å; V564-I571 PolarHBondContact O-N 3.22Å; I566-I571 HydrophobicContact CB-CG2 4.25Å; I566-I571 HydrophobicContact CD1-CD1 4.13Å; I566-I571 HydrophobicContact CD1-CG2 4.01Å; I566-I571 HydrophobicContact CG1-CD1 4.2Å; I566-I571 HydrophobicContact CG1-CG2 3.89Å; I571-E573 VanDerWaalsContact C-N 3.29Å; I571-E573 PolarHBondContact O-N 3.13Å; I571-H574 PolarHBondContact O-N 3.27Å; I571-H574 VanDerWaalsContact O-N 3.08Å; I571-V579 HydrophobicContact CB-CG2 4.01Å; I571-V579 HydrophobicContact CD1-CG1 4.31Å; I571-V579 HydrophobicContact CD1-CG2 4.46Å; I571-V579 HydrophobicContact CG2-CG2 4.19Å; I571-F582 HydrophobicContact CG2-CD2 4.18Å
572	A	86.4	Confident	89.9	Confident	69 Å²	69	57 Å²	57	57%	0.57	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.2	-175.5	0	0	0	0	0	114.1	D570	D570-A572 VanDerWaalsContact OD1-CB 3.29Å; D570-A572 WeakPolarHBondContact OD1-CB 3.35Å; D570-A572 PolarHBondContact OD1-N 3.05Å
573	E	88.1	Confident	89.8	Confident	159 Å²	159	55.1 Å²	55.1	74%	0.743	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	2.7	178.8	-59.5	-169.3	147.9	0	0	114	I571	I571-E573 VanDerWaalsContact C-N 3.29Å; I571-E573 PolarHBondContact O-N 3.13Å
574	H	92.4	Very high	89.4	Confident	36 Å²	36	61.4 Å²	61.4	17%	0.167	33%	0.327	C	S	.	.	S	Bend	trans	-92.6	146.9	-176.5	-69.1	89.6	0	0	0	112	Y533 R569 D570 I571 Q578 V579 F582	Y533-H574 WeakPolarHBondContact CB-O 3.12Å; Y533-H574 PolarHBondContact N-O 3Å; R569-H574 PolarHBondContact NH1-NE2 3.2Å; R569-H574 VanDerWaalsContact NH1-NE2 3.16Å; D570-H574 PolarHBondContact O-CE1 3.31Å; D570-H574 PolarHBondContact O-ND1 2.91Å; I571-H574 PolarHBondContact O-N 3.27Å; I571-H574 VanDerWaalsContact O-N 3.08Å; H574-Q578 HydrophobicContact CB-CB 4.3Å; H574-V579 HydrophobicContact CB-CG2 4.02Å; H574-F582 HydrophobicContact CB-CE2 4.21Å; H574-F582 AromaticContact CD2-CE2 3.37Å; H574-F582 WeakPolarHBondContact CD2-CE2 3.4Å; H574-F582 AromaticContact CD2-CZ 3.45Å; H574-F582 VanDerWaalsContact CD2-CZ 3.45Å; H574-F582 WeakPolarHBondContact CD2-CZ 3.28Å; H574-F582 AromaticContact CG-CE2 3.74Å; H574-F582 AromaticContact NE2-CE2 3.68Å; H574-F582 AromaticContact NE2-CZ 3.6Å
575	T	92.1	Very high	88.9	Confident	43 Å²	43	61.4 Å²	61.4	26%	0.264	33%	0.331	S	S	.	.			trans	-75.8	159.9	178.6	69.2	0	0	0	0	112.2	D534 D577 Q578 V579	D534-T575 HydrophobicContact CB-CG2 4.1Å; D534-T575 WeakPolarHBondContact OD1-CA 3.4Å; D534-T575 WeakPolarHBondContact OD1-CB 3.22Å; T575-D577 VanDerWaalsContact C-N 3.29Å; T575-D577 PolarHBondContact O-N 3.41Å; T575-Q578 WeakPolarHBondContact O-CB 3.32Å; T575-Q578 PolarHBondContact O-N 2.9Å; T575-Q578 WeakPolarHBondContact OG1-CG 3.22Å; T575-V579 WeakPolarHBondContact O-CG2 3.35Å; T575-V579 PolarHBondContact O-N 3.44Å
576	H	88.3	Confident	88.4	Confident	40 Å²	40	59.3 Å²	59.3	19%	0.185	32%	0.32	C	S	.	.	H	α-helix	trans	-49.9	-47.6	179	-175.8	76.2	0	0	0	112.9	G531 D534 Q535 Q578 V579 V580	G531-H576 PolarHBondContact O-ND1 2.92Å; D534-H576 PolarHBondContact OD1-N 3.1Å; Q535-H576 VanDerWaalsContact NE2-CB 3.28Å; Q535-H576 VanDerWaalsContact NE2-CG 3.34Å; H576-Q578 PolarHBondContact O-N 3.28Å; H576-V579 PolarHBondContact O-N 3.04Å; H576-V580 WeakPolarHBondContact O-CG2 3.27Å; H576-V580 PolarHBondContact O-N 3.28Å
577	D	89.7	Confident	87.2	Confident	120 Å²	120	61.4 Å²	61.4	64%	0.642	33%	0.334	S	S	*	.	H	α-helix	trans	-67.7	-35.1	-179.6	-68.1	-29.3	0	0	0	112.7	T575 L581	T575-D577 VanDerWaalsContact C-N 3.29Å; T575-D577 PolarHBondContact O-N 3.41Å; D577-L581 VanDerWaalsContact O-CB 3.25Å; D577-L581 WeakPolarHBondContact O-CB 3.49Å; D577-L581 PolarHBondContact O-N 3.07Å
578	Q	89.8	Confident	85.9	Confident	82 Å²	82	67.6 Å²	67.6	38%	0.383	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-41.1	173.8	-69.5	169.7	-13.1	0	0	111.3	H574 T575 H576 L581 F582	H574-Q578 HydrophobicContact CB-CB 4.3Å; T575-Q578 WeakPolarHBondContact O-CB 3.32Å; T575-Q578 PolarHBondContact O-N 2.9Å; T575-Q578 WeakPolarHBondContact OG1-CG 3.22Å; H576-Q578 PolarHBondContact O-N 3.28Å; Q578-L581 WeakPolarHBondContact O-CB 3.5Å; Q578-L581 PolarHBondContact O-N 3.12Å; Q578-F582 HydrophobicContact CB-CE2 4.33Å; Q578-F582 HydrophobicContact CB-CZ 4.31Å; Q578-F582 VanDerWaalsContact O-CD2 3.27Å; Q578-F582 WeakPolarHBondContact O-CD2 3.47Å; Q578-F582 WeakPolarHBondContact O-CG 3.47Å; Q578-F582 PolarHBondContact O-N 2.85Å
579	V	91.3	Very high	84.7	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-46.7	176.5	170.6	0	0	0	0	110.9	V529 V539 I566 I571 H574 T575 H576 L581 F582 I583	V529-V579 HydrophobicContact CG2-CG1 4.47Å; V539-V579 HydrophobicContact CG1-CG1 3.84Å; V539-V579 HydrophobicContact CG2-CG1 4.13Å; V539-V579 HydrophobicContact CG2-CG2 4.11Å; I566-V579 HydrophobicContact CD1-CG1 3.95Å; I571-V579 HydrophobicContact CB-CG2 4.01Å; I571-V579 HydrophobicContact CD1-CG1 4.31Å; I571-V579 HydrophobicContact CD1-CG2 4.46Å; I571-V579 HydrophobicContact CG2-CG2 4.19Å; H574-V579 HydrophobicContact CB-CG2 4.02Å; T575-V579 WeakPolarHBondContact O-CG2 3.35Å; T575-V579 PolarHBondContact O-N 3.44Å; H576-V579 PolarHBondContact O-N 3.04Å; V579-L581 VanDerWaalsContact C-N 3.29Å; V579-L581 PolarHBondContact O-N 3.26Å; V579-F582 PolarHBondContact O-N 3.21Å; V579-I583 WeakPolarHBondContact O-CG1 3.34Å; V579-I583 PolarHBondContact O-N 2.79Å; V579-I583 VanDerWaalsContact O-N 3.14Å
580	V	89.6	Confident	82.9	Confident	35 Å²	35	75.9 Å²	75.9	21%	0.212	38%	0.382	C	S	.	.	H	α-helix	trans	-62.8	-36	174.4	171.2	0	0	0	0	111.5	V529 H576 K584	V529-V580 HydrophobicContact CG2-CG2 3.96Å; H576-V580 WeakPolarHBondContact O-CG2 3.27Å; H576-V580 PolarHBondContact O-N 3.28Å; V580-K584 HydrophobicContact CG1-CD 4.17Å; V580-K584 WeakPolarHBondContact O-CG 3.47Å; V580-K584 PolarHBondContact O-N 3.05Å; V580-K584 VanDerWaalsContact O-N 3.13Å
581	L	88.6	Confident	81.6	Confident	105 Å²	105	74.9 Å²	74.9	55%	0.55	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-41.6	174.7	-177.3	63.3	0	0	0	112.1	D577 Q578 V579 I583 K584 A585	D577-L581 VanDerWaalsContact O-CB 3.25Å; D577-L581 WeakPolarHBondContact O-CB 3.49Å; D577-L581 PolarHBondContact O-N 3.07Å; Q578-L581 WeakPolarHBondContact O-CB 3.5Å; Q578-L581 PolarHBondContact O-N 3.12Å; V579-L581 VanDerWaalsContact C-N 3.29Å; V579-L581 PolarHBondContact O-N 3.26Å; L581-I583 VanDerWaalsContact C-N 3.35Å; L581-I583 PolarHBondContact O-N 3.25Å; L581-K584 PolarHBondContact O-N 2.84Å; L581-A585 VanDerWaalsContact O-CB 3.28Å; L581-A585 WeakPolarHBondContact O-CB 3.32Å; L581-A585 PolarHBondContact O-N 3.33Å
582	F	90.4	Very high	80.6	Confident	47 Å²	47	76.1 Å²	76.1	21%	0.206	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-37.6	176.4	-59.3	-32.9	0	0	0	112.7	I566 R569 I571 H574 Q578 V579 S586	I566-F582 HydrophobicContact CG2-CB 4.13Å; R569-F582 HydrophobicContact CG-CE2 4.48Å; I571-F582 HydrophobicContact CG2-CD2 4.18Å; H574-F582 HydrophobicContact CB-CE2 4.21Å; H574-F582 AromaticContact CD2-CE2 3.37Å; H574-F582 WeakPolarHBondContact CD2-CE2 3.4Å; H574-F582 AromaticContact CD2-CZ 3.45Å; H574-F582 VanDerWaalsContact CD2-CZ 3.45Å; H574-F582 WeakPolarHBondContact CD2-CZ 3.28Å; H574-F582 AromaticContact CG-CE2 3.74Å; H574-F582 AromaticContact NE2-CE2 3.68Å; H574-F582 AromaticContact NE2-CZ 3.6Å; Q578-F582 HydrophobicContact CB-CE2 4.33Å; Q578-F582 HydrophobicContact CB-CZ 4.31Å; Q578-F582 VanDerWaalsContact O-CD2 3.27Å; Q578-F582 WeakPolarHBondContact O-CD2 3.47Å; Q578-F582 WeakPolarHBondContact O-CG 3.47Å; Q578-F582 PolarHBondContact O-N 2.85Å; V579-F582 PolarHBondContact O-N 3.21Å; F582-S586 PolarHBondContact O-N 3.29Å; F582-S586 PolarHBondContact O-OG 3.13Å
583	I	89.6	Confident	80.5	Confident	19 Å²	19	75.1 Å²	75.1	10%	0.097	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-50.2	173.4	-64.8	168.2	0	0	0	109.6	F525 F527 V529 I566 V579 L581 S586 L594	F525-I583 HydrophobicContact CD2-CG2 3.95Å; F525-I583 HydrophobicContact CE2-CG2 4.38Å; F527-I583 HydrophobicContact CE1-CG2 4.41Å; F527-I583 HydrophobicContact CE2-CD1 4.06Å; F527-I583 HydrophobicContact CZ-CD1 3.96Å; F527-I583 HydrophobicContact CZ-CG1 4.41Å; F527-I583 HydrophobicContact CZ-CG2 4.13Å; V529-I583 HydrophobicContact CG1-CD1 4.1Å; V529-I583 HydrophobicContact CG2-CD1 4.17Å; I566-I583 HydrophobicContact CD1-CD1 4.22Å; I566-I583 HydrophobicContact CD1-CG1 3.79Å; V579-I583 WeakPolarHBondContact O-CG1 3.34Å; V579-I583 PolarHBondContact O-N 2.79Å; V579-I583 VanDerWaalsContact O-N 3.14Å; L581-I583 VanDerWaalsContact C-N 3.35Å; L581-I583 PolarHBondContact O-N 3.25Å; I583-S586 VanDerWaalsContact O-CB 3.23Å; I583-S586 WeakPolarHBondContact O-CB 3.33Å; I583-S586 PolarHBondContact O-N 2.97Å; I583-S586 PolarHBondContact O-OG 3.22Å; I583-L594 HydrophobicContact CG2-CD2 4.14Å
584	K	83.4	Confident	80.6	Confident	136 Å²	136	67.6 Å²	67.6	59%	0.591	34%	0.343	S	S	*	.	H	α-helix	trans	-63.7	-45.5	180	-70.4	170.4	-179.2	173.7	0	113.1	V580 L581 S586 C587	V580-K584 HydrophobicContact CG1-CD 4.17Å; V580-K584 WeakPolarHBondContact O-CG 3.47Å; V580-K584 PolarHBondContact O-N 3.05Å; V580-K584 VanDerWaalsContact O-N 3.13Å; L581-K584 PolarHBondContact O-N 2.84Å; K584-S586 PolarHBondContact O-N 3.06Å; K584-C587 WeakPolarHBondContact O-CB 3.2Å; K584-C587 PolarHBondContact O-N 3.37Å
585	A	82.4	Confident	80.6	Confident	29 Å²	29	68.6 Å²	68.6	24%	0.24	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-65.8	-7.6	179	0	0	0	0	0	113.8	L581 C587 E588	L581-A585 VanDerWaalsContact O-CB 3.28Å; L581-A585 WeakPolarHBondContact O-CB 3.32Å; L581-A585 PolarHBondContact O-N 3.33Å; A585-C587 PolarHBondContact O-N 2.69Å; A585-E588 PolarHBondContact O-N 2.78Å
586	S	80.7	Confident	80.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-68.4	-25.2	170.7	-57	0	0	0	0	112.4	N567 F582 I583 K584 E588 L594	N567-S586 PolarHBondContact ND2-OG 3.11Å; F582-S586 PolarHBondContact O-N 3.29Å; F582-S586 PolarHBondContact O-OG 3.13Å; I583-S586 VanDerWaalsContact O-CB 3.23Å; I583-S586 WeakPolarHBondContact O-CB 3.33Å; I583-S586 PolarHBondContact O-N 2.97Å; I583-S586 PolarHBondContact O-OG 3.22Å; K584-S586 PolarHBondContact O-N 3.06Å; S586-E588 VanDerWaalsContact C-N 3.28Å; S586-E588 PolarHBondContact O-N 3.22Å; S586-L594 VanDerWaalsContact OG-CD1 3.27Å; S586-L594 WeakPolarHBondContact OG-CD1 3.17Å
587	C	68.9	Low	80.8	Confident	46 Å²	46	65.6 Å²	65.6	31%	0.311	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-74.2	-16.2	175.6	-59.6	0	0	0	0	113.5	G523 F525 K584 A585	G523-C587 PolarHBondContact O-SG 3.04Å; F525-C587 WeakPolarHBondContact CE2-SG 3.12Å; K584-C587 WeakPolarHBondContact O-CB 3.2Å; K584-C587 PolarHBondContact O-N 3.37Å; A585-C587 PolarHBondContact O-N 2.69Å
588	E	61	Low	80.9	Confident	171 Å²	171	59.9 Å²	59.9	80%	0.799	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-101.2	-4.8	-174	-62.6	176.9	175.5	0	0	113.3	A585 S586	A585-E588 PolarHBondContact O-N 2.78Å; S586-E588 VanDerWaalsContact C-N 3.28Å; S586-E588 PolarHBondContact O-N 3.22Å
589	R	56.2	Low	80.8	Confident	152 Å²	152	60.5 Å²	60.5	57%	0.574	30%	0.3	S	S	*	.	S	Bend	trans	-94.1	152.4	-177.7	-73	-176.5	171.6	-154.1	-4.3	112.3	S591 G592	R589-S591 PolarHBondContact O-N 3Å; R589-G592 PolarHBondContact O-N 2.96Å
590	H	51.2	Low	80.3	Confident	212 Å²	212	62.6 Å²	62.6	98%	0.981	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-15.7	178.4	-56.7	89.9	0	0	0	116.8
591	S	62.2	Low	79	Confident	68 Å²	68	66 Å²	66	48%	0.476	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-28.3	175.9	53.2	0	0	0	0	114.4	R589 E593	R589-S591 PolarHBondContact O-N 3Å; S591-E593 PolarHBondContact O-N 3.48Å; S591-E593 VanDerWaalsContact O-N 3.13Å
592	G	71.3	Confident	76.6	Confident	29 Å²	29	64.5 Å²	64.5	30%	0.299	33%	0.334	S	S	.	.			trans	58.7	17	-169.6	0	0	0	0	0	114.6	P519 R589	P519-G592 VanDerWaalsContact CD-O 3.23Å; P519-G592 WeakPolarHBondContact CD-O 3.25Å; R589-G592 PolarHBondContact O-N 2.96Å
593	E	83.2	Confident	73.9	Confident	49 Å²	49	69.3 Å²	69.3	23%	0.229	37%	0.367	C	S	.	.			trans	-126	135	-172.8	-76.5	177.2	-161.6	0	0	110.7	K518 S591	K518-E593 HydrophobicContact CD-CG 4.24Å; K518-E593 VanDerWaalsContact CE-CD 3.46Å; K518-E593 WeakPolarHBondContact CE-OE1 3.26Å; K518-E593 HydrophobicContact CG-CG 3.73Å; K518-E593 IonicContact NZ-OE1 3.56Å; K518-E593 PolarHBondContact NZ-OE1 3.32Å; S591-E593 PolarHBondContact O-N 3.48Å; S591-E593 VanDerWaalsContact O-N 3.13Å
594	L	91.3	Very high	71	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.3	167.1	173.6	70.1	0	0	0	109	R516 M517 F525 F527 I566 I583 S586 L596	R516-L594 WeakPolarHBondContact CA-O 3.36Å; M517-L594 HydrophobicContact CG-CB 4.09Å; M517-L594 HydrophobicContact CG-CD2 4.11Å; M517-L594 HydrophobicContact CG-CG 4.39Å; M517-L594 PolarHBondContact N-O 3.27Å; M517-L594 PolarHBondContact O-N 3.26Å; M517-L594 HydrophobicContact SD-CD2 4.01Å; F525-L594 HydrophobicContact CB-CD2 4.37Å; F525-L594 HydrophobicContact CD1-CB 4.03Å; F525-L594 HydrophobicContact CD1-CD2 3.95Å; F525-L594 HydrophobicContact CD2-CD2 3.78Å; F525-L594 HydrophobicContact CE1-CB 3.45Å; F525-L594 VanDerWaalsContact CE1-CB 3.45Å; F525-L594 HydrophobicContact CE1-CD2 4.16Å; F525-L594 HydrophobicContact CE1-CG 4.46Å; F525-L594 HydrophobicContact CE2-CB 4.09Å; F525-L594 HydrophobicContact CE2-CD2 4.02Å; F525-L594 HydrophobicContact CG-CD2 3.75Å; F525-L594 HydrophobicContact CZ-CB 3.5Å; F525-L594 HydrophobicContact CZ-CD2 4.22Å; F525-L594 HydrophobicContact CZ-CG 4.44Å; F527-L594 HydrophobicContact CE1-CD2 3.74Å; F527-L594 HydrophobicContact CZ-CD2 3.92Å; I566-L594 HydrophobicContact CG2-CD1 3.84Å; I583-L594 HydrophobicContact CG2-CD2 4.14Å; S586-L594 VanDerWaalsContact OG-CD1 3.27Å; S586-L594 WeakPolarHBondContact OG-CD1 3.17Å; L594-L596 HydrophobicContact CD1-CD2 3.89Å; L594-L596 HydrophobicContact CD1-CG 4.49Å; L594-L596 HydrophobicContact CD2-CD1 4.3Å; L594-L596 HydrophobicContact CD2-CD2 4.16Å; L594-L596 HydrophobicContact CD2-CG 4.19Å; L594-L596 HydrophobicContact CG-CD2 4.03Å; L594-L596 HydrophobicContact CG-CG 4.1Å
595	M	91.1	Very high	68.3	Low	57 Å²	57	74.5 Å²	74.5	28%	0.281	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.2	170.3	-52.4	-166.8	-65.9	0	0	109.7	L514 I515 R516 N567	L514-M595 HydrophobicContact CD1-CB 4.48Å; I515-M595 CarbonylContact O-C 3.5Å; I515-M595 WeakPolarHBondContact O-CA 3.38Å; R516-M595 HydrophobicContact CG-CG 4.01Å; R516-M595 HydrophobicContact CG-SD 4.43Å; R516-M595 VanDerWaalsContact CZ-SD 3.55Å; N567-M595 PolarHBondContact N-O 2.96Å; N567-M595 PolarHBondContact OD1-N 3.08Å
596	L	93.2	Very high	65.7	Low	0 Å²	0	78.9 Å²	78.9	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.2	174.5	-57.5	176.7	0	0	0	108.8	I515 M517 F527 L557 V563 L565 I566 L594 V598	I515-L596 PolarHBondContact N-O 2.61Å; I515-L596 PolarHBondContact O-N 2.88Å; M517-L596 HydrophobicContact CE-CD1 4.27Å; F527-L596 HydrophobicContact CE1-CD1 4.27Å; F527-L596 HydrophobicContact CE2-CD1 4.16Å; F527-L596 HydrophobicContact CZ-CD1 3.72Å; L557-L596 HydrophobicContact CD1-CD1 4.15Å; L557-L596 HydrophobicContact CD2-CD1 4.05Å; V563-L596 HydrophobicContact CG1-CD2 4.14Å; L565-L596 WeakPolarHBondContact O-CA 3.48Å; I566-L596 HydrophobicContact CB-CD2 4.47Å; I566-L596 HydrophobicContact CD1-CD2 4.35Å; I566-L596 HydrophobicContact CG1-CD2 3.89Å; I566-L596 HydrophobicContact CG2-CD2 4.31Å; L594-L596 HydrophobicContact CD1-CD2 3.89Å; L594-L596 HydrophobicContact CD1-CG 4.49Å; L594-L596 HydrophobicContact CD2-CD1 4.3Å; L594-L596 HydrophobicContact CD2-CD2 4.16Å; L594-L596 HydrophobicContact CD2-CG 4.19Å; L594-L596 HydrophobicContact CG-CD2 4.03Å; L594-L596 HydrophobicContact CG-CG 4.1Å; L596-V598 HydrophobicContact CB-CG1 3.87Å
597	L	91.9	Very high	63.2	Low	20 Å²	20	84.8 Å²	84.8	11%	0.105	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.4	162.1	-168.6	68.2	0	0	0	107.2	L512 L514 V564 L565	L512-L597 HydrophobicContact CB-CD1 3.91Å; L512-L597 HydrophobicContact CB-CD2 4.3Å; L512-L597 HydrophobicContact CB-CG 4Å; L512-L597 HydrophobicContact CD1-CD2 3.63Å; L512-L597 HydrophobicContact CD1-CG 4.08Å; L514-L597 HydrophobicContact CB-CD1 4.11Å; L514-L597 HydrophobicContact CD1-CB 4.45Å; L514-L597 HydrophobicContact CD1-CD1 4.27Å; V564-L597 WeakPolarHBondContact CA-O 3.44Å; V564-L597 WeakPolarHBondContact CB-O 3.29Å; V564-L597 PolarHBondContact N-O 3.41Å; L565-L597 HydrophobicContact CB-CB 3.78Å; L565-L597 HydrophobicContact CD1-CB 4.1Å; L565-L597 HydrophobicContact CD1-CD2 3.58Å; L565-L597 HydrophobicContact CD1-CG 4.49Å; L565-L597 HydrophobicContact CG-CB 3.93Å; L565-L597 HydrophobicContact CG-CD2 3.88Å; L565-L597 PolarHBondContact N-O 3.35Å; L565-L597 PolarHBondContact O-N 2.75Å
598	V	91.8	Very high	61.2	Low	0 Å²	0	90.4 Å²	90.4	0%	0	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153	-174.9	-54.1	0	0	0	0	112	L512 V513 I515 L557 D561 Q562 V563 L596	L512-V598 CarbonylContact C-O 3.46Å; L512-V598 WeakPolarHBondContact CA-O 3.38Å; V513-V598 HydrophobicContact CB-CG2 4.17Å; V513-V598 PolarHBondContact N-O 2.98Å; V513-V598 PolarHBondContact O-N 3.37Å; I515-V598 HydrophobicContact CD1-CG2 3.74Å; I515-V598 HydrophobicContact CG1-CG2 4.33Å; L557-V598 HydrophobicContact CD1-CG1 3.97Å; D561-V598 HydrophobicContact CB-CB 4.42Å; Q562-V598 CarbonylContact O-C 3.52Å; Q562-V598 WeakPolarHBondContact O-CA 3.34Å; Q562-V598 WeakPolarHBondContact O-CB 3.45Å; V563-V598 HydrophobicContact CG2-CG1 4.37Å; L596-V598 HydrophobicContact CB-CG1 3.87Å
599	R	88.4	Confident	59.6	Low	95 Å²	95	91.1 Å²	91.1	36%	0.358	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.2	167	-174.7	176.3	-70.7	117.6	-2.3	108	L512 Q562 V564	L512-R599 HydrophobicContact CD2-CB 3.62Å; L512-R599 HydrophobicContact CD2-CG 4.14Å; Q562-R599 HydrophobicContact CB-CB 4.27Å; Q562-R599 PolarHBondContact N-O 3.25Å; Q562-R599 PolarHBondContact O-N 2.83Å; V564-R599 HydrophobicContact CG2-CB 4.36Å
600	P	80.8	Confident	58.1	Low	44 Å²	44	91.4 Å²	91.4	29%	0.286	48%	0.483	S	S	.	.			trans	-63.5	141.3	-175.9	-24.4	34.7	0	0	0	113.2	N511 V513 D561 A602	N511-P600 WeakPolarHBondContact O-CD 3.29Å; V513-P600 HydrophobicContact CB-CG 4.29Å; V513-P600 HydrophobicContact CG2-CG 3.57Å; D561-P600 WeakPolarHBondContact OD1-CA 3.34Å; P600-A602 PolarHBondContact O-N 2.86Å
601	N	61.6	Low	57.2	Low	106 Å²	106	88.7 Å²	88.7	57%	0.567	47%	0.474	S	S	*	.	S	Bend	trans	-90	96.5	175.8	-179.5	46.2	0	0	0	111.2	G560 D561	G560-N601 WeakPolarHBondContact O-CB 3.44Å; D561-N601 PolarHBondContact OD1-N 2.93Å
602	A	38.7	Very low	55.4	Low	75 Å²	75	92.1 Å²	92.1	62%	0.62	48%	0.483	S	S	*	.	S	Bend	trans	70.3	153.1	-166.2	0	0	0	0	0	114.2	P600	P600-A602 PolarHBondContact O-N 2.86Å
603	V	33.2	Very low	53.2	Low	147 Å²	147	98 Å²	98	89%	0.891	51%	0.507	S	S	*	.			trans	-79.1	125.5	-168.6	-179.8	0	0	0	0	110.7
604	Y	29.1	Very low	50.5	Low	127 Å²	127	104.7 Å²	104.7	50%	0.498	54%	0.539	S	S	.	.			trans	-86.1	132.7	167.3	-83.3	-105.6	0	0	0	110.6	N558 V606	N558-Y604 HydrophobicContact CB-CE2 4.2Å; N558-Y604 WeakPolarHBondContact CB-OH 3.37Å; N558-Y604 VanDerWaalsContact CG-CZ 3.42Å; N558-Y604 PolarHBondContact OD1-OH 2.82Å; Y604-V606 PolarHBondContact O-N 2.89Å; Y604-V606 VanDerWaalsContact O-N 3.17Å
605	D	25.5	Very low	47.4	Very low	138 Å²	138	109.8 Å²	109.8	74%	0.738	57%	0.572	S	S	*	*			trans	-65.6	105.8	153.9	-95	-48.8	0	0	0	108.1	V607	D605-V607 VanDerWaalsContact C-N 3.34Å; D605-V607 PolarHBondContact O-N 3.19Å; D605-V607 VanDerWaalsContact O-N 3.16Å
606	V	27.8	Very low	44.6	Very low	120 Å²	120	114.6 Å²	114.6	73%	0.727	60%	0.598	S	S	*	*			trans	-83.6	84.8	168.9	-176.4	0	0	0	0	107.9	Y604	Y604-V606 PolarHBondContact O-N 2.89Å; Y604-V606 VanDerWaalsContact O-N 3.17Å
607	V	28.3	Very low	41.4	Very low	124 Å²	124	124.1 Å²	124.1	75%	0.752	64%	0.64	S	S	*	*			trans	-85.5	117.3	162.1	-178.5	0	0	0	0	107.2	D605 E609	D605-V607 VanDerWaalsContact C-N 3.34Å; D605-V607 PolarHBondContact O-N 3.19Å; D605-V607 VanDerWaalsContact O-N 3.16Å; V607-E609 PolarHBondContact O-N 3.37Å
608	E	27.7	Very low	38.4	Very low	164 Å²	164	131 Å²	131	77%	0.766	67%	0.672	S	S	*	*			trans	-65	123.9	177.3	-62.1	179.3	128	0	0	110.6	K610	E608-K610 PolarHBondContact O-N 2.99Å
609	E	27.1	Very low	35.3	Very low	186 Å²	186	139.7 Å²	139.7	87%	0.869	71%	0.706	S	S	*	*			trans	-69.9	94.3	165	-77.4	-167.2	137.3	0	0	109.7	V607 L611	V607-E609 PolarHBondContact O-N 3.37Å; E609-L611 PolarHBondContact O-N 2.94Å
610	K	25.7	Very low	32.3	Very low	159 Å²	159	141.3 Å²	141.3	69%	0.691	72%	0.72	S	S	*	*			trans	-83	103.3	158.3	-93.4	-170.6	150.5	-144.2	0	110	E608 E612	E608-K610 PolarHBondContact O-N 2.99Å; K610-E612 IonicContact NZ-OE1 3.03Å; K610-E612 PolarHBondContact NZ-OE1 2.9Å; K610-E612 PolarHBondContact O-N 2.83Å
611	L	30.5	Very low	30	Very low	154 Å²	154	144.3 Å²	144.3	81%	0.806	74%	0.74	S	S	*	*			trans	-62.7	111	153	-105.3	70.9	0	0	0	108.5	E609	E609-L611 PolarHBondContact O-N 2.94Å
612	E	25.1	Very low	28.2	Very low	141 Å²	141	147 Å²	147	66%	0.659	75%	0.749	S	S	*	*			trans	-126.5	132.5	159.9	-69.1	-174.5	-169.9	0	0	107.6	K610	K610-E612 IonicContact NZ-OE1 3.03Å; K610-E612 PolarHBondContact NZ-OE1 2.9Å; K610-E612 PolarHBondContact O-N 2.83Å
613	N	25.4	Very low	28.2	Very low	151 Å²	151	153.1 Å²	153.1	81%	0.807	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-75.5	154.9	-160.1	-55.3	-68.9	0	0	0	113.6
614	E	25.8	Very low	27.8	Very low	191 Å²	191	150.6 Å²	150.6	89%	0.893	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-62.5	136.5	159	-69.5	-166.1	129.9	0	0	110.7
615	P	27.3	Very low	28.4	Very low	107 Å²	107	149.8 Å²	149.8	70%	0.695	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-88.8	129.5	156.5	32.9	-28	0	0	0	110.1	F617	P615-F617 PolarHBondContact O-N 2.97Å
616	D	32.4	Very low	28.9	Very low	157 Å²	157	150.5 Å²	150.5	84%	0.84	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-52	129	176.9	-78.2	-67.4	0	0	0	113.1
617	F	25.9	Very low	28.9	Very low	201 Å²	201	151.8 Å²	151.8	88%	0.882	77%	0.772	S	S	*	*			trans	-134.6	89.9	154.8	-94.5	-74.6	0	0	0	111.9	P615	P615-F617 PolarHBondContact O-N 2.97Å
618	Q	28.6	Very low	29.4	Very low	165 Å²	165	151.2 Å²	151.2	77%	0.771	77%	0.774	S	S	*	*			trans	-67.2	127.1	170.9	-179.2	-177.1	51.3	0	0	111.1
619	Y	25.6	Very low	29.9	Very low	181 Å²	181	149 Å²	149	71%	0.71	77%	0.772	S	S	*	*			trans	-142.2	118.4	156.7	-157.8	-102.9	0	0	0	111.8
620	I	25.6	Very low	30.4	Very low	129 Å²	129	148.6 Å²	148.6	66%	0.662	77%	0.769	S	S	*	*			trans	-88.1	139.5	175.2	-71.5	175.6	0	0	0	107.4
621	P	32.3	Very low	31.1	Very low	107 Å²	107	149 Å²	149	70%	0.695	77%	0.773	S	S	*	*			trans	-81.3	136.2	-151.8	29.9	-36.8	0	0	0	115	K623	P621-K623 PolarHBondContact O-N 3.07Å
622	E	23.9	Very low	32.1	Very low	164 Å²	164	146.4 Å²	146.4	77%	0.766	76%	0.761	S	S	*	*			trans	-79.3	112.1	155.6	-71.3	-166	146.6	0	0	110
623	K	38.7	Very low	33.4	Very low	203 Å²	203	145.2 Å²	145.2	88%	0.883	76%	0.758	S	S	*	*			trans	-81.7	115.4	159.3	-76.4	-176.7	174.7	-178.4	0	108.5	P621	P621-K623 PolarHBondContact O-N 3.07Å
624	A	24.5	Very low	35.5	Very low	93 Å²	93	143.9 Å²	143.9	77%	0.769	75%	0.747	S	S	*	*			trans	-102.7	142.4	156.8	0	0	0	0	0	109.1
625	P	43.7	Very low	38.2	Very low	110 Å²	110	136.5 Å²	136.5	71%	0.714	72%	0.717	S	S	*	*			trans	-94.3	176.2	-174	6.6	14.9	0	0	0	112.7
626	L	35.7	Very low	41.1	Very low	154 Å²	154	131.5 Å²	131.5	81%	0.806	68%	0.684	S	S	*	*			trans	75.8	135.7	176.1	-53.9	131.2	0	0	0	113.6
627	D	27.2	Very low	43.7	Very low	146 Å²	146	130.4 Å²	130.4	78%	0.781	67%	0.668	S	S	*	*			cis	-121.7	119.5	2.5	-79.2	-52.7	0	0	0	112.3
628	S	38.3	Very low	46.5	Very low	113 Å²	113	126.3 Å²	126.3	79%	0.79	65%	0.652	S	S	*	*			trans	-92.3	128.3	160.6	54.6	0	0	0	0	109.4
629	V	37.7	Very low	49.5	Very low	118 Å²	118	118.5 Å²	118.5	72%	0.715	62%	0.615	S	S	*	*	S	Bend	trans	170.1	-19.7	150.8	143.6	0	0	0	0	113.7
630	H	38.8	Very low	52.8	Low	177 Å²	177	110.1 Å²	110.1	82%	0.819	58%	0.583	S	S	*	*	S	Bend	trans	-129.6	22.5	-168.7	-73	-36.4	0	0	0	117.3
631	Q	39.8	Very low	55.7	Low	167 Å²	167	107.1 Å²	107.1	78%	0.78	57%	0.568	S	S	*	*	S	Bend	trans	-105.8	-25.5	-174.7	-138.1	169.9	17.3	0	0	115.7
632	D	50.9	Low	58	Low	100 Å²	100	104.8 Å²	104.8	54%	0.535	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-36.1	-168.2	-58.1	-59.4	0	0	0	114.6	H634 S635	D632-H634 PolarHBondContact O-N 3.33Å; D632-H634 VanDerWaalsContact O-N 3.07Å; D632-S635 WeakPolarHBondContact O-CB 3.37Å; D632-S635 PolarHBondContact O-N 3.48Å; D632-S635 PolarHBondContact O-OG 3.11Å
633	D	52.8	Low	61.2	Low	115 Å²	115	97.3 Å²	97.3	62%	0.615	51%	0.513	S	S	*	.	H	α-helix	trans	-66.1	-17.7	-167.3	-146.8	49.7	0	0	0	114.3	N872	D633-N872 PolarHBondContact OD1-ND2 2.85Å
634	H	70.1	Confident	63.6	Low	123 Å²	123	88.8 Å²	88.8	57%	0.569	48%	0.48	S	S	*	.	H	α-helix	trans	-83	-26.9	171.2	-73.7	-55.2	0	0	0	113.3	D632 R637 E638	D632-H634 PolarHBondContact O-N 3.33Å; D632-H634 VanDerWaalsContact O-N 3.07Å; H634-R637 PolarHBondContact O-N 3.31Å; H634-E638 WeakPolarHBondContact O-CB 3.29Å; H634-E638 WeakPolarHBondContact O-CG 3.17Å; H634-E638 PolarHBondContact O-N 3.33Å
635	S	82	Confident	66.1	Low	36 Å²	36	89.9 Å²	89.9	25%	0.252	47%	0.469	S	S	.	.	H	α-helix	trans	-68.6	-47.5	-169.7	71.4	0	0	0	0	113.4	D632 R637 E638 S639	D632-S635 WeakPolarHBondContact O-CB 3.37Å; D632-S635 PolarHBondContact O-N 3.48Å; D632-S635 PolarHBondContact O-OG 3.11Å; S635-R637 VanDerWaalsContact C-N 3.34Å; S635-R637 PolarHBondContact O-N 2.98Å; S635-E638 PolarHBondContact O-N 2.81Å; S635-S639 PolarHBondContact O-N 2.6Å
636	L	88.1	Confident	67.3	Low	2 Å²	2	85 Å²	85	1%	0.01	44%	0.439	C	S	.	.	H	α-helix	trans	-57.8	-48.6	172.2	169.5	58.7	0	0	0	110.4	E638 S639 M640 I869 N872 Q873 V875 Y909 P916	L636-E638 PolarHBondContact O-N 3.1Å; L636-S639 PolarHBondContact O-N 3.25Å; L636-S639 VanDerWaalsContact O-N 3.14Å; L636-S639 PolarHBondContact O-OG 2.75Å; L636-M640 HydrophobicContact CD1-CE 3.65Å; L636-M640 HydrophobicContact CD1-CG 4.12Å; L636-M640 WeakPolarHBondContact O-CG 3.43Å; L636-M640 PolarHBondContact O-N 3.1Å; L636-I869 HydrophobicContact CD1-CG1 4.12Å; L636-I869 HydrophobicContact CD2-CG2 4.33Å; L636-N872 WeakPolarHBondContact CD2-OD1 3.4Å; L636-Q873 WeakPolarHBondContact CD1-O 3.29Å; L636-V875 HydrophobicContact CD1-CG2 4.03Å; L636-Y909 HydrophobicContact CD1-CD2 4.4Å; L636-Y909 HydrophobicContact CD1-CE2 4.25Å; L636-Y909 HydrophobicContact CD2-CD2 4.32Å; L636-Y909 HydrophobicContact CD2-CE2 3.81Å; L636-Y909 HydrophobicContact CG-CD2 4.37Å; L636-Y909 HydrophobicContact CG-CE2 3.77Å; L636-P916 HydrophobicContact CD2-CG 3.95Å
637	R	87.6	Confident	69.4	Low	135 Å²	135	78.2 Å²	78.2	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-61.5	-40.4	-179.3	-171.2	174.1	179.3	-79.1	-5.3	112.8	H634 S635 M640 I641 Y909	H634-R637 PolarHBondContact O-N 3.31Å; S635-R637 VanDerWaalsContact C-N 3.34Å; S635-R637 PolarHBondContact O-N 2.98Å; R637-M640 PolarHBondContact O-N 3.47Å; R637-I641 HydrophobicContact CG-CD1 4.26Å; R637-I641 WeakPolarHBondContact O-CG1 3.04Å; R637-I641 PolarHBondContact O-N 3.25Å; R637-Y909 WeakPolarHBondContact CA-OH 3.41Å; R637-Y909 WeakPolarHBondContact CB-OH 3.32Å
638	E	84.8	Confident	71.8	Confident	114 Å²	114	77.7 Å²	77.7	53%	0.533	40%	0.399	S	S	.	.	H	α-helix	trans	-68	-34.7	174.8	-77	-177.3	-172.5	0	0	112.8	H634 S635 L636 Q642	H634-E638 WeakPolarHBondContact O-CB 3.29Å; H634-E638 WeakPolarHBondContact O-CG 3.17Å; H634-E638 PolarHBondContact O-N 3.33Å; S635-E638 PolarHBondContact O-N 2.81Å; L636-E638 PolarHBondContact O-N 3.1Å; E638-Q642 WeakPolarHBondContact O-CB 3.5Å; E638-Q642 WeakPolarHBondContact O-CG 3.39Å; E638-Q642 PolarHBondContact O-N 2.94Å; E638-Q642 PolarHBondContact O-NE2 3.27Å
639	S	91.8	Very high	73.3	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.007	38%	0.383	C	S	.	.	H	α-helix	trans	-65.6	-39	174.1	74.4	0	0	0	0	112.1	S635 L636 Q642 L643 P874 V875	S635-S639 PolarHBondContact O-N 2.6Å; L636-S639 PolarHBondContact O-N 3.25Å; L636-S639 VanDerWaalsContact O-N 3.14Å; L636-S639 PolarHBondContact O-OG 2.75Å; S639-Q642 PolarHBondContact O-N 3.3Å; S639-L643 WeakPolarHBondContact O-CB 3.17Å; S639-L643 PolarHBondContact O-N 3.48Å; S639-P874 WeakPolarHBondContact OG-CA 3.27Å; S639-V875 PolarHBondContact OG-N 2.85Å
640	M	94.9	Very high	75.2	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-70.4	-39.9	177.8	-66.2	-63.6	174.9	0	0	112.4	L636 R637 Q642 L643 A644 I869 V875 I905 L906 Y909	L636-M640 HydrophobicContact CD1-CE 3.65Å; L636-M640 HydrophobicContact CD1-CG 4.12Å; L636-M640 WeakPolarHBondContact O-CG 3.43Å; L636-M640 PolarHBondContact O-N 3.1Å; R637-M640 PolarHBondContact O-N 3.47Å; M640-Q642 VanDerWaalsContact C-N 3.34Å; M640-Q642 PolarHBondContact O-N 2.82Å; M640-L643 PolarHBondContact O-N 2.83Å; M640-L643 HydrophobicContact SD-CD2 4.29Å; M640-A644 PolarHBondContact O-N 3.24Å; M640-I869 HydrophobicContact CE-CD1 3.73Å; M640-I869 HydrophobicContact CE-CG1 3.72Å; M640-V875 HydrophobicContact CE-CB 3.72Å; M640-V875 HydrophobicContact CE-CG1 4.4Å; M640-V875 HydrophobicContact CE-CG2 3.49Å; M640-V875 VanDerWaalsContact CE-CG2 3.49Å; M640-I905 HydrophobicContact CE-CG2 3.82Å; M640-I905 HydrophobicContact SD-CG2 4Å; M640-L906 HydrophobicContact CB-CD2 4.33Å; M640-L906 WeakPolarHBondContact O-CD2 3.35Å; M640-L906 HydrophobicContact SD-CD2 4.1Å; M640-Y909 HydrophobicContact CB-CD1 3.76Å; M640-Y909 HydrophobicContact CB-CE1 3.73Å; M640-Y909 HydrophobicContact CB-CG 4.35Å; M640-Y909 HydrophobicContact CE-CD2 4.24Å; M640-Y909 HydrophobicContact CE-CG 4.21Å; M640-Y909 HydrophobicContact CG-CD1 3.58Å; M640-Y909 HydrophobicContact CG-CD2 3.92Å; M640-Y909 HydrophobicContact CG-CE1 3.78Å; M640-Y909 HydrophobicContact CG-CE2 4.12Å; M640-Y909 HydrophobicContact CG-CG 3.65Å; M640-Y909 HydrophobicContact SD-CD1 4.33Å; M640-Y909 HydrophobicContact SD-CG 4.07Å
641	I	86.1	Confident	76.6	Confident	67 Å²	67	64 Å²	64	34%	0.344	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-45.2	171.9	-68.9	165.3	0	0	0	110.5	R637 L643 A644 E645	R637-I641 HydrophobicContact CG-CD1 4.26Å; R637-I641 WeakPolarHBondContact O-CG1 3.04Å; R637-I641 PolarHBondContact O-N 3.25Å; I641-L643 VanDerWaalsContact C-N 3.31Å; I641-L643 PolarHBondContact O-N 3.46Å; I641-A644 PolarHBondContact O-N 2.9Å; I641-E645 HydrophobicContact CG2-CG 4.45Å; I641-E645 WeakPolarHBondContact O-CB 3.32Å; I641-E645 WeakPolarHBondContact O-CG 3.36Å; I641-E645 PolarHBondContact O-N 3.45Å
642	Q	81.7	Confident	78.4	Confident	57 Å²	57	56.4 Å²	56.4	27%	0.266	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-32.5	176.6	-74.9	179.4	92.2	0	0	113.1	E638 S639 M640 G646	E638-Q642 WeakPolarHBondContact O-CB 3.5Å; E638-Q642 WeakPolarHBondContact O-CG 3.39Å; E638-Q642 PolarHBondContact O-N 2.94Å; E638-Q642 PolarHBondContact O-NE2 3.27Å; S639-Q642 PolarHBondContact O-N 3.3Å; M640-Q642 VanDerWaalsContact C-N 3.34Å; M640-Q642 PolarHBondContact O-N 2.82Å; Q642-G646 WeakPolarHBondContact O-CA 3.47Å; Q642-G646 PolarHBondContact O-N 2.9Å
643	L	89.1	Confident	79.7	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-69	-42.8	174.7	-177.1	58.1	0	0	0	111.7	S639 M640 I641 G646 L647 V652 P877 C902 I905 L906	S639-L643 WeakPolarHBondContact O-CB 3.17Å; S639-L643 PolarHBondContact O-N 3.48Å; M640-L643 PolarHBondContact O-N 2.83Å; M640-L643 HydrophobicContact SD-CD2 4.29Å; I641-L643 VanDerWaalsContact C-N 3.31Å; I641-L643 PolarHBondContact O-N 3.46Å; L643-G646 PolarHBondContact O-N 3.03Å; L643-L647 HydrophobicContact CG-CD1 4.47Å; L643-L647 WeakPolarHBondContact O-CB 3.47Å; L643-L647 PolarHBondContact O-N 3.33Å; L643-V652 HydrophobicContact CD1-CG2 4.25Å; L643-P877 HydrophobicContact CD1-CG 3.89Å; L643-P877 HydrophobicContact CD2-CG 4.01Å; L643-C902 HydrophobicContact CD1-CB 3.86Å; L643-I905 HydrophobicContact CD2-CB 4.13Å; L643-I905 HydrophobicContact CD2-CG2 3.62Å; L643-L906 HydrophobicContact CB-CD2 4.11Å; L643-L906 HydrophobicContact CD2-CD2 4.03Å; L643-L906 HydrophobicContact CD2-CG 4.03Å; L643-L906 HydrophobicContact CG-CD1 4.37Å; L643-L906 HydrophobicContact CG-CD2 4.08Å; L643-L906 HydrophobicContact CG-CG 4.08Å
644	A	89.8	Confident	80.6	Confident	24 Å²	24	51.3 Å²	51.3	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-51.3	175.4	0	0	0	0	0	112.2	M640 I641 G646 L647 I648 L906	M640-A644 PolarHBondContact O-N 3.24Å; I641-A644 PolarHBondContact O-N 2.9Å; A644-G646 VanDerWaalsContact C-N 3.26Å; A644-G646 PolarHBondContact O-N 2.87Å; A644-L647 PolarHBondContact O-N 2.79Å; A644-I648 VanDerWaalsContact O-CG1 3.29Å; A644-I648 WeakPolarHBondContact O-CG1 3.23Å; A644-I648 PolarHBondContact O-N 3.46Å; A644-L906 HydrophobicContact CB-CD1 3.87Å; A644-L906 HydrophobicContact CB-CD2 4.21Å
645	E	78	Confident	80.6	Confident	115 Å²	115	48.9 Å²	48.9	54%	0.537	26%	0.257	S	S	.	.	H	α-helix	trans	-58.2	-40	173.1	-71.3	-176.4	170	0	0	111.6	I641 I648 T649	I641-E645 HydrophobicContact CG2-CG 4.45Å; I641-E645 WeakPolarHBondContact O-CB 3.32Å; I641-E645 WeakPolarHBondContact O-CG 3.36Å; I641-E645 PolarHBondContact O-N 3.45Å; E645-I648 PolarHBondContact O-N 3.42Å; E645-T649 WeakPolarHBondContact O-CB 3.46Å; E645-T649 VanDerWaalsContact O-CG2 3.28Å; E645-T649 WeakPolarHBondContact O-CG2 3.27Å; E645-T649 PolarHBondContact O-N 3.11Å; E645-T649 PolarHBondContact O-OG1 3Å
646	G	68.1	Low	80.8	Confident	8 Å²	8	47.3 Å²	47.3	8%	0.082	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-31.9	179.8	0	0	0	0	0	114.3	Q642 L643 A644 G650 T651 V652	Q642-G646 WeakPolarHBondContact O-CA 3.47Å; Q642-G646 PolarHBondContact O-N 2.9Å; L643-G646 PolarHBondContact O-N 3.03Å; A644-G646 VanDerWaalsContact C-N 3.26Å; A644-G646 PolarHBondContact O-N 2.87Å; G646-G650 CarbonylContact O-C 3.4Å; G646-G650 PolarHBondContact O-N 2.64Å; G646-T651 PolarHBondContact O-N 2.86Å; G646-V652 VanDerWaalsContact C-CG2 3.43Å; G646-V652 WeakPolarHBondContact O-CB 3.4Å; G646-V652 PolarHBondContact O-N 2.85Å
647	L	79.5	Confident	80.3	Confident	11 Å²	11	52 Å²	52	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-75.3	-46.4	172	-85.5	165.7	0	0	0	112	L643 A644 T649 G650 V652 R899 C902 E903 L906	L643-L647 HydrophobicContact CG-CD1 4.47Å; L643-L647 WeakPolarHBondContact O-CB 3.47Å; L643-L647 PolarHBondContact O-N 3.33Å; A644-L647 PolarHBondContact O-N 2.79Å; L647-T649 VanDerWaalsContact C-N 3.34Å; L647-T649 PolarHBondContact O-N 3.41Å; L647-G650 PolarHBondContact O-N 3.02Å; L647-V652 HydrophobicContact CD2-CG1 4.45Å; L647-R899 HydrophobicContact CD2-CG 3.79Å; L647-C902 HydrophobicContact CD1-CB 3.81Å; L647-C902 HydrophobicContact CD2-CB 3.98Å; L647-C902 HydrophobicContact CG-CB 4.13Å; L647-E903 HydrophobicContact CD1-CG 3.68Å; L647-E903 HydrophobicContact CD2-CG 3.97Å; L647-E903 HydrophobicContact CG-CG 4.45Å; L647-L906 HydrophobicContact CD1-CD1 3.6Å
648	I	78.4	Confident	79.8	Confident	136 Å²	136	52.4 Å²	52.4	70%	0.697	28%	0.279	S	S	*	.	H	α-helix	trans	-59.6	-45.1	177.9	-68.2	164.7	0	0	0	110.8	A644 E645 G650	A644-I648 VanDerWaalsContact O-CG1 3.29Å; A644-I648 WeakPolarHBondContact O-CG1 3.23Å; A644-I648 PolarHBondContact O-N 3.46Å; E645-I648 PolarHBondContact O-N 3.42Å; I648-G650 VanDerWaalsContact C-N 3.3Å; I648-G650 PolarHBondContact O-N 2.92Å
649	T	70.1	Confident	79.6	Confident	72 Å²	72	47.9 Å²	47.9	44%	0.442	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-2	-179.5	60.6	0	0	0	0	114.4	E645 L647 T651	E645-T649 WeakPolarHBondContact O-CB 3.46Å; E645-T649 VanDerWaalsContact O-CG2 3.28Å; E645-T649 WeakPolarHBondContact O-CG2 3.27Å; E645-T649 PolarHBondContact O-N 3.11Å; E645-T649 PolarHBondContact O-OG1 3Å; L647-T649 VanDerWaalsContact C-N 3.34Å; L647-T649 PolarHBondContact O-N 3.41Å; T649-T651 PolarHBondContact O-N 2.88Å; T649-T651 WeakPolarHBondContact OG1-CB 3.34Å; T649-T651 PolarHBondContact OG1-OG1 3.11Å
650	G	76.5	Confident	79.2	Confident	22 Å²	22	51.3 Å²	51.3	23%	0.227	27%	0.271	C	S	.	.	S	Bend	trans	66.8	-1	-173.4	0	0	0	0	0	115.4	G646 L647 I648 V652 L653 T654	G646-G650 CarbonylContact O-C 3.4Å; G646-G650 PolarHBondContact O-N 2.64Å; L647-G650 PolarHBondContact O-N 3.02Å; I648-G650 VanDerWaalsContact C-N 3.3Å; I648-G650 PolarHBondContact O-N 2.92Å; G650-V652 VanDerWaalsContact C-N 3.26Å; G650-V652 PolarHBondContact O-N 2.7Å; G650-L653 PolarHBondContact O-N 3.18Å; G650-T654 PolarHBondContact O-N 2.78Å; G650-T654 VanDerWaalsContact O-N 3.16Å; G650-T654 PolarHBondContact O-OG1 2.89Å
651	T	69.3	Low	79	Confident	25 Å²	25	56.7 Å²	56.7	15%	0.153	29%	0.291	C	S	.	.	H	α-helix	trans	-57.5	-38.6	-176.9	-56.5	0	0	0	0	111.9	G646 T649 L653 T654 Q655	G646-T651 PolarHBondContact O-N 2.86Å; T649-T651 PolarHBondContact O-N 2.88Å; T649-T651 WeakPolarHBondContact OG1-CB 3.34Å; T649-T651 PolarHBondContact OG1-OG1 3.11Å; T651-L653 VanDerWaalsContact C-N 3.33Å; T651-L653 PolarHBondContact O-N 2.99Å; T651-T654 PolarHBondContact O-N 2.66Å; T651-Q655 HydrophobicContact CG2-CG 4.49Å; T651-Q655 WeakPolarHBondContact O-CG 3.33Å; T651-Q655 PolarHBondContact O-N 3.46Å
652	V	76	Confident	79.2	Confident	9 Å²	9	57.3 Å²	57.3	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-58.6	-42.4	176.8	160.7	0	0	0	0	111.4	L643 G646 L647 G650 Q655 F656 Y898 C902	L643-V652 HydrophobicContact CD1-CG2 4.25Å; G646-V652 VanDerWaalsContact C-CG2 3.43Å; G646-V652 WeakPolarHBondContact O-CB 3.4Å; G646-V652 PolarHBondContact O-N 2.85Å; L647-V652 HydrophobicContact CD2-CG1 4.45Å; G650-V652 VanDerWaalsContact C-N 3.26Å; G650-V652 PolarHBondContact O-N 2.7Å; V652-Q655 PolarHBondContact O-N 2.84Å; V652-F656 PolarHBondContact O-N 3.48Å; V652-Y898 HydrophobicContact CG1-CD1 4.08Å; V652-Y898 HydrophobicContact CG1-CE1 3.34Å; V652-Y898 WeakPolarHBondContact O-CE1 2.83Å; V652-C902 HydrophobicContact CG1-CB 4.41Å
653	L	79.1	Confident	79.6	Confident	35 Å²	35	57.8 Å²	57.8	18%	0.183	29%	0.293	C	S	.	.	H	α-helix	trans	-69.4	-43.2	177.5	-60.6	172.4	0	0	0	111.6	G650 T651 Q655 F656 D657 P895 Y898 R899	G650-L653 PolarHBondContact O-N 3.18Å; T651-L653 VanDerWaalsContact C-N 3.33Å; T651-L653 PolarHBondContact O-N 2.99Å; L653-Q655 VanDerWaalsContact C-N 3.28Å; L653-Q655 PolarHBondContact O-N 3.38Å; L653-F656 WeakPolarHBondContact O-CB 3.4Å; L653-F656 PolarHBondContact O-N 3.21Å; L653-F656 VanDerWaalsContact O-N 3.09Å; L653-D657 PolarHBondContact O-N 3.19Å; L653-P895 HydrophobicContact CD2-CB 4.07Å; L653-P895 WeakPolarHBondContact CD2-O 3.44Å; L653-Y898 HydrophobicContact CD2-CD1 4.26Å; L653-R899 HydrophobicContact CD1-CG 4.43Å; L653-R899 HydrophobicContact CD2-CB 3.81Å; L653-R899 HydrophobicContact CD2-CG 4.24Å
654	T	71.3	Confident	79.3	Confident	72 Å²	72	62.4 Å²	62.4	44%	0.442	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-38.7	176.8	-54.1	0	0	0	0	112.2	G650 T651 Q658	G650-T654 PolarHBondContact O-N 2.78Å; G650-T654 VanDerWaalsContact O-N 3.16Å; G650-T654 PolarHBondContact O-OG1 2.89Å; T651-T654 PolarHBondContact O-N 2.66Å; T654-Q658 WeakPolarHBondContact O-CG 3.27Å; T654-Q658 PolarHBondContact O-N 2.89Å
655	Q	69.6	Low	79.2	Confident	73 Å²	73	65.1 Å²	65.1	34%	0.341	35%	0.353	S	S	.	.	H	α-helix	trans	-67.3	-37.3	175.2	-72.4	172.5	-34.6	0	0	112.6	T651 V652 L653 Q658 L659 L878	T651-Q655 HydrophobicContact CG2-CG 4.49Å; T651-Q655 WeakPolarHBondContact O-CG 3.33Å; T651-Q655 PolarHBondContact O-N 3.46Å; V652-Q655 PolarHBondContact O-N 2.84Å; L653-Q655 VanDerWaalsContact C-N 3.28Å; L653-Q655 PolarHBondContact O-N 3.38Å; Q655-Q658 PolarHBondContact O-N 3.4Å; Q655-L659 PolarHBondContact O-N 3.44Å; Q655-L878 HydrophobicContact CB-CD1 4.01Å; Q655-L878 HydrophobicContact CB-CD2 3.79Å; Q655-L878 HydrophobicContact CG-CD2 4.44Å
656	F	87.9	Confident	79.9	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.009	34%	0.341	C	S	.	.	H	α-helix	trans	-68.8	-35.4	177.3	169.5	-87.7	0	0	0	113.4	V652 L653 Q658 L659 L878 V881 I892 P895 Y898	V652-F656 PolarHBondContact O-N 3.48Å; L653-F656 WeakPolarHBondContact O-CB 3.4Å; L653-F656 PolarHBondContact O-N 3.21Å; L653-F656 VanDerWaalsContact O-N 3.09Å; F656-Q658 VanDerWaalsContact C-N 3.32Å; F656-L659 PolarHBondContact O-N 3.41Å; F656-L878 HydrophobicContact CB-CD1 4.28Å; F656-V881 HydrophobicContact CE2-CG1 4.32Å; F656-I892 HydrophobicContact CE2-CB 3.94Å; F656-I892 HydrophobicContact CE2-CG2 3.72Å; F656-I892 HydrophobicContact CZ-CB 4.28Å; F656-I892 HydrophobicContact CZ-CG2 3.79Å; F656-I892 WeakPolarHBondContact CZ-O 3.39Å; F656-P895 HydrophobicContact CD1-CG 4.36Å; F656-P895 HydrophobicContact CE1-CG 4.25Å; F656-Y898 HydrophobicContact CB-CD1 3.37Å; F656-Y898 HydrophobicContact CB-CE1 3.48Å; F656-Y898 VanDerWaalsContact CB-CE1 3.48Å; F656-Y898 HydrophobicContact CB-CG 4.04Å; F656-Y898 HydrophobicContact CD1-CD1 4.35Å; F656-Y898 HydrophobicContact CD1-CG 4.45Å; F656-Y898 AromaticContact CD2-CD1 3.6Å; F656-Y898 HydrophobicContact CD2-CD1 3.6Å; F656-Y898 AromaticContact CD2-CD2 3.58Å; F656-Y898 HydrophobicContact CD2-CD2 3.58Å; F656-Y898 HydrophobicContact CD2-CE1 4.1Å; F656-Y898 HydrophobicContact CD2-CE2 4.1Å; F656-Y898 AromaticContact CD2-CG 3.31Å; F656-Y898 HydrophobicContact CD2-CG 3.31Å; F656-Y898 HydrophobicContact CE2-CD1 4.46Å; F656-Y898 AromaticContact CE2-CD2 3.98Å; F656-Y898 HydrophobicContact CE2-CD2 3.98Å; F656-Y898 AromaticContact CE2-CG 3.78Å; F656-Y898 HydrophobicContact CE2-CG 3.78Å; F656-Y898 AromaticContact CG-CD1 3.52Å; F656-Y898 HydrophobicContact CG-CD1 3.52Å; F656-Y898 HydrophobicContact CG-CD2 4.37Å; F656-Y898 HydrophobicContact CG-CE1 4.07Å; F656-Y898 AromaticContact CG-CG 3.69Å; F656-Y898 HydrophobicContact CG-CG 3.69Å
657	D	76.9	Confident	81.1	Confident	101 Å²	101	65.9 Å²	65.9	54%	0.54	36%	0.361	S	S	.	.	H	α-helix	trans	-71	-28.3	173.9	-73	-36.2	0	0	0	112.3	L653 P895	L653-D657 PolarHBondContact O-N 3.19Å; D657-P895 WeakPolarHBondContact OD1-CG 3.29Å
658	Q	76.4	Confident	81.9	Confident	143 Å²	143	66.8 Å²	66.8	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-79.2	-25.2	172	-70.6	173.8	7.8	0	0	113.3	T654 Q655 F656 Y660	T654-Q658 WeakPolarHBondContact O-CG 3.27Å; T654-Q658 PolarHBondContact O-N 2.89Å; Q655-Q658 PolarHBondContact O-N 3.4Å; F656-Q658 VanDerWaalsContact C-N 3.32Å; Q658-Y660 PolarHBondContact O-N 3.17Å
659	L	80.6	Confident	82.7	Confident	19 Å²	19	63.7 Å²	63.7	10%	0.099	36%	0.356	C	S	.	.	S	Bend	trans	-64.6	126.4	177.1	179.5	63.4	0	0	0	110.1	Q655 F656 R661 L878 V881 R882 R885	Q655-L659 PolarHBondContact O-N 3.44Å; F656-L659 PolarHBondContact O-N 3.41Å; L659-R661 PolarHBondContact O-N 3.27Å; L659-L878 HydrophobicContact CB-CD1 4.26Å; L659-L878 HydrophobicContact CD2-CD1 4.09Å; L659-V881 HydrophobicContact CD2-CB 4.17Å; L659-V881 HydrophobicContact CD2-CG1 3.73Å; L659-R882 HydrophobicContact CD1-CB 4.01Å; L659-R882 HydrophobicContact CD1-CG 4Å; L659-R882 HydrophobicContact CD2-CB 4.42Å; L659-R885 PolarHBondContact O-NH1 3.48Å
660	Y	84.3	Confident	84	Confident	73 Å²	73	60.8 Å²	60.8	29%	0.286	34%	0.338	S	S	.	.			trans	-52.1	140.1	-178.3	49.5	-97.8	0	0	0	112.2	Q658 K663 R882 R885 D886	Q658-Y660 PolarHBondContact O-N 3.17Å; Y660-K663 HydrophobicContact CE2-CB 4.12Å; Y660-K663 HydrophobicContact CE2-CG 4.33Å; Y660-R882 HydrophobicContact CE1-CG 4.45Å; Y660-R882 WeakPolarHBondContact OH-CG 3.47Å; Y660-R885 HydrophobicContact CE2-CB 4.4Å; Y660-R885 WeakPolarHBondContact O-CD 3.43Å; Y660-R885 PolarHBondContact O-NH1 3.03Å; Y660-D886 WeakPolarHBondContact CE2-OD1 3.39Å; Y660-D886 PolarHBondContact OH-OD1 2.91Å
661	R	89.4	Confident	84.9	Confident	118 Å²	118	59.9 Å²	59.9	45%	0.445	33%	0.329	S	S	.	.	S	Bend	trans	-80.8	-24.7	177.7	-68.9	-171.4	76.7	88.4	-3	112.5	L659 M890 Q893	L659-R661 PolarHBondContact O-N 3.27Å; R661-M890 HydrophobicContact CB-CG 4.02Å; R661-M890 WeakPolarHBondContact O-CA 3.42Å; R661-M890 WeakPolarHBondContact O-CG 3.23Å; R661-M890 PolarHBondContact O-N 3.18Å; R661-Q893 PolarHBondContact NH1-O 2.99Å; R661-Q893 PolarHBondContact NH2-O 3.1Å
662	K	90.6	Very high	86	Confident	81 Å²	81	65.1 Å²	65.1	35%	0.352	35%	0.349	S	S	.	.	S	Bend	trans	-139.5	132.8	178.4	-79.4	160.7	175.7	176.2	0	107.5	M668 D684 Y688 A889	K662-M668 HydrophobicContact CD-CE 4.01Å; K662-M668 HydrophobicContact CD-SD 4.17Å; K662-M668 HydrophobicContact CG-CE 4.23Å; K662-M668 HydrophobicContact CG-SD 4.46Å; K662-D684 PolarHBondContact NZ-O 3.31Å; K662-D684 VanDerWaalsContact NZ-O 3.15Å; K662-Y688 WeakPolarHBondContact CA-OH 3.27Å; K662-A889 HydrophobicContact CG-CB 3.75Å
663	K	90	Very high	87	Confident	67 Å²	67	68.1 Å²	68.1	29%	0.291	37%	0.365	S	S	.	.			trans	-65.2	128.8	179.9	-170.9	-174.2	-167.4	154.5	0	109.5	Y660 M666 Y688 D886	Y660-K663 HydrophobicContact CE2-CB 4.12Å; Y660-K663 HydrophobicContact CE2-CG 4.33Å; K663-M666 HydrophobicContact CB-CB 4.35Å; K663-M666 HydrophobicContact CB-CG 3.88Å; K663-M666 HydrophobicContact CD-CE 4.03Å; K663-M666 HydrophobicContact CD-CG 3.92Å; K663-M666 HydrophobicContact CG-CG 4.22Å; K663-M666 PolarHBondContact O-N 3.29Å; K663-Y688 PolarHBondContact N-OH 3.45Å; K663-D886 HydrophobicContact CD-CB 4.1Å; K663-D886 WeakPolarHBondContact CD-OD1 3.17Å; K663-D886 WeakPolarHBondContact CE-OD1 3.44Å; K663-D886 WeakPolarHBondContact CE-OD2 3.46Å; K663-D886 VanDerWaalsContact CG-OD1 3.29Å; K663-D886 WeakPolarHBondContact CG-OD1 3.12Å; K663-D886 IonicContact NZ-OD1 3.93Å; K663-D886 IonicContact NZ-OD2 2.69Å; K663-D886 PolarHBondContact NZ-OD2 3.48Å
664	P	84.1	Confident	87.7	Confident	104 Å²	104	71.5 Å²	71.5	68%	0.675	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	141.3	172.1	-26.4	35.7	0	0	0	111.7	M666	P664-M666 VanDerWaalsContact C-N 3.27Å; P664-M666 PolarHBondContact O-N 3.44Å
665	G	88.3	Confident	88.8	Confident	81 Å²	81	73.2 Å²	73.2	84%	0.835	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-16.7	-178.1	0	0	0	0	0	116.3	T667	G665-T667 PolarHBondContact O-N 2.66Å
666	M	91	Very high	90.1	Very high	57 Å²	57	69.9 Å²	69.9	28%	0.281	38%	0.376	S	S	.	.			trans	-79	122.8	179.7	-72.8	-65.5	171.4	0	0	112.7	K663 P664 Y688 A690	K663-M666 HydrophobicContact CB-CB 4.35Å; K663-M666 HydrophobicContact CB-CG 3.88Å; K663-M666 HydrophobicContact CD-CE 4.03Å; K663-M666 HydrophobicContact CD-CG 3.92Å; K663-M666 HydrophobicContact CG-CG 4.22Å; K663-M666 PolarHBondContact O-N 3.29Å; P664-M666 VanDerWaalsContact C-N 3.27Å; P664-M666 PolarHBondContact O-N 3.44Å; M666-Y688 HydrophobicContact CB-CD1 3.55Å; M666-Y688 HydrophobicContact CB-CD2 4.39Å; M666-Y688 HydrophobicContact CB-CE1 3.7Å; M666-Y688 HydrophobicContact CB-CG 3.93Å; M666-Y688 HydrophobicContact CG-CD1 4.4Å; M666-Y688 HydrophobicContact CG-CD2 4.39Å; M666-Y688 HydrophobicContact CG-CE1 4.48Å; M666-Y688 HydrophobicContact CG-CE2 4.49Å; M666-Y688 HydrophobicContact CG-CG 4.36Å; M666-A690 HydrophobicContact SD-CB 4.05Å
667	T	94.6	Very high	90.5	Very high	82 Å²	82	73.9 Å²	73.9	50%	0.503	40%	0.397	S	S	.	.			trans	-84.4	155.3	179.9	62.2	0	0	0	0	112.3	G665 Y688 D689	G665-T667 PolarHBondContact O-N 2.66Å; T667-Y688 CarbonylContact O-C 3.51Å; T667-Y688 VanDerWaalsContact O-CA 3.26Å; T667-Y688 WeakPolarHBondContact O-CA 3.45Å; T667-D689 VanDerWaalsContact C-OD2 3.23Å; T667-D689 WeakPolarHBondContact CB-OD2 3.39Å; T667-D689 PolarHBondContact O-N 2.94Å; T667-D689 PolarHBondContact OG1-OD2 2.98Å
668	M	96.1	Very high	91.4	Very high	31 Å²	31	72.6 Å²	72.6	15%	0.153	40%	0.396	C	S	.	.			trans	-140.4	49.9	178.3	-70.6	157.6	-89.6	0	0	108.7	K662 K672 P687 Y688 D689	K662-M668 HydrophobicContact CD-CE 4.01Å; K662-M668 HydrophobicContact CD-SD 4.17Å; K662-M668 HydrophobicContact CG-CE 4.23Å; K662-M668 HydrophobicContact CG-SD 4.46Å; M668-K672 WeakPolarHBondContact O-CD 3.5Å; M668-K672 WeakPolarHBondContact O-CE 3.34Å; M668-K672 WeakPolarHBondContact O-CG 3.37Å; M668-P687 WeakPolarHBondContact CG-O 3.48Å; M668-Y688 HydrophobicContact CE-CD1 4.22Å; M668-Y688 HydrophobicContact CE-CE1 4.14Å; M668-Y688 HydrophobicContact CG-CD1 3.88Å; M668-Y688 HydrophobicContact SD-CD1 4.2Å; M668-Y688 HydrophobicContact SD-CE1 4.31Å; M668-D689 PolarHBondContact N-OD2 3Å
669	S	95.7	Very high	92.4	Very high	71 Å²	71	66.4 Å²	66.4	50%	0.497	37%	0.367	S	S	.	.			trans	-87.7	-41	-171.8	64.4	0	0	0	0	112.6	A671 K672 L673 D689	S669-A671 VanDerWaalsContact C-N 3.28Å; S669-A671 PolarHBondContact O-N 2.61Å; S669-K672 PolarHBondContact O-N 2.85Å; S669-L673 PolarHBondContact O-N 3.04Å; S669-D689 WeakPolarHBondContact CB-OD2 3.48Å; S669-D689 VanDerWaalsContact N-CG 3.26Å; S669-D689 PolarHBondContact N-OD1 2.95Å; S669-D689 PolarHBondContact N-OD2 2.89Å; S669-D689 PolarHBondContact OG-OD2 3.02Å
670	C	96	Very high	93.1	Very high	10 Å²	10	66.6 Å²	66.6	7%	0.068	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-59.6	-41.1	-178.7	-179.4	0	0	0	0	111.2	K672 L673 N676 D689 R692 Y701	C670-K672 PolarHBondContact O-N 3.09Å; C670-K672 VanDerWaalsContact O-N 3.12Å; C670-L673 WeakPolarHBondContact O-CG 3.46Å; C670-L673 PolarHBondContact O-N 3.37Å; C670-N676 WeakPolarHBondContact O-CB 3.29Å; C670-N676 PolarHBondContact O-ND2 3.47Å; C670-D689 VanDerWaalsContact CB-OD1 3.24Å; C670-D689 WeakPolarHBondContact CB-OD1 3.45Å; C670-D689 PolarHBondContact N-OD1 3.26Å; C670-R692 VanDerWaalsContact SG-CZ 3.55Å; C670-Y701 VanDerWaalsContact SG-CD2 3.59Å
671	A	95.8	Very high	93.6	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.033	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-62.9	-16.4	176.5	0	0	0	0	0	114.9	S669 N680 P687 Y701	S669-A671 VanDerWaalsContact C-N 3.28Å; S669-A671 PolarHBondContact O-N 2.61Å; A671-N680 PolarHBondContact O-ND2 3.34Å; A671-N680 VanDerWaalsContact O-ND2 3.13Å; A671-P687 HydrophobicContact CB-CG 4.26Å; A671-Y701 HydrophobicContact CB-CE2 3.86Å; A671-Y701 VanDerWaalsContact CB-OH 3.25Å; A671-Y701 WeakPolarHBondContact CB-OH 3.4Å
672	K	93.6	Very high	93.9	Very high	134 Å²	134	63.2 Å²	63.2	58%	0.583	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-106.2	-0.9	-176.8	-60.6	177.2	-174.7	177.3	0	113.3	M668 S669 C670	M668-K672 WeakPolarHBondContact O-CD 3.5Å; M668-K672 WeakPolarHBondContact O-CE 3.34Å; M668-K672 WeakPolarHBondContact O-CG 3.37Å; S669-K672 PolarHBondContact O-N 2.85Å; C670-K672 PolarHBondContact O-N 3.09Å; C670-K672 VanDerWaalsContact O-N 3.12Å
673	L	95.1	Very high	93.7	Very high	73 Å²	73	70.4 Å²	70.4	38%	0.382	38%	0.38	S	S	.	.	S	Bend	trans	-62	141.8	172.4	-62.2	174.6	0	0	0	109.6	S669 C670 Q675 N676 I677	S669-L673 PolarHBondContact O-N 3.04Å; C670-L673 WeakPolarHBondContact O-CG 3.46Å; C670-L673 PolarHBondContact O-N 3.37Å; L673-Q675 VanDerWaalsContact C-N 3.27Å; L673-Q675 PolarHBondContact O-N 3.16Å; L673-Q675 VanDerWaalsContact O-N 3.12Å; L673-N676 HydrophobicContact CB-CB 4.4Å; L673-N676 WeakPolarHBondContact O-CA 3.35Å; L673-N676 PolarHBondContact O-N 2.82Å; L673-I677 PolarHBondContact O-N 2.9Å
674	P	95.5	Very high	93.6	Very high	106 Å²	106	71.9 Å²	71.9	69%	0.688	39%	0.391	S	S	*	.	H	α-helix	trans	-51.3	-41.6	-171.5	-30.4	36.5	0	0	0	114.9	N676	P674-N676 VanDerWaalsContact C-N 3.3Å; P674-N676 PolarHBondContact O-N 3.23Å
675	Q	94.1	Very high	94.1	Very high	107 Å²	107	67.3 Å²	67.3	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-67.1	-25.9	177.1	67.7	-82.6	24.2	0	0	113.9	L673 S678	L673-Q675 VanDerWaalsContact C-N 3.27Å; L673-Q675 PolarHBondContact O-N 3.16Å; L673-Q675 VanDerWaalsContact O-N 3.12Å; Q675-S678 PolarHBondContact O-OG 2.94Å
676	N	96.7	Very high	94.5	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-93.5	-18.6	-176.1	-68.8	-16	0	0	0	113.1	C670 L673 P674 S678 K679 N680 Y701	C670-N676 WeakPolarHBondContact O-CB 3.29Å; C670-N676 PolarHBondContact O-ND2 3.47Å; L673-N676 HydrophobicContact CB-CB 4.4Å; L673-N676 WeakPolarHBondContact O-CA 3.35Å; L673-N676 PolarHBondContact O-N 2.82Å; P674-N676 VanDerWaalsContact C-N 3.3Å; P674-N676 PolarHBondContact O-N 3.23Å; N676-S678 VanDerWaalsContact C-N 3.28Å; N676-S678 PolarHBondContact O-N 3.49Å; N676-K679 PolarHBondContact O-N 2.66Å; N676-K679 VanDerWaalsContact O-N 3.07Å; N676-N680 PolarHBondContact O-ND2 2.81Å; N676-Y701 HydrophobicContact CB-CD1 3.59Å; N676-Y701 HydrophobicContact CB-CE1 3.94Å; N676-Y701 HydrophobicContact CB-CG 3.96Å; N676-Y701 VanDerWaalsContact CG-CD1 3.5Å; N676-Y701 VanDerWaalsContact CG-CG 3.44Å; N676-Y701 WeakPolarHBondContact ND2-CB 3.07Å; N676-Y701 WeakPolarHBondContact OD1-CB 3.43Å
677	I	95.4	Very high	94.8	Very high	87 Å²	87	61.1 Å²	61.1	45%	0.446	31%	0.311	S	S	.	.	H	α-helix	trans	-57.7	-41.4	-179.8	-68.9	171.7	0	0	0	111.2	L673 K679 N680	L673-I677 PolarHBondContact O-N 2.9Å; I677-K679 VanDerWaalsContact C-N 3.29Å; I677-K679 PolarHBondContact O-N 2.96Å; I677-N680 PolarHBondContact O-N 3.48Å
678	S	96.1	Very high	94.9	Very high	73 Å²	73	57.2 Å²	57.2	51%	0.51	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.7	178.3	59	0	0	0	0	113.4	Q675 N676 N680 H729	Q675-S678 PolarHBondContact O-OG 2.94Å; N676-S678 VanDerWaalsContact C-N 3.28Å; N676-S678 PolarHBondContact O-N 3.49Å; S678-N680 PolarHBondContact O-N 2.99Å; S678-H729 PolarHBondContact O-CE1 3.15Å; S678-H729 PolarHBondContact O-NE2 3.28Å
679	K	96.9	Very high	95	Very high	14 Å²	14	57 Å²	57	6%	0.061	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-4.9	177.1	-62.2	-163	174.2	-160.6	0	113.2	N676 I677 E699 Y701 Q724 T730 D733	N676-K679 PolarHBondContact O-N 2.66Å; N676-K679 VanDerWaalsContact O-N 3.07Å; I677-K679 VanDerWaalsContact C-N 3.29Å; I677-K679 PolarHBondContact O-N 2.96Å; K679-E699 WeakPolarHBondContact CE-OE2 3.46Å; K679-E699 IonicContact NZ-OE2 2.7Å; K679-E699 PolarHBondContact NZ-OE2 3.27Å; K679-Y701 HydrophobicContact CB-CD1 4.1Å; K679-Y701 HydrophobicContact CB-CE1 4.07Å; K679-Y701 HydrophobicContact CD-CD1 4.31Å; K679-Q724 PolarHBondContact O-NE2 2.88Å; K679-T730 HydrophobicContact CB-CG2 4.03Å; K679-T730 HydrophobicContact CG-CG2 4.06Å; K679-D733 WeakPolarHBondContact CD-OD2 3.39Å; K679-D733 WeakPolarHBondContact CE-OD2 3.49Å; K679-D733 IonicContact NZ-OD1 3.54Å; K679-D733 PolarHBondContact NZ-OD1 2.92Å; K679-D733 IonicContact NZ-OD2 3.11Å; K679-D733 PolarHBondContact NZ-OD2 3.1Å
680	N	97.2	Very high	95.1	Very high	22 Å²	22	57.2 Å²	57.2	12%	0.118	29%	0.292	C	S	.	.			trans	-98.1	122.7	179.4	-75.1	-83.6	0	0	0	112.3	A671 N676 I677 S678 Y682 Y701 N703	A671-N680 PolarHBondContact O-ND2 3.34Å; A671-N680 VanDerWaalsContact O-ND2 3.13Å; N676-N680 PolarHBondContact O-ND2 2.81Å; I677-N680 PolarHBondContact O-N 3.48Å; S678-N680 PolarHBondContact O-N 2.99Å; N680-Y682 VanDerWaalsContact C-N 3.31Å; N680-Y682 PolarHBondContact O-N 3Å; N680-Y701 PolarHBondContact ND2-OH 2.79Å; N680-Y701 PolarHBondContact OD1-OH 3.32Å; N680-N703 PolarHBondContact OD1-ND2 3.3Å
681	R	94.8	Very high	95.2	Very high	42 Å²	42	58.3 Å²	58.3	16%	0.158	30%	0.298	C	S	.	.	S	Bend	trans	-68.7	-29.4	176.2	-179.7	177.6	-79.2	-80.8	1.5	112.9	G725 P726 L727 V758 K759 S850	R681-G725 PolarHBondContact NE-O 3.45Å; R681-G725 PolarHBondContact NH2-O 3.26Å; R681-P726 PolarHBondContact NH2-O 3.49Å; R681-L727 HydrophobicContact CB-CD1 4.38Å; R681-L727 HydrophobicContact CB-CD2 4.12Å; R681-L727 HydrophobicContact CB-CG 4.37Å; R681-L727 HydrophobicContact CG-CD2 4.22Å; R681-V758 PolarHBondContact NH1-O 2.84Å; R681-K759 PolarHBondContact NE-O 2.75Å; R681-K759 PolarHBondContact NH1-O 3.03Å; R681-S850 WeakPolarHBondContact CD-O 3.38Å
682	Y	94.1	Very high	95.3	Very high	78 Å²	78	59.7 Å²	59.7	31%	0.306	30%	0.303	S	S	.	.	S	Bend	trans	-135.7	130.3	179.8	-60.5	-78	0	0	0	109.4	N680 D684 I685 S850 A851	N680-Y682 VanDerWaalsContact C-N 3.31Å; N680-Y682 PolarHBondContact O-N 3Å; Y682-D684 VanDerWaalsContact C-N 3.3Å; Y682-D684 PolarHBondContact O-N 2.85Å; Y682-I685 HydrophobicContact CG-CG1 4.31Å; Y682-S850 PolarHBondContact OH-OG 2.99Å; Y682-A851 HydrophobicContact CD2-CB 3.83Å; Y682-A851 HydrophobicContact CE2-CB 3.77Å
683	R	87.3	Confident	95.5	Very high	233 Å²	233	53.3 Å²	53.3	88%	0.879	28%	0.275	S	S	*	.	S	Bend	trans	-71.3	-22	-173.4	-69.4	-176.6	175.9	-177.1	-1.5	114
684	D	86.9	Confident	95.7	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	28%	0.279	S	S	.	.	S	Bend	trans	-95.7	-18.5	-176.1	60.1	-50.1	0	0	0	113.8	K662 Y682	K662-D684 PolarHBondContact NZ-O 3.31Å; K662-D684 VanDerWaalsContact NZ-O 3.15Å; Y682-D684 VanDerWaalsContact C-N 3.3Å; Y682-D684 PolarHBondContact O-N 2.85Å
685	I	94.7	Very high	95.8	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.046	25%	0.247	C	C	.	.			trans	-101.1	76.5	-177.5	-44.2	-54.9	0	0	0	110.5	Y682 N703 A851 I853 M890	Y682-I685 HydrophobicContact CG-CG1 4.31Å; I685-N703 PolarHBondContact O-ND2 3Å; I685-A851 HydrophobicContact CG1-CB 4.5Å; I685-A851 HydrophobicContact CG2-CB 4.42Å; I685-I853 HydrophobicContact CD1-CD1 3.8Å; I685-I853 HydrophobicContact CG1-CD1 4.37Å; I685-I853 HydrophobicContact CG2-CD1 3.74Å; I685-I853 HydrophobicContact CG2-CG1 4.2Å; I685-I853 HydrophobicContact CG2-CG2 4.33Å; I685-M890 HydrophobicContact CB-CE 4.44Å; I685-M890 HydrophobicContact CD1-CE 3.41Å; I685-M890 VanDerWaalsContact CD1-CE 3.41Å; I685-M890 HydrophobicContact CD1-SD 4.09Å; I685-M890 HydrophobicContact CG1-CE 4.48Å; I685-M890 HydrophobicContact CG2-CE 4.34Å
686	S	96.3	Very high	95.7	Very high	7 Å²	7	51.3 Å²	51.3	5%	0.049	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-94.4	146.2	175.9	-53.3	0	0	0	0	112.4
687	P	97.4	Very high	95.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-68.1	151	165.5	32.3	-37.5	0	0	0	110.9	M668 A671 R692 Y701 N705	M668-P687 WeakPolarHBondContact CG-O 3.48Å; A671-P687 HydrophobicContact CB-CG 4.26Å; P687-R692 HydrophobicContact CB-CB 4.26Å; P687-Y701 WeakPolarHBondContact CD-OH 3.29Å; P687-Y701 HydrophobicContact CG-CE2 3.79Å; P687-N705 WeakPolarHBondContact CA-OD1 3.47Å; P687-N705 WeakPolarHBondContact CB-OD1 3.35Å
688	Y	98.3	Very high	94.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-68.9	143.1	166.9	-57.2	-48.7	0	0	0	110.6	K662 K663 M666 T667 M668 A690 R692 N705 R885 D886 Q887 A889	K662-Y688 WeakPolarHBondContact CA-OH 3.27Å; K663-Y688 PolarHBondContact N-OH 3.45Å; M666-Y688 HydrophobicContact CB-CD1 3.55Å; M666-Y688 HydrophobicContact CB-CD2 4.39Å; M666-Y688 HydrophobicContact CB-CE1 3.7Å; M666-Y688 HydrophobicContact CB-CG 3.93Å; M666-Y688 HydrophobicContact CG-CD1 4.4Å; M666-Y688 HydrophobicContact CG-CD2 4.39Å; M666-Y688 HydrophobicContact CG-CE1 4.48Å; M666-Y688 HydrophobicContact CG-CE2 4.49Å; M666-Y688 HydrophobicContact CG-CG 4.36Å; T667-Y688 CarbonylContact O-C 3.51Å; T667-Y688 VanDerWaalsContact O-CA 3.26Å; T667-Y688 WeakPolarHBondContact O-CA 3.45Å; M668-Y688 HydrophobicContact CE-CD1 4.22Å; M668-Y688 HydrophobicContact CE-CE1 4.14Å; M668-Y688 HydrophobicContact CG-CD1 3.88Å; M668-Y688 HydrophobicContact SD-CD1 4.2Å; M668-Y688 HydrophobicContact SD-CE1 4.31Å; Y688-A690 VanDerWaalsContact C-N 3.3Å; Y688-A690 PolarHBondContact O-N 3.01Å; Y688-R692 WeakPolarHBondContact O-CB 3.32Å; Y688-R692 PolarHBondContact O-N 3.11Å; Y688-N705 PolarHBondContact N-ND2 3.11Å; Y688-N705 PolarHBondContact O-ND2 3.14Å; Y688-R885 VanDerWaalsContact CE2-O 3.27Å; Y688-R885 WeakPolarHBondContact CE2-O 3.36Å; Y688-R885 PolarHBondContact OH-O 3.11Å; Y688-D886 WeakPolarHBondContact CE2-O 3.44Å; Y688-Q887 WeakPolarHBondContact CD2-O 3.35Å; Y688-A889 HydrophobicContact CD1-CB 4.49Å; Y688-A889 HydrophobicContact CE1-CB 3.77Å; Y688-A889 WeakPolarHBondContact OH-CA 3.31Å
689	D	97.9	Very high	94.1	Very high	27 Å²	27	59.9 Å²	59.9	14%	0.144	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-32	-179	-57.3	-40.7	0	0	0	112.6	T667 M668 S669 C670	T667-D689 VanDerWaalsContact C-OD2 3.23Å; T667-D689 WeakPolarHBondContact CB-OD2 3.39Å; T667-D689 PolarHBondContact O-N 2.94Å; T667-D689 PolarHBondContact OG1-OD2 2.98Å; M668-D689 PolarHBondContact N-OD2 3Å; S669-D689 WeakPolarHBondContact CB-OD2 3.48Å; S669-D689 VanDerWaalsContact N-CG 3.26Å; S669-D689 PolarHBondContact N-OD1 2.95Å; S669-D689 PolarHBondContact N-OD2 2.89Å; S669-D689 PolarHBondContact OG-OD2 3.02Å; C670-D689 VanDerWaalsContact CB-OD1 3.24Å; C670-D689 WeakPolarHBondContact CB-OD1 3.45Å; C670-D689 PolarHBondContact N-OD1 3.26Å
690	A	97.4	Very high	93.9	Very high	75 Å²	75	61.7 Å²	61.7	62%	0.62	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.8	-174.3	0	0	0	0	0	114.6	M666 Y688	M666-A690 HydrophobicContact SD-CB 4.05Å; Y688-A690 VanDerWaalsContact C-N 3.3Å; Y688-A690 PolarHBondContact O-N 3.01Å
691	T	97.9	Very high	94	Very high	32 Å²	32	60.6 Å²	60.6	20%	0.196	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	8.9	-174.8	59.2	0	0	0	0	112.7	N705 Y706 Q887	T691-N705 VanDerWaalsContact C-ND2 3.31Å; T691-N705 VanDerWaalsContact O-CA 3.25Å; T691-N705 WeakPolarHBondContact O-CA 3.34Å; T691-N705 WeakPolarHBondContact O-CB 3.44Å; T691-N705 PolarHBondContact O-ND2 3.3Å; T691-N705 PolarHBondContact OG1-ND2 3.19Å; T691-Y706 PolarHBondContact O-N 2.88Å; T691-Q887 PolarHBondContact OG1-O 3.33Å
692	R	97.9	Very high	94.1	Very high	34 Å²	34	59 Å²	59	13%	0.128	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	154.7	177.7	68.1	-175.9	175.9	104.6	-5.9	110.9	C670 P687 Y688 I694 D700 A704 N705	C670-R692 VanDerWaalsContact SG-CZ 3.55Å; P687-R692 HydrophobicContact CB-CB 4.26Å; Y688-R692 WeakPolarHBondContact O-CB 3.32Å; Y688-R692 PolarHBondContact O-N 3.11Å; R692-I694 HydrophobicContact CG-CG1 4.03Å; R692-D700 IonicContact CZ-OD2 2.96Å; R692-D700 PolarHBondContact NH1-O 3.16Å; R692-D700 VanDerWaalsContact NH1-O 3.12Å; R692-D700 IonicContact NH1-OD1 3.21Å; R692-D700 IonicContact NH1-OD2 2.66Å; R692-D700 PolarHBondContact NH1-OD2 3Å; R692-D700 IonicContact NH2-OD2 3.37Å; R692-D700 PolarHBondContact NH2-OD2 3.4Å; R692-A704 VanDerWaalsContact CA-O 3.23Å; R692-A704 WeakPolarHBondContact CA-O 3.44Å; R692-N705 WeakPolarHBondContact CA-ND2 3.24Å; R692-N705 PolarHBondContact N-ND2 2.82Å
693	V	98.3	Very high	94.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136.3	161.8	-169.8	0	0	0	0	108.4	I702 A704 Y706 I721 M737 Q741	V693-I702 HydrophobicContact CB-CG2 4.23Å; V693-A704 HydrophobicContact CB-CB 4.16Å; V693-A704 HydrophobicContact CG2-CB 3.79Å; V693-A704 PolarHBondContact N-O 2.84Å; V693-A704 VanDerWaalsContact N-O 3.1Å; V693-Y706 HydrophobicContact CB-CE2 4.32Å; V693-Y706 HydrophobicContact CG2-CD2 4.27Å; V693-Y706 HydrophobicContact CG2-CE1 4.23Å; V693-Y706 HydrophobicContact CG2-CE2 3.97Å; V693-I721 HydrophobicContact CG2-CG1 4.24Å; V693-I721 HydrophobicContact CG2-CG2 3.76Å; V693-M737 HydrophobicContact CB-CG 4.39Å; V693-M737 HydrophobicContact CB-SD 4.42Å; V693-M737 HydrophobicContact CG1-CG 3.86Å; V693-M737 HydrophobicContact CG2-SD 4.29Å; V693-Q741 HydrophobicContact CG1-CG 4.14Å
694	I	97.9	Very high	94.9	Very high	90 Å²	90	44.3 Å²	44.3	46%	0.462	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.7	179.2	-52.3	-176	0	0	0	107.3	R692 D700	R692-I694 HydrophobicContact CG-CG1 4.03Å; I694-D700 WeakPolarHBondContact CA-O 3.13Å; I694-D700 HydrophobicContact CG2-CB 3.92Å
695	L	97.2	Very high	95.4	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	23%	0.225	C	C	.	.			trans	-81.8	151.2	178.6	-57.1	-177.6	0	0	0	111.1	D700 I702 D733 Q736 M737	L695-D700 PolarHBondContact N-O 3.21Å; L695-I702 HydrophobicContact CD1-CB 4.2Å; L695-I702 HydrophobicContact CD1-CG2 4.31Å; L695-I702 HydrophobicContact CD2-CG2 4.05Å; L695-I702 HydrophobicContact CG-CB 4.5Å; L695-I702 HydrophobicContact CG-CG2 4.08Å; L695-D733 HydrophobicContact CD1-CB 3.95Å; L695-Q736 HydrophobicContact CD2-CG 4.41Å; L695-M737 HydrophobicContact CD2-CB 3.82Å; L695-M737 HydrophobicContact CD2-CG 4.34Å
696	K	93.1	Very high	95.6	Very high	149 Å²	149	42.5 Å²	42.5	65%	0.648	24%	0.235	S	C	*	.	S	Bend	trans	-88.6	118.1	176.8	-64.6	163.4	-170.8	168.6	0	110.9	Q736 E740	K696-Q736 PolarHBondContact O-NE2 3.06Å; K696-E740 WeakPolarHBondContact CB-OE1 3.37Å; K696-E740 HydrophobicContact CD-CG 4.4Å; K696-E740 WeakPolarHBondContact CG-OE2 3.5Å; K696-E740 PolarHBondContact N-OE1 3.4Å; K696-E740 VanDerWaalsContact N-OE1 3.16Å; K696-E740 PolarHBondContact N-OE2 3.36Å
697	G	86.9	Confident	95.7	Very high	62 Å²	62	42.1 Å²	42.1	64%	0.639	23%	0.233	S	C	*	.	S	Bend	trans	148.5	-155.8	174.9	0	0	0	0	0	112.6
698	N	77.9	Confident	95.7	Very high	177 Å²	177	44.9 Å²	44.9	95%	0.947	25%	0.248	S	C	*	.	S	Bend	trans	-77.2	-24.7	179	-67.3	-10.8	0	0	0	113.2
699	E	88.6	Confident	95.6	Very high	103 Å²	103	45.2 Å²	45.2	48%	0.481	25%	0.249	S	C	.	.			trans	-117.8	110.8	174.2	-64	-167.2	160.9	0	0	108.9	K679	K679-E699 WeakPolarHBondContact CE-OE2 3.46Å; K679-E699 IonicContact NZ-OE2 2.7Å; K679-E699 PolarHBondContact NZ-OE2 3.27Å
700	D	94.7	Very high	95.3	Very high	52 Å²	52	50.9 Å²	50.9	28%	0.278	28%	0.275	S	S	.	.			trans	-96.3	4.2	-169.5	80	-42.4	0	0	0	113.5	R692 I694 L695	R692-D700 IonicContact CZ-OD2 2.96Å; R692-D700 PolarHBondContact NH1-O 3.16Å; R692-D700 VanDerWaalsContact NH1-O 3.12Å; R692-D700 IonicContact NH1-OD1 3.21Å; R692-D700 IonicContact NH1-OD2 2.66Å; R692-D700 PolarHBondContact NH1-OD2 3Å; R692-D700 IonicContact NH2-OD2 3.37Å; R692-D700 PolarHBondContact NH2-OD2 3.4Å; I694-D700 WeakPolarHBondContact CA-O 3.13Å; I694-D700 HydrophobicContact CG2-CB 3.92Å; L695-D700 PolarHBondContact N-O 3.21Å
701	Y	97.8	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.3	-164.1	179.8	-98.8	0	0	0	114.5	C670 A671 N676 K679 N680 P687	C670-Y701 VanDerWaalsContact SG-CD2 3.59Å; A671-Y701 HydrophobicContact CB-CE2 3.86Å; A671-Y701 VanDerWaalsContact CB-OH 3.25Å; A671-Y701 WeakPolarHBondContact CB-OH 3.4Å; N676-Y701 HydrophobicContact CB-CD1 3.59Å; N676-Y701 HydrophobicContact CB-CE1 3.94Å; N676-Y701 HydrophobicContact CB-CG 3.96Å; N676-Y701 VanDerWaalsContact CG-CD1 3.5Å; N676-Y701 VanDerWaalsContact CG-CG 3.44Å; N676-Y701 WeakPolarHBondContact ND2-CB 3.07Å; N676-Y701 WeakPolarHBondContact OD1-CB 3.43Å; K679-Y701 HydrophobicContact CB-CD1 4.1Å; K679-Y701 HydrophobicContact CB-CE1 4.07Å; K679-Y701 HydrophobicContact CD-CD1 4.31Å; N680-Y701 PolarHBondContact ND2-OH 2.79Å; N680-Y701 PolarHBondContact OD1-OH 3.32Å; P687-Y701 WeakPolarHBondContact CD-OH 3.29Å; P687-Y701 HydrophobicContact CG-CE2 3.79Å
702	I	98.3	Very high	93.8	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.046	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.4	162.5	-176.6	161.7	0	0	0	109.4	V693 L695 A704 D733 F734 M737	V693-I702 HydrophobicContact CB-CG2 4.23Å; L695-I702 HydrophobicContact CD1-CB 4.2Å; L695-I702 HydrophobicContact CD1-CG2 4.31Å; L695-I702 HydrophobicContact CD2-CG2 4.05Å; L695-I702 HydrophobicContact CG-CB 4.5Å; L695-I702 HydrophobicContact CG-CG2 4.08Å; I702-A704 HydrophobicContact CG2-CB 4.04Å; I702-A704 PolarHBondContact O-N 2.92Å; I702-D733 HydrophobicContact CD1-CB 4.02Å; I702-F734 HydrophobicContact CD1-CB 4.35Å; I702-M737 HydrophobicContact CD1-CB 4.19Å; I702-M737 HydrophobicContact CD1-CE 4.48Å; I702-M737 HydrophobicContact CD1-SD 3.85Å; I702-M737 HydrophobicContact CG1-SD 4.45Å; I702-M737 HydrophobicContact CG2-CG 4.42Å; I702-M737 HydrophobicContact CG2-SD 4.01Å
703	N	98.4	Very high	92.5	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.011	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	77.9	173.5	-170.8	-39.8	0	0	0	110.6	N680 I685 C723 Q724 R888	N680-N703 PolarHBondContact OD1-ND2 3.3Å; I685-N703 PolarHBondContact O-ND2 3Å; N703-C723 VanDerWaalsContact O-CA 3.3Å; N703-C723 WeakPolarHBondContact O-CA 3.48Å; N703-C723 WeakPolarHBondContact O-CB 3.5Å; N703-Q724 HydrophobicContact CB-CB 4.39Å; N703-Q724 HydrophobicContact CB-CG 3.98Å; N703-Q724 PolarHBondContact O-N 3.43Å; N703-R888 PolarHBondContact OD1-NH1 2.85Å; N703-R888 VanDerWaalsContact OD1-NH1 3.12Å; N703-R888 PolarHBondContact OD1-NH2 2.91Å
704	A	98.6	Very high	91.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.2	178.1	0	0	0	0	0	110.5	R692 V693 I702 I721 A722 C723 M737	R692-A704 VanDerWaalsContact CA-O 3.23Å; R692-A704 WeakPolarHBondContact CA-O 3.44Å; V693-A704 HydrophobicContact CB-CB 4.16Å; V693-A704 HydrophobicContact CG2-CB 3.79Å; V693-A704 PolarHBondContact N-O 2.84Å; V693-A704 VanDerWaalsContact N-O 3.1Å; I702-A704 HydrophobicContact CG2-CB 4.04Å; I702-A704 PolarHBondContact O-N 2.92Å; A704-I721 HydrophobicContact CB-CG2 3.96Å; A704-A722 WeakPolarHBondContact CA-O 3.5Å; A704-C723 HydrophobicContact CB-CB 3.53Å; A704-M737 HydrophobicContact CB-SD 3.54Å; A704-M737 VanDerWaalsContact CB-SD 3.54Å
705	N	98.7	Very high	90.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.7	166	-63.9	94.1	0	0	0	110.1	P687 Y688 T691 R692 I721 A722 Q887 R888	P687-N705 WeakPolarHBondContact CA-OD1 3.47Å; P687-N705 WeakPolarHBondContact CB-OD1 3.35Å; Y688-N705 PolarHBondContact N-ND2 3.11Å; Y688-N705 PolarHBondContact O-ND2 3.14Å; T691-N705 VanDerWaalsContact C-ND2 3.31Å; T691-N705 VanDerWaalsContact O-CA 3.25Å; T691-N705 WeakPolarHBondContact O-CA 3.34Å; T691-N705 WeakPolarHBondContact O-CB 3.44Å; T691-N705 PolarHBondContact O-ND2 3.3Å; T691-N705 PolarHBondContact OG1-ND2 3.19Å; R692-N705 WeakPolarHBondContact CA-ND2 3.24Å; R692-N705 PolarHBondContact N-ND2 2.82Å; N705-I721 CarbonylContact O-C 3.55Å; N705-I721 WeakPolarHBondContact O-CA 3.27Å; N705-A722 PolarHBondContact N-O 2.81Å; N705-A722 PolarHBondContact O-N 3.43Å; N705-Q887 WeakPolarHBondContact CB-O 3.44Å; N705-R888 HydrophobicContact CB-CB 3.94Å; N705-R888 HydrophobicContact CB-CG 4.2Å; N705-R888 WeakPolarHBondContact OD1-CG 3.38Å; N705-R888 PolarHBondContact OD1-NH1 2.8Å
706	Y	98.7	Very high	89.8	Confident	67 Å²	67	59.6 Å²	59.6	26%	0.263	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	143.6	159.9	-58.9	-81.2	0	0	0	109.6	T691 V693 Y720 I721 Q741	T691-Y706 PolarHBondContact O-N 2.88Å; V693-Y706 HydrophobicContact CB-CE2 4.32Å; V693-Y706 HydrophobicContact CG2-CD2 4.27Å; V693-Y706 HydrophobicContact CG2-CE1 4.23Å; V693-Y706 HydrophobicContact CG2-CE2 3.97Å; Y706-Y720 WeakPolarHBondContact CA-O 3.29Å; Y706-I721 HydrophobicContact CD1-CG1 3.98Å; Y706-I721 HydrophobicContact CE1-CD1 4.38Å; Y706-I721 HydrophobicContact CE1-CG1 4.16Å; Y706-Q741 PolarHBondContact OH-NE2 3.14Å; Y706-Q741 PolarHBondContact OH-OE1 3.13Å
707	I	98.4	Very high	89.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	118.8	164.7	-58.3	-176.1	0	0	0	106.3	M709 Y720 A722 I860 M884 Q887 R888 M891	I707-M709 HydrophobicContact CG2-CG 4.11Å; I707-M709 HydrophobicContact CG2-SD 3.72Å; I707-Y720 PolarHBondContact N-O 2.69Å; I707-Y720 WeakPolarHBondContact O-CD2 3.33Å; I707-Y720 PolarHBondContact O-N 3.08Å; I707-A722 HydrophobicContact CD1-CB 3.56Å; I707-A722 HydrophobicContact CG1-CB 4.08Å; I707-I860 HydrophobicContact CD1-CD1 4.27Å; I707-M884 HydrophobicContact CG2-CG 4.07Å; I707-Q887 HydrophobicContact CG1-CB 4.13Å; I707-R888 HydrophobicContact CD1-CB 3.91Å; I707-R888 HydrophobicContact CG1-CB 4.28Å; I707-M891 HydrophobicContact CD1-CE 3.49Å; I707-M891 VanDerWaalsContact CD1-CE 3.49Å; I707-M891 HydrophobicContact CD1-CG 4.13Å; I707-M891 HydrophobicContact CD1-SD 3.79Å
708	N	96.7	Very high	90	Very high	59 Å²	59	53.9 Å²	53.9	32%	0.316	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.8	175.2	-63.7	-23.7	0	0	0	108.4	I717 Q887	N708-I717 HydrophobicContact CB-CG2 4.15Å; N708-Q887 PolarHBondContact O-NE2 3.08Å
709	M	95.7	Very high	90.9	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	95.4	179.6	-57.4	-57.6	-59.3	0	0	109	I707 N718 Y720 I860 T864 I880 T883 M884	I707-M709 HydrophobicContact CG2-CG 4.11Å; I707-M709 HydrophobicContact CG2-SD 3.72Å; M709-N718 HydrophobicContact CB-CB 4.34Å; M709-N718 PolarHBondContact N-O 3.03Å; M709-N718 PolarHBondContact O-N 3.42Å; M709-Y720 HydrophobicContact CB-CE2 4.14Å; M709-Y720 HydrophobicContact CG-CD2 4.21Å; M709-Y720 HydrophobicContact CG-CE2 3.76Å; M709-I860 HydrophobicContact CG-CG2 3.86Å; M709-I860 HydrophobicContact SD-CG2 4.45Å; M709-T864 HydrophobicContact CB-CG2 4.36Å; M709-T864 HydrophobicContact CE-CG2 3.93Å; M709-I880 HydrophobicContact CE-CG2 3.81Å; M709-T883 HydrophobicContact CE-CG2 4.02Å; M709-T883 HydrophobicContact SD-CG2 4.03Å; M709-M884 HydrophobicContact CE-CG 4.27Å; M709-M884 HydrophobicContact SD-CG 3.79Å
710	E	91.4	Very high	91.4	Very high	146 Å²	146	43.8 Å²	43.8	68%	0.682	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.7	174.5	-60.3	175.6	-170.7	0	0	110.1	I717	E710-I717 HydrophobicContact CG-CD1 4.2Å; E710-I717 HydrophobicContact CG-CG1 4.09Å; E710-I717 HydrophobicContact CG-CG2 4.07Å
711	I	87.6	Confident	91.6	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.015	23%	0.233	C	C	.	.			trans	-107.3	106.7	178.7	-55.2	-59.3	0	0	0	108.8	S714 I716 T864 C867 L868 C871	I711-S714 WeakPolarHBondContact CB-OG 3.45Å; I711-S714 PolarHBondContact O-N 2.83Å; I711-S714 PolarHBondContact O-OG 3.29Å; I711-I716 HydrophobicContact CB-CB 4.4Å; I711-I716 HydrophobicContact CG1-CB 4.4Å; I711-I716 HydrophobicContact CG1-CG2 4.35Å; I711-I716 PolarHBondContact N-O 2.97Å; I711-T864 HydrophobicContact CD1-CG2 3.8Å; I711-C867 HydrophobicContact CB-CB 4.49Å; I711-C867 HydrophobicContact CD1-CB 3.61Å; I711-C867 HydrophobicContact CG1-CB 3.72Å; I711-C867 HydrophobicContact CG2-CB 3.97Å; I711-L868 HydrophobicContact CG2-CD2 4.37Å; I711-C871 HydrophobicContact CG2-CB 4.43Å
712	P	76.3	Confident	91.6	Very high	72 Å²	72	41.3 Å²	41.3	47%	0.468	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	151.5	-179.8	-27.7	36	0	0	0	113.5	S714 Q873	P712-S714 PolarHBondContact O-N 2.76Å; P712-S714 VanDerWaalsContact O-N 3.12Å; P712-Q873 HydrophobicContact CB-CG 4.49Å
713	S	72.4	Confident	91.6	Very high	102 Å²	102	40.9 Å²	40.9	71%	0.713	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	9.7	-176	-51.8	0	0	0	0	115	Q873	S713-Q873 PolarHBondContact OG-NE2 2.94Å; S713-Q873 PolarHBondContact OG-OE1 3.16Å
714	S	77.8	Confident	91.6	Very high	42 Å²	42	41.2 Å²	41.2	29%	0.294	23%	0.232	S	C	.	.	S	Bend	trans	-131	168.6	172	84.5	0	0	0	0	111	I711 P712 I716	I711-S714 WeakPolarHBondContact CB-OG 3.45Å; I711-S714 PolarHBondContact O-N 2.83Å; I711-S714 PolarHBondContact O-OG 3.29Å; P712-S714 PolarHBondContact O-N 2.76Å; P712-S714 VanDerWaalsContact O-N 3.12Å; S714-I716 VanDerWaalsContact C-N 3.3Å; S714-I716 WeakPolarHBondContact OG-CB 3.42Å; S714-I716 PolarHBondContact OG-N 3.36Å
715	S	76.6	Confident	91.6	Very high	125 Å²	125	41.2 Å²	41.2	87%	0.874	23%	0.232	S	C	*	.	S	Bend	trans	-90.5	12.7	167.8	63.1	0	0	0	0	113.1
716	I	82.3	Confident	91.5	Very high	75 Å²	75	41.3 Å²	41.3	39%	0.385	23%	0.233	S	C	.	.			trans	-88	120.4	-172.9	-56.4	174.7	0	0	0	109.8	I711 S714	I711-I716 HydrophobicContact CB-CB 4.4Å; I711-I716 HydrophobicContact CG1-CB 4.4Å; I711-I716 HydrophobicContact CG1-CG2 4.35Å; I711-I716 PolarHBondContact N-O 2.97Å; S714-I716 VanDerWaalsContact C-N 3.3Å; S714-I716 WeakPolarHBondContact OG-CB 3.42Å; S714-I716 PolarHBondContact OG-N 3.36Å
717	I	90.6	Very high	91.5	Very high	82 Å²	82	39.2 Å²	39.2	42%	0.421	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	103.3	168	-51.5	-175.8	0	0	0	107.3	N708 E710 Q719	N708-I717 HydrophobicContact CB-CG2 4.15Å; E710-I717 HydrophobicContact CG-CD1 4.2Å; E710-I717 HydrophobicContact CG-CG1 4.09Å; E710-I717 HydrophobicContact CG-CG2 4.07Å; I717-Q719 HydrophobicContact CG2-CG 4.27Å; I717-Q719 PolarHBondContact O-N 3.27Å; I717-Q719 VanDerWaalsContact O-N 3.08Å
718	N	93.1	Very high	91.4	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.053	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	104.2	175.7	-78	-43.5	0	0	0	108.9	M709 Y720 R838	M709-N718 HydrophobicContact CB-CB 4.34Å; M709-N718 PolarHBondContact N-O 3.03Å; M709-N718 PolarHBondContact O-N 3.42Å; N718-Y720 HydrophobicContact CB-CE2 3.61Å; N718-Y720 WeakPolarHBondContact O-CD2 3.39Å; N718-Y720 WeakPolarHBondContact O-CE2 3.36Å; N718-R838 WeakPolarHBondContact OD1-CD 3.36Å
719	Q	96.4	Very high	91.4	Very high	67 Å²	67	45.3 Å²	45.3	31%	0.313	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	140.2	177.4	-57.8	-171.7	20.7	0	0	111.3	I717 R838 P844 V845	I717-Q719 HydrophobicContact CG2-CG 4.27Å; I717-Q719 PolarHBondContact O-N 3.27Å; I717-Q719 VanDerWaalsContact O-N 3.08Å; Q719-R838 PolarHBondContact O-NH1 3.02Å; Q719-P844 HydrophobicContact CB-CB 3.97Å; Q719-V845 PolarHBondContact O-N 2.72Å
720	Y	98.5	Very high	91.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.9	179.7	-52.5	-101.3	0	0	0	111.3	Y706 I707 M709 N718 V845 V847 I860 E863	Y706-Y720 WeakPolarHBondContact CA-O 3.29Å; I707-Y720 PolarHBondContact N-O 2.69Å; I707-Y720 WeakPolarHBondContact O-CD2 3.33Å; I707-Y720 PolarHBondContact O-N 3.08Å; M709-Y720 HydrophobicContact CB-CE2 4.14Å; M709-Y720 HydrophobicContact CG-CD2 4.21Å; M709-Y720 HydrophobicContact CG-CE2 3.76Å; N718-Y720 HydrophobicContact CB-CE2 3.61Å; N718-Y720 WeakPolarHBondContact O-CD2 3.39Å; N718-Y720 WeakPolarHBondContact O-CE2 3.36Å; Y720-V845 CarbonylContact C-O 3.59Å; Y720-V845 VanDerWaalsContact CA-O 3.3Å; Y720-V845 WeakPolarHBondContact CA-O 3.37Å; Y720-V847 HydrophobicContact CD1-CG2 3.87Å; Y720-I860 HydrophobicContact CD1-CD1 3.97Å; Y720-I860 HydrophobicContact CD1-CG1 3.71Å; Y720-I860 HydrophobicContact CD2-CG2 4.15Å; Y720-I860 HydrophobicContact CE1-CB 4.3Å; Y720-I860 HydrophobicContact CE1-CD1 4.39Å; Y720-I860 HydrophobicContact CE1-CG1 3.64Å; Y720-I860 HydrophobicContact CE1-CG2 4.25Å; Y720-I860 HydrophobicContact CE2-CG2 3.76Å; Y720-I860 HydrophobicContact CG-CD1 4.01Å; Y720-I860 HydrophobicContact CG-CG1 4.15Å; Y720-E863 VanDerWaalsContact CE1-OE2 3.29Å; Y720-E863 WeakPolarHBondContact CE1-OE2 3.24Å; Y720-E863 WeakPolarHBondContact OH-CG 3.37Å; Y720-E863 PolarHBondContact OH-OE2 2.79Å
721	I	98.8	Very high	91.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	102.3	164.8	-68.7	156.5	0	0	0	108.1	V693 A704 N705 Y706 M737 Q741 P844 V845 V846 V847	V693-I721 HydrophobicContact CG2-CG1 4.24Å; V693-I721 HydrophobicContact CG2-CG2 3.76Å; A704-I721 HydrophobicContact CB-CG2 3.96Å; N705-I721 CarbonylContact O-C 3.55Å; N705-I721 WeakPolarHBondContact O-CA 3.27Å; Y706-I721 HydrophobicContact CD1-CG1 3.98Å; Y706-I721 HydrophobicContact CE1-CD1 4.38Å; Y706-I721 HydrophobicContact CE1-CG1 4.16Å; I721-M737 HydrophobicContact CG2-CE 3.78Å; I721-M737 HydrophobicContact CG2-SD 3.63Å; I721-Q741 HydrophobicContact CD1-CB 3.59Å; I721-Q741 HydrophobicContact CD1-CG 3.66Å; I721-P844 HydrophobicContact CD1-CB 3.85Å; I721-P844 HydrophobicContact CD1-CG 3.77Å; I721-P844 HydrophobicContact CG1-CB 4.02Å; I721-P844 HydrophobicContact CG1-CG 4.43Å; I721-V845 PolarHBondContact N-O 2.84Å; I721-V846 HydrophobicContact CB-CG2 4.3Å; I721-V846 HydrophobicContact CD1-CG2 4.31Å; I721-V847 PolarHBondContact O-N 2.95Å
722	A	98.8	Very high	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.8	-179.6	0	0	0	0	0	110.2	A704 N705 I707 V847 T856 R888	A704-A722 WeakPolarHBondContact CA-O 3.5Å; N705-A722 PolarHBondContact N-O 2.81Å; N705-A722 PolarHBondContact O-N 3.43Å; I707-A722 HydrophobicContact CD1-CB 3.56Å; I707-A722 HydrophobicContact CG1-CB 4.08Å; A722-V847 WeakPolarHBondContact CA-O 3.35Å; A722-T856 HydrophobicContact CB-CG2 3.98Å; A722-R888 WeakPolarHBondContact O-CD 3.2Å; A722-R888 PolarHBondContact O-NE 2.78Å
723	C	98.6	Very high	93.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.2	-169.8	60.9	0	0	0	0	113.7	N703 A704 M737 V847 H848 G852	N703-C723 VanDerWaalsContact O-CA 3.3Å; N703-C723 WeakPolarHBondContact O-CA 3.48Å; N703-C723 WeakPolarHBondContact O-CB 3.5Å; A704-C723 HydrophobicContact CB-CB 3.53Å; C723-M737 HydrophobicContact CB-CE 4.4Å; C723-V847 PolarHBondContact N-O 2.84Å; C723-V847 VanDerWaalsContact N-O 3.09Å; C723-H848 WeakPolarHBondContact O-CA 3.33Å; C723-H848 WeakPolarHBondContact O-CB 3.43Å; C723-G852 WeakPolarHBondContact O-CA 3.47Å
724	Q	97.9	Very high	94.5	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.037	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-69.8	156.8	174.3	78.2	-179.8	12.1	0	0	111.7	K679 N703 P726	K679-Q724 PolarHBondContact O-NE2 2.88Å; N703-Q724 HydrophobicContact CB-CB 4.39Å; N703-Q724 HydrophobicContact CB-CG 3.98Å; N703-Q724 PolarHBondContact O-N 3.43Å; Q724-P726 WeakPolarHBondContact O-CD 3.49Å
725	G	97.9	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-67.2	125.1	170.1	0	0	0	0	0	111	R681 H848 C849 S850	R681-G725 PolarHBondContact NE-O 3.45Å; R681-G725 PolarHBondContact NH2-O 3.26Å; G725-H848 WeakPolarHBondContact CA-ND1 3.17Å; G725-C849 VanDerWaalsContact CA-O 3.29Å; G725-C849 WeakPolarHBondContact CA-O 3.37Å; G725-C849 PolarHBondContact N-O 3.16Å; G725-C849 VanDerWaalsContact N-O 3.09Å; G725-S850 PolarHBondContact N-O 3.37Å
726	P	98.1	Very high	96.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.019	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-49.3	145.9	-172.8	-35	38.9	0	0	0	115.6	R681 Q724 F734 H761 Y763	R681-P726 PolarHBondContact NH2-O 3.49Å; Q724-P726 WeakPolarHBondContact O-CD 3.49Å; P726-F734 HydrophobicContact CG-CB 3.89Å; P726-F734 HydrophobicContact CG-CD1 4.2Å; P726-F734 HydrophobicContact CG-CD2 3.49Å; P726-F734 VanDerWaalsContact CG-CD2 3.49Å; P726-F734 HydrophobicContact CG-CE2 4.03Å; P726-F734 HydrophobicContact CG-CG 3.58Å; P726-H761 WeakPolarHBondContact O-CB 3.38Å; P726-H761 PolarHBondContact O-N 2.87Å; P726-Y763 HydrophobicContact CB-CD1 4.06Å; P726-Y763 HydrophobicContact CB-CG 4.41Å; P726-Y763 HydrophobicContact CG-CD1 3.6Å; P726-Y763 HydrophobicContact CG-CE1 4.04Å; P726-Y763 HydrophobicContact CG-CG 4.02Å
727	L	97.8	Very high	97.2	Very high	23 Å²	23	23.5 Å²	23.5	12%	0.12	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-94.2	159.2	167.5	-63.2	165.3	0	0	0	108.5	R681 H729 T730 C731	R681-L727 HydrophobicContact CB-CD1 4.38Å; R681-L727 HydrophobicContact CB-CD2 4.12Å; R681-L727 HydrophobicContact CB-CG 4.37Å; R681-L727 HydrophobicContact CG-CD2 4.22Å; L727-H729 PolarHBondContact O-N 3.34Å; L727-T730 HydrophobicContact CB-CG2 4.08Å; L727-T730 HydrophobicContact CD1-CG2 4.27Å; L727-T730 PolarHBondContact N-OG1 3.13Å; L727-T730 PolarHBondContact O-N 2.92Å; L727-T730 PolarHBondContact O-OG1 3.32Å; L727-C731 PolarHBondContact O-N 3.15Å; L727-C731 PolarHBondContact O-SG 2.91Å
728	P	97	Very high	97.6	Very high	83 Å²	83	19.7 Å²	19.7	54%	0.539	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-52.8	-41.2	-178.5	-25.6	33.9	0	0	0	113.5	H761	P728-H761 HydrophobicContact CG-CB 4.36Å
729	H	96.1	Very high	97.8	Very high	104 Å²	104	19.6 Å²	19.6	48%	0.481	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-85.2	0.5	178.9	60.6	-76.5	0	0	0	114.9	S678 L727	S678-H729 PolarHBondContact O-CE1 3.15Å; S678-H729 PolarHBondContact O-NE2 3.28Å; L727-H729 PolarHBondContact O-N 3.34Å
730	T	97.5	Very high	97.9	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.025	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-117.8	16	177.4	77.8	0	0	0	0	112.8	K679 L727 D733 F734	K679-T730 HydrophobicContact CB-CG2 4.03Å; K679-T730 HydrophobicContact CG-CG2 4.06Å; L727-T730 HydrophobicContact CB-CG2 4.08Å; L727-T730 HydrophobicContact CD1-CG2 4.27Å; L727-T730 PolarHBondContact N-OG1 3.13Å; L727-T730 PolarHBondContact O-N 2.92Å; L727-T730 PolarHBondContact O-OG1 3.32Å; T730-D733 WeakPolarHBondContact CA-OD2 3.43Å; T730-D733 WeakPolarHBondContact CB-OD2 3.42Å; T730-F734 WeakPolarHBondContact O-CB 3.41Å; T730-F734 PolarHBondContact O-N 3.16Å; T730-F734 VanDerWaalsContact O-N 3.15Å
731	C	98.1	Very high	97.8	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.027	11%	0.107	C	C	.	.	H	α-helix	trans	-71.4	-36.5	176.6	-69	0	0	0	0	112.1	L727 F734 W735 Y773	L727-C731 PolarHBondContact O-N 3.15Å; L727-C731 PolarHBondContact O-SG 2.91Å; C731-F734 PolarHBondContact O-N 3.31Å; C731-W735 VanDerWaalsContact O-CD1 3.24Å; C731-W735 PolarHBondContact O-N 3.02Å; C731-Y773 HydrophobicContact CB-CD1 3.62Å; C731-Y773 HydrophobicContact CB-CE1 3.9Å
732	T	97.1	Very high	97.7	Very high	53 Å²	53	21.8 Å²	21.8	33%	0.325	12%	0.124	S	C	.	.	H	α-helix	trans	-60.7	-50.5	170.8	-53.7	0	0	0	0	111	F734 W735 Q736	T732-F734 PolarHBondContact O-N 3.03Å; T732-W735 PolarHBondContact O-N 3.37Å; T732-Q736 VanDerWaalsContact O-CB 3.32Å; T732-Q736 WeakPolarHBondContact O-CB 3.43Å; T732-Q736 PolarHBondContact O-N 2.95Å
733	D	97.9	Very high	97.6	Very high	14 Å²	14	22 Å²	22	8%	0.075	13%	0.125	C	C	.	.	H	α-helix	trans	-52.9	-41.7	176.1	-55.1	-27.6	0	0	0	111.9	K679 L695 I702 T730 M737	K679-D733 WeakPolarHBondContact CD-OD2 3.39Å; K679-D733 WeakPolarHBondContact CE-OD2 3.49Å; K679-D733 IonicContact NZ-OD1 3.54Å; K679-D733 PolarHBondContact NZ-OD1 2.92Å; K679-D733 IonicContact NZ-OD2 3.11Å; K679-D733 PolarHBondContact NZ-OD2 3.1Å; L695-D733 HydrophobicContact CD1-CB 3.95Å; I702-D733 HydrophobicContact CD1-CB 4.02Å; T730-D733 WeakPolarHBondContact CA-OD2 3.43Å; T730-D733 WeakPolarHBondContact CB-OD2 3.42Å; D733-M737 VanDerWaalsContact O-CB 3.31Å; D733-M737 WeakPolarHBondContact O-CB 3.48Å; D733-M737 PolarHBondContact O-N 2.84Å
734	F	98.5	Very high	97.5	Very high	3 Å²	3	23 Å²	23	1%	0.013	13%	0.132	C	C	.	.	H	α-helix	trans	-69.4	-42.4	-179.1	-179.8	-88.7	0	0	0	113	I702 P726 T730 C731 T732 M737 T738 V746 Y763 V846	I702-F734 HydrophobicContact CD1-CB 4.35Å; P726-F734 HydrophobicContact CG-CB 3.89Å; P726-F734 HydrophobicContact CG-CD1 4.2Å; P726-F734 HydrophobicContact CG-CD2 3.49Å; P726-F734 VanDerWaalsContact CG-CD2 3.49Å; P726-F734 HydrophobicContact CG-CE2 4.03Å; P726-F734 HydrophobicContact CG-CG 3.58Å; T730-F734 WeakPolarHBondContact O-CB 3.41Å; T730-F734 PolarHBondContact O-N 3.16Å; T730-F734 VanDerWaalsContact O-N 3.15Å; C731-F734 PolarHBondContact O-N 3.31Å; T732-F734 PolarHBondContact O-N 3.03Å; F734-M737 HydrophobicContact CD2-CE 4.05Å; F734-M737 HydrophobicContact CE2-CE 4.12Å; F734-M737 WeakPolarHBondContact O-CB 3.38Å; F734-M737 PolarHBondContact O-N 3.26Å; F734-T738 WeakPolarHBondContact O-CB 3.4Å; F734-T738 PolarHBondContact O-N 3.47Å; F734-T738 PolarHBondContact O-OG1 3.3Å; F734-V746 HydrophobicContact CE1-CG1 4.41Å; F734-V746 HydrophobicContact CZ-CG1 3.82Å; F734-V746 HydrophobicContact CZ-CG2 4.44Å; F734-Y763 AromaticContact CD1-CD2 3.86Å; F734-Y763 HydrophobicContact CD1-CD2 3.86Å; F734-Y763 HydrophobicContact CD1-CE2 4.02Å; F734-Y763 HydrophobicContact CD1-CG 4.41Å; F734-Y763 AromaticContact CE1-CD2 3.66Å; F734-Y763 HydrophobicContact CE1-CD2 3.66Å; F734-Y763 AromaticContact CE1-CE2 3.32Å; F734-Y763 HydrophobicContact CE1-CE2 3.32Å; F734-Y763 HydrophobicContact CE1-CG 4.46Å; F734-Y763 AromaticContact CE1-CZ 3.85Å; F734-Y763 HydrophobicContact CZ-CD2 4.49Å; F734-Y763 AromaticContact CZ-CE2 3.86Å; F734-Y763 HydrophobicContact CZ-CE2 3.86Å; F734-Y763 AromaticContact CZ-CZ 3.9Å; F734-V846 HydrophobicContact CE2-CG1 3.8Å; F734-V846 HydrophobicContact CZ-CG1 3.84Å
735	W	97.9	Very high	97.5	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-73.6	-34.5	176.7	-72.3	121.8	0	0	0	112.6	C731 T732 T738 W739 Y763 Y773 Y776 V778 M794 L796 L807	C731-W735 VanDerWaalsContact O-CD1 3.24Å; C731-W735 PolarHBondContact O-N 3.02Å; T732-W735 PolarHBondContact O-N 3.37Å; W735-T738 HydrophobicContact CE3-CG2 4.19Å; W735-T738 HydrophobicContact CZ3-CG2 4.19Å; W735-T738 PolarHBondContact O-N 3.27Å; W735-W739 WeakPolarHBondContact O-CB 3.48Å; W735-W739 PolarHBondContact O-N 2.94Å; W735-Y763 AromaticContact CE2-CD2 3.8Å; W735-Y763 VanDerWaalsContact CE2-O 3.31Å; W735-Y763 HydrophobicContact CH2-CD2 4.2Å; W735-Y763 HydrophobicContact CH2-CE2 4.14Å; W735-Y763 AromaticContact CZ2-CD2 3.47Å; W735-Y763 HydrophobicContact CZ2-CD2 3.47Å; W735-Y763 VanDerWaalsContact CZ2-CD2 3.47Å; W735-Y763 AromaticContact CZ2-CE2 3.87Å; W735-Y763 HydrophobicContact CZ2-CE2 3.87Å; W735-Y763 VanDerWaalsContact CZ2-O 3.31Å; W735-Y763 WeakPolarHBondContact CZ2-O 3.46Å; W735-Y763 AromaticContact NE1-CD2 3.99Å; W735-Y763 PolarHBondContact NE1-O 3.23Å; W735-Y773 AromaticContact CD1-CD2 3.41Å; W735-Y773 VanDerWaalsContact CD1-CD2 3.41Å; W735-Y773 AromaticContact CD1-CE2 3.95Å; W735-Y773 AromaticContact CD1-CG 3.61Å; W735-Y773 HydrophobicContact CG-CD2 4.41Å; W735-Y773 AromaticContact NE1-CD2 3.58Å; W735-Y773 AromaticContact NE1-CE2 3.6Å; W735-Y776 HydrophobicContact CB-CG 4.28Å; W735-V778 HydrophobicContact CD2-CG2 3.74Å; W735-V778 VanDerWaalsContact CE2-CG2 3.4Å; W735-V778 HydrophobicContact CE3-CG2 4.32Å; W735-V778 HydrophobicContact CG-CG2 4.09Å; W735-V778 HydrophobicContact CH2-CG1 4.24Å; W735-V778 HydrophobicContact CH2-CG2 4.27Å; W735-V778 HydrophobicContact CZ2-CB 4.44Å; W735-V778 HydrophobicContact CZ2-CG1 3.95Å; W735-V778 HydrophobicContact CZ2-CG2 3.67Å; W735-M794 HydrophobicContact CH2-SD 4.12Å; W735-L796 HydrophobicContact CB-CD1 4.31Å; W735-L796 HydrophobicContact CD2-CD1 4.22Å; W735-L796 HydrophobicContact CE3-CD1 3.92Å; W735-L796 HydrophobicContact CE3-CD2 3.95Å; W735-L796 HydrophobicContact CG-CD1 4.42Å; W735-L796 HydrophobicContact CZ3-CD2 4.45Å; W735-L807 HydrophobicContact CH2-CD2 4.27Å; W735-L807 HydrophobicContact CZ3-CD1 3.84Å; W735-L807 HydrophobicContact CZ3-CD2 4.23Å
736	Q	97.6	Very high	97.5	Very high	34 Å²	34	22.7 Å²	22.7	16%	0.159	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-49.1	168.6	-179.1	173.4	-5.1	0	0	111.3	L695 K696 T732 T738 W739 E740 Y776	L695-Q736 HydrophobicContact CD2-CG 4.41Å; K696-Q736 PolarHBondContact O-NE2 3.06Å; T732-Q736 VanDerWaalsContact O-CB 3.32Å; T732-Q736 WeakPolarHBondContact O-CB 3.43Å; T732-Q736 PolarHBondContact O-N 2.95Å; Q736-T738 PolarHBondContact O-N 2.84Å; Q736-W739 PolarHBondContact O-N 2.99Å; Q736-E740 HydrophobicContact CG-CG 4.27Å; Q736-E740 VanDerWaalsContact CG-OE1 3.24Å; Q736-E740 WeakPolarHBondContact CG-OE1 3.27Å; Q736-E740 PolarHBondContact NE2-OE1 2.9Å; Q736-E740 WeakPolarHBondContact O-CB 3.35Å; Q736-E740 WeakPolarHBondContact O-CG 3.21Å; Q736-E740 PolarHBondContact O-N 2.97Å; Q736-Y776 HydrophobicContact CB-CD2 4.35Å; Q736-Y776 HydrophobicContact CB-CE2 3.63Å; Q736-Y776 HydrophobicContact CG-CE2 4.08Å
737	M	98.1	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-54.5	-51.8	174.2	-172.2	-170.7	69	0	0	111.1	V693 L695 I702 A704 I721 C723 D733 F734 W739 E740 Q741 V846	V693-M737 HydrophobicContact CB-CG 4.39Å; V693-M737 HydrophobicContact CB-SD 4.42Å; V693-M737 HydrophobicContact CG1-CG 3.86Å; V693-M737 HydrophobicContact CG2-SD 4.29Å; L695-M737 HydrophobicContact CD2-CB 3.82Å; L695-M737 HydrophobicContact CD2-CG 4.34Å; I702-M737 HydrophobicContact CD1-CB 4.19Å; I702-M737 HydrophobicContact CD1-CE 4.48Å; I702-M737 HydrophobicContact CD1-SD 3.85Å; I702-M737 HydrophobicContact CG1-SD 4.45Å; I702-M737 HydrophobicContact CG2-CG 4.42Å; I702-M737 HydrophobicContact CG2-SD 4.01Å; A704-M737 HydrophobicContact CB-SD 3.54Å; A704-M737 VanDerWaalsContact CB-SD 3.54Å; I721-M737 HydrophobicContact CG2-CE 3.78Å; I721-M737 HydrophobicContact CG2-SD 3.63Å; C723-M737 HydrophobicContact CB-CE 4.4Å; D733-M737 VanDerWaalsContact O-CB 3.31Å; D733-M737 WeakPolarHBondContact O-CB 3.48Å; D733-M737 PolarHBondContact O-N 2.84Å; F734-M737 HydrophobicContact CD2-CE 4.05Å; F734-M737 HydrophobicContact CE2-CE 4.12Å; F734-M737 WeakPolarHBondContact O-CB 3.38Å; F734-M737 PolarHBondContact O-N 3.26Å; M737-W739 VanDerWaalsContact C-N 3.28Å; M737-W739 PolarHBondContact O-N 2.88Å; M737-E740 PolarHBondContact O-N 3.26Å; M737-Q741 HydrophobicContact CG-CG 4.5Å; M737-Q741 WeakPolarHBondContact O-CB 3.47Å; M737-Q741 WeakPolarHBondContact O-CG 3.34Å; M737-Q741 PolarHBondContact O-N 3.28Å; M737-Q741 VanDerWaalsContact O-N 3.1Å; M737-V846 HydrophobicContact CE-CG1 3.76Å; M737-V846 HydrophobicContact CE-CG2 4.08Å
738	T	98.2	Very high	97.5	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-38.1	-178.3	-55.5	0	0	0	0	111.7	F734 W735 Q736 G742 S743 V746 L796 L807	F734-T738 WeakPolarHBondContact O-CB 3.4Å; F734-T738 PolarHBondContact O-N 3.47Å; F734-T738 PolarHBondContact O-OG1 3.3Å; W735-T738 HydrophobicContact CE3-CG2 4.19Å; W735-T738 HydrophobicContact CZ3-CG2 4.19Å; W735-T738 PolarHBondContact O-N 3.27Å; Q736-T738 PolarHBondContact O-N 2.84Å; T738-G742 PolarHBondContact O-N 3.42Å; T738-S743 PolarHBondContact O-N 3.26Å; T738-V746 HydrophobicContact CG2-CG2 4.15Å; T738-L796 HydrophobicContact CG2-CD2 4.24Å; T738-L807 HydrophobicContact CG2-CD1 3.5Å; T738-L807 VanDerWaalsContact CG2-CD1 3.5Å
739	W	97.6	Very high	97.6	Very high	8 Å²	8	17.5 Å²	17.5	3%	0.03	10%	0.098	C	C	.	.	H	α-helix	trans	-72.6	-46.6	177	-177.8	-101.8	0	0	0	114	W735 Q736 M737 Q741 G742 Y776 L796 N798 K801 E803 R805	W735-W739 WeakPolarHBondContact O-CB 3.48Å; W735-W739 PolarHBondContact O-N 2.94Å; Q736-W739 PolarHBondContact O-N 2.99Å; M737-W739 VanDerWaalsContact C-N 3.28Å; M737-W739 PolarHBondContact O-N 2.88Å; W739-Q741 VanDerWaalsContact C-N 3.28Å; W739-Q741 PolarHBondContact O-N 2.85Å; W739-G742 PolarHBondContact O-N 3.27Å; W739-Y776 HydrophobicContact CB-CD1 4.13Å; W739-Y776 HydrophobicContact CB-CE1 3.47Å; W739-Y776 VanDerWaalsContact CB-CE1 3.47Å; W739-Y776 AromaticContact CD1-CE1 3.57Å; W739-Y776 AromaticContact CD2-CE1 3.95Å; W739-Y776 HydrophobicContact CD2-CE1 3.95Å; W739-Y776 HydrophobicContact CG-CD1 4.23Å; W739-Y776 AromaticContact CG-CE1 3.38Å; W739-Y776 HydrophobicContact CG-CE1 3.38Å; W739-L796 HydrophobicContact CB-CD2 4.12Å; W739-L796 HydrophobicContact CE3-CD2 3.87Å; W739-L796 HydrophobicContact CE3-CG 3.84Å; W739-L796 HydrophobicContact CZ3-CG 4.35Å; W739-L796 WeakPolarHBondContact CZ3-O 3.42Å; W739-N798 HydrophobicContact CD2-CB 4.08Å; W739-N798 HydrophobicContact CE3-CB 4.43Å; W739-N798 HydrophobicContact CH2-CB 3.77Å; W739-N798 HydrophobicContact CZ2-CB 3.36Å; W739-N798 HydrophobicContact CZ3-CB 4.27Å; W739-N798 PolarHBondContact NE1-ND2 2.85Å; W739-K801 HydrophobicContact CZ2-CD 4.47Å; W739-E803 HydrophobicContact CH2-CB 3.52Å; W739-E803 WeakPolarHBondContact CH2-O 3.35Å; W739-E803 HydrophobicContact CZ2-CB 3.63Å; W739-E803 HydrophobicContact CZ2-CG 4.45Å; W739-E803 VanDerWaalsContact CZ2-OE2 3.25Å; W739-E803 WeakPolarHBondContact CZ2-OE2 3.4Å; W739-R805 HydrophobicContact CE3-CG 4.32Å; W739-R805 HydrophobicContact CH2-CG 3.78Å; W739-R805 VanDerWaalsContact CH2-NE 3.34Å; W739-R805 HydrophobicContact CZ3-CB 3.92Å; W739-R805 VanDerWaalsContact CZ3-CD 3.43Å; W739-R805 HydrophobicContact CZ3-CG 3.5Å; W739-R805 VanDerWaalsContact CZ3-CG 3.5Å; W739-R805 PolarHBondContact O-NH1 3.37Å
740	E	96.9	Very high	97.4	Very high	38 Å²	38	12.6 Å²	12.6	18%	0.178	8%	0.075	C	C	.	.	H	α-helix	trans	-66.1	-31.7	-177.1	-77.2	-174.8	-161.1	0	0	112.7	K696 Q736 M737	K696-E740 WeakPolarHBondContact CB-OE1 3.37Å; K696-E740 HydrophobicContact CD-CG 4.4Å; K696-E740 WeakPolarHBondContact CG-OE2 3.5Å; K696-E740 PolarHBondContact N-OE1 3.4Å; K696-E740 VanDerWaalsContact N-OE1 3.16Å; K696-E740 PolarHBondContact N-OE2 3.36Å; Q736-E740 HydrophobicContact CG-CG 4.27Å; Q736-E740 VanDerWaalsContact CG-OE1 3.24Å; Q736-E740 WeakPolarHBondContact CG-OE1 3.27Å; Q736-E740 PolarHBondContact NE2-OE1 2.9Å; Q736-E740 WeakPolarHBondContact O-CB 3.35Å; Q736-E740 WeakPolarHBondContact O-CG 3.21Å; Q736-E740 PolarHBondContact O-N 2.97Å; M737-E740 PolarHBondContact O-N 3.26Å
741	Q	97.1	Very high	97.2	Very high	41 Å²	41	14.3 Å²	14.3	19%	0.192	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.3	179.9	-53.7	-55.9	-48.5	0	0	113.3	V693 Y706 I721 M737 W739 S743 P844	V693-Q741 HydrophobicContact CG1-CG 4.14Å; Y706-Q741 PolarHBondContact OH-NE2 3.14Å; Y706-Q741 PolarHBondContact OH-OE1 3.13Å; I721-Q741 HydrophobicContact CD1-CB 3.59Å; I721-Q741 HydrophobicContact CD1-CG 3.66Å; M737-Q741 HydrophobicContact CG-CG 4.5Å; M737-Q741 WeakPolarHBondContact O-CB 3.47Å; M737-Q741 WeakPolarHBondContact O-CG 3.34Å; M737-Q741 PolarHBondContact O-N 3.28Å; M737-Q741 VanDerWaalsContact O-N 3.1Å; W739-Q741 VanDerWaalsContact C-N 3.28Å; W739-Q741 PolarHBondContact O-N 2.85Å; Q741-S743 PolarHBondContact O-N 3.07Å; Q741-P844 HydrophobicContact CB-CG 4.19Å
742	G	96.2	Very high	97	Very high	34 Å²	34	17.4 Å²	17.4	35%	0.351	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	5	176.2	0	0	0	0	0	115.7	T738 W739 S744	T738-G742 PolarHBondContact O-N 3.42Å; W739-G742 PolarHBondContact O-N 3.27Å; G742-S744 PolarHBondContact O-N 3.09Å; G742-S744 VanDerWaalsContact O-N 3.15Å
743	S	97.3	Very high	96.7	Very high	5 Å²	5	18.5 Å²	18.5	4%	0.035	11%	0.106	C	C	.	.			trans	-59.8	109.6	-170.7	-59	0	0	0	0	113.7	T738 Q741 M745 P844	T738-S743 PolarHBondContact O-N 3.26Å; Q741-S743 PolarHBondContact O-N 3.07Å; S743-M745 VanDerWaalsContact C-N 3.27Å; S743-M745 PolarHBondContact O-N 3.05Å; S743-P844 WeakPolarHBondContact CB-O 3.41Å; S743-P844 PolarHBondContact OG-O 2.93Å
744	S	96.4	Very high	96.2	Very high	20 Å²	20	18 Å²	18	14%	0.14	10%	0.103	C	C	.	.			trans	-80.6	-1.9	175.1	75	0	0	0	0	114.4	G742 L807 T808 K841 E843	G742-S744 PolarHBondContact O-N 3.09Å; G742-S744 VanDerWaalsContact O-N 3.15Å; S744-L807 WeakPolarHBondContact O-CA 3.13Å; S744-T808 PolarHBondContact O-N 2.85Å; S744-K841 WeakPolarHBondContact OG-CE 3.22Å; S744-K841 PolarHBondContact OG-NZ 3.3Å; S744-E843 VanDerWaalsContact CB-OE1 3.24Å; S744-E843 WeakPolarHBondContact CB-OE1 2.97Å; S744-E843 PolarHBondContact OG-OE1 3.45Å
745	M	97.8	Very high	95.3	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.7	-178	-162.7	-163.2	-45.8	0	0	112.6	S743 V747 T808 I810 V834 K837 R838 V845 V846	S743-M745 VanDerWaalsContact C-N 3.27Å; S743-M745 PolarHBondContact O-N 3.05Å; M745-V747 HydrophobicContact CG-CG2 4.22Å; M745-V747 HydrophobicContact SD-CG2 3.69Å; M745-T808 WeakPolarHBondContact CA-O 3.41Å; M745-I810 HydrophobicContact CG-CD1 4.29Å; M745-I810 HydrophobicContact CG-CG1 4.48Å; M745-I810 HydrophobicContact SD-CD1 3.83Å; M745-V834 HydrophobicContact SD-CG1 4.16Å; M745-K837 HydrophobicContact CE-CB 3.61Å; M745-K837 WeakPolarHBondContact CE-O 3.23Å; M745-K837 HydrophobicContact SD-CB 4.4Å; M745-R838 HydrophobicContact CE-CB 4.14Å; M745-V845 HydrophobicContact CB-CG1 4.18Å; M745-V845 HydrophobicContact CB-CG2 4.32Å; M745-V845 HydrophobicContact CE-CG2 4.09Å; M745-V845 HydrophobicContact CG-CG1 4.3Å; M745-V845 HydrophobicContact SD-CG1 3.9Å; M745-V845 HydrophobicContact SD-CG2 4.37Å; M745-V846 PolarHBondContact O-N 3.41Å; M745-V846 VanDerWaalsContact O-N 3.15Å
746	V	98.6	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.1	171.9	179.7	0	0	0	0	109.3	F734 T738 Y763 L807 T808 Q809 I810 V846	F734-V746 HydrophobicContact CE1-CG1 4.41Å; F734-V746 HydrophobicContact CZ-CG1 3.82Å; F734-V746 HydrophobicContact CZ-CG2 4.44Å; T738-V746 HydrophobicContact CG2-CG2 4.15Å; V746-Y763 VanDerWaalsContact CG1-OH 3.25Å; V746-Y763 WeakPolarHBondContact CG1-OH 3.44Å; V746-L807 HydrophobicContact CG2-CD1 4.09Å; V746-L807 HydrophobicContact CG2-CD2 4.15Å; V746-L807 HydrophobicContact CG2-CG 4.48Å; V746-T808 PolarHBondContact N-O 3.05Å; V746-Q809 HydrophobicContact CB-CG 4.25Å; V746-Q809 HydrophobicContact CG1-CG 4.28Å; V746-Q809 CarbonylContact O-C 3.57Å; V746-Q809 VanDerWaalsContact O-CA 3.27Å; V746-Q809 WeakPolarHBondContact O-CA 3.13Å; V746-I810 PolarHBondContact O-N 3.02Å; V746-V846 CarbonylContact C-O 3.55Å; V746-V846 WeakPolarHBondContact CA-O 3.33Å; V746-V846 HydrophobicContact CG1-CG1 4.39Å; V746-V846 HydrophobicContact CG2-CB 4.21Å
747	V	98.6	Very high	94	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122	-179.3	-169.5	0	0	0	0	110.7	M745 I810 F830 V834 V845 V846 V847 H848 L859	M745-V747 HydrophobicContact CG-CG2 4.22Å; M745-V747 HydrophobicContact SD-CG2 3.69Å; V747-I810 CarbonylContact C-O 3.59Å; V747-I810 WeakPolarHBondContact CA-O 3.36Å; V747-F830 HydrophobicContact CG1-CE1 3.77Å; V747-F830 HydrophobicContact CG1-CZ 3.52Å; V747-V834 HydrophobicContact CG1-CG2 4.02Å; V747-V834 HydrophobicContact CG2-CG1 4.22Å; V747-V834 HydrophobicContact CG2-CG2 4.11Å; V747-V845 HydrophobicContact CG2-CG1 3.68Å; V747-V846 PolarHBondContact N-O 3.23Å; V747-V847 HydrophobicContact CB-CG1 4.32Å; V747-V847 HydrophobicContact CB-CG2 4.28Å; V747-V847 WeakPolarHBondContact O-CA 3.46Å; V747-H848 PolarHBondContact O-N 2.87Å; V747-L859 HydrophobicContact CB-CD2 4.31Å; V747-L859 HydrophobicContact CG1-CD2 3.62Å
748	M	98	Very high	93.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.6	-172.5	178.3	165.4	-178.9	0	0	111.2	T750 C760 Y763 W764 I810 Q811 Y812 H848	M748-T750 HydrophobicContact CE-CG2 3.87Å; M748-T750 WeakPolarHBondContact CE-O 3.28Å; M748-T750 HydrophobicContact CG-CG2 4.28Å; M748-C760 HydrophobicContact CE-CB 3.6Å; M748-Y763 HydrophobicContact SD-CE1 4.23Å; M748-W764 HydrophobicContact CE-CH2 3.8Å; M748-W764 HydrophobicContact CE-CZ3 4.02Å; M748-W764 HydrophobicContact SD-CH2 3.65Å; M748-W764 HydrophobicContact SD-CZ3 3.61Å; M748-I810 PolarHBondContact N-O 2.77Å; M748-Q811 HydrophobicContact CB-CB 4.16Å; M748-Q811 HydrophobicContact CB-CG 4.04Å; M748-Q811 HydrophobicContact CG-CG 3.91Å; M748-Q811 CarbonylContact O-C 3.52Å; M748-Q811 VanDerWaalsContact O-CA 3.28Å; M748-Q811 WeakPolarHBondContact O-CA 3.1Å; M748-Q811 HydrophobicContact SD-CG 4.25Å; M748-Y812 PolarHBondContact O-N 2.66Å; M748-H848 WeakPolarHBondContact CB-NE2 3.31Å; M748-H848 WeakPolarHBondContact CG-CE1 3.48Å; M748-H848 WeakPolarHBondContact CG-NE2 3.48Å; M748-H848 VanDerWaalsContact SD-CE1 3.55Å
749	L	97.1	Very high	93.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.			trans	-112.6	43.3	-172.6	-61.1	165.4	0	0	0	111.9	F830 V847 H848 C849 R855 L859	L749-F830 HydrophobicContact CD2-CD1 4.48Å; L749-F830 HydrophobicContact CD2-CE1 3.61Å; L749-F830 HydrophobicContact CD2-CZ 3.96Å; L749-V847 HydrophobicContact CD1-CG1 3.98Å; L749-H848 PolarHBondContact N-O 3.32Å; L749-C849 HydrophobicContact CB-CB 4.05Å; L749-R855 HydrophobicContact CB-CB 3.94Å; L749-R855 HydrophobicContact CD1-CB 4.33Å; L749-R855 WeakPolarHBondContact CD1-O 3.16Å; L749-R855 WeakPolarHBondContact O-CD 3.48Å; L749-R855 PolarHBondContact O-NH1 2.84Å; L749-L859 HydrophobicContact CD1-CB 3.8Å; L749-L859 HydrophobicContact CD1-CD2 4Å; L749-L859 HydrophobicContact CD2-CD2 4.42Å
750	T	93.9	Very high	93.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.226	C	C	.	.	S	Bend	trans	-164.7	152.9	-177	-167.4	0	0	0	0	109.3	M748 E754 K759 C760 Q811 R855	M748-T750 HydrophobicContact CE-CG2 3.87Å; M748-T750 WeakPolarHBondContact CE-O 3.28Å; M748-T750 HydrophobicContact CG-CG2 4.28Å; T750-E754 PolarHBondContact OG1-OE1 3.25Å; T750-K759 WeakPolarHBondContact OG1-CB 3.19Å; T750-C760 HydrophobicContact CG2-CB 4.01Å; T750-Q811 PolarHBondContact O-NE2 3.23Å; T750-R855 PolarHBondContact OG1-NH1 2.91Å
751	T	93.1	Very high	93.5	Very high	39 Å²	39	44.2 Å²	44.2	24%	0.239	23%	0.234	C	C	.	.			trans	-78.6	174.6	163.9	61.5	0	0	0	0	109.6	V753 E754	T751-V753 VanDerWaalsContact C-N 3.35Å; T751-V753 PolarHBondContact OG1-O 3.36Å; T751-E754 WeakPolarHBondContact OG1-CG 3.06Å
752	Q	92.8	Very high	93.5	Very high	70 Å²	70	44.5 Å²	44.5	33%	0.327	24%	0.235	S	C	.	.	S	Bend	trans	-68.6	-37	174.5	-57.5	-174.1	27.1	0	0	111.9	V758 K759 C760 W764	Q752-V758 CarbonylContact O-C 3.58Å; Q752-V758 WeakPolarHBondContact O-CA 3.37Å; Q752-K759 PolarHBondContact O-N 2.81Å; Q752-C760 WeakPolarHBondContact CA-O 3.28Å; Q752-C760 PolarHBondContact O-N 3.03Å; Q752-W764 HydrophobicContact CG-CH2 4.34Å
753	V	90.6	Very high	93.5	Very high	75 Å²	75	42.9 Å²	42.9	46%	0.455	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.5	-174.6	-178.2	0	0	0	0	109.4	T751 R757 V758	T751-V753 VanDerWaalsContact C-N 3.35Å; T751-V753 PolarHBondContact OG1-O 3.36Å; V753-R757 WeakPolarHBondContact CA-O 3.44Å; V753-V758 HydrophobicContact CG2-CG2 4.31Å
754	E	86.9	Confident	93.5	Very high	4 Å²	4	43 Å²	43	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.2	177.4	-65	179.8	-167.3	0	0	107.4	T750 T751 G756 R757 K759 D817 R855	T750-E754 PolarHBondContact OG1-OE1 3.25Å; T751-E754 WeakPolarHBondContact OG1-CG 3.06Å; E754-G756 VanDerWaalsContact C-N 3.27Å; E754-G756 PolarHBondContact O-N 3.37Å; E754-R757 PolarHBondContact N-O 2.83Å; E754-R757 PolarHBondContact O-N 3.2Å; E754-K759 HydrophobicContact CB-CD 4.35Å; E754-K759 HydrophobicContact CB-CG 3.65Å; E754-K759 HydrophobicContact CG-CB 4.5Å; E754-K759 HydrophobicContact CG-CG 3.62Å; E754-K759 IonicContact OE2-NZ 3.61Å; E754-K759 PolarHBondContact OE2-NZ 2.85Å; E754-D817 HydrophobicContact CB-CB 4.39Å; E754-D817 WeakPolarHBondContact CB-OD1 3.49Å; E754-D817 VanDerWaalsContact CG-OD1 3.25Å; E754-D817 WeakPolarHBondContact CG-OD1 3.4Å; E754-R855 IonicContact OE1-CZ 3.61Å; E754-R855 IonicContact OE1-NH1 3.83Å; E754-R855 PolarHBondContact OE1-NH1 2.77Å; E754-R855 IonicContact OE1-NH2 4Å; E754-R855 PolarHBondContact OE1-NH2 2.88Å; E754-R855 IonicContact OE2-CZ 2.77Å; E754-R855 IonicContact OE2-NH1 2.65Å; E754-R855 IonicContact OE2-NH2 2.88Å; E754-R855 PolarHBondContact OE2-NH2 2.86Å; E754-R855 VanDerWaalsContact OE2-NH2 3.11Å
755	R	79.4	Confident	93.5	Very high	177 Å²	177	42.3 Å²	42.3	67%	0.668	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.5	46.2	-168.1	-53.4	-162.6	167.8	-177.2	-10	115.1	R757 D817 H818	R755-R757 PolarHBondContact O-N 3.49Å; R755-D817 HydrophobicContact CG-CB 3.96Å; R755-D817 WeakPolarHBondContact CG-OD2 3.32Å; R755-D817 PolarHBondContact N-OD2 3.23Å; R755-D817 IonicContact NE-OD2 3.82Å; R755-H818 PolarHBondContact NE-CD2 2.77Å; R755-H818 PolarHBondContact NH1-CD2 2.93Å; R755-H818 VanDerWaalsContact NH1-CD2 3.33Å; R755-H818 PolarHBondContact NH1-NE2 3.07Å
756	G	83.3	Confident	93.2	Very high	70 Å²	70	47.7 Å²	47.7	72%	0.722	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	4.7	-179.5	0	0	0	0	0	115.3	E754	E754-G756 VanDerWaalsContact C-N 3.27Å; E754-G756 PolarHBondContact O-N 3.37Å
757	R	86.3	Confident	92.8	Very high	192 Å²	192	50.1 Å²	50.1	73%	0.725	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.3	176.5	-62.1	-177.8	178.2	-175.3	-0.7	110.4	V753 E754 R755 K759	V753-R757 WeakPolarHBondContact CA-O 3.44Å; E754-R757 PolarHBondContact N-O 2.83Å; E754-R757 PolarHBondContact O-N 3.2Å; R755-R757 PolarHBondContact O-N 3.49Å; R757-K759 PolarHBondContact O-N 3.14Å; R757-K759 VanDerWaalsContact O-N 3.15Å
758	V	91.3	Very high	92.3	Very high	85 Å²	85	56.1 Å²	56.1	52%	0.515	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	112.6	177.8	-178	0	0	0	0	110.2	R681 Q752 V753	R681-V758 PolarHBondContact NH1-O 2.84Å; Q752-V758 CarbonylContact O-C 3.58Å; Q752-V758 WeakPolarHBondContact O-CA 3.37Å; V753-V758 HydrophobicContact CG2-CG2 4.31Å
759	K	94.6	Very high	92.1	Very high	39 Å²	39	57.2 Å²	57.2	17%	0.17	30%	0.303	C	S	.	.	S	Bend	trans	-92.6	-30.8	177.3	-64.7	-54.6	-177.7	73.2	0	112.8	R681 T750 Q752 E754 R757 S850	R681-K759 PolarHBondContact NE-O 2.75Å; R681-K759 PolarHBondContact NH1-O 3.03Å; T750-K759 WeakPolarHBondContact OG1-CB 3.19Å; Q752-K759 PolarHBondContact O-N 2.81Å; E754-K759 HydrophobicContact CB-CD 4.35Å; E754-K759 HydrophobicContact CB-CG 3.65Å; E754-K759 HydrophobicContact CG-CB 4.5Å; E754-K759 HydrophobicContact CG-CG 3.62Å; E754-K759 IonicContact OE2-NZ 3.61Å; E754-K759 PolarHBondContact OE2-NZ 2.85Å; R757-K759 PolarHBondContact O-N 3.14Å; R757-K759 VanDerWaalsContact O-N 3.15Å; K759-S850 WeakPolarHBondContact CA-OG 3.27Å; K759-S850 WeakPolarHBondContact O-CA 3.45Å; K759-S850 WeakPolarHBondContact O-CB 3.25Å; K759-S850 PolarHBondContact O-OG 2.57Å
760	C	96.8	Very high	92.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-148.9	140.6	175.8	-170.6	0	0	0	0	109	M748 T750 Q752 H848	M748-C760 HydrophobicContact CE-CB 3.6Å; T750-C760 HydrophobicContact CG2-CB 4.01Å; Q752-C760 WeakPolarHBondContact CA-O 3.28Å; Q752-C760 PolarHBondContact O-N 3.03Å; C760-H848 VanDerWaalsContact SG-CE1 3.57Å
761	H	97.3	Very high	92.2	Very high	74 Å²	74	62.1 Å²	62.1	34%	0.343	34%	0.337	S	S	.	.			trans	-78.5	149.6	166.7	-172	63.4	0	0	0	109.7	P726 P728 Y763	P726-H761 WeakPolarHBondContact O-CB 3.38Å; P726-H761 PolarHBondContact O-N 2.87Å; P728-H761 HydrophobicContact CG-CB 4.36Å; H761-Y763 WeakPolarHBondContact O-CD1 3.4Å; H761-Y763 PolarHBondContact O-N 3.5Å
762	Q	96.6	Very high	92.4	Very high	46 Å²	46	63.9 Å²	63.9	22%	0.215	35%	0.351	C	S	.	.			trans	-70.9	109.6	171.6	-177.6	165	-21.3	0	0	109.6	W764 E766	Q762-W764 HydrophobicContact CG-CD2 3.93Å; Q762-W764 HydrophobicContact CG-CE3 4.26Å; Q762-W764 HydrophobicContact CG-CG 4.34Å; Q762-W764 HydrophobicContact CG-CH2 4.45Å; Q762-W764 HydrophobicContact CG-CZ2 4.13Å; Q762-W764 VanDerWaalsContact CG-O 3.26Å; Q762-W764 WeakPolarHBondContact CG-O 3.38Å; Q762-W764 PolarHBondContact NE2-O 3.13Å; Q762-E766 PolarHBondContact NE2-OE1 2.94Å
763	Y	97	Very high	92.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.342	C	S	.	.			trans	-102.6	13.2	-179	61.2	-95.2	0	0	0	112.7	P726 F734 W735 V746 M748 H761 Y773 Q809 H848	P726-Y763 HydrophobicContact CB-CD1 4.06Å; P726-Y763 HydrophobicContact CB-CG 4.41Å; P726-Y763 HydrophobicContact CG-CD1 3.6Å; P726-Y763 HydrophobicContact CG-CE1 4.04Å; P726-Y763 HydrophobicContact CG-CG 4.02Å; F734-Y763 AromaticContact CD1-CD2 3.86Å; F734-Y763 HydrophobicContact CD1-CD2 3.86Å; F734-Y763 HydrophobicContact CD1-CE2 4.02Å; F734-Y763 HydrophobicContact CD1-CG 4.41Å; F734-Y763 AromaticContact CE1-CD2 3.66Å; F734-Y763 HydrophobicContact CE1-CD2 3.66Å; F734-Y763 AromaticContact CE1-CE2 3.32Å; F734-Y763 HydrophobicContact CE1-CE2 3.32Å; F734-Y763 HydrophobicContact CE1-CG 4.46Å; F734-Y763 AromaticContact CE1-CZ 3.85Å; F734-Y763 HydrophobicContact CZ-CD2 4.49Å; F734-Y763 AromaticContact CZ-CE2 3.86Å; F734-Y763 HydrophobicContact CZ-CE2 3.86Å; F734-Y763 AromaticContact CZ-CZ 3.9Å; W735-Y763 AromaticContact CE2-CD2 3.8Å; W735-Y763 VanDerWaalsContact CE2-O 3.31Å; W735-Y763 HydrophobicContact CH2-CD2 4.2Å; W735-Y763 HydrophobicContact CH2-CE2 4.14Å; W735-Y763 AromaticContact CZ2-CD2 3.47Å; W735-Y763 HydrophobicContact CZ2-CD2 3.47Å; W735-Y763 VanDerWaalsContact CZ2-CD2 3.47Å; W735-Y763 AromaticContact CZ2-CE2 3.87Å; W735-Y763 HydrophobicContact CZ2-CE2 3.87Å; W735-Y763 VanDerWaalsContact CZ2-O 3.31Å; W735-Y763 WeakPolarHBondContact CZ2-O 3.46Å; W735-Y763 AromaticContact NE1-CD2 3.99Å; W735-Y763 PolarHBondContact NE1-O 3.23Å; V746-Y763 VanDerWaalsContact CG1-OH 3.25Å; V746-Y763 WeakPolarHBondContact CG1-OH 3.44Å; M748-Y763 HydrophobicContact SD-CE1 4.23Å; H761-Y763 WeakPolarHBondContact O-CD1 3.4Å; H761-Y763 PolarHBondContact O-N 3.5Å; Y763-Y773 VanDerWaalsContact C-OH 3.26Å; Y763-Y773 PolarHBondContact O-OH 3.17Å; Y763-Q809 VanDerWaalsContact CZ-NE2 3.3Å; Y763-Q809 PolarHBondContact OH-NE2 2.98Å; Y763-H848 AromaticContact CE1-CE1 3.79Å; Y763-H848 AromaticContact CE1-NE2 3.46Å; Y763-H848 WeakPolarHBondContact CE1-NE2 3.43Å; Y763-H848 AromaticContact CZ-NE2 3.52Å; Y763-H848 PolarHBondContact OH-NE2 2.84Å
764	W	96.9	Very high	92.6	Very high	7 Å²	7	61.1 Å²	61.1	3%	0.027	35%	0.346	C	S	.	.	S	Bend	trans	-132.5	149.3	-179.1	64.7	90.9	0	0	0	111.2	M748 Q752 Q762 M794	M748-W764 HydrophobicContact CE-CH2 3.8Å; M748-W764 HydrophobicContact CE-CZ3 4.02Å; M748-W764 HydrophobicContact SD-CH2 3.65Å; M748-W764 HydrophobicContact SD-CZ3 3.61Å; Q752-W764 HydrophobicContact CG-CH2 4.34Å; Q762-W764 HydrophobicContact CG-CD2 3.93Å; Q762-W764 HydrophobicContact CG-CE3 4.26Å; Q762-W764 HydrophobicContact CG-CG 4.34Å; Q762-W764 HydrophobicContact CG-CH2 4.45Å; Q762-W764 HydrophobicContact CG-CZ2 4.13Å; Q762-W764 VanDerWaalsContact CG-O 3.26Å; Q762-W764 WeakPolarHBondContact CG-O 3.38Å; Q762-W764 PolarHBondContact NE2-O 3.13Å; W764-M794 HydrophobicContact CB-CE 3.5Å; W764-M794 VanDerWaalsContact CB-CE 3.5Å; W764-M794 HydrophobicContact CB-SD 4.26Å; W764-M794 HydrophobicContact CG-CE 3.82Å
765	P	96.1	Very high	93	Very high	6 Å²	6	62.1 Å²	62.1	4%	0.039	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-72	159.9	176	31.9	-36.8	0	0	0	112.1	G769 V778 C780	P765-G769 WeakPolarHBondContact CG-O 3.45Å; P765-V778 HydrophobicContact CG-CG1 4.25Å; P765-C780 HydrophobicContact CG-CB 3.93Å
766	E	92.2	Very high	93.8	Very high	116 Å²	116	54.2 Å²	54.2	54%	0.542	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-57	159.1	167.3	-64.6	-53.7	132.2	0	0	112.3	Q762 T768 G769	Q762-E766 PolarHBondContact NE2-OE1 2.94Å; E766-T768 PolarHBondContact O-N 3.22Å; E766-G769 WeakPolarHBondContact O-CA 3.23Å; E766-G769 PolarHBondContact O-N 3.31Å
767	P	90.6	Very high	94.5	Very high	51 Å²	51	53.5 Å²	53.5	33%	0.331	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	137	177.9	-25.5	35.5	0	0	0	112.7	G769 E783	P767-G769 PolarHBondContact O-N 3.07Å; P767-E783 HydrophobicContact CB-CB 4.36Å; P767-E783 HydrophobicContact CG-CB 3.68Å
768	T	88	Confident	95.1	Very high	126 Å²	126	44.3 Å²	44.3	77%	0.773	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-1.5	-168.8	71.5	0	0	0	0	116	E766 C780	E766-T768 PolarHBondContact O-N 3.22Å; T768-C780 WeakPolarHBondContact CA-O 3.14Å; T768-C780 PolarHBondContact N-O 2.87Å
769	G	94.1	Very high	95.4	Very high	24 Å²	24	41.8 Å²	41.8	25%	0.247	25%	0.251	C	S	.	.			trans	-89.4	165.9	177.8	0	0	0	0	0	114.6	P765 E766 P767 T779 C780	P765-G769 WeakPolarHBondContact CG-O 3.45Å; E766-G769 WeakPolarHBondContact O-CA 3.23Å; E766-G769 PolarHBondContact O-N 3.31Å; P767-G769 PolarHBondContact O-N 3.07Å; G769-T779 WeakPolarHBondContact O-CA 3.4Å; G769-C780 PolarHBondContact O-N 3.5Å
770	S	95.9	Very high	95.5	Very high	60 Å²	60	39.9 Å²	39.9	42%	0.42	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	154.6	168.9	-62.5	0	0	0	0	111.5	V778 T779	S770-V778 CarbonylContact C-O 3.59Å; S770-V778 WeakPolarHBondContact CA-O 3.38Å; S770-T779 PolarHBondContact OG-OG1 3.17Å
771	S	96.6	Very high	95.5	Very high	44 Å²	44	44.7 Å²	44.7	31%	0.308	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	146.9	172.3	-73.6	0	0	0	0	111.4	V778	S771-V778 PolarHBondContact N-O 3.05Å; S771-V778 PolarHBondContact O-N 2.98Å
772	S	96.4	Very high	95.5	Very high	76 Å²	76	42.6 Å²	42.6	53%	0.531	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.5	-175.5	-55.9	0	0	0	0	111.6	Y776	S772-Y776 CarbonylContact C-O 3.59Å; S772-Y776 WeakPolarHBondContact CA-O 3.18Å
773	Y	95.7	Very high	95.4	Very high	34 Å²	34	43.9 Å²	43.9	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	85.6	-176.2	-55	-81	0	0	0	107.9	C731 W735 Y763 Y776 V778	C731-Y773 HydrophobicContact CB-CD1 3.62Å; C731-Y773 HydrophobicContact CB-CE1 3.9Å; W735-Y773 AromaticContact CD1-CD2 3.41Å; W735-Y773 VanDerWaalsContact CD1-CD2 3.41Å; W735-Y773 AromaticContact CD1-CE2 3.95Å; W735-Y773 AromaticContact CD1-CG 3.61Å; W735-Y773 HydrophobicContact CG-CD2 4.41Å; W735-Y773 AromaticContact NE1-CD2 3.58Å; W735-Y773 AromaticContact NE1-CE2 3.6Å; Y763-Y773 VanDerWaalsContact C-OH 3.26Å; Y763-Y773 PolarHBondContact O-OH 3.17Å; Y773-Y776 PolarHBondContact N-O 3.41Å; Y773-Y776 WeakPolarHBondContact O-CB 3.35Å; Y773-Y776 PolarHBondContact O-N 2.71Å; Y773-V778 HydrophobicContact CD2-CG2 3.79Å; Y773-V778 HydrophobicContact CE2-CB 4.14Å; Y773-V778 HydrophobicContact CE2-CG2 3.79Å
774	G	93.1	Very high	95.3	Very high	52 Å²	52	48.2 Å²	48.2	54%	0.536	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	-134.1	-166.6	0	0	0	0	0	111.3	Y776	G774-Y776 PolarHBondContact O-N 2.84Å
775	C	94.4	Very high	95	Very high	25 Å²	25	50.7 Å²	50.7	17%	0.169	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	2.6	174.7	59.2	0	0	0	0	114.4	Q799 E800	C775-Q799 WeakPolarHBondContact O-CB 3.44Å; C775-Q799 WeakPolarHBondContact O-CG 3.47Å; C775-Q799 PolarHBondContact O-N 3.15Å; C775-E800 HydrophobicContact CB-CG 3.75Å; C775-E800 VanDerWaalsContact CB-OE1 3.22Å; C775-E800 WeakPolarHBondContact CB-OE1 3.42Å; C775-E800 PolarHBondContact SG-OE1 3.49Å
776	Y	96.9	Very high	94.8	Very high	11 Å²	11	53.6 Å²	53.6	4%	0.043	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.5	177	-61	-75.7	0	0	0	111.2	W735 Q736 W739 S772 Y773 G774 L796 F797 N798	W735-Y776 HydrophobicContact CB-CG 4.28Å; Q736-Y776 HydrophobicContact CB-CD2 4.35Å; Q736-Y776 HydrophobicContact CB-CE2 3.63Å; Q736-Y776 HydrophobicContact CG-CE2 4.08Å; W739-Y776 HydrophobicContact CB-CD1 4.13Å; W739-Y776 HydrophobicContact CB-CE1 3.47Å; W739-Y776 VanDerWaalsContact CB-CE1 3.47Å; W739-Y776 AromaticContact CD1-CE1 3.57Å; W739-Y776 AromaticContact CD2-CE1 3.95Å; W739-Y776 HydrophobicContact CD2-CE1 3.95Å; W739-Y776 HydrophobicContact CG-CD1 4.23Å; W739-Y776 AromaticContact CG-CE1 3.38Å; W739-Y776 HydrophobicContact CG-CE1 3.38Å; S772-Y776 CarbonylContact C-O 3.59Å; S772-Y776 WeakPolarHBondContact CA-O 3.18Å; Y773-Y776 PolarHBondContact N-O 3.41Å; Y773-Y776 WeakPolarHBondContact O-CB 3.35Å; Y773-Y776 PolarHBondContact O-N 2.71Å; G774-Y776 PolarHBondContact O-N 2.84Å; Y776-L796 HydrophobicContact CD1-CD1 4.27Å; Y776-F797 CarbonylContact C-O 3.56Å; Y776-F797 WeakPolarHBondContact CA-O 3.42Å; Y776-N798 HydrophobicContact CD1-CB 4.27Å; Y776-N798 HydrophobicContact CE1-CB 4.06Å; Y776-N798 VanDerWaalsContact CE1-ND2 3.25Å; Y776-N798 WeakPolarHBondContact CE1-ND2 3.46Å; Y776-N798 PolarHBondContact OH-ND2 3.41Å
777	Q	97.7	Very high	94.6	Very high	55 Å²	55	54.1 Å²	54.1	26%	0.257	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.3	172	-175.5	175.2	-6.5	0	0	109.4	F797 Q799	Q777-F797 HydrophobicContact CB-CB 4.37Å; Q777-F797 HydrophobicContact CB-CD1 4.25Å; Q777-F797 PolarHBondContact N-O 2.94Å; Q777-F797 PolarHBondContact O-N 2.94Å; Q777-Q799 VanDerWaalsContact OE1-NE2 3.15Å
778	V	98.1	Very high	94.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.3	177.5	-176.2	0	0	0	0	107.8	W735 P765 S770 S771 Y773 M794 T795 L796	W735-V778 HydrophobicContact CD2-CG2 3.74Å; W735-V778 VanDerWaalsContact CE2-CG2 3.4Å; W735-V778 HydrophobicContact CE3-CG2 4.32Å; W735-V778 HydrophobicContact CG-CG2 4.09Å; W735-V778 HydrophobicContact CH2-CG1 4.24Å; W735-V778 HydrophobicContact CH2-CG2 4.27Å; W735-V778 HydrophobicContact CZ2-CB 4.44Å; W735-V778 HydrophobicContact CZ2-CG1 3.95Å; W735-V778 HydrophobicContact CZ2-CG2 3.67Å; P765-V778 HydrophobicContact CG-CG1 4.25Å; S770-V778 CarbonylContact C-O 3.59Å; S770-V778 WeakPolarHBondContact CA-O 3.38Å; S771-V778 PolarHBondContact N-O 3.05Å; S771-V778 PolarHBondContact O-N 2.98Å; Y773-V778 HydrophobicContact CD2-CG2 3.79Å; Y773-V778 HydrophobicContact CE2-CB 4.14Å; Y773-V778 HydrophobicContact CE2-CG2 3.79Å; V778-M794 HydrophobicContact CG1-SD 3.96Å; V778-T795 WeakPolarHBondContact CA-O 3.5Å; V778-L796 HydrophobicContact CG2-CD1 3.9Å
779	T	97.9	Very high	94.9	Very high	31 Å²	31	46.7 Å²	46.7	19%	0.19	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.9	170.9	-59.6	0	0	0	0	108.9	G769 S770 M794 T795	G769-T779 WeakPolarHBondContact O-CA 3.4Å; S770-T779 PolarHBondContact OG-OG1 3.17Å; T779-M794 CarbonylContact O-C 3.48Å; T779-M794 WeakPolarHBondContact O-CA 3Å; T779-M794 WeakPolarHBondContact O-CB 3.37Å; T779-T795 PolarHBondContact N-O 3.31Å; T779-T795 PolarHBondContact O-N 2.94Å
780	C	97.6	Very high	95	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.9	173.4	-173.7	0	0	0	0	109.3	P765 T768 G769 M794	P765-C780 HydrophobicContact CG-CB 3.93Å; T768-C780 WeakPolarHBondContact CA-O 3.14Å; T768-C780 PolarHBondContact N-O 2.87Å; G769-C780 PolarHBondContact O-N 3.5Å; C780-M794 HydrophobicContact CB-CG 4.41Å
781	H	97.1	Very high	95.1	Very high	101 Å²	101	45.8 Å²	45.8	47%	0.468	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-39	-175.4	-59.5	-65.2	0	0	0	112.4	K793 T795	H781-K793 PolarHBondContact N-O 2.85Å; H781-T795 PolarHBondContact NE2-OG1 2.85Å
782	S	95.9	Very high	95.1	Very high	29 Å²	29	44.2 Å²	44.2	20%	0.203	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.5	174.2	69.6	0	0	0	0	111.9	E784 R792 K793	S782-E784 VanDerWaalsContact CB-OE1 3.24Å; S782-E784 WeakPolarHBondContact CB-OE1 3.22Å; S782-E784 PolarHBondContact OG-OE1 3.16Å; S782-R792 VanDerWaalsContact O-CA 3.3Å; S782-R792 WeakPolarHBondContact O-CA 3.2Å; S782-K793 PolarHBondContact O-N 3.23Å; S782-K793 WeakPolarHBondContact OG-CD 3.4Å
783	E	96	Very high	95.2	Very high	73 Å²	73	45.2 Å²	45.2	34%	0.341	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.5	169	-179.6	165.4	158.1	0	0	108.3	P767 I790 F791 R792	P767-E783 HydrophobicContact CB-CB 4.36Å; P767-E783 HydrophobicContact CG-CB 3.68Å; E783-I790 HydrophobicContact CG-CG2 3.45Å; E783-I790 VanDerWaalsContact CG-CG2 3.45Å; E783-F791 WeakPolarHBondContact CA-O 3.37Å; E783-R792 HydrophobicContact CB-CG 4.19Å; E783-R792 VanDerWaalsContact CD-NE 3.33Å; E783-R792 HydrophobicContact CG-CG 4.05Å; E783-R792 IonicContact OE1-CZ 3.29Å; E783-R792 IonicContact OE1-NE 2.68Å; E783-R792 IonicContact OE1-NH2 3.06Å; E783-R792 PolarHBondContact OE1-NH2 2.87Å; E783-R792 IonicContact OE2-CZ 3.37Å; E783-R792 VanDerWaalsContact OE2-CZ 3.29Å; E783-R792 IonicContact OE2-NE 2.76Å; E783-R792 PolarHBondContact OE2-NE 2.96Å; E783-R792 IonicContact OE2-NH2 3.48Å; E783-R792 PolarHBondContact OE2-NH2 3.47Å
784	E	94.5	Very high	95.3	Very high	92 Å²	92	43.8 Å²	43.8	43%	0.43	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.1	-173	-74.4	152.3	-125.4	0	0	108.1	S782 F791 K793	S782-E784 VanDerWaalsContact CB-OE1 3.24Å; S782-E784 WeakPolarHBondContact CB-OE1 3.22Å; S782-E784 PolarHBondContact OG-OE1 3.16Å; E784-F791 PolarHBondContact N-O 3Å; E784-F791 WeakPolarHBondContact O-CB 3.14Å; E784-F791 WeakPolarHBondContact O-CD2 3.25Å; E784-F791 PolarHBondContact O-N 3.49Å; E784-K793 IonicContact OE1-NZ 2.77Å; E784-K793 PolarHBondContact OE1-NZ 2.89Å; E784-K793 IonicContact OE2-NZ 2.65Å; E784-K793 PolarHBondContact OE2-NZ 2.81Å
785	G	90.3	Very high	95.5	Very high	59 Å²	59	43 Å²	43	61%	0.608	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-173.3	-178.7	-174.5	0	0	0	0	0	115.4	Y789	G785-Y789 CarbonylContact C-O 3.56Å; G785-Y789 VanDerWaalsContact CA-O 3.25Å; G785-Y789 WeakPolarHBondContact CA-O 3.27Å
786	N	90.9	Very high	95.7	Very high	67 Å²	67	42 Å²	42	36%	0.358	23%	0.228	S	C	.	.			trans	-126.7	-168.1	172.7	69.4	9.5	0	0	0	110	A788 Y789	N786-A788 PolarHBondContact O-N 2.82Å; N786-A788 WeakPolarHBondContact OD1-CA 3.48Å; N786-A788 PolarHBondContact OD1-N 3.11Å; N786-Y789 PolarHBondContact N-O 3.41Å; N786-Y789 PolarHBondContact OD1-N 3.03Å; N786-Y789 PolarHBondContact OD1-O 3.46Å
787	T	88.6	Confident	95.8	Very high	127 Å²	127	44 Å²	44	78%	0.779	24%	0.237	S	C	*	.	S	Bend	trans	-68.5	-14.4	178.2	44.7	0	0	0	0	114.7	I813	T787-I813 WeakPolarHBondContact O-CD1 3.39Å
788	A	91.6	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-104.2	-36	-176.8	0	0	0	0	0	113.7	N786 Y812 I813 A814 D826	N786-A788 PolarHBondContact O-N 2.82Å; N786-A788 WeakPolarHBondContact OD1-CA 3.48Å; N786-A788 PolarHBondContact OD1-N 3.11Å; A788-Y812 HydrophobicContact CB-CE2 4.5Å; A788-I813 VanDerWaalsContact C-CG1 3.46Å; A788-I813 VanDerWaalsContact O-CG1 3.26Å; A788-I813 WeakPolarHBondContact O-CG1 3.3Å; A788-I813 PolarHBondContact O-N 3.04Å; A788-A814 HydrophobicContact CB-CB 3.98Å; A788-A814 PolarHBondContact O-N 2.98Å; A788-D826 HydrophobicContact CB-CB 3.82Å; A788-D826 VanDerWaalsContact CB-CG 3.45Å; A788-D826 WeakPolarHBondContact CB-OD1 3.38Å
789	Y	94.3	Very high	95.5	Very high	20 Å²	20	45.9 Å²	45.9	8%	0.078	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	153.7	-177.7	48	-105.5	0	0	0	114.5	G785 N786 F791 Q811 Y812 D829 F830 H833	G785-Y789 CarbonylContact C-O 3.56Å; G785-Y789 VanDerWaalsContact CA-O 3.25Å; G785-Y789 WeakPolarHBondContact CA-O 3.27Å; N786-Y789 PolarHBondContact N-O 3.41Å; N786-Y789 PolarHBondContact OD1-N 3.03Å; N786-Y789 PolarHBondContact OD1-O 3.46Å; Y789-F791 HydrophobicContact CD2-CD2 4.47Å; Y789-F791 AromaticContact CD2-CE2 3.58Å; Y789-F791 HydrophobicContact CD2-CE2 3.58Å; Y789-F791 AromaticContact CD2-CZ 3.96Å; Y789-F791 HydrophobicContact CD2-CZ 3.96Å; Y789-F791 AromaticContact CE2-CE2 3.73Å; Y789-F791 HydrophobicContact CE2-CE2 3.73Å; Y789-F791 HydrophobicContact CE2-CZ 4.07Å; Y789-Q811 CarbonylContact C-O 3.52Å; Y789-Q811 WeakPolarHBondContact CA-O 3.29Å; Y789-Q811 WeakPolarHBondContact CB-O 3.4Å; Y789-Y812 HydrophobicContact CD1-CD2 4.39Å; Y789-D829 HydrophobicContact CE1-CB 4.15Å; Y789-F830 HydrophobicContact CD1-CB 3.95Å; Y789-F830 HydrophobicContact CD1-CD2 4.11Å; Y789-F830 HydrophobicContact CE1-CB 4.39Å; Y789-F830 AromaticContact CG-CD2 4Å; Y789-F830 HydrophobicContact CG-CD2 4Å; Y789-H833 AromaticContact CE2-CD2 3.88Å; Y789-H833 AromaticContact CE2-NE2 3.94Å; Y789-H833 AromaticContact CZ-CD2 3.72Å; Y789-H833 AromaticContact CZ-NE2 3.74Å; Y789-H833 PolarHBondContact OH-NE2 2.75Å
790	I	96.4	Very high	95.3	Very high	26 Å²	26	51.6 Å²	51.6	13%	0.133	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.4	-177.1	-57.5	173.6	0	0	0	109.6	E783 R792 Q811 I813	E783-I790 HydrophobicContact CG-CG2 3.45Å; E783-I790 VanDerWaalsContact CG-CG2 3.45Å; I790-R792 HydrophobicContact CG2-CG 4.34Å; I790-Q811 HydrophobicContact CB-CB 4.48Å; I790-Q811 PolarHBondContact N-O 3.27Å; I790-Q811 PolarHBondContact O-N 2.77Å; I790-I813 HydrophobicContact CD1-CD1 4.15Å; I790-I813 HydrophobicContact CD1-CG2 4.11Å; I790-I813 HydrophobicContact CG1-CD1 4.21Å; I790-I813 HydrophobicContact CG1-CG2 4.49Å
791	F	97.3	Very high	95.1	Very high	39 Å²	39	57.4 Å²	57.4	17%	0.171	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.5	169.2	-56.9	-89.5	0	0	0	109.8	E783 E784 Y789 I810 H833	E783-F791 WeakPolarHBondContact CA-O 3.37Å; E784-F791 PolarHBondContact N-O 3Å; E784-F791 WeakPolarHBondContact O-CB 3.14Å; E784-F791 WeakPolarHBondContact O-CD2 3.25Å; E784-F791 PolarHBondContact O-N 3.49Å; Y789-F791 HydrophobicContact CD2-CD2 4.47Å; Y789-F791 AromaticContact CD2-CE2 3.58Å; Y789-F791 HydrophobicContact CD2-CE2 3.58Å; Y789-F791 AromaticContact CD2-CZ 3.96Å; Y789-F791 HydrophobicContact CD2-CZ 3.96Å; Y789-F791 AromaticContact CE2-CE2 3.73Å; Y789-F791 HydrophobicContact CE2-CE2 3.73Å; Y789-F791 HydrophobicContact CE2-CZ 4.07Å; F791-I810 HydrophobicContact CD1-CB 4.42Å; F791-I810 HydrophobicContact CD1-CD1 4.34Å; F791-I810 HydrophobicContact CD1-CG1 4.06Å; F791-I810 HydrophobicContact CD1-CG2 3.74Å; F791-I810 HydrophobicContact CE1-CD1 4.23Å; F791-I810 HydrophobicContact CE1-CG1 4.36Å; F791-I810 HydrophobicContact CE1-CG2 3.6Å; F791-I810 HydrophobicContact CZ-CG2 4.37Å; F791-H833 HydrophobicContact CE1-CB 3.92Å; F791-H833 HydrophobicContact CZ-CB 3.8Å; F791-H833 AromaticContact CZ-CD2 3.93Å; F791-H833 AromaticContact CZ-CG 3.6Å; F791-H833 AromaticContact CZ-ND1 3.89Å
792	R	97.6	Very high	95	Very high	11 Å²	11	58.8 Å²	58.8	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.4	169.7	-63	-177.3	-177.7	87.5	14.3	110.6	S782 E783 I790 M794 T808 Q809	S782-R792 VanDerWaalsContact O-CA 3.3Å; S782-R792 WeakPolarHBondContact O-CA 3.2Å; E783-R792 HydrophobicContact CB-CG 4.19Å; E783-R792 VanDerWaalsContact CD-NE 3.33Å; E783-R792 HydrophobicContact CG-CG 4.05Å; E783-R792 IonicContact OE1-CZ 3.29Å; E783-R792 IonicContact OE1-NE 2.68Å; E783-R792 IonicContact OE1-NH2 3.06Å; E783-R792 PolarHBondContact OE1-NH2 2.87Å; E783-R792 IonicContact OE2-CZ 3.37Å; E783-R792 VanDerWaalsContact OE2-CZ 3.29Å; E783-R792 IonicContact OE2-NE 2.76Å; E783-R792 PolarHBondContact OE2-NE 2.96Å; E783-R792 IonicContact OE2-NH2 3.48Å; E783-R792 PolarHBondContact OE2-NH2 3.47Å; I790-R792 HydrophobicContact CG2-CG 4.34Å; R792-M794 HydrophobicContact CB-CE 3.63Å; R792-M794 HydrophobicContact CB-CG 4.34Å; R792-M794 HydrophobicContact CG-CE 4.25Å; R792-T808 WeakPolarHBondContact O-CA 3.26Å; R792-Q809 HydrophobicContact CB-CB 4.23Å; R792-Q809 PolarHBondContact N-O 3.02Å; R792-Q809 PolarHBondContact O-N 2.94Å
793	K	97.6	Very high	95	Very high	97 Å²	97	60.9 Å²	60.9	42%	0.422	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.2	172.5	-62.9	174	-164.7	142.4	0	107.6	H781 S782 E784	H781-K793 PolarHBondContact N-O 2.85Å; S782-K793 PolarHBondContact O-N 3.23Å; S782-K793 WeakPolarHBondContact OG-CD 3.4Å; E784-K793 IonicContact OE1-NZ 2.77Å; E784-K793 PolarHBondContact OE1-NZ 2.89Å; E784-K793 IonicContact OE2-NZ 2.65Å; E784-K793 PolarHBondContact OE2-NZ 2.81Å
794	M	97.9	Very high	95.1	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.025	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.3	-174.5	-60.5	-174.7	-175.5	0	0	112	W735 W764 V778 T779 C780 R792 L807 Q809	W735-M794 HydrophobicContact CH2-SD 4.12Å; W764-M794 HydrophobicContact CB-CE 3.5Å; W764-M794 VanDerWaalsContact CB-CE 3.5Å; W764-M794 HydrophobicContact CB-SD 4.26Å; W764-M794 HydrophobicContact CG-CE 3.82Å; V778-M794 HydrophobicContact CG1-SD 3.96Å; T779-M794 CarbonylContact O-C 3.48Å; T779-M794 WeakPolarHBondContact O-CA 3Å; T779-M794 WeakPolarHBondContact O-CB 3.37Å; C780-M794 HydrophobicContact CB-CG 4.41Å; R792-M794 HydrophobicContact CB-CE 3.63Å; R792-M794 HydrophobicContact CB-CG 4.34Å; R792-M794 HydrophobicContact CG-CE 4.25Å; M794-L807 WeakPolarHBondContact CA-O 3.38Å; M794-L807 HydrophobicContact CB-CB 4.38Å; M794-L807 HydrophobicContact CB-CD2 4.15Å; M794-L807 HydrophobicContact CG-CD2 4.49Å; M794-L807 PolarHBondContact N-O 3.31Å; M794-L807 PolarHBondContact O-N 2.76Å; M794-L807 VanDerWaalsContact O-O 3.12Å; M794-L807 HydrophobicContact SD-CD2 4.05Å; M794-Q809 HydrophobicContact CE-CB 3.83Å; M794-Q809 HydrophobicContact SD-CB 4.41Å
795	T	97.9	Very high	95.2	Very high	35 Å²	35	60.5 Å²	60.5	22%	0.215	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.8	159.9	-64.6	0	0	0	0	109	V778 T779 H781 R805	V778-T795 WeakPolarHBondContact CA-O 3.5Å; T779-T795 PolarHBondContact N-O 3.31Å; T779-T795 PolarHBondContact O-N 2.94Å; H781-T795 PolarHBondContact NE2-OG1 2.85Å; T795-R805 WeakPolarHBondContact CA-O 3.42Å
796	L	98	Very high	95.5	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.3	168	-178.4	60.3	0	0	0	107.6	W735 T738 W739 Y776 V778 S804 R805	W735-L796 HydrophobicContact CB-CD1 4.31Å; W735-L796 HydrophobicContact CD2-CD1 4.22Å; W735-L796 HydrophobicContact CE3-CD1 3.92Å; W735-L796 HydrophobicContact CE3-CD2 3.95Å; W735-L796 HydrophobicContact CG-CD1 4.42Å; W735-L796 HydrophobicContact CZ3-CD2 4.45Å; T738-L796 HydrophobicContact CG2-CD2 4.24Å; W739-L796 HydrophobicContact CB-CD2 4.12Å; W739-L796 HydrophobicContact CE3-CD2 3.87Å; W739-L796 HydrophobicContact CE3-CG 3.84Å; W739-L796 HydrophobicContact CZ3-CG 4.35Å; W739-L796 WeakPolarHBondContact CZ3-O 3.42Å; Y776-L796 HydrophobicContact CD1-CD1 4.27Å; V778-L796 HydrophobicContact CG2-CD1 3.9Å; L796-S804 CarbonylContact O-C 3.46Å; L796-S804 WeakPolarHBondContact O-CA 3.38Å; L796-R805 PolarHBondContact N-O 2.82Å; L796-R805 PolarHBondContact O-N 2.98Å
797	F	97.9	Very high	95.8	Very high	51 Å²	51	59.8 Å²	59.8	22%	0.224	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.9	-179.7	175.6	-116.7	0	0	0	109.5	Y776 Q777 Q799 N802 E803	Y776-F797 CarbonylContact C-O 3.56Å; Y776-F797 WeakPolarHBondContact CA-O 3.42Å; Q777-F797 HydrophobicContact CB-CB 4.37Å; Q777-F797 HydrophobicContact CB-CD1 4.25Å; Q777-F797 PolarHBondContact N-O 2.94Å; Q777-F797 PolarHBondContact O-N 2.94Å; F797-Q799 HydrophobicContact CD1-CG 3.86Å; F797-Q799 HydrophobicContact CE1-CB 4.42Å; F797-Q799 HydrophobicContact CE1-CG 3.75Å; F797-N802 WeakPolarHBondContact CZ-OD1 3.47Å; F797-E803 WeakPolarHBondContact CA-O 3.33Å; F797-E803 WeakPolarHBondContact CD2-O 3.46Å
798	N	96.8	Very high	96.2	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.3	173.2	176.8	-58.1	0	0	0	108.7	W739 Y776 E800 K801 N802 E803	W739-N798 HydrophobicContact CD2-CB 4.08Å; W739-N798 HydrophobicContact CE3-CB 4.43Å; W739-N798 HydrophobicContact CH2-CB 3.77Å; W739-N798 HydrophobicContact CZ2-CB 3.36Å; W739-N798 HydrophobicContact CZ3-CB 4.27Å; W739-N798 PolarHBondContact NE1-ND2 2.85Å; Y776-N798 HydrophobicContact CD1-CB 4.27Å; Y776-N798 HydrophobicContact CE1-CB 4.06Å; Y776-N798 VanDerWaalsContact CE1-ND2 3.25Å; Y776-N798 WeakPolarHBondContact CE1-ND2 3.46Å; Y776-N798 PolarHBondContact OH-ND2 3.41Å; N798-E800 WeakPolarHBondContact OD1-CB 3.4Å; N798-E800 PolarHBondContact OD1-N 3.01Å; N798-K801 HydrophobicContact CB-CB 4.42Å; N798-K801 PolarHBondContact O-N 3.42Å; N798-K801 WeakPolarHBondContact OD1-CB 3.33Å; N798-K801 WeakPolarHBondContact OD1-CG 3.47Å; N798-K801 PolarHBondContact OD1-N 3.03Å; N798-N802 WeakPolarHBondContact O-CA 3.42Å; N798-N802 PolarHBondContact O-N 3.24Å; N798-E803 PolarHBondContact N-O 3.34Å; N798-E803 PolarHBondContact O-N 3.38Å
799	Q	94.5	Very high	96.5	Very high	92 Å²	92	55.3 Å²	55.3	43%	0.43	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-27.8	-173.9	-63.9	-179.1	-17.7	0	0	113.2	C775 Q777 F797	C775-Q799 WeakPolarHBondContact O-CB 3.44Å; C775-Q799 WeakPolarHBondContact O-CG 3.47Å; C775-Q799 PolarHBondContact O-N 3.15Å; Q777-Q799 VanDerWaalsContact OE1-NE2 3.15Å; F797-Q799 HydrophobicContact CD1-CG 3.86Å; F797-Q799 HydrophobicContact CE1-CB 4.42Å; F797-Q799 HydrophobicContact CE1-CG 3.75Å
800	E	93.3	Very high	96.7	Very high	152 Å²	152	54.3 Å²	54.3	71%	0.71	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-34.3	177.6	-68.6	163.7	-176.2	0	0	112.2	C775 N798	C775-E800 HydrophobicContact CB-CG 3.75Å; C775-E800 VanDerWaalsContact CB-OE1 3.22Å; C775-E800 WeakPolarHBondContact CB-OE1 3.42Å; C775-E800 PolarHBondContact SG-OE1 3.49Å; N798-E800 WeakPolarHBondContact OD1-CB 3.4Å; N798-E800 PolarHBondContact OD1-N 3.01Å
801	K	92.7	Very high	96.7	Very high	121 Å²	121	53.5 Å²	53.5	53%	0.526	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-16.5	-179.8	-65.5	-166.5	169.6	-155.9	0	114	W739 N798 E803	W739-K801 HydrophobicContact CZ2-CD 4.47Å; N798-K801 HydrophobicContact CB-CB 4.42Å; N798-K801 PolarHBondContact O-N 3.42Å; N798-K801 WeakPolarHBondContact OD1-CB 3.33Å; N798-K801 WeakPolarHBondContact OD1-CG 3.47Å; N798-K801 PolarHBondContact OD1-N 3.03Å; K801-E803 HydrophobicContact CB-CB 4.2Å; K801-E803 HydrophobicContact CB-CG 4.02Å; K801-E803 WeakPolarHBondContact CD-OE1 3.41Å; K801-E803 PolarHBondContact O-N 2.98Å
802	N	94.9	Very high	96.7	Very high	131 Å²	131	51.8 Å²	51.8	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31.3	-169.1	-163.9	38.7	0	0	0	112.9	F797 N798	F797-N802 WeakPolarHBondContact CZ-OD1 3.47Å; N798-N802 WeakPolarHBondContact O-CA 3.42Å; N798-N802 PolarHBondContact O-N 3.24Å
803	E	97.3	Very high	96.5	Very high	73 Å²	73	53.6 Å²	53.6	34%	0.341	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.8	176.9	-76.1	176.7	-145.6	0	0	109.9	W739 F797 N798 K801 R805	W739-E803 HydrophobicContact CH2-CB 3.52Å; W739-E803 WeakPolarHBondContact CH2-O 3.35Å; W739-E803 HydrophobicContact CZ2-CB 3.63Å; W739-E803 HydrophobicContact CZ2-CG 4.45Å; W739-E803 VanDerWaalsContact CZ2-OE2 3.25Å; W739-E803 WeakPolarHBondContact CZ2-OE2 3.4Å; F797-E803 WeakPolarHBondContact CA-O 3.33Å; F797-E803 WeakPolarHBondContact CD2-O 3.46Å; N798-E803 PolarHBondContact N-O 3.34Å; N798-E803 PolarHBondContact O-N 3.38Å; K801-E803 HydrophobicContact CB-CB 4.2Å; K801-E803 HydrophobicContact CB-CG 4.02Å; K801-E803 WeakPolarHBondContact CD-OE1 3.41Å; K801-E803 PolarHBondContact O-N 2.98Å; E803-R805 IonicContact OE2-CZ 2.71Å; E803-R805 IonicContact OE2-NE 3.7Å; E803-R805 IonicContact OE2-NH2 2.84Å; E803-R805 PolarHBondContact OE2-NH2 2.85Å
804	S	96.4	Very high	96.2	Very high	80 Å²	80	50.8 Å²	50.8	56%	0.559	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.6	168.9	74.6	0	0	0	0	111.6	L796	L796-S804 CarbonylContact O-C 3.46Å; L796-S804 WeakPolarHBondContact O-CA 3.38Å
805	R	96.8	Very high	95.8	Very high	76 Å²	76	51 Å²	51	29%	0.287	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	135.6	178.5	-63.7	178.8	-165.3	169.3	6.1	110.8	W739 T795 L796 E803	W739-R805 HydrophobicContact CE3-CG 4.32Å; W739-R805 HydrophobicContact CH2-CG 3.78Å; W739-R805 VanDerWaalsContact CH2-NE 3.34Å; W739-R805 HydrophobicContact CZ3-CB 3.92Å; W739-R805 VanDerWaalsContact CZ3-CD 3.43Å; W739-R805 HydrophobicContact CZ3-CG 3.5Å; W739-R805 VanDerWaalsContact CZ3-CG 3.5Å; W739-R805 PolarHBondContact O-NH1 3.37Å; T795-R805 WeakPolarHBondContact CA-O 3.42Å; L796-R805 PolarHBondContact N-O 2.82Å; L796-R805 PolarHBondContact O-N 2.98Å; E803-R805 IonicContact OE2-CZ 2.71Å; E803-R805 IonicContact OE2-NE 3.7Å; E803-R805 IonicContact OE2-NH2 2.84Å; E803-R805 PolarHBondContact OE2-NH2 2.85Å
806	P	96.8	Very high	95.1	Very high	104 Å²	104	51.5 Å²	51.5	68%	0.675	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.4	172.9	31.1	-33.9	0	0	0	110.1
807	L	96.8	Very high	93.6	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.7	-179.5	-176.7	142.4	0	0	0	110.5	W735 T738 S744 V746 M794	W735-L807 HydrophobicContact CH2-CD2 4.27Å; W735-L807 HydrophobicContact CZ3-CD1 3.84Å; W735-L807 HydrophobicContact CZ3-CD2 4.23Å; T738-L807 HydrophobicContact CG2-CD1 3.5Å; T738-L807 VanDerWaalsContact CG2-CD1 3.5Å; S744-L807 WeakPolarHBondContact O-CA 3.13Å; V746-L807 HydrophobicContact CG2-CD1 4.09Å; V746-L807 HydrophobicContact CG2-CD2 4.15Å; V746-L807 HydrophobicContact CG2-CG 4.48Å; M794-L807 WeakPolarHBondContact CA-O 3.38Å; M794-L807 HydrophobicContact CB-CB 4.38Å; M794-L807 HydrophobicContact CB-CD2 4.15Å; M794-L807 HydrophobicContact CG-CD2 4.49Å; M794-L807 PolarHBondContact N-O 3.31Å; M794-L807 PolarHBondContact O-N 2.76Å; M794-L807 VanDerWaalsContact O-O 3.12Å; M794-L807 HydrophobicContact SD-CD2 4.05Å
808	T	97.4	Very high	91.9	Very high	33 Å²	33	57.7 Å²	57.7	20%	0.202	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.3	172	-53.2	0	0	0	0	109.8	S744 M745 V746 R792 I810	S744-T808 PolarHBondContact O-N 2.85Å; M745-T808 WeakPolarHBondContact CA-O 3.41Å; V746-T808 PolarHBondContact N-O 3.05Å; R792-T808 WeakPolarHBondContact O-CA 3.26Å; T808-I810 HydrophobicContact CG2-CD1 4.42Å; T808-I810 HydrophobicContact CG2-CG1 3.89Å
809	Q	98.1	Very high	91	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.3	164.3	-164.8	-161.6	49.5	0	0	108.7	V746 Y763 R792 M794	V746-Q809 HydrophobicContact CB-CG 4.25Å; V746-Q809 HydrophobicContact CG1-CG 4.28Å; V746-Q809 CarbonylContact O-C 3.57Å; V746-Q809 VanDerWaalsContact O-CA 3.27Å; V746-Q809 WeakPolarHBondContact O-CA 3.13Å; Y763-Q809 VanDerWaalsContact CZ-NE2 3.3Å; Y763-Q809 PolarHBondContact OH-NE2 2.98Å; R792-Q809 HydrophobicContact CB-CB 4.23Å; R792-Q809 PolarHBondContact N-O 3.02Å; R792-Q809 PolarHBondContact O-N 2.94Å; M794-Q809 HydrophobicContact CE-CB 3.83Å; M794-Q809 HydrophobicContact SD-CB 4.41Å
810	I	97.9	Very high	90.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.1	174.7	-41.9	-179.5	0	0	0	107.9	M745 V746 V747 M748 F791 T808 F830 V834 K837	M745-I810 HydrophobicContact CG-CD1 4.29Å; M745-I810 HydrophobicContact CG-CG1 4.48Å; M745-I810 HydrophobicContact SD-CD1 3.83Å; V746-I810 PolarHBondContact O-N 3.02Å; V747-I810 CarbonylContact C-O 3.59Å; V747-I810 WeakPolarHBondContact CA-O 3.36Å; M748-I810 PolarHBondContact N-O 2.77Å; F791-I810 HydrophobicContact CD1-CB 4.42Å; F791-I810 HydrophobicContact CD1-CD1 4.34Å; F791-I810 HydrophobicContact CD1-CG1 4.06Å; F791-I810 HydrophobicContact CD1-CG2 3.74Å; F791-I810 HydrophobicContact CE1-CD1 4.23Å; F791-I810 HydrophobicContact CE1-CG1 4.36Å; F791-I810 HydrophobicContact CE1-CG2 3.6Å; F791-I810 HydrophobicContact CZ-CG2 4.37Å; T808-I810 HydrophobicContact CG2-CD1 4.42Å; T808-I810 HydrophobicContact CG2-CG1 3.89Å; I810-F830 HydrophobicContact CB-CE2 4.43Å; I810-F830 HydrophobicContact CG2-CD2 4.19Å; I810-F830 HydrophobicContact CG2-CE2 3.58Å; I810-F830 HydrophobicContact CG2-CZ 4.19Å; I810-V834 HydrophobicContact CD1-CG2 4.22Å; I810-K837 HydrophobicContact CD1-CB 4.26Å; I810-K837 HydrophobicContact CD1-CG 4.12Å
811	Q	97.8	Very high	90.5	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.8	-174.7	-177	178	13.3	0	0	111	M748 T750 Y789 I790 I813	M748-Q811 HydrophobicContact CB-CB 4.16Å; M748-Q811 HydrophobicContact CB-CG 4.04Å; M748-Q811 HydrophobicContact CG-CG 3.91Å; M748-Q811 CarbonylContact O-C 3.52Å; M748-Q811 VanDerWaalsContact O-CA 3.28Å; M748-Q811 WeakPolarHBondContact O-CA 3.1Å; M748-Q811 HydrophobicContact SD-CG 4.25Å; T750-Q811 PolarHBondContact O-NE2 3.23Å; Y789-Q811 CarbonylContact C-O 3.52Å; Y789-Q811 WeakPolarHBondContact CA-O 3.29Å; Y789-Q811 WeakPolarHBondContact CB-O 3.4Å; I790-Q811 HydrophobicContact CB-CB 4.48Å; I790-Q811 PolarHBondContact N-O 3.27Å; I790-Q811 PolarHBondContact O-N 2.77Å; Q811-I813 HydrophobicContact CG-CG2 3.88Å
812	Y	96.3	Very high	89.9	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.3	169.3	-167.5	-101.6	0	0	0	109.6	M748 A788 Y789 A814 W815 P821 D826 F827 F830	M748-Y812 PolarHBondContact O-N 2.66Å; A788-Y812 HydrophobicContact CB-CE2 4.5Å; Y789-Y812 HydrophobicContact CD1-CD2 4.39Å; Y812-A814 HydrophobicContact CE1-CB 4.28Å; Y812-W815 HydrophobicContact CD1-CB 3.86Å; Y812-W815 AromaticContact CD1-CE3 3.93Å; Y812-W815 HydrophobicContact CD1-CE3 3.93Å; Y812-W815 HydrophobicContact CE1-CB 3.87Å; Y812-W815 HydrophobicContact CE1-CD2 4.47Å; Y812-W815 AromaticContact CE1-CE3 3.98Å; Y812-W815 HydrophobicContact CE1-CE3 3.98Å; Y812-W815 VanDerWaalsContact CE1-N 3.34Å; Y812-P821 HydrophobicContact CE1-CG 4.49Å; Y812-D826 HydrophobicContact CE2-CB 4.26Å; Y812-F827 HydrophobicContact CE2-CB 4.36Å; Y812-F830 HydrophobicContact CD2-CB 3.77Å; Y812-F830 HydrophobicContact CD2-CD1 4.23Å; Y812-F830 AromaticContact CD2-CD2 3.69Å; Y812-F830 HydrophobicContact CD2-CD2 3.69Å; Y812-F830 HydrophobicContact CD2-CE2 4.25Å; Y812-F830 AromaticContact CD2-CG 3.63Å; Y812-F830 HydrophobicContact CD2-CG 3.63Å; Y812-F830 HydrophobicContact CE2-CB 4.1Å; Y812-F830 HydrophobicContact CE2-CG 4.43Å; Y812-F830 HydrophobicContact CG-CD2 4.28Å; Y812-F830 HydrophobicContact CG-CE2 4.42Å; Y812-F830 HydrophobicContact CG-CG 4.33Å
813	I	93.4	Very high	89.5	Confident	50 Å²	50	50.4 Å²	50.4	26%	0.256	29%	0.287	S	S	.	.			trans	-109.8	-23.8	-175.2	58.4	165.8	0	0	0	113.4	T787 A788 I790 Q811 W815	T787-I813 WeakPolarHBondContact O-CD1 3.39Å; A788-I813 VanDerWaalsContact C-CG1 3.46Å; A788-I813 VanDerWaalsContact O-CG1 3.26Å; A788-I813 WeakPolarHBondContact O-CG1 3.3Å; A788-I813 PolarHBondContact O-N 3.04Å; I790-I813 HydrophobicContact CD1-CD1 4.15Å; I790-I813 HydrophobicContact CD1-CG2 4.11Å; I790-I813 HydrophobicContact CG1-CD1 4.21Å; I790-I813 HydrophobicContact CG1-CG2 4.49Å; Q811-I813 HydrophobicContact CG-CG2 3.88Å; I813-W815 PolarHBondContact O-N 2.83Å; I813-W815 VanDerWaalsContact O-N 3.13Å
814	A	90.9	Very high	89.3	Confident	38 Å²	38	47.4 Å²	47.4	31%	0.314	28%	0.275	S	S	.	.			trans	-78.1	16.6	178.7	0	0	0	0	0	115	A788 Y812 P816	A788-A814 HydrophobicContact CB-CB 3.98Å; A788-A814 PolarHBondContact O-N 2.98Å; Y812-A814 HydrophobicContact CE1-CB 4.28Å; A814-P816 WeakPolarHBondContact O-CD 3.45Å
815	W	89.8	Confident	89.1	Confident	8 Å²	8	45.8 Å²	45.8	3%	0.03	26%	0.263	C	S	.	.			trans	-82.2	120.3	173	-152.5	-55.8	0	0	0	110.2	Y812 I813 G819 V820 P821 F827 R855 V858 F900	Y812-W815 HydrophobicContact CD1-CB 3.86Å; Y812-W815 AromaticContact CD1-CE3 3.93Å; Y812-W815 HydrophobicContact CD1-CE3 3.93Å; Y812-W815 HydrophobicContact CE1-CB 3.87Å; Y812-W815 HydrophobicContact CE1-CD2 4.47Å; Y812-W815 AromaticContact CE1-CE3 3.98Å; Y812-W815 HydrophobicContact CE1-CE3 3.98Å; Y812-W815 VanDerWaalsContact CE1-N 3.34Å; I813-W815 PolarHBondContact O-N 2.83Å; I813-W815 VanDerWaalsContact O-N 3.13Å; W815-G819 PolarHBondContact NE1-O 2.84Å; W815-G819 VanDerWaalsContact NE1-O 3.12Å; W815-V820 HydrophobicContact CZ2-CG1 4.37Å; W815-P821 HydrophobicContact CD2-CG 4.48Å; W815-F827 AromaticContact CZ3-CD2 3.96Å; W815-F827 HydrophobicContact CZ3-CD2 3.96Å; W815-F827 AromaticContact CZ3-CE2 3.95Å; W815-F827 HydrophobicContact CZ3-CE2 3.95Å; W815-R855 HydrophobicContact CD2-CB 4.31Å; W815-R855 VanDerWaalsContact CD2-CD 3.44Å; W815-R855 HydrophobicContact CD2-CG 3.68Å; W815-R855 HydrophobicContact CE3-CB 4.13Å; W815-R855 HydrophobicContact CE3-CG 4.03Å; W815-R855 VanDerWaalsContact CG-CD 3.49Å; W815-R855 HydrophobicContact CG-CG 4.19Å; W815-R855 HydrophobicContact CH2-CB 4.11Å; W815-R855 HydrophobicContact CH2-CG 4.15Å; W815-R855 HydrophobicContact CZ2-CB 4.28Å; W815-R855 HydrophobicContact CZ2-CG 3.81Å; W815-R855 HydrophobicContact CZ3-CB 4.03Å; W815-R855 HydrophobicContact CZ3-CG 4.25Å; W815-V858 HydrophobicContact CH2-CB 3.88Å; W815-V858 HydrophobicContact CH2-CG1 3.67Å; W815-V858 HydrophobicContact CH2-CG2 4.27Å; W815-V858 HydrophobicContact CZ3-CG1 4.47Å; W815-F900 HydrophobicContact CH2-CE1 4.24Å
816	P	83.8	Confident	89	Confident	46 Å²	46	45.5 Å²	45.5	30%	0.299	27%	0.268	S	S	.	.			trans	-62.4	150.4	-179.2	23.4	-33.2	0	0	0	113.3	A814 H818 V820 R855	A814-P816 WeakPolarHBondContact O-CD 3.45Å; P816-H818 PolarHBondContact O-N 3.04Å; P816-H818 VanDerWaalsContact O-N 3.11Å; P816-V820 VanDerWaalsContact CG-C 3.48Å; P816-V820 VanDerWaalsContact CG-O 3.28Å; P816-V820 WeakPolarHBondContact CG-O 3.25Å; P816-R855 PolarHBondContact O-NH2 3.16Å
817	D	65.3	Low	88.9	Confident	60 Å²	60	40.6 Å²	40.6	32%	0.321	24%	0.235	S	C	.	.	S	Bend	trans	-56.5	-25.9	177.8	-74.7	-2.1	0	0	0	113.2	E754 R755	E754-D817 HydrophobicContact CB-CB 4.39Å; E754-D817 WeakPolarHBondContact CB-OD1 3.49Å; E754-D817 VanDerWaalsContact CG-OD1 3.25Å; E754-D817 WeakPolarHBondContact CG-OD1 3.4Å; R755-D817 HydrophobicContact CG-CB 3.96Å; R755-D817 WeakPolarHBondContact CG-OD2 3.32Å; R755-D817 PolarHBondContact N-OD2 3.23Å; R755-D817 IonicContact NE-OD2 3.82Å
818	H	62.8	Low	88.8	Confident	126 Å²	126	40.3 Å²	40.3	58%	0.583	23%	0.234	S	C	*	.	S	Bend	trans	-132.8	136.7	176.6	-74.8	-112.8	0	0	0	109.5	R755 P816	R755-H818 PolarHBondContact NE-CD2 2.77Å; R755-H818 PolarHBondContact NH1-CD2 2.93Å; R755-H818 VanDerWaalsContact NH1-CD2 3.33Å; R755-H818 PolarHBondContact NH1-NE2 3.07Å; P816-H818 PolarHBondContact O-N 3.04Å; P816-H818 VanDerWaalsContact O-N 3.11Å
819	G	77.8	Confident	88.7	Confident	39 Å²	39	42.3 Å²	42.3	40%	0.402	24%	0.243	S	C	.	.	S	Bend	trans	78.5	-132.2	176.4	0	0	0	0	0	114.4	W815	W815-G819 PolarHBondContact NE1-O 2.84Å; W815-G819 VanDerWaalsContact NE1-O 3.12Å
820	V	89.7	Confident	88.6	Confident	32 Å²	32	42.3 Å²	42.3	19%	0.194	24%	0.243	C	C	.	.			trans	-142.8	157.8	-168.9	-66.1	0	0	0	0	108.8	W815 P816 Q897 F900	W815-V820 HydrophobicContact CZ2-CG1 4.37Å; P816-V820 VanDerWaalsContact CG-C 3.48Å; P816-V820 VanDerWaalsContact CG-O 3.28Å; P816-V820 WeakPolarHBondContact CG-O 3.25Å; V820-Q897 HydrophobicContact CG1-CG 4.11Å; V820-F900 HydrophobicContact CB-CB 3.92Å; V820-F900 HydrophobicContact CB-CD2 3.83Å; V820-F900 HydrophobicContact CB-CG 3.85Å; V820-F900 HydrophobicContact CG1-CB 3.74Å; V820-F900 HydrophobicContact CG1-CG 4.05Å; V820-F900 HydrophobicContact CG2-CB 4.05Å; V820-F900 HydrophobicContact CG2-CD2 4.06Å; V820-F900 HydrophobicContact CG2-CG 4.29Å
821	P	88.3	Confident	88.5	Confident	11 Å²	11	42.3 Å²	42.3	7%	0.071	24%	0.243	C	C	.	.			trans	-55.4	142.7	169.8	-24.5	35.4	0	0	0	112	Y812 W815 D823 F900	Y812-P821 HydrophobicContact CE1-CG 4.49Å; W815-P821 HydrophobicContact CD2-CG 4.48Å; P821-D823 VanDerWaalsContact C-N 3.33Å; P821-D823 VanDerWaalsContact CB-O 3.25Å; P821-D823 WeakPolarHBondContact CB-O 3.43Å; P821-F900 HydrophobicContact CB-CE2 3.95Å; P821-F900 HydrophobicContact CB-CZ 4.18Å; P821-F900 HydrophobicContact CG-CE2 4.15Å; P821-F900 HydrophobicContact CG-CZ 3.95Å; P821-F900 WeakPolarHBondContact O-CE2 3.4Å
822	D	79.3	Confident	88.4	Confident	178 Å²	178	43.6 Å²	43.6	95%	0.952	25%	0.253	S	S	*	.	S	Bend	trans	-72.3	-25.2	-178.9	-62.5	-58.3	0	0	0	113.1
823	D	87.3	Confident	88.3	Confident	86 Å²	86	46.4 Å²	46.4	46%	0.46	27%	0.266	S	S	.	.	S	Bend	trans	-129.7	154.4	164.5	171.9	-112.8	0	0	0	109.8	P821 S825 K907	P821-D823 VanDerWaalsContact C-N 3.33Å; P821-D823 VanDerWaalsContact CB-O 3.25Å; P821-D823 WeakPolarHBondContact CB-O 3.43Å; D823-S825 WeakPolarHBondContact OD1-CB 3.36Å; D823-S825 PolarHBondContact OD1-N 3.08Å; D823-S825 PolarHBondContact OD1-OG 2.98Å; D823-K907 IonicContact OD1-NZ 3.52Å; D823-K907 IonicContact OD2-NZ 3.56Å; D823-K907 PolarHBondContact OD2-NZ 3.08Å
824	S	92.4	Very high	88.4	Confident	11 Å²	11	44.1 Å²	44.1	8%	0.077	25%	0.254	C	S	.	.	S	Bend	trans	-92.7	-5.3	-174.6	56.9	0	0	0	0	115.2	D826 F827 L828 K907	S824-D826 PolarHBondContact O-N 2.9Å; S824-F827 CarbonylContact O-C 3.55Å; S824-F827 WeakPolarHBondContact O-CA 3.45Å; S824-F827 WeakPolarHBondContact O-CB 3.43Å; S824-F827 PolarHBondContact O-N 3.46Å; S824-F827 VanDerWaalsContact O-N 3.09Å; S824-L828 WeakPolarHBondContact O-CG 3.37Å; S824-L828 PolarHBondContact O-N 2.66Å; S824-K907 VanDerWaalsContact OG-CD 3.26Å; S824-K907 WeakPolarHBondContact OG-CD 3.29Å
825	S	92.5	Very high	88.6	Confident	45 Å²	45	43.9 Å²	43.9	32%	0.315	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-50.3	-168.7	-49.6	0	0	0	0	113.5	D823 F827 L828 D829 K907	D823-S825 WeakPolarHBondContact OD1-CB 3.36Å; D823-S825 PolarHBondContact OD1-N 3.08Å; D823-S825 PolarHBondContact OD1-OG 2.98Å; S825-F827 PolarHBondContact O-N 2.88Å; S825-L828 PolarHBondContact O-N 3.18Å; S825-L828 VanDerWaalsContact O-N 3.08Å; S825-D829 PolarHBondContact O-N 3.49Å; S825-K907 PolarHBondContact OG-NZ 3.28Å
826	D	93.7	Very high	88.7	Confident	71 Å²	71	49.2 Å²	49.2	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-56.6	-35.5	175.3	-84.8	-34.5	0	0	0	112.5	A788 Y812 S824 F830	A788-D826 HydrophobicContact CB-CB 3.82Å; A788-D826 VanDerWaalsContact CB-CG 3.45Å; A788-D826 WeakPolarHBondContact CB-OD1 3.38Å; Y812-D826 HydrophobicContact CE2-CB 4.26Å; S824-D826 PolarHBondContact O-N 2.9Å; D826-F830 WeakPolarHBondContact O-CB 3.27Å; D826-F830 PolarHBondContact O-N 3.48Å; D826-F830 VanDerWaalsContact O-N 3.11Å
827	F	95.6	Very high	89.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-74.5	-37.2	177.5	168.6	-104.5	0	0	0	112.1	Y812 W815 S824 S825 F830 V831 V858 L859 M862 F900	Y812-F827 HydrophobicContact CE2-CB 4.36Å; W815-F827 AromaticContact CZ3-CD2 3.96Å; W815-F827 HydrophobicContact CZ3-CD2 3.96Å; W815-F827 AromaticContact CZ3-CE2 3.95Å; W815-F827 HydrophobicContact CZ3-CE2 3.95Å; S824-F827 CarbonylContact O-C 3.55Å; S824-F827 WeakPolarHBondContact O-CA 3.45Å; S824-F827 WeakPolarHBondContact O-CB 3.43Å; S824-F827 PolarHBondContact O-N 3.46Å; S824-F827 VanDerWaalsContact O-N 3.09Å; S825-F827 PolarHBondContact O-N 2.88Å; F827-F830 WeakPolarHBondContact O-CB 3.34Å; F827-F830 PolarHBondContact O-N 3.47Å; F827-V831 HydrophobicContact CD1-CG2 4.35Å; F827-V831 HydrophobicContact CD2-CG2 4.26Å; F827-V831 HydrophobicContact CE1-CG2 3.92Å; F827-V831 HydrophobicContact CE2-CG2 3.8Å; F827-V831 HydrophobicContact CZ-CG2 3.6Å; F827-V831 WeakPolarHBondContact O-CG2 3.49Å; F827-V831 PolarHBondContact O-N 2.79Å; F827-V858 HydrophobicContact CE1-CG1 4.1Å; F827-V858 HydrophobicContact CE2-CG1 4.26Å; F827-V858 HydrophobicContact CZ-CG1 3.64Å; F827-L859 HydrophobicContact CE2-CD1 4.44Å; F827-M862 HydrophobicContact CE1-CB 4.01Å; F827-M862 HydrophobicContact CE1-CG 3.79Å; F827-M862 HydrophobicContact CE1-SD 4.38Å; F827-M862 HydrophobicContact CZ-CB 3.94Å; F827-M862 HydrophobicContact CZ-CG 4.17Å; F827-F900 HydrophobicContact CB-CZ 4.15Å; F827-F900 AromaticContact CD1-CE1 3.62Å; F827-F900 HydrophobicContact CD1-CE1 3.62Å; F827-F900 AromaticContact CD1-CZ 3.84Å; F827-F900 HydrophobicContact CD1-CZ 3.84Å; F827-F900 AromaticContact CE1-CE1 3.91Å; F827-F900 HydrophobicContact CE1-CE1 3.91Å; F827-F900 HydrophobicContact CG-CE1 4.04Å; F827-F900 HydrophobicContact CG-CZ 4.08Å
828	L	95.6	Very high	90.4	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-43.8	176	-69.8	177.2	0	0	0	111.4	S824 S825 F830 V831 C832 M862 M866 A904 K907 V908 F913	S824-L828 WeakPolarHBondContact O-CG 3.37Å; S824-L828 PolarHBondContact O-N 2.66Å; S825-L828 PolarHBondContact O-N 3.18Å; S825-L828 VanDerWaalsContact O-N 3.08Å; L828-F830 VanDerWaalsContact C-N 3.3Å; L828-F830 PolarHBondContact O-N 3.34Å; L828-V831 WeakPolarHBondContact O-CB 3.32Å; L828-V831 PolarHBondContact O-N 3.34Å; L828-V831 VanDerWaalsContact O-N 3.15Å; L828-C832 PolarHBondContact O-N 3.35Å; L828-C832 PolarHBondContact O-SG 3.46Å; L828-C832 VanDerWaalsContact O-SG 3.42Å; L828-M862 HydrophobicContact CD2-CE 4.34Å; L828-M862 HydrophobicContact CD2-CG 4.12Å; L828-M862 HydrophobicContact CD2-SD 3.77Å; L828-M866 HydrophobicContact CD2-CE 3.91Å; L828-A904 HydrophobicContact CD2-CB 4.32Å; L828-K907 HydrophobicContact CD1-CD 4.16Å; L828-V908 HydrophobicContact CD1-CG2 3.77Å; L828-V908 HydrophobicContact CD2-CG2 3.41Å; L828-V908 VanDerWaalsContact CD2-CG2 3.41Å; L828-V908 HydrophobicContact CG-CG2 4.21Å; L828-F913 HydrophobicContact CD1-CE2 4.48Å
829	D	94.1	Very high	91.7	Very high	74 Å²	74	47.6 Å²	47.6	40%	0.396	27%	0.273	S	S	.	.	H	α-helix	trans	-56.7	-45.6	171.5	-86.8	3.6	0	0	0	111	Y789 S825 V831 C832 H833	Y789-D829 HydrophobicContact CE1-CB 4.15Å; S825-D829 PolarHBondContact O-N 3.49Å; D829-V831 PolarHBondContact O-N 3.02Å; D829-C832 WeakPolarHBondContact O-CB 3.26Å; D829-C832 PolarHBondContact O-N 2.92Å; D829-H833 PolarHBondContact O-CD2 2.89Å; D829-H833 PolarHBondContact O-N 2.97Å
830	F	96.3	Very high	92	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-44.1	174.6	178.5	-91.7	0	0	0	112.9	V747 L749 Y789 I810 Y812 D826 F827 L828 C832 H833 V834 L859	V747-F830 HydrophobicContact CG1-CE1 3.77Å; V747-F830 HydrophobicContact CG1-CZ 3.52Å; L749-F830 HydrophobicContact CD2-CD1 4.48Å; L749-F830 HydrophobicContact CD2-CE1 3.61Å; L749-F830 HydrophobicContact CD2-CZ 3.96Å; Y789-F830 HydrophobicContact CD1-CB 3.95Å; Y789-F830 HydrophobicContact CD1-CD2 4.11Å; Y789-F830 HydrophobicContact CE1-CB 4.39Å; Y789-F830 AromaticContact CG-CD2 4Å; Y789-F830 HydrophobicContact CG-CD2 4Å; I810-F830 HydrophobicContact CB-CE2 4.43Å; I810-F830 HydrophobicContact CG2-CD2 4.19Å; I810-F830 HydrophobicContact CG2-CE2 3.58Å; I810-F830 HydrophobicContact CG2-CZ 4.19Å; Y812-F830 HydrophobicContact CD2-CB 3.77Å; Y812-F830 HydrophobicContact CD2-CD1 4.23Å; Y812-F830 AromaticContact CD2-CD2 3.69Å; Y812-F830 HydrophobicContact CD2-CD2 3.69Å; Y812-F830 HydrophobicContact CD2-CE2 4.25Å; Y812-F830 AromaticContact CD2-CG 3.63Å; Y812-F830 HydrophobicContact CD2-CG 3.63Å; Y812-F830 HydrophobicContact CE2-CB 4.1Å; Y812-F830 HydrophobicContact CE2-CG 4.43Å; Y812-F830 HydrophobicContact CG-CD2 4.28Å; Y812-F830 HydrophobicContact CG-CE2 4.42Å; Y812-F830 HydrophobicContact CG-CG 4.33Å; D826-F830 WeakPolarHBondContact O-CB 3.27Å; D826-F830 PolarHBondContact O-N 3.48Å; D826-F830 VanDerWaalsContact O-N 3.11Å; F827-F830 WeakPolarHBondContact O-CB 3.34Å; F827-F830 PolarHBondContact O-N 3.47Å; L828-F830 VanDerWaalsContact C-N 3.3Å; L828-F830 PolarHBondContact O-N 3.34Å; F830-C832 VanDerWaalsContact C-N 3.33Å; F830-C832 PolarHBondContact O-N 3.04Å; F830-H833 PolarHBondContact O-N 2.87Å; F830-V834 HydrophobicContact CD1-CG2 4.26Å; F830-V834 HydrophobicContact CE1-CG2 3.88Å; F830-V834 HydrophobicContact CZ-CG2 4.21Å; F830-V834 WeakPolarHBondContact O-CG2 3.47Å; F830-V834 PolarHBondContact O-N 3.22Å; F830-L859 HydrophobicContact CD1-CD1 4.36Å; F830-L859 HydrophobicContact CE1-CD1 4.23Å; F830-L859 HydrophobicContact CE1-CD2 4.4Å
831	V	96.6	Very high	91.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-43.2	175.7	176.2	0	0	0	0	110.4	F827 L828 D829 H833 V834 R835 L859 M862 E863 M866	F827-V831 HydrophobicContact CD1-CG2 4.35Å; F827-V831 HydrophobicContact CD2-CG2 4.26Å; F827-V831 HydrophobicContact CE1-CG2 3.92Å; F827-V831 HydrophobicContact CE2-CG2 3.8Å; F827-V831 HydrophobicContact CZ-CG2 3.6Å; F827-V831 WeakPolarHBondContact O-CG2 3.49Å; F827-V831 PolarHBondContact O-N 2.79Å; L828-V831 WeakPolarHBondContact O-CB 3.32Å; L828-V831 PolarHBondContact O-N 3.34Å; L828-V831 VanDerWaalsContact O-N 3.15Å; D829-V831 PolarHBondContact O-N 3.02Å; V831-H833 PolarHBondContact O-N 2.83Å; V831-V834 PolarHBondContact O-N 2.9Å; V831-R835 HydrophobicContact CG1-CG 4.41Å; V831-R835 VanDerWaalsContact O-CG 3.27Å; V831-R835 WeakPolarHBondContact O-CG 3.29Å; V831-R835 PolarHBondContact O-N 2.82Å; V831-L859 HydrophobicContact CB-CD1 4.46Å; V831-L859 HydrophobicContact CG2-CD1 3.71Å; V831-M862 HydrophobicContact CB-CG 4.47Å; V831-M862 HydrophobicContact CG1-CG 4.1Å; V831-M862 HydrophobicContact CG2-CB 4.25Å; V831-M862 HydrophobicContact CG2-CG 3.88Å; V831-E863 HydrophobicContact CG1-CB 4.44Å; V831-M866 HydrophobicContact CB-CE 4.4Å; V831-M866 HydrophobicContact CG1-CE 3.99Å; V831-M866 HydrophobicContact CG1-SD 3.61Å
832	C	94.3	Very high	91.8	Very high	37 Å²	37	60.2 Å²	60.2	25%	0.25	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-41	174.8	-71.6	0	0	0	0	112.1	L828 D829 F830 R835 N836	L828-C832 PolarHBondContact O-N 3.35Å; L828-C832 PolarHBondContact O-SG 3.46Å; L828-C832 VanDerWaalsContact O-SG 3.42Å; D829-C832 WeakPolarHBondContact O-CB 3.26Å; D829-C832 PolarHBondContact O-N 2.92Å; F830-C832 VanDerWaalsContact C-N 3.33Å; F830-C832 PolarHBondContact O-N 3.04Å; C832-R835 PolarHBondContact O-N 2.82Å; C832-N836 VanDerWaalsContact O-CB 3.28Å; C832-N836 WeakPolarHBondContact O-CB 3.4Å; C832-N836 PolarHBondContact O-N 2.89Å; C832-N836 PolarHBondContact O-ND2 2.84Å
833	H	94.7	Very high	92.4	Very high	61 Å²	61	54.4 Å²	54.4	28%	0.282	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-41.5	174.1	-73	-62.3	0	0	0	112.9	Y789 F791 D829 F830 V831 K837	Y789-H833 AromaticContact CE2-CD2 3.88Å; Y789-H833 AromaticContact CE2-NE2 3.94Å; Y789-H833 AromaticContact CZ-CD2 3.72Å; Y789-H833 AromaticContact CZ-NE2 3.74Å; Y789-H833 PolarHBondContact OH-NE2 2.75Å; F791-H833 HydrophobicContact CE1-CB 3.92Å; F791-H833 HydrophobicContact CZ-CB 3.8Å; F791-H833 AromaticContact CZ-CD2 3.93Å; F791-H833 AromaticContact CZ-CG 3.6Å; F791-H833 AromaticContact CZ-ND1 3.89Å; D829-H833 PolarHBondContact O-CD2 2.89Å; D829-H833 PolarHBondContact O-N 2.97Å; F830-H833 PolarHBondContact O-N 2.87Å; V831-H833 PolarHBondContact O-N 2.83Å; H833-K837 VanDerWaalsContact O-CG 3.29Å; H833-K837 WeakPolarHBondContact O-CG 3.39Å; H833-K837 PolarHBondContact O-N 2.84Å; H833-K837 VanDerWaalsContact O-N 3.12Å
834	V	96	Very high	92.9	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-50.2	174.4	171.1	0	0	0	0	110.5	M745 V747 I810 F830 V831 N836 K837 R838	M745-V834 HydrophobicContact SD-CG1 4.16Å; V747-V834 HydrophobicContact CG1-CG2 4.02Å; V747-V834 HydrophobicContact CG2-CG1 4.22Å; V747-V834 HydrophobicContact CG2-CG2 4.11Å; I810-V834 HydrophobicContact CD1-CG2 4.22Å; F830-V834 HydrophobicContact CD1-CG2 4.26Å; F830-V834 HydrophobicContact CE1-CG2 3.88Å; F830-V834 HydrophobicContact CZ-CG2 4.21Å; F830-V834 WeakPolarHBondContact O-CG2 3.47Å; F830-V834 PolarHBondContact O-N 3.22Å; V831-V834 PolarHBondContact O-N 2.9Å; V834-N836 PolarHBondContact O-N 2.9Å; V834-K837 CarbonylContact O-C 3.45Å; V834-K837 PolarHBondContact O-N 2.98Å; V834-R838 PolarHBondContact O-N 3.45Å
835	R	94.1	Very high	93.1	Very high	34 Å²	34	50.6 Å²	50.6	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-47.2	178.3	-70.7	168.1	64.7	74.3	3.3	112.1	V831 C832 K837 R838 A839 E863 M866 C867 E870	V831-R835 HydrophobicContact CG1-CG 4.41Å; V831-R835 VanDerWaalsContact O-CG 3.27Å; V831-R835 WeakPolarHBondContact O-CG 3.29Å; V831-R835 PolarHBondContact O-N 2.82Å; C832-R835 PolarHBondContact O-N 2.82Å; R835-K837 PolarHBondContact O-N 3.45Å; R835-R838 PolarHBondContact O-N 3.25Å; R835-A839 PolarHBondContact O-N 3.24Å; R835-E863 HydrophobicContact CG-CG 3.82Å; R835-E863 WeakPolarHBondContact CG-OE1 3.38Å; R835-E863 PolarHBondContact NH1-O 3.03Å; R835-M866 WeakPolarHBondContact CD-SD 3.45Å; R835-C867 PolarHBondContact NH1-SG 3.02Å; R835-E870 IonicContact CZ-OE1 3.29Å; R835-E870 IonicContact CZ-OE2 3.11Å; R835-E870 IonicContact NH2-OE1 2.71Å; R835-E870 PolarHBondContact NH2-OE1 3.2Å; R835-E870 IonicContact NH2-OE2 3.67Å; R835-E870 PolarHBondContact NH2-OE2 2.83Å
836	N	93.1	Very high	93.4	Very high	119 Å²	119	48.5 Å²	48.5	64%	0.636	27%	0.273	S	S	*	.	H	α-helix	trans	-62.4	-24.5	176.9	-72.1	-22.8	0	0	0	113.4	C832 V834	C832-N836 VanDerWaalsContact O-CB 3.28Å; C832-N836 WeakPolarHBondContact O-CB 3.4Å; C832-N836 PolarHBondContact O-N 2.89Å; C832-N836 PolarHBondContact O-ND2 2.84Å; V834-N836 PolarHBondContact O-N 2.9Å
837	K	93.1	Very high	93.7	Very high	102 Å²	102	45.1 Å²	45.1	44%	0.443	26%	0.255	S	S	.	.	H	α-helix	trans	-92.1	-12.7	174.7	-65.3	-64.9	-178.2	-172.6	0	113.9	M745 I810 H833 V834 R835 K841	M745-K837 HydrophobicContact CE-CB 3.61Å; M745-K837 WeakPolarHBondContact CE-O 3.23Å; M745-K837 HydrophobicContact SD-CB 4.4Å; I810-K837 HydrophobicContact CD1-CB 4.26Å; I810-K837 HydrophobicContact CD1-CG 4.12Å; H833-K837 VanDerWaalsContact O-CG 3.29Å; H833-K837 WeakPolarHBondContact O-CG 3.39Å; H833-K837 PolarHBondContact O-N 2.84Å; H833-K837 VanDerWaalsContact O-N 3.12Å; V834-K837 CarbonylContact O-C 3.45Å; V834-K837 PolarHBondContact O-N 2.98Å; R835-K837 PolarHBondContact O-N 3.45Å; K837-K841 WeakPolarHBondContact O-CD 3.09Å; K837-K841 PolarHBondContact O-NZ 3.43Å; K837-K841 VanDerWaalsContact O-NZ 3.09Å
838	R	92.1	Very high	93.8	Very high	18 Å²	18	45.1 Å²	45.1	7%	0.068	26%	0.255	C	S	.	.	H	α-helix	trans	-88.5	-31.8	170.4	-172.3	-163.2	-66.7	-91.1	4.6	112.2	N718 Q719 M745 V834 R835 G840 K841 E863	N718-R838 WeakPolarHBondContact OD1-CD 3.36Å; Q719-R838 PolarHBondContact O-NH1 3.02Å; M745-R838 HydrophobicContact CE-CB 4.14Å; V834-R838 PolarHBondContact O-N 3.45Å; R835-R838 PolarHBondContact O-N 3.25Å; R838-G840 PolarHBondContact O-N 3.49Å; R838-K841 VanDerWaalsContact O-CB 3.23Å; R838-K841 WeakPolarHBondContact O-CB 3.41Å; R838-K841 PolarHBondContact O-N 2.94Å; R838-E863 IonicContact CZ-OE1 2.74Å; R838-E863 IonicContact CZ-OE2 3.63Å; R838-E863 IonicContact NE-OE1 2.64Å; R838-E863 PolarHBondContact NE-OE1 3.44Å; R838-E863 IonicContact NE-OE2 3.47Å; R838-E863 VanDerWaalsContact NH2-CD 3.34Å; R838-E863 IonicContact NH2-OE1 2.61Å; R838-E863 PolarHBondContact NH2-OE1 3.2Å; R838-E863 IonicContact NH2-OE2 2.61Å; R838-E863 PolarHBondContact NH2-OE2 2.85Å
839	A	88.3	Confident	93.8	Very high	79 Å²	79	45.4 Å²	45.4	65%	0.653	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	123.4	-175.3	0	0	0	0	0	112.9	R835	R835-A839 PolarHBondContact O-N 3.24Å
840	G	84.7	Confident	93.9	Very high	92 Å²	92	42.4 Å²	42.4	95%	0.948	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	14.5	-176.9	0	0	0	0	0	116	R838	R838-G840 PolarHBondContact O-N 3.49Å
841	K	87.3	Confident	93.9	Very high	80 Å²	80	42.8 Å²	42.8	35%	0.348	25%	0.245	S	C	.	.			trans	-123.3	143.9	178.8	-68.3	167.3	169.7	-176.9	0	112.4	S744 K837 R838 E843	S744-K841 WeakPolarHBondContact OG-CE 3.22Å; S744-K841 PolarHBondContact OG-NZ 3.3Å; K837-K841 WeakPolarHBondContact O-CD 3.09Å; K837-K841 PolarHBondContact O-NZ 3.43Å; K837-K841 VanDerWaalsContact O-NZ 3.09Å; R838-K841 VanDerWaalsContact O-CB 3.23Å; R838-K841 WeakPolarHBondContact O-CB 3.41Å; R838-K841 PolarHBondContact O-N 2.94Å; K841-E843 VanDerWaalsContact CB-OE2 3.32Å; K841-E843 WeakPolarHBondContact CB-OE2 3.35Å; K841-E843 VanDerWaalsContact CD-OE1 3.28Å; K841-E843 WeakPolarHBondContact CD-OE1 3.23Å
842	E	86.3	Confident	93.9	Very high	174 Å²	174	42.8 Å²	42.8	81%	0.813	25%	0.245	S	C	*	.			trans	-110.1	-12.6	177.6	-63.5	-177.1	173.4	0	0	112.5
843	E	93.1	Very high	94	Very high	57 Å²	57	41 Å²	41	27%	0.266	23%	0.233	S	C	.	.	S	Bend	trans	-67.4	145	179.4	70.3	-87.8	-163.6	0	0	113	S744 K841 V845	S744-E843 VanDerWaalsContact CB-OE1 3.24Å; S744-E843 WeakPolarHBondContact CB-OE1 2.97Å; S744-E843 PolarHBondContact OG-OE1 3.45Å; K841-E843 VanDerWaalsContact CB-OE2 3.32Å; K841-E843 WeakPolarHBondContact CB-OE2 3.35Å; K841-E843 VanDerWaalsContact CD-OE1 3.28Å; K841-E843 WeakPolarHBondContact CD-OE1 3.23Å; E843-V845 PolarHBondContact O-N 2.83Å
844	P	96.3	Very high	94.1	Very high	12 Å²	12	38.1 Å²	38.1	8%	0.078	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-65.6	131.6	-179.2	25.6	-34.7	0	0	0	111.8	Q719 I721 Q741 S743	Q719-P844 HydrophobicContact CB-CB 3.97Å; I721-P844 HydrophobicContact CD1-CB 3.85Å; I721-P844 HydrophobicContact CD1-CG 3.77Å; I721-P844 HydrophobicContact CG1-CB 4.02Å; I721-P844 HydrophobicContact CG1-CG 4.43Å; Q741-P844 HydrophobicContact CB-CG 4.19Å; S743-P844 WeakPolarHBondContact CB-O 3.41Å; S743-P844 PolarHBondContact OG-O 2.93Å
845	V	98.3	Very high	94.1	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.6	174.4	175.9	0	0	0	0	109.7	Q719 Y720 I721 M745 V747 E843 V847	Q719-V845 PolarHBondContact O-N 2.72Å; Y720-V845 CarbonylContact C-O 3.59Å; Y720-V845 VanDerWaalsContact CA-O 3.3Å; Y720-V845 WeakPolarHBondContact CA-O 3.37Å; I721-V845 PolarHBondContact N-O 2.84Å; M745-V845 HydrophobicContact CB-CG1 4.18Å; M745-V845 HydrophobicContact CB-CG2 4.32Å; M745-V845 HydrophobicContact CE-CG2 4.09Å; M745-V845 HydrophobicContact CG-CG1 4.3Å; M745-V845 HydrophobicContact SD-CG1 3.9Å; M745-V845 HydrophobicContact SD-CG2 4.37Å; V747-V845 HydrophobicContact CG2-CG1 3.68Å; E843-V845 PolarHBondContact O-N 2.83Å; V845-V847 HydrophobicContact CG1-CG2 3.98Å; V845-V847 PolarHBondContact O-N 2.86Å
846	V	98.8	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.4	174.4	178.6	0	0	0	0	108.6	I721 F734 M737 M745 V746 V747	I721-V846 HydrophobicContact CB-CG2 4.3Å; I721-V846 HydrophobicContact CD1-CG2 4.31Å; F734-V846 HydrophobicContact CE2-CG1 3.8Å; F734-V846 HydrophobicContact CZ-CG1 3.84Å; M737-V846 HydrophobicContact CE-CG1 3.76Å; M737-V846 HydrophobicContact CE-CG2 4.08Å; M745-V846 PolarHBondContact O-N 3.41Å; M745-V846 VanDerWaalsContact O-N 3.15Å; V746-V846 CarbonylContact C-O 3.55Å; V746-V846 WeakPolarHBondContact CA-O 3.33Å; V746-V846 HydrophobicContact CG1-CG1 4.39Å; V746-V846 HydrophobicContact CG2-CB 4.21Å; V747-V846 PolarHBondContact N-O 3.23Å
847	V	98.8	Very high	94.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.8	179.4	-170.9	0	0	0	0	110.4	Y720 I721 A722 C723 V747 L749 V845 T856 L859	Y720-V847 HydrophobicContact CD1-CG2 3.87Å; I721-V847 PolarHBondContact O-N 2.95Å; A722-V847 WeakPolarHBondContact CA-O 3.35Å; C723-V847 PolarHBondContact N-O 2.84Å; C723-V847 VanDerWaalsContact N-O 3.09Å; V747-V847 HydrophobicContact CB-CG1 4.32Å; V747-V847 HydrophobicContact CB-CG2 4.28Å; V747-V847 WeakPolarHBondContact O-CA 3.46Å; L749-V847 HydrophobicContact CD1-CG1 3.98Å; V845-V847 HydrophobicContact CG1-CG2 3.98Å; V845-V847 PolarHBondContact O-N 2.86Å; V847-T856 HydrophobicContact CB-CG2 4.15Å; V847-T856 HydrophobicContact CG1-CG2 3.8Å; V847-L859 HydrophobicContact CG1-CD2 3.82Å
848	H	98.6	Very high	94.8	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	158.9	175.5	78.2	96.5	0	0	0	113.6	C723 G725 V747 M748 L749 C760 Y763	C723-H848 WeakPolarHBondContact O-CA 3.33Å; C723-H848 WeakPolarHBondContact O-CB 3.43Å; G725-H848 WeakPolarHBondContact CA-ND1 3.17Å; V747-H848 PolarHBondContact O-N 2.87Å; M748-H848 WeakPolarHBondContact CB-NE2 3.31Å; M748-H848 WeakPolarHBondContact CG-CE1 3.48Å; M748-H848 WeakPolarHBondContact CG-NE2 3.48Å; M748-H848 VanDerWaalsContact SD-CE1 3.55Å; L749-H848 PolarHBondContact N-O 3.32Å; C760-H848 VanDerWaalsContact SG-CE1 3.57Å; Y763-H848 AromaticContact CE1-CE1 3.79Å; Y763-H848 AromaticContact CE1-NE2 3.46Å; Y763-H848 WeakPolarHBondContact CE1-NE2 3.43Å; Y763-H848 AromaticContact CZ-NE2 3.52Å; Y763-H848 PolarHBondContact OH-NE2 2.84Å
849	C	95.9	Very high	95.1	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.054	16%	0.163	C	C	.	.	S	Bend	trans	-124.3	-139.8	159.1	67.7	0	0	0	0	106.9	G725 L749 G852 R855 T856	G725-C849 VanDerWaalsContact CA-O 3.29Å; G725-C849 WeakPolarHBondContact CA-O 3.37Å; G725-C849 PolarHBondContact N-O 3.16Å; G725-C849 VanDerWaalsContact N-O 3.09Å; L749-C849 HydrophobicContact CB-CB 4.05Å; C849-G852 PolarHBondContact SG-N 3.13Å; C849-R855 HydrophobicContact CB-CB 4.1Å; C849-T856 PolarHBondContact N-OG1 3.35Å
850	S	95.6	Very high	95.6	Very high	11 Å²	11	22.3 Å²	22.3	8%	0.077	13%	0.132	C	C	.	.	S	Bend	trans	-70.9	-51.2	167.6	-165.8	0	0	0	0	112	R681 Y682 G725 K759	R681-S850 WeakPolarHBondContact CD-O 3.38Å; Y682-S850 PolarHBondContact OH-OG 2.99Å; G725-S850 PolarHBondContact N-O 3.37Å; K759-S850 WeakPolarHBondContact CA-OG 3.27Å; K759-S850 WeakPolarHBondContact O-CA 3.45Å; K759-S850 WeakPolarHBondContact O-CB 3.25Å; K759-S850 PolarHBondContact O-OG 2.57Å
851	A	95.6	Very high	96.2	Very high	7 Å²	7	18 Å²	18	6%	0.058	9%	0.087	C	C	.	.	S	Bend	trans	-100.6	-8.1	-176.1	0	0	0	0	0	114.3	Y682 I685 I853 R888	Y682-A851 HydrophobicContact CD2-CB 3.83Å; Y682-A851 HydrophobicContact CE2-CB 3.77Å; I685-A851 HydrophobicContact CG1-CB 4.5Å; I685-A851 HydrophobicContact CG2-CB 4.42Å; A851-I853 HydrophobicContact CB-CG1 3.94Å; A851-I853 PolarHBondContact O-N 2.87Å; A851-R888 PolarHBondContact O-NH2 2.97Å; A851-R888 VanDerWaalsContact O-NH2 3.09Å
852	G	96.5	Very high	96.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	71	24.4	-179.8	0	0	0	0	0	115.5	C723 C849 T856 R888	C723-G852 WeakPolarHBondContact O-CA 3.47Å; C849-G852 PolarHBondContact SG-N 3.13Å; G852-T856 WeakPolarHBondContact CA-OG1 3.36Å; G852-R888 PolarHBondContact O-NE 2.7Å
853	I	97.4	Very high	97.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	-139.8	-41.4	-174.5	55.8	163.7	0	0	0	115.1	I685 A851 G857 R888 A889 M890 M891 I892 Q893	I685-I853 HydrophobicContact CD1-CD1 3.8Å; I685-I853 HydrophobicContact CG1-CD1 4.37Å; I685-I853 HydrophobicContact CG2-CD1 3.74Å; I685-I853 HydrophobicContact CG2-CG1 4.2Å; I685-I853 HydrophobicContact CG2-CG2 4.33Å; A851-I853 HydrophobicContact CB-CG1 3.94Å; A851-I853 PolarHBondContact O-N 2.87Å; I853-G857 PolarHBondContact O-N 3Å; I853-G857 VanDerWaalsContact O-N 3.16Å; I853-R888 HydrophobicContact CG2-CG 4.02Å; I853-A889 VanDerWaalsContact CG2-O 3.31Å; I853-A889 WeakPolarHBondContact CG2-O 3.36Å; I853-M890 HydrophobicContact CD1-CB 3.62Å; I853-M890 HydrophobicContact CD1-CE 4.38Å; I853-M891 HydrophobicContact CB-SD 4.13Å; I853-M891 HydrophobicContact CG2-SD 3.93Å; I853-I892 PolarHBondContact O-N 3.14Å; I853-Q893 HydrophobicContact CD1-CG 3.66Å; I853-Q893 HydrophobicContact CG1-CG 3.87Å
854	G	95.5	Very high	97.4	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.01	2%	0.02	C	C	.	.	H	α-helix	trans	-71.7	-88	-176.5	0	0	0	0	0	112.8	T856 G857 V858	G854-T856 PolarHBondContact O-N 3.23Å; G854-G857 PolarHBondContact O-N 2.81Å; G854-V858 PolarHBondContact O-N 3.22Å
855	R	96.6	Very high	97.4	Very high	21 Å²	21	2.9 Å²	2.9	8%	0.079	2%	0.017	C	C	.	.	H	α-helix	trans	-54.5	-36.9	174.4	-55.9	177.2	179.5	149.1	-0.9	112.5	L749 T750 E754 W815 P816 C849 G857 V858 L859	L749-R855 HydrophobicContact CB-CB 3.94Å; L749-R855 HydrophobicContact CD1-CB 4.33Å; L749-R855 WeakPolarHBondContact CD1-O 3.16Å; L749-R855 WeakPolarHBondContact O-CD 3.48Å; L749-R855 PolarHBondContact O-NH1 2.84Å; T750-R855 PolarHBondContact OG1-NH1 2.91Å; E754-R855 IonicContact OE1-CZ 3.61Å; E754-R855 IonicContact OE1-NH1 3.83Å; E754-R855 PolarHBondContact OE1-NH1 2.77Å; E754-R855 IonicContact OE1-NH2 4Å; E754-R855 PolarHBondContact OE1-NH2 2.88Å; E754-R855 IonicContact OE2-CZ 2.77Å; E754-R855 IonicContact OE2-NH1 2.65Å; E754-R855 IonicContact OE2-NH2 2.88Å; E754-R855 PolarHBondContact OE2-NH2 2.86Å; E754-R855 VanDerWaalsContact OE2-NH2 3.11Å; W815-R855 HydrophobicContact CD2-CB 4.31Å; W815-R855 VanDerWaalsContact CD2-CD 3.44Å; W815-R855 HydrophobicContact CD2-CG 3.68Å; W815-R855 HydrophobicContact CE3-CB 4.13Å; W815-R855 HydrophobicContact CE3-CG 4.03Å; W815-R855 VanDerWaalsContact CG-CD 3.49Å; W815-R855 HydrophobicContact CG-CG 4.19Å; W815-R855 HydrophobicContact CH2-CB 4.11Å; W815-R855 HydrophobicContact CH2-CG 4.15Å; W815-R855 HydrophobicContact CZ2-CB 4.28Å; W815-R855 HydrophobicContact CZ2-CG 3.81Å; W815-R855 HydrophobicContact CZ3-CB 4.03Å; W815-R855 HydrophobicContact CZ3-CG 4.25Å; P816-R855 PolarHBondContact O-NH2 3.16Å; C849-R855 HydrophobicContact CB-CB 4.1Å; R855-G857 VanDerWaalsContact C-N 3.34Å; R855-G857 PolarHBondContact O-N 2.89Å; R855-V858 WeakPolarHBondContact O-CB 3.31Å; R855-V858 PolarHBondContact O-N 2.98Å; R855-V858 VanDerWaalsContact O-N 3.1Å; R855-L859 PolarHBondContact O-N 3.46Å; R855-L859 VanDerWaalsContact O-N 3.07Å
856	T	98.3	Very high	97.2	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-53.6	-45.4	172.4	-56.4	0	0	0	0	112.7	A722 V847 C849 G852 G854 L859 I860 M891	A722-T856 HydrophobicContact CB-CG2 3.98Å; V847-T856 HydrophobicContact CB-CG2 4.15Å; V847-T856 HydrophobicContact CG1-CG2 3.8Å; C849-T856 PolarHBondContact N-OG1 3.35Å; G852-T856 WeakPolarHBondContact CA-OG1 3.36Å; G854-T856 PolarHBondContact O-N 3.23Å; T856-L859 PolarHBondContact O-N 2.84Å; T856-I860 HydrophobicContact CG2-CD1 4.11Å; T856-I860 WeakPolarHBondContact O-CG1 3.46Å; T856-I860 PolarHBondContact O-N 3.39Å; T856-M891 HydrophobicContact CG2-CE 4.27Å
857	G	98.2	Very high	97	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-68.5	-34.1	176.3	0	0	0	0	0	113.2	I853 G854 R855 I860 T861 M891	I853-G857 PolarHBondContact O-N 3Å; I853-G857 VanDerWaalsContact O-N 3.16Å; G854-G857 PolarHBondContact O-N 2.81Å; R855-G857 VanDerWaalsContact C-N 3.34Å; R855-G857 PolarHBondContact O-N 2.89Å; G857-I860 PolarHBondContact O-N 3.41Å; G857-T861 WeakPolarHBondContact O-CB 3.35Å; G857-T861 PolarHBondContact O-N 3.38Å; G857-T861 PolarHBondContact O-OG1 2.84Å; G857-M891 VanDerWaalsContact CA-CE 3.45Å
858	V	98.4	Very high	96.7	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63.2	-44.5	175.8	172.1	0	0	0	0	111.5	W815 F827 G854 R855 T861 M862 I892 Q897 F900 V901	W815-V858 HydrophobicContact CH2-CB 3.88Å; W815-V858 HydrophobicContact CH2-CG1 3.67Å; W815-V858 HydrophobicContact CH2-CG2 4.27Å; W815-V858 HydrophobicContact CZ3-CG1 4.47Å; F827-V858 HydrophobicContact CE1-CG1 4.1Å; F827-V858 HydrophobicContact CE2-CG1 4.26Å; F827-V858 HydrophobicContact CZ-CG1 3.64Å; G854-V858 PolarHBondContact O-N 3.22Å; R855-V858 WeakPolarHBondContact O-CB 3.31Å; R855-V858 PolarHBondContact O-N 2.98Å; R855-V858 VanDerWaalsContact O-N 3.1Å; V858-T861 PolarHBondContact O-N 2.89Å; V858-M862 WeakPolarHBondContact O-CB 3.45Å; V858-M862 PolarHBondContact O-N 2.77Å; V858-I892 HydrophobicContact CG2-CD1 4Å; V858-I892 HydrophobicContact CG2-CG1 4.24Å; V858-Q897 HydrophobicContact CG2-CB 3.87Å; V858-Q897 HydrophobicContact CG2-CG 4.5Å; V858-Q897 WeakPolarHBondContact CG2-O 3.38Å; V858-F900 HydrophobicContact CG1-CD1 4Å; V858-F900 HydrophobicContact CG1-CE1 4.14Å; V858-V901 HydrophobicContact CG1-CB 3.87Å; V858-V901 HydrophobicContact CG1-CG2 3.95Å; V858-V901 HydrophobicContact CG2-CB 4.5Å
859	L	98.5	Very high	96.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-59.2	-50.9	175	178.3	64.9	0	0	0	111.5	V747 L749 F827 F830 V831 V847 R855 T856 T861 M862 E863	V747-L859 HydrophobicContact CB-CD2 4.31Å; V747-L859 HydrophobicContact CG1-CD2 3.62Å; L749-L859 HydrophobicContact CD1-CB 3.8Å; L749-L859 HydrophobicContact CD1-CD2 4Å; L749-L859 HydrophobicContact CD2-CD2 4.42Å; F827-L859 HydrophobicContact CE2-CD1 4.44Å; F830-L859 HydrophobicContact CD1-CD1 4.36Å; F830-L859 HydrophobicContact CE1-CD1 4.23Å; F830-L859 HydrophobicContact CE1-CD2 4.4Å; V831-L859 HydrophobicContact CB-CD1 4.46Å; V831-L859 HydrophobicContact CG2-CD1 3.71Å; V847-L859 HydrophobicContact CG1-CD2 3.82Å; R855-L859 PolarHBondContact O-N 3.46Å; R855-L859 VanDerWaalsContact O-N 3.07Å; T856-L859 PolarHBondContact O-N 2.84Å; L859-T861 VanDerWaalsContact C-N 3.35Å; L859-T861 PolarHBondContact O-N 2.82Å; L859-M862 PolarHBondContact O-N 2.91Å; L859-E863 WeakPolarHBondContact O-CB 3.35Å; L859-E863 PolarHBondContact O-N 3.22Å
860	I	98.5	Very high	96.2	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.8	-39	-176.9	-62.6	174.3	0	0	0	111.1	I707 M709 Y720 T856 G857 T864 M884 M891	I707-I860 HydrophobicContact CD1-CD1 4.27Å; M709-I860 HydrophobicContact CG-CG2 3.86Å; M709-I860 HydrophobicContact SD-CG2 4.45Å; Y720-I860 HydrophobicContact CD1-CD1 3.97Å; Y720-I860 HydrophobicContact CD1-CG1 3.71Å; Y720-I860 HydrophobicContact CD2-CG2 4.15Å; Y720-I860 HydrophobicContact CE1-CB 4.3Å; Y720-I860 HydrophobicContact CE1-CD1 4.39Å; Y720-I860 HydrophobicContact CE1-CG1 3.64Å; Y720-I860 HydrophobicContact CE1-CG2 4.25Å; Y720-I860 HydrophobicContact CE2-CG2 3.76Å; Y720-I860 HydrophobicContact CG-CD1 4.01Å; Y720-I860 HydrophobicContact CG-CG1 4.15Å; T856-I860 HydrophobicContact CG2-CD1 4.11Å; T856-I860 WeakPolarHBondContact O-CG1 3.46Å; T856-I860 PolarHBondContact O-N 3.39Å; G857-I860 PolarHBondContact O-N 3.41Å; I860-T864 VanDerWaalsContact O-CB 3.26Å; I860-T864 WeakPolarHBondContact O-CB 3.45Å; I860-T864 PolarHBondContact O-N 3.43Å; I860-T864 PolarHBondContact O-OG1 2.82Å; I860-M884 HydrophobicContact CB-SD 3.62Å; I860-M884 HydrophobicContact CG2-CG 4.14Å; I860-M884 HydrophobicContact CG2-SD 3.42Å; I860-M884 WeakPolarHBondContact CG2-SD 3.42Å; I860-M891 HydrophobicContact CD1-CE 3.98Å
861	T	98.5	Very high	95.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63.7	-43.4	173.7	-69.9	0	0	0	0	111.9	G857 V858 L859 A865 P877 I880 M884 V901 I905	G857-T861 WeakPolarHBondContact O-CB 3.35Å; G857-T861 PolarHBondContact O-N 3.38Å; G857-T861 PolarHBondContact O-OG1 2.84Å; V858-T861 PolarHBondContact O-N 2.89Å; L859-T861 VanDerWaalsContact C-N 3.35Å; L859-T861 PolarHBondContact O-N 2.82Å; T861-A865 VanDerWaalsContact O-CB 3.25Å; T861-A865 WeakPolarHBondContact O-CB 3.46Å; T861-A865 PolarHBondContact O-N 2.94Å; T861-P877 HydrophobicContact CG2-CB 4.47Å; T861-I880 HydrophobicContact CG2-CG2 4.09Å; T861-M884 WeakPolarHBondContact OG1-CE 3.36Å; T861-V901 HydrophobicContact CG2-CB 4.48Å; T861-V901 HydrophobicContact CG2-CG1 3.84Å; T861-V901 HydrophobicContact CG2-CG2 3.76Å; T861-I905 HydrophobicContact CG2-CD1 4.12Å
862	M	98.1	Very high	95.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.9	-46.6	178.9	-168	67.8	-107.2	0	0	111.8	F827 L828 V831 V858 L859 T864 A865 M866 V901 A904 I905 V908	F827-M862 HydrophobicContact CE1-CB 4.01Å; F827-M862 HydrophobicContact CE1-CG 3.79Å; F827-M862 HydrophobicContact CE1-SD 4.38Å; F827-M862 HydrophobicContact CZ-CB 3.94Å; F827-M862 HydrophobicContact CZ-CG 4.17Å; L828-M862 HydrophobicContact CD2-CE 4.34Å; L828-M862 HydrophobicContact CD2-CG 4.12Å; L828-M862 HydrophobicContact CD2-SD 3.77Å; V831-M862 HydrophobicContact CB-CG 4.47Å; V831-M862 HydrophobicContact CG1-CG 4.1Å; V831-M862 HydrophobicContact CG2-CB 4.25Å; V831-M862 HydrophobicContact CG2-CG 3.88Å; V858-M862 WeakPolarHBondContact O-CB 3.45Å; V858-M862 PolarHBondContact O-N 2.77Å; L859-M862 PolarHBondContact O-N 2.91Å; M862-T864 VanDerWaalsContact C-N 3.34Å; M862-T864 PolarHBondContact O-N 3.01Å; M862-A865 HydrophobicContact CE-CB 4.43Å; M862-A865 PolarHBondContact O-N 2.97Å; M862-M866 HydrophobicContact CE-CE 4.1Å; M862-M866 HydrophobicContact CE-CG 3.8Å; M862-M866 HydrophobicContact CG-CE 4.46Å; M862-M866 WeakPolarHBondContact O-CG 3.46Å; M862-M866 PolarHBondContact O-N 3.1Å; M862-V901 HydrophobicContact CB-CG2 4.04Å; M862-V901 HydrophobicContact SD-CG2 4.37Å; M862-A904 HydrophobicContact SD-CB 3.85Å; M862-I905 HydrophobicContact CE-CB 4.44Å; M862-I905 HydrophobicContact CE-CG1 3.61Å; M862-I905 HydrophobicContact SD-CG1 3.92Å; M862-V908 HydrophobicContact CE-CB 4.26Å; M862-V908 HydrophobicContact CE-CG1 4.5Å; M862-V908 HydrophobicContact CE-CG2 3.84Å
863	E	96.1	Very high	95.3	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-64.2	-38.3	178.8	-176.9	167.6	-156.8	0	0	111.8	Y720 V831 R835 R838 L859 C867	Y720-E863 VanDerWaalsContact CE1-OE2 3.29Å; Y720-E863 WeakPolarHBondContact CE1-OE2 3.24Å; Y720-E863 WeakPolarHBondContact OH-CG 3.37Å; Y720-E863 PolarHBondContact OH-OE2 2.79Å; V831-E863 HydrophobicContact CG1-CB 4.44Å; R835-E863 HydrophobicContact CG-CG 3.82Å; R835-E863 WeakPolarHBondContact CG-OE1 3.38Å; R835-E863 PolarHBondContact NH1-O 3.03Å; R838-E863 IonicContact CZ-OE1 2.74Å; R838-E863 IonicContact CZ-OE2 3.63Å; R838-E863 IonicContact NE-OE1 2.64Å; R838-E863 PolarHBondContact NE-OE1 3.44Å; R838-E863 IonicContact NE-OE2 3.47Å; R838-E863 VanDerWaalsContact NH2-CD 3.34Å; R838-E863 IonicContact NH2-OE1 2.61Å; R838-E863 PolarHBondContact NH2-OE1 3.2Å; R838-E863 IonicContact NH2-OE2 2.61Å; R838-E863 PolarHBondContact NH2-OE2 2.85Å; L859-E863 WeakPolarHBondContact O-CB 3.35Å; L859-E863 PolarHBondContact O-N 3.22Å; E863-C867 PolarHBondContact O-N 2.94Å
864	T	96.4	Very high	95	Very high	4 Å²	4	10.9 Å²	10.9	3%	0.025	6%	0.059	C	C	.	.	H	α-helix	trans	-66.2	-45.3	173.5	-55.6	0	0	0	0	111.6	M709 I711 I860 M862 M866 C867 L868 I880	M709-T864 HydrophobicContact CB-CG2 4.36Å; M709-T864 HydrophobicContact CE-CG2 3.93Å; I711-T864 HydrophobicContact CD1-CG2 3.8Å; I860-T864 VanDerWaalsContact O-CB 3.26Å; I860-T864 WeakPolarHBondContact O-CB 3.45Å; I860-T864 PolarHBondContact O-N 3.43Å; I860-T864 PolarHBondContact O-OG1 2.82Å; M862-T864 VanDerWaalsContact C-N 3.34Å; M862-T864 PolarHBondContact O-N 3.01Å; T864-M866 PolarHBondContact O-N 2.82Å; T864-C867 PolarHBondContact O-N 2.92Å; T864-L868 HydrophobicContact CG2-CD1 4.39Å; T864-L868 PolarHBondContact O-N 3.28Å; T864-L868 VanDerWaalsContact O-N 3.08Å; T864-I880 HydrophobicContact CG2-CD1 4.17Å; T864-I880 HydrophobicContact CG2-CG1 4.27Å; T864-I880 HydrophobicContact CG2-CG2 4.08Å
865	A	96.6	Very high	94.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.3	-37.7	-179.7	0	0	0	0	0	112.8	T861 M862 L868 I869 V875 I880 I905	T861-A865 VanDerWaalsContact O-CB 3.25Å; T861-A865 WeakPolarHBondContact O-CB 3.46Å; T861-A865 PolarHBondContact O-N 2.94Å; M862-A865 HydrophobicContact CE-CB 4.43Å; M862-A865 PolarHBondContact O-N 2.97Å; A865-L868 PolarHBondContact O-N 3.27Å; A865-I869 WeakPolarHBondContact O-CG1 3.25Å; A865-I869 PolarHBondContact O-N 2.76Å; A865-V875 HydrophobicContact CB-CG1 3.8Å; A865-I880 HydrophobicContact CB-CD1 4.29Å; A865-I905 HydrophobicContact CB-CD1 3.46Å; A865-I905 VanDerWaalsContact CB-CD1 3.46Å; A865-I905 HydrophobicContact CB-CG1 3.61Å; A865-I905 HydrophobicContact CB-CG2 4.43Å
866	M	95.3	Very high	94.8	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-45.4	172.3	-73.9	-177.7	168.8	0	0	111.9	L828 V831 R835 M862 T864 L868 I869 E870 V908 V914	L828-M866 HydrophobicContact CD2-CE 3.91Å; V831-M866 HydrophobicContact CB-CE 4.4Å; V831-M866 HydrophobicContact CG1-CE 3.99Å; V831-M866 HydrophobicContact CG1-SD 3.61Å; R835-M866 WeakPolarHBondContact CD-SD 3.45Å; M862-M866 HydrophobicContact CE-CE 4.1Å; M862-M866 HydrophobicContact CE-CG 3.8Å; M862-M866 HydrophobicContact CG-CE 4.46Å; M862-M866 WeakPolarHBondContact O-CG 3.46Å; M862-M866 PolarHBondContact O-N 3.1Å; T864-M866 PolarHBondContact O-N 2.82Å; M866-L868 VanDerWaalsContact C-N 3.34Å; M866-L868 PolarHBondContact O-N 2.89Å; M866-I869 PolarHBondContact O-N 3.4Å; M866-E870 WeakPolarHBondContact O-CG 3.36Å; M866-E870 PolarHBondContact O-N 2.98Å; M866-V908 HydrophobicContact CE-CG1 4.32Å; M866-V908 HydrophobicContact CE-CG2 3.76Å; M866-V908 HydrophobicContact CG-CG1 4.26Å; M866-V914 HydrophobicContact CB-CG2 4.4Å; M866-V914 HydrophobicContact CE-CG2 4.31Å; M866-V914 HydrophobicContact CG-CG2 4.03Å; M866-V914 HydrophobicContact SD-CG2 4.15Å
867	C	93.4	Very high	94.7	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-63	-36.8	176.4	-77.2	0	0	0	0	113.4	I711 R835 E863 T864 E870 C871	I711-C867 HydrophobicContact CB-CB 4.49Å; I711-C867 HydrophobicContact CD1-CB 3.61Å; I711-C867 HydrophobicContact CG1-CB 3.72Å; I711-C867 HydrophobicContact CG2-CB 3.97Å; R835-C867 PolarHBondContact NH1-SG 3.02Å; E863-C867 PolarHBondContact O-N 2.94Å; T864-C867 PolarHBondContact O-N 2.92Å; C867-E870 WeakPolarHBondContact CA-OE2 3.46Å; C867-E870 PolarHBondContact O-N 2.99Å; C867-C871 PolarHBondContact O-N 3.25Å; C867-C871 PolarHBondContact O-SG 2.85Å
868	L	93.2	Very high	94.5	Very high	15 Å²	15	16 Å²	16	8%	0.079	8%	0.082	C	C	.	.	H	α-helix	trans	-64.1	-41.3	174.6	-68.8	169.8	0	0	0	111.6	I711 T864 A865 M866 C871 N872 Q873 V875 I880	I711-L868 HydrophobicContact CG2-CD2 4.37Å; T864-L868 HydrophobicContact CG2-CD1 4.39Å; T864-L868 PolarHBondContact O-N 3.28Å; T864-L868 VanDerWaalsContact O-N 3.08Å; A865-L868 PolarHBondContact O-N 3.27Å; M866-L868 VanDerWaalsContact C-N 3.34Å; M866-L868 PolarHBondContact O-N 2.89Å; L868-C871 CarbonylContact O-C 3.59Å; L868-C871 PolarHBondContact O-N 3.21Å; L868-N872 PolarHBondContact O-N 2.87Å; L868-Q873 HydrophobicContact CB-CB 4.27Å; L868-Q873 HydrophobicContact CD2-CB 3.82Å; L868-Q873 HydrophobicContact CD2-CG 4.42Å; L868-Q873 PolarHBondContact O-N 3.2Å; L868-V875 HydrophobicContact CB-CG2 3.77Å; L868-V875 HydrophobicContact CD1-CG1 4.49Å; L868-V875 HydrophobicContact CD1-CG2 4.39Å; L868-I880 HydrophobicContact CD1-CD1 3.83Å; L868-I880 HydrophobicContact CD1-CG1 4.38Å
869	I	93	Very high	94.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-43.4	174.7	-66.1	165.4	0	0	0	111.1	L636 M640 A865 M866 C871 N872 V875 V908 V914 P916	L636-I869 HydrophobicContact CD1-CG1 4.12Å; L636-I869 HydrophobicContact CD2-CG2 4.33Å; M640-I869 HydrophobicContact CE-CD1 3.73Å; M640-I869 HydrophobicContact CE-CG1 3.72Å; A865-I869 WeakPolarHBondContact O-CG1 3.25Å; A865-I869 PolarHBondContact O-N 2.76Å; M866-I869 PolarHBondContact O-N 3.4Å; I869-C871 VanDerWaalsContact C-N 3.31Å; I869-C871 PolarHBondContact O-N 3.43Å; I869-N872 PolarHBondContact O-N 2.83Å; I869-N872 VanDerWaalsContact O-N 3.16Å; I869-V875 HydrophobicContact CG1-CG2 3.94Å; I869-V908 HydrophobicContact CD1-CG1 3.99Å; I869-V914 HydrophobicContact CB-CG1 4.32Å; I869-V914 HydrophobicContact CG2-CB 4.38Å; I869-V914 HydrophobicContact CG2-CG1 4.05Å; I869-P916 WeakPolarHBondContact O-CA 3.41Å
870	E	91.6	Very high	94.3	Very high	49 Å²	49	18.3 Å²	18.3	23%	0.229	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-38.6	176.6	-70.2	165.3	162.3	0	0	112.4	R835 M866 C867 N872 V914 P916 L917	R835-E870 IonicContact CZ-OE1 3.29Å; R835-E870 IonicContact CZ-OE2 3.11Å; R835-E870 IonicContact NH2-OE1 2.71Å; R835-E870 PolarHBondContact NH2-OE1 3.2Å; R835-E870 IonicContact NH2-OE2 3.67Å; R835-E870 PolarHBondContact NH2-OE2 2.83Å; M866-E870 WeakPolarHBondContact O-CG 3.36Å; M866-E870 PolarHBondContact O-N 2.98Å; C867-E870 WeakPolarHBondContact CA-OE2 3.46Å; C867-E870 PolarHBondContact O-N 2.99Å; E870-N872 VanDerWaalsContact C-N 3.26Å; E870-N872 PolarHBondContact O-N 2.86Å; E870-V914 HydrophobicContact CG-CG1 3.36Å; E870-P916 WeakPolarHBondContact O-CA 3.12Å; E870-L917 HydrophobicContact CB-CD1 4.33Å; E870-L917 HydrophobicContact CB-CG 4.22Å; E870-L917 PolarHBondContact O-N 2.85Å
871	C	89.1	Confident	94.2	Very high	32 Å²	32	18.3 Å²	18.3	22%	0.216	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	10.9	178.2	-63.3	0	0	0	0	114	I711 C867 L868 I869 Q873	I711-C871 HydrophobicContact CG2-CB 4.43Å; C867-C871 PolarHBondContact O-N 3.25Å; C867-C871 PolarHBondContact O-SG 2.85Å; L868-C871 CarbonylContact O-C 3.59Å; L868-C871 PolarHBondContact O-N 3.21Å; I869-C871 VanDerWaalsContact C-N 3.31Å; I869-C871 PolarHBondContact O-N 3.43Å; C871-Q873 HydrophobicContact CB-CG 3.8Å; C871-Q873 WeakPolarHBondContact O-CG 3.5Å; C871-Q873 PolarHBondContact O-N 2.93Å; C871-Q873 VanDerWaalsContact O-N 3.15Å; C871-Q873 PolarHBondContact O-NE2 3.03Å
872	N	88.9	Confident	94.1	Very high	30 Å²	30	22.4 Å²	22.4	16%	0.16	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	27.5	-173.9	-146.6	9.4	0	0	0	114.2	D633 L636 L868 I869 E870 P916	D633-N872 PolarHBondContact OD1-ND2 2.85Å; L636-N872 WeakPolarHBondContact CD2-OD1 3.4Å; L868-N872 PolarHBondContact O-N 2.87Å; I869-N872 PolarHBondContact O-N 2.83Å; I869-N872 VanDerWaalsContact O-N 3.16Å; E870-N872 VanDerWaalsContact C-N 3.26Å; E870-N872 PolarHBondContact O-N 2.86Å; N872-P916 HydrophobicContact CB-CB 4.02Å; N872-P916 HydrophobicContact CB-CG 4.35Å
873	Q	89.6	Confident	94.1	Very high	31 Å²	31	25.1 Å²	25.1	15%	0.145	13%	0.126	C	C	.	.			trans	-91.2	146.7	-177	-61.7	-54.4	-67.4	0	0	111.5	L636 P712 S713 L868 C871	L636-Q873 WeakPolarHBondContact CD1-O 3.29Å; P712-Q873 HydrophobicContact CB-CG 4.49Å; S713-Q873 PolarHBondContact OG-NE2 2.94Å; S713-Q873 PolarHBondContact OG-OE1 3.16Å; L868-Q873 HydrophobicContact CB-CB 4.27Å; L868-Q873 HydrophobicContact CD2-CB 3.82Å; L868-Q873 HydrophobicContact CD2-CG 4.42Å; L868-Q873 PolarHBondContact O-N 3.2Å; C871-Q873 HydrophobicContact CB-CG 3.8Å; C871-Q873 WeakPolarHBondContact O-CG 3.5Å; C871-Q873 PolarHBondContact O-N 2.93Å; C871-Q873 VanDerWaalsContact O-N 3.15Å; C871-Q873 PolarHBondContact O-NE2 3.03Å
874	P	90.8	Very high	94.2	Very high	37 Å²	37	25 Å²	25	24%	0.24	13%	0.126	C	C	.	.			trans	-64.3	136.4	176.7	27.6	-35.2	0	0	0	112.2	S639 Y876	S639-P874 WeakPolarHBondContact OG-CA 3.27Å; P874-Y876 HydrophobicContact CB-CD2 4.49Å; P874-Y876 HydrophobicContact CB-CE2 3.72Å; P874-Y876 HydrophobicContact CG-CE2 4.06Å
875	V	93.9	Very high	94.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.			trans	-103.6	115	-176.9	-174.2	0	0	0	0	110.5	L636 S639 M640 A865 L868 I869 P877 I880 I905	L636-V875 HydrophobicContact CD1-CG2 4.03Å; S639-V875 PolarHBondContact OG-N 2.85Å; M640-V875 HydrophobicContact CE-CB 3.72Å; M640-V875 HydrophobicContact CE-CG1 4.4Å; M640-V875 HydrophobicContact CE-CG2 3.49Å; M640-V875 VanDerWaalsContact CE-CG2 3.49Å; A865-V875 HydrophobicContact CB-CG1 3.8Å; L868-V875 HydrophobicContact CB-CG2 3.77Å; L868-V875 HydrophobicContact CD1-CG1 4.49Å; L868-V875 HydrophobicContact CD1-CG2 4.39Å; I869-V875 HydrophobicContact CG1-CG2 3.94Å; V875-P877 HydrophobicContact CG1-CG 4.4Å; V875-I880 HydrophobicContact CG1-CD1 4.21Å; V875-I905 HydrophobicContact CG1-CD1 4.48Å; V875-I905 HydrophobicContact CG1-CG2 4.02Å
876	Y	95.4	Very high	94.3	Very high	89 Å²	89	26.6 Å²	26.6	35%	0.349	13%	0.134	S	C	.	.			trans	-119.9	94.4	174.5	-57.9	-62.8	0	0	0	110.1	P874 L878 D879 I880	P874-Y876 HydrophobicContact CB-CD2 4.49Å; P874-Y876 HydrophobicContact CB-CE2 3.72Å; P874-Y876 HydrophobicContact CG-CE2 4.06Å; Y876-L878 PolarHBondContact O-N 3.31Å; Y876-L878 VanDerWaalsContact O-N 3.07Å; Y876-D879 WeakPolarHBondContact CB-OD2 3.48Å; Y876-D879 PolarHBondContact O-N 3.05Å; Y876-I880 PolarHBondContact O-N 3.32Å
877	P	95.4	Very high	94.5	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.045	14%	0.141	C	C	.	.	H	α-helix	trans	-58.2	-27.2	-174.4	-27.9	37.1	0	0	0	114.1	L643 T861 V875 I880 V881 Y898 I905	L643-P877 HydrophobicContact CD1-CG 3.89Å; L643-P877 HydrophobicContact CD2-CG 4.01Å; T861-P877 HydrophobicContact CG2-CB 4.47Å; V875-P877 HydrophobicContact CG1-CG 4.4Å; P877-I880 PolarHBondContact O-N 3.47Å; P877-V881 VanDerWaalsContact O-CG2 3.3Å; P877-V881 WeakPolarHBondContact O-CG2 3.27Å; P877-V881 PolarHBondContact O-N 3.32Å; P877-Y898 HydrophobicContact CB-CE2 3.96Å; P877-I905 HydrophobicContact CB-CD1 4.35Å; P877-I905 HydrophobicContact CG-CD1 3.83Å
878	L	94.1	Very high	94.7	Very high	34 Å²	34	28 Å²	28	18%	0.178	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-42.4	177.1	-168.2	75.8	0	0	0	111.8	Q655 F656 L659 Y876 V881 R882 Y898	Q655-L878 HydrophobicContact CB-CD1 4.01Å; Q655-L878 HydrophobicContact CB-CD2 3.79Å; Q655-L878 HydrophobicContact CG-CD2 4.44Å; F656-L878 HydrophobicContact CB-CD1 4.28Å; L659-L878 HydrophobicContact CB-CD1 4.26Å; L659-L878 HydrophobicContact CD2-CD1 4.09Å; Y876-L878 PolarHBondContact O-N 3.31Å; Y876-L878 VanDerWaalsContact O-N 3.07Å; L878-V881 PolarHBondContact O-N 3Å; L878-R882 WeakPolarHBondContact O-CB 3.41Å; L878-R882 PolarHBondContact O-N 3.22Å; L878-Y898 VanDerWaalsContact CA-OH 3.26Å; L878-Y898 WeakPolarHBondContact CA-OH 2.95Å; L878-Y898 WeakPolarHBondContact CB-OH 3.33Å; L878-Y898 PolarHBondContact N-OH 3.46Å
879	D	94	Very high	94.8	Very high	36 Å²	36	27.3 Å²	27.3	19%	0.193	14%	0.136	C	C	.	.	H	α-helix	trans	-68.9	-39.4	177.7	-63.5	-67.7	0	0	0	110.7	Y876 V881 R882 T883	Y876-D879 WeakPolarHBondContact CB-OD2 3.48Å; Y876-D879 PolarHBondContact O-N 3.05Å; D879-V881 PolarHBondContact O-N 3.4Å; D879-R882 WeakPolarHBondContact O-CB 3.38Å; D879-R882 PolarHBondContact O-N 3.49Å; D879-R882 VanDerWaalsContact O-N 3.16Å; D879-R882 IonicContact OD1-CZ 2.84Å; D879-R882 IonicContact OD1-NH1 3.71Å; D879-R882 PolarHBondContact OD1-NH1 2.93Å; D879-R882 IonicContact OD1-NH2 3.65Å; D879-R882 PolarHBondContact OD1-NH2 3.47Å; D879-T883 PolarHBondContact O-N 3.26Å; D879-T883 PolarHBondContact O-OG1 2.94Å
880	I	97.6	Very high	94.9	Very high	11 Å²	11	28 Å²	28	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-47.4	172.1	-60.4	174	0	0	0	110.4	M709 T861 T864 A865 L868 V875 Y876 P877 R882 T883 M884	M709-I880 HydrophobicContact CE-CG2 3.81Å; T861-I880 HydrophobicContact CG2-CG2 4.09Å; T864-I880 HydrophobicContact CG2-CD1 4.17Å; T864-I880 HydrophobicContact CG2-CG1 4.27Å; T864-I880 HydrophobicContact CG2-CG2 4.08Å; A865-I880 HydrophobicContact CB-CD1 4.29Å; L868-I880 HydrophobicContact CD1-CD1 3.83Å; L868-I880 HydrophobicContact CD1-CG1 4.38Å; V875-I880 HydrophobicContact CG1-CD1 4.21Å; Y876-I880 PolarHBondContact O-N 3.32Å; P877-I880 PolarHBondContact O-N 3.47Å; I880-R882 PolarHBondContact O-N 3.08Å; I880-T883 PolarHBondContact O-N 3.11Å; I880-M884 WeakPolarHBondContact O-CG 3.5Å; I880-M884 PolarHBondContact O-N 3.17Å
881	V	97.5	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.7	-34.6	176.4	175.6	0	0	0	0	111.9	F656 L659 P877 L878 D879 M884 R885 I892 Y898	F656-V881 HydrophobicContact CE2-CG1 4.32Å; L659-V881 HydrophobicContact CD2-CB 4.17Å; L659-V881 HydrophobicContact CD2-CG1 3.73Å; P877-V881 VanDerWaalsContact O-CG2 3.3Å; P877-V881 WeakPolarHBondContact O-CG2 3.27Å; P877-V881 PolarHBondContact O-N 3.32Å; L878-V881 PolarHBondContact O-N 3Å; D879-V881 PolarHBondContact O-N 3.4Å; V881-M884 HydrophobicContact CB-CE 4.36Å; V881-M884 HydrophobicContact CG2-CE 3.9Å; V881-M884 PolarHBondContact O-N 3Å; V881-R885 HydrophobicContact CG1-CG 4.17Å; V881-R885 WeakPolarHBondContact O-CB 3.4Å; V881-R885 VanDerWaalsContact O-CG 3.31Å; V881-R885 WeakPolarHBondContact O-CG 3.27Å; V881-R885 PolarHBondContact O-N 2.83Å; V881-I892 HydrophobicContact CG2-CD1 3.7Å; V881-I892 HydrophobicContact CG2-CG1 4.27Å; V881-Y898 HydrophobicContact CG2-CD2 4.04Å; V881-Y898 HydrophobicContact CG2-CE2 3.86Å
882	R	96.6	Very high	95.6	Very high	87 Å²	87	24.1 Å²	24.1	33%	0.328	12%	0.118	S	C	.	.	H	α-helix	trans	-61.8	-50.5	173.3	-172.4	177.9	65.7	-119	-11.5	111.3	L659 Y660 L878 D879 I880 M884 R885 D886	L659-R882 HydrophobicContact CD1-CB 4.01Å; L659-R882 HydrophobicContact CD1-CG 4Å; L659-R882 HydrophobicContact CD2-CB 4.42Å; Y660-R882 HydrophobicContact CE1-CG 4.45Å; Y660-R882 WeakPolarHBondContact OH-CG 3.47Å; L878-R882 WeakPolarHBondContact O-CB 3.41Å; L878-R882 PolarHBondContact O-N 3.22Å; D879-R882 WeakPolarHBondContact O-CB 3.38Å; D879-R882 PolarHBondContact O-N 3.49Å; D879-R882 VanDerWaalsContact O-N 3.16Å; D879-R882 IonicContact OD1-CZ 2.84Å; D879-R882 IonicContact OD1-NH1 3.71Å; D879-R882 PolarHBondContact OD1-NH1 2.93Å; D879-R882 IonicContact OD1-NH2 3.65Å; D879-R882 PolarHBondContact OD1-NH2 3.47Å; I880-R882 PolarHBondContact O-N 3.08Å; R882-M884 VanDerWaalsContact C-N 3.27Å; R882-M884 PolarHBondContact O-N 3.13Å; R882-R885 PolarHBondContact O-N 2.7Å; R882-D886 PolarHBondContact O-N 2.78Å
883	T	97.6	Very high	95.5	Very high	57 Å²	57	25.5 Å²	25.5	35%	0.35	12%	0.124	S	C	.	.	H	α-helix	trans	-59.7	-35.3	178	-61.1	0	0	0	0	112.4	M709 D879 I880 Q887	M709-T883 HydrophobicContact CE-CG2 4.02Å; M709-T883 HydrophobicContact SD-CG2 4.03Å; D879-T883 PolarHBondContact O-N 3.26Å; D879-T883 PolarHBondContact O-OG1 2.94Å; I880-T883 PolarHBondContact O-N 3.11Å; T883-Q887 PolarHBondContact O-NE2 3.44Å
884	M	98.3	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.8	-43.9	169.4	-69.5	-165.4	-63.6	0	0	113	I707 M709 I860 T861 I880 V881 R882 D886 Q887 R888 M891 I892	I707-M884 HydrophobicContact CG2-CG 4.07Å; M709-M884 HydrophobicContact CE-CG 4.27Å; M709-M884 HydrophobicContact SD-CG 3.79Å; I860-M884 HydrophobicContact CB-SD 3.62Å; I860-M884 HydrophobicContact CG2-CG 4.14Å; I860-M884 HydrophobicContact CG2-SD 3.42Å; I860-M884 WeakPolarHBondContact CG2-SD 3.42Å; T861-M884 WeakPolarHBondContact OG1-CE 3.36Å; I880-M884 WeakPolarHBondContact O-CG 3.5Å; I880-M884 PolarHBondContact O-N 3.17Å; V881-M884 HydrophobicContact CB-CE 4.36Å; V881-M884 HydrophobicContact CG2-CE 3.9Å; V881-M884 PolarHBondContact O-N 3Å; R882-M884 VanDerWaalsContact C-N 3.27Å; R882-M884 PolarHBondContact O-N 3.13Å; M884-D886 PolarHBondContact O-N 2.94Å; M884-Q887 PolarHBondContact O-N 2.82Å; M884-R888 PolarHBondContact O-N 3.21Å; M884-M891 HydrophobicContact CB-CB 3.78Å; M884-M891 HydrophobicContact CB-CE 4.37Å; M884-M891 HydrophobicContact CB-CG 3.97Å; M884-M891 HydrophobicContact CE-CB 4.25Å; M884-M891 HydrophobicContact CE-CE 4.37Å; M884-M891 HydrophobicContact CG-CE 4.47Å; M884-M891 HydrophobicContact SD-CE 3.53Å; M884-M891 VanDerWaalsContact SD-CE 3.53Å; M884-I892 HydrophobicContact CE-CD1 4.49Å; M884-I892 HydrophobicContact CE-CG1 4.33Å
885	R	98.1	Very high	95.7	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-67.7	-20.2	-178.2	-77.6	-168.9	-175.5	171.1	5.9	113.9	L659 Y660 Y688 V881 R882 Q887 R888 M891 I892	L659-R885 PolarHBondContact O-NH1 3.48Å; Y660-R885 HydrophobicContact CE2-CB 4.4Å; Y660-R885 WeakPolarHBondContact O-CD 3.43Å; Y660-R885 PolarHBondContact O-NH1 3.03Å; Y688-R885 VanDerWaalsContact CE2-O 3.27Å; Y688-R885 WeakPolarHBondContact CE2-O 3.36Å; Y688-R885 PolarHBondContact OH-O 3.11Å; V881-R885 HydrophobicContact CG1-CG 4.17Å; V881-R885 WeakPolarHBondContact O-CB 3.4Å; V881-R885 VanDerWaalsContact O-CG 3.31Å; V881-R885 WeakPolarHBondContact O-CG 3.27Å; V881-R885 PolarHBondContact O-N 2.83Å; R882-R885 PolarHBondContact O-N 2.7Å; R885-Q887 VanDerWaalsContact C-N 3.34Å; R885-R888 VanDerWaalsContact CA-O 3.3Å; R885-R888 WeakPolarHBondContact CA-O 3.28Å; R885-M891 HydrophobicContact CG-CB 3.95Å; R885-M891 PolarHBondContact NE-O 2.67Å; R885-M891 PolarHBondContact NH2-O 3.42Å; R885-I892 PolarHBondContact NH2-O 3.19Å
886	D	97.5	Very high	95.7	Very high	36 Å²	36	29.2 Å²	29.2	19%	0.193	15%	0.151	C	C	.	.	H	α-helix	trans	-72.8	-26.1	169.5	-87.3	4.7	0	0	0	113.6	Y660 K663 Y688 R882 M884	Y660-D886 WeakPolarHBondContact CE2-OD1 3.39Å; Y660-D886 PolarHBondContact OH-OD1 2.91Å; K663-D886 HydrophobicContact CD-CB 4.1Å; K663-D886 WeakPolarHBondContact CD-OD1 3.17Å; K663-D886 WeakPolarHBondContact CE-OD1 3.44Å; K663-D886 WeakPolarHBondContact CE-OD2 3.46Å; K663-D886 VanDerWaalsContact CG-OD1 3.29Å; K663-D886 WeakPolarHBondContact CG-OD1 3.12Å; K663-D886 IonicContact NZ-OD1 3.93Å; K663-D886 IonicContact NZ-OD2 2.69Å; K663-D886 PolarHBondContact NZ-OD2 3.48Å; Y688-D886 WeakPolarHBondContact CE2-O 3.44Å; R882-D886 PolarHBondContact O-N 2.78Å; M884-D886 PolarHBondContact O-N 2.94Å
887	Q	98.3	Very high	95.6	Very high	34 Å²	34	25.8 Å²	25.8	16%	0.159	14%	0.138	C	C	.	.	H	α-helix	trans	-103.8	-29.3	-175.6	-64	179	82.2	0	0	112.6	Y688 T691 N705 I707 N708 T883 M884 R885	Y688-Q887 WeakPolarHBondContact CD2-O 3.35Å; T691-Q887 PolarHBondContact OG1-O 3.33Å; N705-Q887 WeakPolarHBondContact CB-O 3.44Å; I707-Q887 HydrophobicContact CG1-CB 4.13Å; N708-Q887 PolarHBondContact O-NE2 3.08Å; T883-Q887 PolarHBondContact O-NE2 3.44Å; M884-Q887 PolarHBondContact O-N 2.82Å; R885-Q887 VanDerWaalsContact C-N 3.34Å
888	R	98.1	Very high	95.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	14%	0.136	C	C	.	.	S	Bend	trans	-143.4	133.3	170.2	-175.9	164.7	173.6	80.7	-3.4	110.9	N703 N705 I707 A722 A851 G852 I853 M884 R885 M891	N703-R888 PolarHBondContact OD1-NH1 2.85Å; N703-R888 VanDerWaalsContact OD1-NH1 3.12Å; N703-R888 PolarHBondContact OD1-NH2 2.91Å; N705-R888 HydrophobicContact CB-CB 3.94Å; N705-R888 HydrophobicContact CB-CG 4.2Å; N705-R888 WeakPolarHBondContact OD1-CG 3.38Å; N705-R888 PolarHBondContact OD1-NH1 2.8Å; I707-R888 HydrophobicContact CD1-CB 3.91Å; I707-R888 HydrophobicContact CG1-CB 4.28Å; A722-R888 WeakPolarHBondContact O-CD 3.2Å; A722-R888 PolarHBondContact O-NE 2.78Å; A851-R888 PolarHBondContact O-NH2 2.97Å; A851-R888 VanDerWaalsContact O-NH2 3.09Å; G852-R888 PolarHBondContact O-NE 2.7Å; I853-R888 HydrophobicContact CG2-CG 4.02Å; M884-R888 PolarHBondContact O-N 3.21Å; R885-R888 VanDerWaalsContact CA-O 3.3Å; R885-R888 WeakPolarHBondContact CA-O 3.28Å; R888-M891 HydrophobicContact CB-CG 3.89Å; R888-M891 HydrophobicContact CB-SD 4.09Å; R888-M891 HydrophobicContact CG-CG 4.31Å; R888-M891 HydrophobicContact CG-SD 4.1Å; R888-M891 VanDerWaalsContact O-CG 3.26Å; R888-M891 WeakPolarHBondContact O-CG 3.4Å
889	A	95	Very high	95.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	144.3	179.4	0	0	0	0	0	113	K662 Y688 I853 M891	K662-A889 HydrophobicContact CG-CB 3.75Å; Y688-A889 HydrophobicContact CD1-CB 4.49Å; Y688-A889 HydrophobicContact CE1-CB 3.77Å; Y688-A889 WeakPolarHBondContact OH-CA 3.31Å; I853-A889 VanDerWaalsContact CG2-O 3.31Å; I853-A889 WeakPolarHBondContact CG2-O 3.36Å; A889-M891 PolarHBondContact O-N 2.95Å; A889-M891 VanDerWaalsContact O-N 3.14Å
890	M	95	Very high	96	Very high	13 Å²	13	27.8 Å²	27.8	6%	0.064	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	23.5	166.6	-58.6	171.2	-66.6	0	0	116.1	R661 I685 I853 I892	R661-M890 HydrophobicContact CB-CG 4.02Å; R661-M890 WeakPolarHBondContact O-CA 3.42Å; R661-M890 WeakPolarHBondContact O-CG 3.23Å; R661-M890 PolarHBondContact O-N 3.18Å; I685-M890 HydrophobicContact CB-CE 4.44Å; I685-M890 HydrophobicContact CD1-CE 3.41Å; I685-M890 VanDerWaalsContact CD1-CE 3.41Å; I685-M890 HydrophobicContact CD1-SD 4.09Å; I685-M890 HydrophobicContact CG1-CE 4.48Å; I685-M890 HydrophobicContact CG2-CE 4.34Å; I853-M890 HydrophobicContact CD1-CB 3.62Å; I853-M890 HydrophobicContact CD1-CE 4.38Å; M890-I892 CarbonylContact O-C 3.49Å; M890-I892 PolarHBondContact O-N 2.93Å
891	M	98.1	Very high	96	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-54.4	127.4	170.7	-69.4	-65.7	-65.2	0	0	110.7	I707 I853 T856 G857 I860 M884 R885 R888 A889	I707-M891 HydrophobicContact CD1-CE 3.49Å; I707-M891 VanDerWaalsContact CD1-CE 3.49Å; I707-M891 HydrophobicContact CD1-CG 4.13Å; I707-M891 HydrophobicContact CD1-SD 3.79Å; I853-M891 HydrophobicContact CB-SD 4.13Å; I853-M891 HydrophobicContact CG2-SD 3.93Å; T856-M891 HydrophobicContact CG2-CE 4.27Å; G857-M891 VanDerWaalsContact CA-CE 3.45Å; I860-M891 HydrophobicContact CD1-CE 3.98Å; M884-M891 HydrophobicContact CB-CB 3.78Å; M884-M891 HydrophobicContact CB-CE 4.37Å; M884-M891 HydrophobicContact CB-CG 3.97Å; M884-M891 HydrophobicContact CE-CB 4.25Å; M884-M891 HydrophobicContact CE-CE 4.37Å; M884-M891 HydrophobicContact CG-CE 4.47Å; M884-M891 HydrophobicContact SD-CE 3.53Å; M884-M891 VanDerWaalsContact SD-CE 3.53Å; R885-M891 HydrophobicContact CG-CB 3.95Å; R885-M891 PolarHBondContact NE-O 2.67Å; R885-M891 PolarHBondContact NH2-O 3.42Å; R888-M891 HydrophobicContact CB-CG 3.89Å; R888-M891 HydrophobicContact CB-SD 4.09Å; R888-M891 HydrophobicContact CG-CG 4.31Å; R888-M891 HydrophobicContact CG-SD 4.1Å; R888-M891 VanDerWaalsContact O-CG 3.26Å; R888-M891 WeakPolarHBondContact O-CG 3.4Å; A889-M891 PolarHBondContact O-N 2.95Å; A889-M891 VanDerWaalsContact O-N 3.14Å
892	I	96.9	Very high	96	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	53.2	112.5	-157.5	-52.9	-170.2	0	0	0	112	F656 I853 V858 V881 M884 R885 M890 Q897 Y898 V901	F656-I892 HydrophobicContact CE2-CB 3.94Å; F656-I892 HydrophobicContact CE2-CG2 3.72Å; F656-I892 HydrophobicContact CZ-CB 4.28Å; F656-I892 HydrophobicContact CZ-CG2 3.79Å; F656-I892 WeakPolarHBondContact CZ-O 3.39Å; I853-I892 PolarHBondContact O-N 3.14Å; V858-I892 HydrophobicContact CG2-CD1 4Å; V858-I892 HydrophobicContact CG2-CG1 4.24Å; V881-I892 HydrophobicContact CG2-CD1 3.7Å; V881-I892 HydrophobicContact CG2-CG1 4.27Å; M884-I892 HydrophobicContact CE-CD1 4.49Å; M884-I892 HydrophobicContact CE-CG1 4.33Å; R885-I892 PolarHBondContact NH2-O 3.19Å; M890-I892 CarbonylContact O-C 3.49Å; M890-I892 PolarHBondContact O-N 2.93Å; I892-Q897 HydrophobicContact CG2-CB 3.71Å; I892-Y898 HydrophobicContact CD1-CD2 4.3Å; I892-V901 HydrophobicContact CD1-CG1 4.02Å
893	Q	87.8	Confident	96	Very high	60 Å²	60	26.7 Å²	26.7	28%	0.28	14%	0.138	S	C	.	.			trans	-84.7	-34.5	-168.3	-78.4	-179.5	-31.4	0	0	114.3	R661 I853 Q897	R661-Q893 PolarHBondContact NH1-O 2.99Å; R661-Q893 PolarHBondContact NH2-O 3.1Å; I853-Q893 HydrophobicContact CD1-CG 3.66Å; I853-Q893 HydrophobicContact CG1-CG 3.87Å; Q893-Q897 VanDerWaalsContact N-OE1 3.17Å
894	T	91.3	Very high	96	Very high	47 Å²	47	24 Å²	24	29%	0.288	12%	0.122	S	C	.	.	S	Bend	trans	-132.6	151.8	-164.4	59.3	0	0	0	0	112	S896 Q897 Y898	T894-S896 VanDerWaalsContact C-N 3.26Å; T894-S896 PolarHBondContact O-N 2.83Å; T894-S896 PolarHBondContact OG1-OG 3.31Å; T894-Q897 PolarHBondContact O-N 2.85Å; T894-Q897 VanDerWaalsContact OG1-CD 3.3Å; T894-Q897 VanDerWaalsContact OG1-CG 3.29Å; T894-Q897 WeakPolarHBondContact OG1-CG 3.35Å; T894-Q897 PolarHBondContact OG1-N 2.92Å; T894-Q897 PolarHBondContact OG1-OE1 3.49Å; T894-Y898 PolarHBondContact O-N 2.8Å
895	P	92.2	Very high	96	Very high	47 Å²	47	24 Å²	24	31%	0.305	12%	0.122	S	C	.	.	H	α-helix	trans	-58.8	-33.7	175.6	-27.7	37.2	0	0	0	113.6	L653 F656 D657 Y898 R899	L653-P895 HydrophobicContact CD2-CB 4.07Å; L653-P895 WeakPolarHBondContact CD2-O 3.44Å; F656-P895 HydrophobicContact CD1-CG 4.36Å; F656-P895 HydrophobicContact CE1-CG 4.25Å; D657-P895 WeakPolarHBondContact OD1-CG 3.29Å; P895-Y898 PolarHBondContact O-N 2.66Å; P895-R899 WeakPolarHBondContact O-CB 3.46Å; P895-R899 PolarHBondContact O-N 3.16Å
896	S	94.1	Very high	95.8	Very high	51 Å²	51	24.8 Å²	24.8	36%	0.357	13%	0.126	S	C	.	.	H	α-helix	trans	-65.5	-41.7	177.9	50.4	0	0	0	0	112.9	T894 Y898 R899 F900	T894-S896 VanDerWaalsContact C-N 3.26Å; T894-S896 PolarHBondContact O-N 2.83Å; T894-S896 PolarHBondContact OG1-OG 3.31Å; S896-Y898 VanDerWaalsContact C-N 3.3Å; S896-Y898 PolarHBondContact O-N 2.85Å; S896-R899 PolarHBondContact O-N 3.4Å; S896-F900 WeakPolarHBondContact O-CB 3.48Å; S896-F900 PolarHBondContact O-N 3.05Å
897	Q	95.1	Very high	95.7	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.084	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-37.5	173.3	-73.5	167.6	-6.5	0	0	112.1	V820 V858 I892 Q893 T894 V901	V820-Q897 HydrophobicContact CG1-CG 4.11Å; V858-Q897 HydrophobicContact CG2-CB 3.87Å; V858-Q897 HydrophobicContact CG2-CG 4.5Å; V858-Q897 WeakPolarHBondContact CG2-O 3.38Å; I892-Q897 HydrophobicContact CG2-CB 3.71Å; Q893-Q897 VanDerWaalsContact N-OE1 3.17Å; T894-Q897 PolarHBondContact O-N 2.85Å; T894-Q897 VanDerWaalsContact OG1-CD 3.3Å; T894-Q897 VanDerWaalsContact OG1-CG 3.29Å; T894-Q897 WeakPolarHBondContact OG1-CG 3.35Å; T894-Q897 PolarHBondContact OG1-N 2.92Å; T894-Q897 PolarHBondContact OG1-OE1 3.49Å; Q897-V901 PolarHBondContact O-N 2.7Å
898	Y	97.4	Very high	95.5	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-72.8	-40.2	176.9	-174.2	-116.1	0	0	0	112.5	V652 L653 F656 P877 L878 V881 I892 T894 P895 S896 V901 C902	V652-Y898 HydrophobicContact CG1-CD1 4.08Å; V652-Y898 HydrophobicContact CG1-CE1 3.34Å; V652-Y898 WeakPolarHBondContact O-CE1 2.83Å; L653-Y898 HydrophobicContact CD2-CD1 4.26Å; F656-Y898 HydrophobicContact CB-CD1 3.37Å; F656-Y898 HydrophobicContact CB-CE1 3.48Å; F656-Y898 VanDerWaalsContact CB-CE1 3.48Å; F656-Y898 HydrophobicContact CB-CG 4.04Å; F656-Y898 HydrophobicContact CD1-CD1 4.35Å; F656-Y898 HydrophobicContact CD1-CG 4.45Å; F656-Y898 AromaticContact CD2-CD1 3.6Å; F656-Y898 HydrophobicContact CD2-CD1 3.6Å; F656-Y898 AromaticContact CD2-CD2 3.58Å; F656-Y898 HydrophobicContact CD2-CD2 3.58Å; F656-Y898 HydrophobicContact CD2-CE1 4.1Å; F656-Y898 HydrophobicContact CD2-CE2 4.1Å; F656-Y898 AromaticContact CD2-CG 3.31Å; F656-Y898 HydrophobicContact CD2-CG 3.31Å; F656-Y898 HydrophobicContact CE2-CD1 4.46Å; F656-Y898 AromaticContact CE2-CD2 3.98Å; F656-Y898 HydrophobicContact CE2-CD2 3.98Å; F656-Y898 AromaticContact CE2-CG 3.78Å; F656-Y898 HydrophobicContact CE2-CG 3.78Å; F656-Y898 AromaticContact CG-CD1 3.52Å; F656-Y898 HydrophobicContact CG-CD1 3.52Å; F656-Y898 HydrophobicContact CG-CD2 4.37Å; F656-Y898 HydrophobicContact CG-CE1 4.07Å; F656-Y898 AromaticContact CG-CG 3.69Å; F656-Y898 HydrophobicContact CG-CG 3.69Å; P877-Y898 HydrophobicContact CB-CE2 3.96Å; L878-Y898 VanDerWaalsContact CA-OH 3.26Å; L878-Y898 WeakPolarHBondContact CA-OH 2.95Å; L878-Y898 WeakPolarHBondContact CB-OH 3.33Å; L878-Y898 PolarHBondContact N-OH 3.46Å; V881-Y898 HydrophobicContact CG2-CD2 4.04Å; V881-Y898 HydrophobicContact CG2-CE2 3.86Å; I892-Y898 HydrophobicContact CD1-CD2 4.3Å; T894-Y898 PolarHBondContact O-N 2.8Å; P895-Y898 PolarHBondContact O-N 2.66Å; S896-Y898 VanDerWaalsContact C-N 3.3Å; S896-Y898 PolarHBondContact O-N 2.85Å; Y898-V901 HydrophobicContact CD2-CG1 4.32Å; Y898-V901 WeakPolarHBondContact O-CG1 3.48Å; Y898-V901 PolarHBondContact O-N 2.91Å; Y898-C902 WeakPolarHBondContact O-CB 3.39Å; Y898-C902 PolarHBondContact O-N 2.78Å; Y898-C902 VanDerWaalsContact O-N 3.11Å; Y898-C902 PolarHBondContact O-SG 3.48Å
899	R	95.9	Very high	95.3	Very high	104 Å²	104	26.3 Å²	26.3	39%	0.392	13%	0.129	S	C	.	.	H	α-helix	trans	-56.3	-52.6	173.6	-160.2	-166.1	160.1	105.9	13.5	110.9	L647 L653 P895 S896 V901 C902 E903	L647-R899 HydrophobicContact CD2-CG 3.79Å; L653-R899 HydrophobicContact CD1-CG 4.43Å; L653-R899 HydrophobicContact CD2-CB 3.81Å; L653-R899 HydrophobicContact CD2-CG 4.24Å; P895-R899 WeakPolarHBondContact O-CB 3.46Å; P895-R899 PolarHBondContact O-N 3.16Å; S896-R899 PolarHBondContact O-N 3.4Å; R899-V901 PolarHBondContact O-N 3.23Å; R899-C902 WeakPolarHBondContact O-CB 3.16Å; R899-C902 PolarHBondContact O-N 2.82Å; R899-C902 VanDerWaalsContact O-N 3.14Å; R899-E903 WeakPolarHBondContact CG-OE2 3.12Å; R899-E903 IonicContact CZ-OE1 3.16Å; R899-E903 VanDerWaalsContact NE-CD 3.31Å; R899-E903 IonicContact NE-OE1 3.62Å; R899-E903 PolarHBondContact NE-OE1 3.22Å; R899-E903 IonicContact NE-OE2 2.76Å; R899-E903 PolarHBondContact NE-OE2 3.22Å; R899-E903 IonicContact NH2-OE1 3.27Å; R899-E903 PolarHBondContact NH2-OE1 3.41Å; R899-E903 WeakPolarHBondContact O-CG 3.5Å; R899-E903 PolarHBondContact O-N 2.87Å
900	F	97.3	Very high	95.1	Very high	12 Å²	12	33 Å²	33	5%	0.053	16%	0.16	C	C	.	.	H	α-helix	trans	-56.8	-44.2	-179.5	173	-94.3	0	0	0	112.9	W815 V820 P821 F827 V858 S896 E903 A904	W815-F900 HydrophobicContact CH2-CE1 4.24Å; V820-F900 HydrophobicContact CB-CB 3.92Å; V820-F900 HydrophobicContact CB-CD2 3.83Å; V820-F900 HydrophobicContact CB-CG 3.85Å; V820-F900 HydrophobicContact CG1-CB 3.74Å; V820-F900 HydrophobicContact CG1-CG 4.05Å; V820-F900 HydrophobicContact CG2-CB 4.05Å; V820-F900 HydrophobicContact CG2-CD2 4.06Å; V820-F900 HydrophobicContact CG2-CG 4.29Å; P821-F900 HydrophobicContact CB-CE2 3.95Å; P821-F900 HydrophobicContact CB-CZ 4.18Å; P821-F900 HydrophobicContact CG-CE2 4.15Å; P821-F900 HydrophobicContact CG-CZ 3.95Å; P821-F900 WeakPolarHBondContact O-CE2 3.4Å; F827-F900 HydrophobicContact CB-CZ 4.15Å; F827-F900 AromaticContact CD1-CE1 3.62Å; F827-F900 HydrophobicContact CD1-CE1 3.62Å; F827-F900 AromaticContact CD1-CZ 3.84Å; F827-F900 HydrophobicContact CD1-CZ 3.84Å; F827-F900 AromaticContact CE1-CE1 3.91Å; F827-F900 HydrophobicContact CE1-CE1 3.91Å; F827-F900 HydrophobicContact CG-CE1 4.04Å; F827-F900 HydrophobicContact CG-CZ 4.08Å; V858-F900 HydrophobicContact CG1-CD1 4Å; V858-F900 HydrophobicContact CG1-CE1 4.14Å; S896-F900 WeakPolarHBondContact O-CB 3.48Å; S896-F900 PolarHBondContact O-N 3.05Å; F900-E903 PolarHBondContact O-N 3.2Å; F900-A904 VanDerWaalsContact O-CB 3.3Å; F900-A904 WeakPolarHBondContact O-CB 3.33Å; F900-A904 PolarHBondContact O-N 3.31Å
901	V	98	Very high	94.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.4	-35.6	178.7	77.4	0	0	0	0	112.2	V858 T861 M862 I892 Q897 Y898 R899 A904 I905	V858-V901 HydrophobicContact CG1-CB 3.87Å; V858-V901 HydrophobicContact CG1-CG2 3.95Å; V858-V901 HydrophobicContact CG2-CB 4.5Å; T861-V901 HydrophobicContact CG2-CB 4.48Å; T861-V901 HydrophobicContact CG2-CG1 3.84Å; T861-V901 HydrophobicContact CG2-CG2 3.76Å; M862-V901 HydrophobicContact CB-CG2 4.04Å; M862-V901 HydrophobicContact SD-CG2 4.37Å; I892-V901 HydrophobicContact CD1-CG1 4.02Å; Q897-V901 PolarHBondContact O-N 2.7Å; Y898-V901 HydrophobicContact CD2-CG1 4.32Å; Y898-V901 WeakPolarHBondContact O-CG1 3.48Å; Y898-V901 PolarHBondContact O-N 2.91Å; R899-V901 PolarHBondContact O-N 3.23Å; V901-A904 PolarHBondContact O-N 2.84Å; V901-I905 HydrophobicContact CG2-CD1 4.3Å; V901-I905 WeakPolarHBondContact O-CB 3.12Å; V901-I905 WeakPolarHBondContact O-CD1 3.1Å; V901-I905 WeakPolarHBondContact O-CG1 3.34Å; V901-I905 PolarHBondContact O-N 3.16Å
902	C	97.7	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-40.9	173.1	-69.7	0	0	0	0	112.2	L643 L647 V652 Y898 R899 I905 L906	L643-C902 HydrophobicContact CD1-CB 3.86Å; L647-C902 HydrophobicContact CD1-CB 3.81Å; L647-C902 HydrophobicContact CD2-CB 3.98Å; L647-C902 HydrophobicContact CG-CB 4.13Å; V652-C902 HydrophobicContact CG1-CB 4.41Å; Y898-C902 WeakPolarHBondContact O-CB 3.39Å; Y898-C902 PolarHBondContact O-N 2.78Å; Y898-C902 VanDerWaalsContact O-N 3.11Å; Y898-C902 PolarHBondContact O-SG 3.48Å; R899-C902 WeakPolarHBondContact O-CB 3.16Å; R899-C902 PolarHBondContact O-N 2.82Å; R899-C902 VanDerWaalsContact O-N 3.14Å; C902-I905 PolarHBondContact O-N 3Å; C902-L906 PolarHBondContact O-N 3.47Å
903	E	96.6	Very high	93.3	Very high	76 Å²	76	43.6 Å²	43.6	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-69.3	-38.4	176.7	-70.9	170	144.3	0	0	111.5	L647 R899 F900 L906 K907	L647-E903 HydrophobicContact CD1-CG 3.68Å; L647-E903 HydrophobicContact CD2-CG 3.97Å; L647-E903 HydrophobicContact CG-CG 4.45Å; R899-E903 WeakPolarHBondContact CG-OE2 3.12Å; R899-E903 IonicContact CZ-OE1 3.16Å; R899-E903 VanDerWaalsContact NE-CD 3.31Å; R899-E903 IonicContact NE-OE1 3.62Å; R899-E903 PolarHBondContact NE-OE1 3.22Å; R899-E903 IonicContact NE-OE2 2.76Å; R899-E903 PolarHBondContact NE-OE2 3.22Å; R899-E903 IonicContact NH2-OE1 3.27Å; R899-E903 PolarHBondContact NH2-OE1 3.41Å; R899-E903 WeakPolarHBondContact O-CG 3.5Å; R899-E903 PolarHBondContact O-N 2.87Å; F900-E903 PolarHBondContact O-N 3.2Å; E903-L906 PolarHBondContact O-N 3.15Å; E903-K907 PolarHBondContact O-N 3.01Å
904	A	97.1	Very high	93.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-35.6	173.2	0	0	0	0	0	113	L828 M862 F900 V901 K907 V908	L828-A904 HydrophobicContact CD2-CB 4.32Å; M862-A904 HydrophobicContact SD-CB 3.85Å; F900-A904 VanDerWaalsContact O-CB 3.3Å; F900-A904 WeakPolarHBondContact O-CB 3.33Å; F900-A904 PolarHBondContact O-N 3.31Å; V901-A904 PolarHBondContact O-N 2.84Å; A904-K907 PolarHBondContact O-N 3.29Å; A904-V908 WeakPolarHBondContact O-CG2 3.28Å; A904-V908 PolarHBondContact O-N 3.38Å
905	I	97.7	Very high	92.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-42.1	174.6	-73.9	165.8	0	0	0	111.5	M640 L643 T861 M862 A865 V875 P877 V901 C902 V908 Y909	M640-I905 HydrophobicContact CE-CG2 3.82Å; M640-I905 HydrophobicContact SD-CG2 4Å; L643-I905 HydrophobicContact CD2-CB 4.13Å; L643-I905 HydrophobicContact CD2-CG2 3.62Å; T861-I905 HydrophobicContact CG2-CD1 4.12Å; M862-I905 HydrophobicContact CE-CB 4.44Å; M862-I905 HydrophobicContact CE-CG1 3.61Å; M862-I905 HydrophobicContact SD-CG1 3.92Å; A865-I905 HydrophobicContact CB-CD1 3.46Å; A865-I905 VanDerWaalsContact CB-CD1 3.46Å; A865-I905 HydrophobicContact CB-CG1 3.61Å; A865-I905 HydrophobicContact CB-CG2 4.43Å; V875-I905 HydrophobicContact CG1-CD1 4.48Å; V875-I905 HydrophobicContact CG1-CG2 4.02Å; P877-I905 HydrophobicContact CB-CD1 4.35Å; P877-I905 HydrophobicContact CG-CD1 3.83Å; V901-I905 HydrophobicContact CG2-CD1 4.3Å; V901-I905 WeakPolarHBondContact O-CB 3.12Å; V901-I905 WeakPolarHBondContact O-CD1 3.1Å; V901-I905 WeakPolarHBondContact O-CG1 3.34Å; V901-I905 PolarHBondContact O-N 3.16Å; C902-I905 PolarHBondContact O-N 3Å; I905-V908 PolarHBondContact O-N 3.16Å; I905-Y909 PolarHBondContact O-N 3.32Å
906	L	95.6	Very high	91.8	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-47.9	173.1	-69.4	175.8	0	0	0	111.3	M640 L643 A644 L647 C902 E903 V908 Y909 E910	M640-L906 HydrophobicContact CB-CD2 4.33Å; M640-L906 WeakPolarHBondContact O-CD2 3.35Å; M640-L906 HydrophobicContact SD-CD2 4.1Å; L643-L906 HydrophobicContact CB-CD2 4.11Å; L643-L906 HydrophobicContact CD2-CD2 4.03Å; L643-L906 HydrophobicContact CD2-CG 4.03Å; L643-L906 HydrophobicContact CG-CD1 4.37Å; L643-L906 HydrophobicContact CG-CD2 4.08Å; L643-L906 HydrophobicContact CG-CG 4.08Å; A644-L906 HydrophobicContact CB-CD1 3.87Å; A644-L906 HydrophobicContact CB-CD2 4.21Å; L647-L906 HydrophobicContact CD1-CD1 3.6Å; C902-L906 PolarHBondContact O-N 3.47Å; E903-L906 PolarHBondContact O-N 3.15Å; L906-V908 VanDerWaalsContact C-N 3.29Å; L906-V908 PolarHBondContact O-N 3.36Å; L906-Y909 PolarHBondContact O-N 2.95Å; L906-E910 WeakPolarHBondContact O-CB 3.48Å; L906-E910 WeakPolarHBondContact O-CG 3.26Å; L906-E910 PolarHBondContact O-N 3.01Å
907	K	94.6	Very high	90.7	Very high	38 Å²	38	49.9 Å²	49.9	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-53.9	-44.9	177.6	-163.7	-176.2	-175.4	-177.3	0	112.1	D823 S824 S825 L828 E903 A904 Y909 E911	D823-K907 IonicContact OD1-NZ 3.52Å; D823-K907 IonicContact OD2-NZ 3.56Å; D823-K907 PolarHBondContact OD2-NZ 3.08Å; S824-K907 VanDerWaalsContact OG-CD 3.26Å; S824-K907 WeakPolarHBondContact OG-CD 3.29Å; S825-K907 PolarHBondContact OG-NZ 3.28Å; L828-K907 HydrophobicContact CD1-CD 4.16Å; E903-K907 PolarHBondContact O-N 3.01Å; A904-K907 PolarHBondContact O-N 3.29Å; K907-Y909 VanDerWaalsContact C-N 3.34Å; K907-Y909 PolarHBondContact O-N 3.07Å; K907-E911 WeakPolarHBondContact CE-OE1 3.31Å; K907-E911 HydrophobicContact CG-CG 4.42Å; K907-E911 WeakPolarHBondContact CG-OE1 3.47Å; K907-E911 WeakPolarHBondContact O-CB 3.45Å; K907-E911 PolarHBondContact O-N 2.74Å
908	V	94	Very high	88.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-40.3	177.1	165.5	0	0	0	0	112.8	L828 M862 M866 I869 A904 I905 L906 G912 F913 V914	L828-V908 HydrophobicContact CD1-CG2 3.77Å; L828-V908 HydrophobicContact CD2-CG2 3.41Å; L828-V908 VanDerWaalsContact CD2-CG2 3.41Å; L828-V908 HydrophobicContact CG-CG2 4.21Å; M862-V908 HydrophobicContact CE-CB 4.26Å; M862-V908 HydrophobicContact CE-CG1 4.5Å; M862-V908 HydrophobicContact CE-CG2 3.84Å; M866-V908 HydrophobicContact CE-CG1 4.32Å; M866-V908 HydrophobicContact CE-CG2 3.76Å; M866-V908 HydrophobicContact CG-CG1 4.26Å; I869-V908 HydrophobicContact CD1-CG1 3.99Å; A904-V908 WeakPolarHBondContact O-CG2 3.28Å; A904-V908 PolarHBondContact O-N 3.38Å; I905-V908 PolarHBondContact O-N 3.16Å; L906-V908 VanDerWaalsContact C-N 3.29Å; L906-V908 PolarHBondContact O-N 3.36Å; V908-G912 WeakPolarHBondContact O-CA 3.2Å; V908-G912 PolarHBondContact O-N 3.48Å; V908-F913 HydrophobicContact CG1-CB 4.35Å; V908-F913 PolarHBondContact O-N 2.99Å; V908-F913 VanDerWaalsContact O-N 3.13Å; V908-V914 HydrophobicContact CG1-CB 3.84Å; V908-V914 HydrophobicContact CG1-CG2 3.86Å
909	Y	93.4	Very high	86.1	Confident	66 Å²	66	61.6 Å²	61.6	26%	0.259	31%	0.309	S	S	.	.	H	α-helix	trans	-76.3	-44.8	179.4	178.5	-102.8	0	0	0	112.8	L636 R637 M640 I905 L906 K907 G912	L636-Y909 HydrophobicContact CD1-CD2 4.4Å; L636-Y909 HydrophobicContact CD1-CE2 4.25Å; L636-Y909 HydrophobicContact CD2-CD2 4.32Å; L636-Y909 HydrophobicContact CD2-CE2 3.81Å; L636-Y909 HydrophobicContact CG-CD2 4.37Å; L636-Y909 HydrophobicContact CG-CE2 3.77Å; R637-Y909 WeakPolarHBondContact CA-OH 3.41Å; R637-Y909 WeakPolarHBondContact CB-OH 3.32Å; M640-Y909 HydrophobicContact CB-CD1 3.76Å; M640-Y909 HydrophobicContact CB-CE1 3.73Å; M640-Y909 HydrophobicContact CB-CG 4.35Å; M640-Y909 HydrophobicContact CE-CD2 4.24Å; M640-Y909 HydrophobicContact CE-CG 4.21Å; M640-Y909 HydrophobicContact CG-CD1 3.58Å; M640-Y909 HydrophobicContact CG-CD2 3.92Å; M640-Y909 HydrophobicContact CG-CE1 3.78Å; M640-Y909 HydrophobicContact CG-CE2 4.12Å; M640-Y909 HydrophobicContact CG-CG 3.65Å; M640-Y909 HydrophobicContact SD-CD1 4.33Å; M640-Y909 HydrophobicContact SD-CG 4.07Å; I905-Y909 PolarHBondContact O-N 3.32Å; L906-Y909 PolarHBondContact O-N 2.95Å; K907-Y909 VanDerWaalsContact C-N 3.34Å; K907-Y909 PolarHBondContact O-N 3.07Å; Y909-G912 PolarHBondContact O-N 3.21Å
910	E	90.8	Very high	83.2	Confident	140 Å²	140	61.7 Å²	61.7	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-73.3	-42.3	-174.8	-69.2	-178.4	166.3	0	0	112.8	L906 G912	L906-E910 WeakPolarHBondContact O-CB 3.48Å; L906-E910 WeakPolarHBondContact O-CG 3.26Å; L906-E910 PolarHBondContact O-N 3.01Å; E910-G912 VanDerWaalsContact C-N 3.26Å
911	E	89.4	Confident	80.5	Confident	122 Å²	122	66.9 Å²	66.9	57%	0.57	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.4	173.1	-63.3	-178.5	-144.6	0	0	111.9	K907 F913	K907-E911 WeakPolarHBondContact CE-OE1 3.31Å; K907-E911 HydrophobicContact CG-CG 4.42Å; K907-E911 WeakPolarHBondContact CG-OE1 3.47Å; K907-E911 WeakPolarHBondContact O-CB 3.45Å; K907-E911 PolarHBondContact O-N 2.74Å; E911-F913 HydrophobicContact CB-CD2 3.75Å; E911-F913 HydrophobicContact CB-CE2 3.67Å; E911-F913 HydrophobicContact CG-CE2 4.27Å; E911-F913 WeakPolarHBondContact OE2-CE2 3.39Å
912	G	84.8	Confident	77.3	Confident	18 Å²	18	72.9 Å²	72.9	19%	0.186	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	32.1	176.1	0	0	0	0	0	113.9	V908 Y909 E910 V914 K915	V908-G912 WeakPolarHBondContact O-CA 3.2Å; V908-G912 PolarHBondContact O-N 3.48Å; Y909-G912 PolarHBondContact O-N 3.21Å; E910-G912 VanDerWaalsContact C-N 3.26Å; G912-V914 PolarHBondContact O-N 2.72Å; G912-K915 WeakPolarHBondContact O-CE 3.46Å
913	F	79.4	Confident	74.2	Confident	96 Å²	96	85.8 Å²	85.8	42%	0.421	45%	0.452	S	S	.	.	S	Bend	trans	-52.2	-37.4	170.7	-78.2	-90.1	0	0	0	111.8	L828 V908 E911	L828-F913 HydrophobicContact CD1-CE2 4.48Å; V908-F913 HydrophobicContact CG1-CB 4.35Å; V908-F913 PolarHBondContact O-N 2.99Å; V908-F913 VanDerWaalsContact O-N 3.13Å; E911-F913 HydrophobicContact CB-CD2 3.75Å; E911-F913 HydrophobicContact CB-CE2 3.67Å; E911-F913 HydrophobicContact CG-CE2 4.27Å; E911-F913 WeakPolarHBondContact OE2-CE2 3.39Å
914	V	83.1	Confident	73.1	Confident	17 Å²	17	86.3 Å²	86.3	10%	0.103	46%	0.457	C	S	.	.	S	Bend	trans	-128.5	136.2	178.9	-179.1	0	0	0	0	107.1	M866 I869 E870 V908 G912	M866-V914 HydrophobicContact CB-CG2 4.4Å; M866-V914 HydrophobicContact CE-CG2 4.31Å; M866-V914 HydrophobicContact CG-CG2 4.03Å; M866-V914 HydrophobicContact SD-CG2 4.15Å; I869-V914 HydrophobicContact CB-CG1 4.32Å; I869-V914 HydrophobicContact CG2-CB 4.38Å; I869-V914 HydrophobicContact CG2-CG1 4.05Å; E870-V914 HydrophobicContact CG-CG1 3.36Å; V908-V914 HydrophobicContact CG1-CB 3.84Å; V908-V914 HydrophobicContact CG1-CG2 3.86Å; G912-V914 PolarHBondContact O-N 2.72Å
915	K	77.8	Confident	71.9	Confident	144 Å²	144	90.8 Å²	90.8	63%	0.626	48%	0.481	S	S	*	.			trans	-130.1	151.1	-174.5	-65.9	179.4	-176.9	174.2	0	110	G912 L917	G912-K915 WeakPolarHBondContact O-CE 3.46Å; K915-L917 PolarHBondContact O-N 3.42Å
916	P	77.6	Confident	70.4	Confident	46 Å²	46	95.8 Å²	95.8	30%	0.299	51%	0.507	S	S	.	.			trans	-48.8	130.8	166.5	-28.5	36.4	0	0	0	110.7	L636 I869 E870 N872 T918	L636-P916 HydrophobicContact CD2-CG 3.95Å; I869-P916 WeakPolarHBondContact O-CA 3.41Å; E870-P916 WeakPolarHBondContact O-CA 3.12Å; N872-P916 HydrophobicContact CB-CB 4.02Å; N872-P916 HydrophobicContact CB-CG 4.35Å; P916-T918 PolarHBondContact O-N 2.68Å
917	L	71.9	Confident	68.9	Low	130 Å²	130	100.5 Å²	100.5	68%	0.681	53%	0.532	S	S	*	.			trans	-63.7	108.6	175.6	-68.8	170.6	0	0	0	107.8	E870 K915 T919	E870-L917 HydrophobicContact CB-CD1 4.33Å; E870-L917 HydrophobicContact CB-CG 4.22Å; E870-L917 PolarHBondContact O-N 2.85Å; K915-L917 PolarHBondContact O-N 3.42Å; L917-T919 PolarHBondContact O-N 3.36Å; L917-T919 VanDerWaalsContact O-N 3.08Å
918	T	51.1	Low	67.3	Low	130 Å²	130	104.4 Å²	104.4	80%	0.798	56%	0.555	S	S	*	*			trans	-55.4	119.1	176.3	51	0	0	0	0	108.7	P916 S920	P916-T918 PolarHBondContact O-N 2.68Å; T918-S920 PolarHBondContact O-N 3.15Å
919	T	43.8	Very low	65.6	Low	137 Å²	137	111.3 Å²	111.3	84%	0.84	59%	0.592	S	S	*	*			trans	-56.6	107.3	177	38	0	0	0	0	108.9	L917 S921	L917-T919 PolarHBondContact O-N 3.36Å; L917-T919 VanDerWaalsContact O-N 3.08Å; T919-S921 PolarHBondContact O-N 3.25Å
920	S	36.2	Very low	63.6	Low	106 Å²	106	114.6 Å²	114.6	74%	0.741	62%	0.615	S	S	*	*			trans	-71.3	95.5	-173.4	55.1	0	0	0	0	109.4	T918 N922	T918-S920 PolarHBondContact O-N 3.15Å; S920-N922 PolarHBondContact O-N 3.03Å
921	S	40.6	Very low	61.5	Low	121 Å²	121	112.6 Å²	112.6	85%	0.846	61%	0.613	S	S	*	*			trans	-69.9	66.9	175.5	45	0	0	0	0	111.4	T919	T919-S921 PolarHBondContact O-N 3.25Å
922	N	30.6	Very low	59.1	Low	126 Å²	126	111.8 Å²	111.8	67%	0.674	62%	0.616	S	S	*	*			trans	-143.6	100.1	178.9	-98.8	-55.6	0	0	0	112	S920	S920-N922 PolarHBondContact O-N 3.03Å
923	K	33	Very low	56.8	Low	271 Å²	271	120.4 Å²	120.4	100%	1.178	66%	0.655	S	S	*	*			trans	65.6	0	145.7	-58.1	179.1	-177.3	177.5	0	118

Retrieved 923 of 923 residues in 249.8 ms (Link to these results)

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