A0A087YF88_POEFO Loading...

Semaphorin 4G

AlphaFold DB , UniProt , Accession A0A087YF88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 887 aa.

						>A0A087YF88_POEFO|A0A087YF88
NMQRNERWFKVSILYCVMLSQLWAFPFSPSLDLDVTPRTTIFHKDFWSCNNGFTGSSQNYSTLLLEEETGRLYVGGRGALYALNTSNISTSANLTIDWNASPEQKKQCLNKGRNNQTECHNHIRFLQRFNETHLYVCGTNAFRPLCVYIDAERFNFSSGFEEGRDRCPYDPAKGFTGLLIGHSDGEMFTASQYEFRSSPDIRRNFPFPTLRTEEAPTRWLLEADFVGSVLLKESINSSIGDDDKIYFFFTERSQEQVAYPSQTKVSRVARVCKNDWGGQRTLQRKWTTFLKARMVCSVPEYELHLNVLRDVFVLQGRDVQSSIFYGVFGLEWKNIKASAICQYAFSDVRRVFEGPYMEVQDSKWREYTGKVPEPRPGSCITDVHRSQGINSSRDLPDSVLTFARRHPLMAKQVHPVDLRPLMFKRSVNYVKIAVHKEPALDENLYTVLFLGTDEGWLHKAVEVDGETHIIEELQIFAKPQPIESMVTSAVQRSIYIGSHSGVIQVPMSACQRYTSCYDCVFARDPFCGWDGRVCVEISSRPQRSNLTQDISRGTRGCKENPGNGPVIHRRRAVMSGDDVLLQCELRSNLATPRWTLNGKELQGYGLSTGYRVGTDGLLIIGARTQQGGSYRCFAVENGVSVLVYLYTVKVHTDPYFPVEPTDSTEPTTISSPVVFSTASPTEQPLPSPPAPLPPGANFQTYRHMEAIYISLVAVLGGLCLVLTVVLLYVSFCTRRESRSRKFSHQNLHVLGSSDRKRSSHLELKTISSHCNGRQGRRSISVPTFGDFNDSFLQIIPGDDQMSPAKTPPPAPPLPNPPPLPNMDYANGLSATLPSVLRKMNGNSYVLLRQADPEGMSPLYHSFTEELNRILEQRKHTQLDMHPDESSI
					

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(Predicted Aligned Error values between residue pairs)

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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	N	48.6	Very low	49	Very low	170 Å²	170	148.5 Å²	148.5	91%	0.909	67%	0.673	S	S	*	*				0	-51	0	-69.2	-3.8	0	0	0	114.8	Q3 R4	N1-Q3 PolarHBondContact O-N 3.44Å; N1-R4 WeakPolarHBondContact O-CB 3.47Å; N1-R4 PolarHBondContact O-N 3.24Å
2	M	39.7	Very low	49.7	Very low	176 Å²	176	141.5 Å²	141.5	87%	0.867	66%	0.655	S	S	*	*	H	α-helix	trans	-53.4	-48.4	-170.4	-148.9	139.6	94.1	0	0	114.9	R4 N5 E6	M2-R4 PolarHBondContact O-N 3.47Å; M2-R4 VanDerWaalsContact O-N 3.15Å; M2-N5 PolarHBondContact O-N 3.34Å; M2-E6 PolarHBondContact O-N 3.08Å
3	Q	42.3	Very low	50.5	Low	164 Å²	164	137.8 Å²	137.8	77%	0.766	64%	0.641	S	S	*	*	H	α-helix	trans	-61	-21	174.7	-74.6	178.4	-27.4	0	0	114.9	N1 R7	N1-Q3 PolarHBondContact O-N 3.44Å; Q3-R7 PolarHBondContact O-N 3.11Å
4	R	44.1	Very low	51.3	Low	175 Å²	175	136.4 Å²	136.4	66%	0.66	64%	0.64	S	S	*	*	H	α-helix	trans	-74.1	-42.7	176.8	-158.6	170.4	89.2	171.8	6.3	110.3	N1 M2 E6 R7 W8	N1-R4 WeakPolarHBondContact O-CB 3.47Å; N1-R4 PolarHBondContact O-N 3.24Å; M2-R4 PolarHBondContact O-N 3.47Å; M2-R4 VanDerWaalsContact O-N 3.15Å; R4-E6 VanDerWaalsContact C-N 3.31Å; R4-E6 PolarHBondContact O-N 2.94Å; R4-R7 PolarHBondContact O-N 2.95Å; R4-W8 PolarHBondContact O-N 3.21Å
5	N	45.6	Very low	51.8	Low	114 Å²	114	138.3 Å²	138.3	61%	0.61	64%	0.64	S	S	*	*	H	α-helix	trans	-63.4	-38.4	176.7	-71.9	17.8	0	0	0	111.4	M2 R7 W8 F9	M2-N5 PolarHBondContact O-N 3.34Å; N5-R7 PolarHBondContact O-N 3.27Å; N5-W8 PolarHBondContact O-N 3.4Å; N5-F9 WeakPolarHBondContact O-CB 3.49Å; N5-F9 PolarHBondContact O-N 2.97Å
6	E	48.2	Very low	51.8	Low	100 Å²	100	134.9 Å²	134.9	47%	0.467	64%	0.636	S	S	.	*	H	α-helix	trans	-63	-39.2	179.7	-156	-161.5	144.5	0	0	112.9	M2 R4 F9 K10	M2-E6 PolarHBondContact O-N 3.08Å; R4-E6 VanDerWaalsContact C-N 3.31Å; R4-E6 PolarHBondContact O-N 2.94Å; E6-F9 PolarHBondContact O-N 3.38Å; E6-K10 WeakPolarHBondContact O-CG 3.33Å; E6-K10 PolarHBondContact O-N 3.39Å; E6-K10 WeakPolarHBondContact OE1-CE 3.31Å; E6-K10 IonicContact OE1-NZ 3.58Å; E6-K10 PolarHBondContact OE1-NZ 3.22Å
7	R	50	Low	52	Low	201 Å²	201	131 Å²	131	76%	0.758	62%	0.623	S	S	*	*	H	α-helix	trans	-64.7	-44.2	171.9	-82.5	-171.7	172.2	-172.9	-2	112.1	Q3 R4 N5 F9 K10 V11	Q3-R7 PolarHBondContact O-N 3.11Å; R4-R7 PolarHBondContact O-N 2.95Å; N5-R7 PolarHBondContact O-N 3.27Å; R7-F9 VanDerWaalsContact C-N 3.34Å; R7-F9 PolarHBondContact O-N 3.42Å; R7-K10 PolarHBondContact O-N 3.31Å; R7-V11 WeakPolarHBondContact O-CG2 3.44Å; R7-V11 PolarHBondContact O-N 3.48Å
8	W	51	Low	51.8	Low	173 Å²	173	129.7 Å²	129.7	66%	0.655	62%	0.618	S	S	*	*	H	α-helix	trans	-62	-40.8	175.8	-84.1	93	0	0	0	112.1	R4 N5 V11 S12	R4-W8 PolarHBondContact O-N 3.21Å; N5-W8 PolarHBondContact O-N 3.4Å; W8-V11 PolarHBondContact O-N 3.37Å; W8-S12 PolarHBondContact O-N 3.47Å; W8-S12 PolarHBondContact O-OG 2.81Å
9	F	50.9	Low	51.4	Low	151 Å²	151	127.2 Å²	127.2	66%	0.662	61%	0.607	S	S	*	*	H	α-helix	trans	-64.2	-43.5	178.1	-145.3	-96.4	0	0	0	112	N5 E6 R7 S12 I13	N5-F9 WeakPolarHBondContact O-CB 3.49Å; N5-F9 PolarHBondContact O-N 2.97Å; E6-F9 PolarHBondContact O-N 3.38Å; R7-F9 VanDerWaalsContact C-N 3.34Å; R7-F9 PolarHBondContact O-N 3.42Å; F9-S12 PolarHBondContact O-N 3.4Å; F9-I13 HydrophobicContact CD1-CD1 3.72Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 3.97Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 2.93Å
10	K	55.8	Low	50.9	Low	129 Å²	129	124.2 Å²	124.2	56%	0.561	60%	0.601	S	S	*	*	H	α-helix	trans	-65.5	-37.6	175.7	-73.7	172.1	175.2	173.8	0	112.6	E6 R7 L14	E6-K10 WeakPolarHBondContact O-CG 3.33Å; E6-K10 PolarHBondContact O-N 3.39Å; E6-K10 WeakPolarHBondContact OE1-CE 3.31Å; E6-K10 IonicContact OE1-NZ 3.58Å; E6-K10 PolarHBondContact OE1-NZ 3.22Å; R7-K10 PolarHBondContact O-N 3.31Å; K10-L14 WeakPolarHBondContact O-CB 3.49Å; K10-L14 PolarHBondContact O-N 2.97Å; K10-L14 VanDerWaalsContact O-N 3.08Å
11	V	62.8	Low	50.6	Low	81 Å²	81	124.7 Å²	124.7	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-66.9	-43.3	173.3	170.2	0	0	0	0	111.5	R7 W8 I13 L14 Y15	R7-V11 WeakPolarHBondContact O-CG2 3.44Å; R7-V11 PolarHBondContact O-N 3.48Å; W8-V11 PolarHBondContact O-N 3.37Å; V11-I13 PolarHBondContact O-N 3.39Å; V11-L14 PolarHBondContact O-N 3.14Å; V11-Y15 PolarHBondContact O-N 3.26Å
12	S	57	Low	50.3	Low	64 Å²	64	123.2 Å²	123.2	45%	0.448	59%	0.594	S	S	.	*	H	α-helix	trans	-63.1	-41.2	176.8	-65.3	0	0	0	0	112.6	W8 F9 Y15 C16	W8-S12 PolarHBondContact O-N 3.47Å; W8-S12 PolarHBondContact O-OG 2.81Å; F9-S12 PolarHBondContact O-N 3.4Å; S12-Y15 PolarHBondContact O-N 2.88Å; S12-C16 PolarHBondContact O-N 2.71Å; S12-C16 PolarHBondContact O-SG 2.9Å; S12-C16 VanDerWaalsContact O-SG 3.38Å
13	I	60.3	Low	50.1	Low	94 Å²	94	124.2 Å²	124.2	48%	0.482	59%	0.588	S	S	.	*	H	α-helix	trans	-60.9	-46.3	173.8	-70.3	167	0	0	0	110.4	F9 V11 Y15 C16 V17	F9-I13 HydrophobicContact CD1-CD1 3.72Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 3.97Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 2.93Å; V11-I13 PolarHBondContact O-N 3.39Å; I13-Y15 VanDerWaalsContact C-N 3.32Å; I13-Y15 PolarHBondContact O-N 2.89Å; I13-C16 PolarHBondContact O-N 3.28Å; I13-V17 WeakPolarHBondContact O-CG2 3.22Å; I13-V17 PolarHBondContact O-N 2.94Å
14	L	61.3	Low	49.7	Very low	118 Å²	118	119.5 Å²	119.5	62%	0.618	58%	0.577	S	S	*	*	H	α-helix	trans	-61	-41.1	177.7	-161.3	74.5	0	0	0	111.6	K10 V11 V17 M18	K10-L14 WeakPolarHBondContact O-CB 3.49Å; K10-L14 PolarHBondContact O-N 2.97Å; K10-L14 VanDerWaalsContact O-N 3.08Å; V11-L14 PolarHBondContact O-N 3.14Å; L14-V17 PolarHBondContact O-N 3.33Å; L14-M18 VanDerWaalsContact O-CG 3.25Å; L14-M18 WeakPolarHBondContact O-CG 3.49Å; L14-M18 PolarHBondContact O-N 2.82Å
15	Y	59.7	Low	49.2	Very low	164 Å²	164	118.2 Å²	118.2	64%	0.643	58%	0.576	S	S	*	*	H	α-helix	trans	-64.7	-40.6	176.1	-124.5	-87.7	0	0	0	112.5	V11 S12 I13 M18 L19	V11-Y15 PolarHBondContact O-N 3.26Å; S12-Y15 PolarHBondContact O-N 2.88Å; I13-Y15 VanDerWaalsContact C-N 3.32Å; I13-Y15 PolarHBondContact O-N 2.89Å; Y15-M18 PolarHBondContact O-N 3.1Å; Y15-L19 HydrophobicContact CD1-CD1 4.05Å; Y15-L19 HydrophobicContact CD1-CG 4.45Å; Y15-L19 VanDerWaalsContact O-CB 3.31Å; Y15-L19 WeakPolarHBondContact O-CB 3.46Å; Y15-L19 WeakPolarHBondContact O-CG 3.49Å; Y15-L19 PolarHBondContact O-N 3.4Å
16	C	51.2	Low	48.6	Very low	85 Å²	85	118 Å²	118	57%	0.574	58%	0.581	S	S	*	*	H	α-helix	trans	-65.2	-39.4	174.6	-72.1	0	0	0	0	112.4	S12 I13 L19 S20	S12-C16 PolarHBondContact O-N 2.71Å; S12-C16 PolarHBondContact O-SG 2.9Å; S12-C16 VanDerWaalsContact O-SG 3.38Å; I13-C16 PolarHBondContact O-N 3.28Å; C16-L19 PolarHBondContact O-N 3.16Å; C16-S20 WeakPolarHBondContact O-CB 3.3Å; C16-S20 PolarHBondContact O-N 3.44Å; C16-S20 PolarHBondContact O-OG 3.46Å
17	V	55.2	Low	47.9	Very low	68 Å²	68	122.4 Å²	122.4	41%	0.412	60%	0.599	S	S	.	*	H	α-helix	trans	-64.8	-47.4	175.7	171.8	0	0	0	0	110.7	I13 L14 L19 S20 Q21	I13-V17 WeakPolarHBondContact O-CG2 3.22Å; I13-V17 PolarHBondContact O-N 2.94Å; L14-V17 PolarHBondContact O-N 3.33Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.22Å; V17-S20 WeakPolarHBondContact CA-OG 3.4Å; V17-S20 PolarHBondContact O-N 3Å; V17-S20 VanDerWaalsContact O-N 3.12Å; V17-S20 PolarHBondContact O-OG 2.87Å; V17-Q21 PolarHBondContact O-N 2.71Å
18	M	48.7	Very low	47.1	Very low	108 Å²	108	116.8 Å²	116.8	53%	0.532	59%	0.59	S	S	.	*	H	α-helix	trans	-63.2	-38.7	177	-64.8	-67.9	-77.2	0	0	111.9	L14 Y15 Q21 L22	L14-M18 VanDerWaalsContact O-CG 3.25Å; L14-M18 WeakPolarHBondContact O-CG 3.49Å; L14-M18 PolarHBondContact O-N 2.82Å; Y15-M18 PolarHBondContact O-N 3.1Å; M18-Q21 PolarHBondContact O-N 3.41Å; M18-L22 WeakPolarHBondContact O-CG 3.3Å; M18-L22 PolarHBondContact O-N 3.14Å; M18-L22 VanDerWaalsContact O-N 3.08Å
19	L	43.4	Very low	46.4	Very low	81 Å²	81	114.1 Å²	114.1	42%	0.424	60%	0.595	S	S	.	*	H	α-helix	trans	-65.5	-37.7	172.4	-79.7	166.4	0	0	0	112.3	Y15 C16 V17 Q21 L22 W23	Y15-L19 HydrophobicContact CD1-CD1 4.05Å; Y15-L19 HydrophobicContact CD1-CG 4.45Å; Y15-L19 VanDerWaalsContact O-CB 3.31Å; Y15-L19 WeakPolarHBondContact O-CB 3.46Å; Y15-L19 WeakPolarHBondContact O-CG 3.49Å; Y15-L19 PolarHBondContact O-N 3.4Å; C16-L19 PolarHBondContact O-N 3.16Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.22Å; L19-Q21 VanDerWaalsContact C-N 3.27Å; L19-Q21 PolarHBondContact O-N 3.09Å; L19-L22 CarbonylContact O-C 3.52Å; L19-L22 PolarHBondContact O-N 3.07Å; L19-W23 WeakPolarHBondContact O-CB 3.36Å; L19-W23 PolarHBondContact O-N 2.87Å
20	S	41.8	Very low	45.9	Very low	68 Å²	68	111.9 Å²	111.9	48%	0.476	60%	0.599	S	S	.	*	H	α-helix	trans	-68.7	-22.7	174.5	69.2	0	0	0	0	113.6	C16 V17 A24	C16-S20 WeakPolarHBondContact O-CB 3.3Å; C16-S20 PolarHBondContact O-N 3.44Å; C16-S20 PolarHBondContact O-OG 3.46Å; V17-S20 WeakPolarHBondContact CA-OG 3.4Å; V17-S20 PolarHBondContact O-N 3Å; V17-S20 VanDerWaalsContact O-N 3.12Å; V17-S20 PolarHBondContact O-OG 2.87Å; S20-A24 VanDerWaalsContact O-CB 3.27Å; S20-A24 WeakPolarHBondContact O-CB 3.48Å; S20-A24 PolarHBondContact O-N 3.34Å
21	Q	44.1	Very low	45.4	Very low	134 Å²	134	110.2 Å²	110.2	63%	0.626	60%	0.595	S	S	*	*	H	α-helix	trans	-81.2	-27.2	170.7	-72.4	-177.1	-21.4	0	0	112.4	V17 M18 L19	V17-Q21 PolarHBondContact O-N 2.71Å; M18-Q21 PolarHBondContact O-N 3.41Å; L19-Q21 VanDerWaalsContact C-N 3.27Å; L19-Q21 PolarHBondContact O-N 3.09Å
22	L	43.6	Very low	45	Very low	140 Å²	140	112 Å²	112	73%	0.733	60%	0.602	S	S	*	*	H	α-helix	trans	-85.4	-19.5	174.5	-69.2	167.6	0	0	0	113.8	M18 L19	M18-L22 WeakPolarHBondContact O-CG 3.3Å; M18-L22 PolarHBondContact O-N 3.14Å; M18-L22 VanDerWaalsContact O-N 3.08Å; L19-L22 CarbonylContact O-C 3.52Å; L19-L22 PolarHBondContact O-N 3.07Å
23	W	35.7	Very low	45.4	Very low	197 Å²	197	110.4 Å²	110.4	75%	0.746	59%	0.588	S	S	*	*	S	Bend	trans	-113	7.4	173.8	-77.3	76.3	0	0	0	113.3	L19 F25	L19-W23 WeakPolarHBondContact O-CB 3.36Å; L19-W23 PolarHBondContact O-N 2.87Å; W23-F25 PolarHBondContact O-N 3.35Å
24	A	33.6	Very low	46.2	Very low	64 Å²	64	107.3 Å²	107.3	53%	0.529	57%	0.573	S	S	.	*			trans	-63.3	95.1	151.6	0	0	0	0	0	106.5	S20	S20-A24 VanDerWaalsContact O-CB 3.27Å; S20-A24 WeakPolarHBondContact O-CB 3.48Å; S20-A24 PolarHBondContact O-N 3.34Å
25	F	33	Very low	47.2	Very low	149 Å²	149	103.1 Å²	103.1	65%	0.654	55%	0.552	S	S	*	*			trans	-46.1	132.3	152.6	-83	-91.4	0	0	0	106.7	W23 F27	W23-F25 PolarHBondContact O-N 3.35Å; F25-F27 PolarHBondContact O-N 3.07Å
26	P	34.1	Very low	48.7	Very low	109 Å²	109	98.2 Å²	98.2	71%	0.708	54%	0.539	S	S	*	.			trans	-65.2	91	163.9	28.9	-32.1	0	0	0	106.7	S28	P26-S28 PolarHBondContact O-N 3.3Å
27	F	33	Very low	50.8	Low	193 Å²	193	94.7 Å²	94.7	85%	0.846	52%	0.515	S	S	*	.			trans	-61.8	68.7	136.8	-63.4	-74.8	0	0	0	106.7	F25	F25-F27 PolarHBondContact O-N 3.07Å
28	S	33.1	Very low	52.7	Low	82 Å²	82	91.6 Å²	91.6	57%	0.573	50%	0.496	S	S	*	.			trans	-43.7	129.4	150.3	-58	0	0	0	0	105.3	P26 S30	P26-S28 PolarHBondContact O-N 3.3Å; S28-S30 PolarHBondContact O-N 2.84Å; S28-S30 VanDerWaalsContact O-N 3.13Å
29	P	36.7	Very low	54.9	Low	117 Å²	117	87 Å²	87	76%	0.76	47%	0.474	S	S	*	.			trans	-51.3	130.7	173.1	24.1	-33.2	0	0	0	106.6	L31	P29-L31 PolarHBondContact O-N 2.99Å
30	S	39.3	Very low	57.3	Low	105 Å²	105	85 Å²	85	73%	0.734	47%	0.465	S	S	*	.			trans	-53	109.9	180	49.7	0	0	0	0	107.3	S28 D32	S28-S30 PolarHBondContact O-N 2.84Å; S28-S30 VanDerWaalsContact O-N 3.13Å; S30-D32 PolarHBondContact O-N 3.44Å
31	L	45.8	Very low	59.8	Low	93 Å²	93	83 Å²	83	49%	0.487	45%	0.449	S	S	.	.			trans	-53.6	111.6	-177.4	-99.6	151.5	0	0	0	106.8	P29 L33	P29-L31 PolarHBondContact O-N 2.99Å; L31-L33 HydrophobicContact CB-CD1 4.15Å; L31-L33 HydrophobicContact CB-CG 4.26Å; L31-L33 PolarHBondContact O-N 3.31Å
32	D	55.6	Low	62	Low	119 Å²	119	81.8 Å²	81.8	64%	0.636	44%	0.442	S	S	*	.			trans	-80.2	71.5	-175.1	-158.3	4.3	0	0	0	108.8	S30 D34	S30-D32 PolarHBondContact O-N 3.44Å; D32-D34 PolarHBondContact O-N 2.74Å
33	L	63.5	Low	64.1	Low	31 Å²	31	77 Å²	77	16%	0.162	42%	0.416	C	S	.	.			trans	-59.7	-9.1	179.5	-79.7	145.4	0	0	0	112.3	L31 V35 V298 E300 Y301 F423	L31-L33 HydrophobicContact CB-CD1 4.15Å; L31-L33 HydrophobicContact CB-CG 4.26Å; L31-L33 PolarHBondContact O-N 3.31Å; L33-V35 PolarHBondContact O-N 3.26Å; L33-V298 HydrophobicContact CD1-CG1 3.85Å; L33-E300 HydrophobicContact CD1-CG 4.24Å; L33-Y301 HydrophobicContact CD1-CE2 4.25Å; L33-F423 HydrophobicContact CB-CB 4.19Å; L33-F423 HydrophobicContact CB-CD1 4.17Å; L33-F423 CarbonylContact O-C 3.46Å; L33-F423 WeakPolarHBondContact O-CB 3.18Å; L33-F423 PolarHBondContact O-N 2.76Å
34	D	77.7	Confident	66.4	Low	29 Å²	29	76.2 Å²	76.2	16%	0.155	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-91.1	72.2	178	-166.8	24.8	0	0	0	111.8	D32 T36 K424 R425	D32-D34 PolarHBondContact O-N 2.74Å; D34-T36 PolarHBondContact O-N 3.21Å; D34-K424 WeakPolarHBondContact OD1-CA 3.46Å; D34-K424 VanDerWaalsContact OD1-CD 3.29Å; D34-K424 WeakPolarHBondContact OD1-CD 3.16Å; D34-K424 WeakPolarHBondContact OD1-CE 3.42Å; D34-K424 IonicContact OD1-NZ 2.63Å; D34-K424 PolarHBondContact OD1-NZ 2.76Å; D34-K424 IonicContact OD2-NZ 3.82Å; D34-K424 PolarHBondContact OD2-NZ 3.36Å; D34-R425 HydrophobicContact CB-CG 4.33Å; D34-R425 PolarHBondContact OD1-N 3.48Å; D34-R425 WeakPolarHBondContact OD2-CB 3.43Å
35	V	83.6	Confident	68.5	Low	29 Å²	29	78.1 Å²	78.1	18%	0.176	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-56.1	124.3	-172.7	-172.2	0	0	0	0	111.8	L33 M422 K424 T467 I469	L33-V35 PolarHBondContact O-N 3.26Å; V35-M422 HydrophobicContact CB-CE 4.04Å; V35-M422 HydrophobicContact CG2-CE 4.49Å; V35-M422 HydrophobicContact CG2-CG 4.22Å; V35-K424 WeakPolarHBondContact O-CD 3.16Å; V35-K424 WeakPolarHBondContact O-CE 3.41Å; V35-T467 WeakPolarHBondContact CG1-O 3.49Å; V35-I469 HydrophobicContact CB-CD1 4.13Å; V35-I469 HydrophobicContact CB-CG1 4.32Å; V35-I469 HydrophobicContact CG1-CB 4.41Å; V35-I469 HydrophobicContact CG1-CD1 3.97Å; V35-I469 HydrophobicContact CG1-CG1 3.76Å; V35-I469 VanDerWaalsContact O-CD1 3.25Å; V35-I469 WeakPolarHBondContact O-CD1 3.33Å
36	T	90.7	Very high	70.6	Confident	62 Å²	62	71 Å²	71	38%	0.38	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-87.9	132.9	179	-66.7	0	0	0	0	111.2	D34 R38 N588 L589	D34-T36 PolarHBondContact O-N 3.21Å; T36-R38 PolarHBondContact O-N 3.42Å; T36-N588 HydrophobicContact CG2-CB 4.2Å; T36-L589 HydrophobicContact CG2-CD2 4.06Å
37	P	94.9	Very high	72.2	Confident	10 Å²	10	71.4 Å²	71.4	7%	0.065	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-59.2	128.1	172.6	-23.9	34.7	0	0	0	112.5	I469 E472 N588	P37-I469 HydrophobicContact CB-CB 4.44Å; P37-I469 HydrophobicContact CB-CG2 3.79Å; P37-I469 HydrophobicContact CG-CD1 3.96Å; P37-I469 HydrophobicContact CG-CG2 4.12Å; P37-E472 HydrophobicContact CB-CB 3.87Å; P37-E472 HydrophobicContact CB-CG 3.74Å; P37-E472 HydrophobicContact CG-CB 4.04Å; P37-E472 HydrophobicContact CG-CG 4.09Å; P37-N588 WeakPolarHBondContact O-CB 3.23Å; P37-N588 PolarHBondContact O-ND2 2.65Å
38	R	95	Very high	73.3	Confident	3 Å²	3	66.4 Å²	66.4	1%	0.011	36%	0.364	C	S	.	.	S	Bend	trans	-61.9	-47.4	179.8	-173.5	-160.5	173.4	-110.9	-12.9	111.9	T36 I469 I470 D518 F521 S587 N588 L589 E636	T36-R38 PolarHBondContact O-N 3.42Å; R38-I469 WeakPolarHBondContact CB-O 3.38Å; R38-I469 PolarHBondContact N-O 3.44Å; R38-I470 WeakPolarHBondContact CB-O 3.26Å; R38-D518 IonicContact CZ-OD1 3.91Å; R38-D518 PolarHBondContact NH1-O 3.18Å; R38-D518 IonicContact NH1-OD1 2.78Å; R38-D518 PolarHBondContact NH1-OD1 3.28Å; R38-D518 IonicContact NH2-OD1 3.79Å; R38-D518 PolarHBondContact NH2-OD1 3.15Å; R38-D518 VanDerWaalsContact NH2-OD1 3.15Å; R38-F521 WeakPolarHBondContact CD-O 3.37Å; R38-F521 PolarHBondContact NE-O 2.8Å; R38-F521 VanDerWaalsContact NH2-CB 3.34Å; R38-S587 VanDerWaalsContact CG-OG 3.26Å; R38-S587 WeakPolarHBondContact CG-OG 3.35Å; R38-S587 CarbonylContact O-C 3.55Å; R38-S587 VanDerWaalsContact O-CA 3.29Å; R38-S587 WeakPolarHBondContact O-CA 3.42Å; R38-N588 PolarHBondContact O-N 2.97Å; R38-L589 HydrophobicContact CB-CD1 4.02Å; R38-L589 HydrophobicContact CB-CG 4.41Å; R38-L589 HydrophobicContact CG-CD1 4.08Å; R38-L589 HydrophobicContact CG-CG 4.38Å; R38-E636 WeakPolarHBondContact CG-OE1 3.35Å; R38-E636 IonicContact CZ-OE1 3.03Å; R38-E636 IonicContact CZ-OE2 2.89Å; R38-E636 IonicContact NE-OE1 3.15Å; R38-E636 PolarHBondContact NE-OE1 3.03Å; R38-E636 IonicContact NE-OE2 2.79Å; R38-E636 IonicContact NH2-OE1 2.73Å; R38-E636 IonicContact NH2-OE2 3.59Å; R38-E636 PolarHBondContact NH2-OE2 3.46Å
39	T	94.6	Very high	74.4	Confident	13 Å²	13	67.6 Å²	67.6	8%	0.08	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142	178.3	58.1	0	0	0	0	112.1	I470 E471 E472	T39-I470 PolarHBondContact OG1-O 2.79Å; T39-E471 CarbonylContact O-C 3.59Å; T39-E471 WeakPolarHBondContact O-CA 3.21Å; T39-E471 WeakPolarHBondContact OG1-CB 3.32Å; T39-E472 PolarHBondContact O-N 3.29Å
40	T	94.6	Very high	75.9	Confident	38 Å²	38	63 Å²	63	23%	0.233	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.3	-179.9	-49.1	0	0	0	0	110.2	F42 W456 E472 N588	T40-F42 HydrophobicContact CG2-CD2 4.5Å; T40-F42 HydrophobicContact CG2-CE1 4.03Å; T40-F42 HydrophobicContact CG2-CE2 3.9Å; T40-F42 HydrophobicContact CG2-CZ 3.63Å; T40-W456 HydrophobicContact CG2-CH2 4.42Å; T40-W456 HydrophobicContact CG2-CZ3 4.05Å; T40-E472 WeakPolarHBondContact CB-OE1 3.28Å; T40-E472 HydrophobicContact CG2-CG 3.85Å; T40-E472 WeakPolarHBondContact CG2-OE1 3.4Å; T40-E472 PolarHBondContact OG1-OE1 2.98Å; T40-N588 PolarHBondContact OG1-ND2 3.27Å
41	I	93.2	Very high	77.9	Confident	27 Å²	27	60.4 Å²	60.4	14%	0.138	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.2	-179.5	-50.6	-58.9	0	0	0	109.6	F46 E472 L473 Q474	I41-F46 HydrophobicContact CG2-CB 4.25Å; I41-E472 PolarHBondContact N-O 2.8Å; I41-L473 HydrophobicContact CB-CB 4.48Å; I41-L473 HydrophobicContact CB-CG 4.27Å; I41-L473 HydrophobicContact CG1-CG 4.43Å; I41-L473 WeakPolarHBondContact O-CA 3.27Å; I41-Q474 PolarHBondContact O-N 3.17Å
42	F	91.8	Very high	79.9	Confident	108 Å²	108	56.8 Å²	56.8	47%	0.474	30%	0.303	S	S	.	.			trans	-77.1	158.1	179	-64.9	-77.1	0	0	0	112.4	T40 K44 D45 F46 W456	T40-F42 HydrophobicContact CG2-CD2 4.5Å; T40-F42 HydrophobicContact CG2-CE1 4.03Å; T40-F42 HydrophobicContact CG2-CE2 3.9Å; T40-F42 HydrophobicContact CG2-CZ 3.63Å; F42-K44 PolarHBondContact O-N 3.25Å; F42-D45 PolarHBondContact O-N 3.46Å; F42-F46 PolarHBondContact O-N 3.47Å; F42-F46 VanDerWaalsContact O-N 3.13Å; F42-W456 HydrophobicContact CD1-CH2 4.18Å; F42-W456 HydrophobicContact CE1-CH2 4.05Å
43	H	86.6	Confident	81.6	Confident	40 Å²	40	52 Å²	52	19%	0.185	28%	0.277	C	S	.	.	H	α-helix	trans	-54.4	-33.9	-171.9	-180	-83.1	0	0	0	114.3	F46 W47 Q474 I475 A477	H43-F46 PolarHBondContact O-N 3.06Å; H43-W47 AromaticContact CD2-CD1 3.51Å; H43-W47 AromaticContact CD2-NE1 3.71Å; H43-W47 AromaticContact CE1-CD1 3.18Å; H43-W47 AromaticContact CE1-CG 3.75Å; H43-W47 AromaticContact CE1-NE1 3.47Å; H43-W47 PolarHBondContact CE1-NE1 3.37Å; H43-W47 AromaticContact CG-CD1 3.86Å; H43-W47 AromaticContact ND1-CD1 3.64Å; H43-W47 AromaticContact NE2-CD1 3.15Å; H43-W47 AromaticContact NE2-CE2 3.99Å; H43-W47 AromaticContact NE2-NE1 3.06Å; H43-W47 PolarHBondContact NE2-NE1 3.26Å; H43-W47 WeakPolarHBondContact O-CB 3.25Å; H43-W47 PolarHBondContact O-N 2.63Å; H43-Q474 WeakPolarHBondContact CA-O 3.1Å; H43-Q474 HydrophobicContact CB-CB 4.4Å; H43-Q474 HydrophobicContact CB-CG 4.22Å; H43-I475 PolarHBondContact CD2-O 3.43Å; H43-A477 HydrophobicContact CB-CB 4.46Å; H43-A477 PolarHBondContact CD2-N 2.92Å; H43-A477 PolarHBondContact NE2-N 2.83Å
44	K	84.3	Confident	82.8	Confident	179 Å²	179	55.5 Å²	55.5	78%	0.778	30%	0.299	S	S	*	.	H	α-helix	trans	-65.5	-38.6	-179.9	-66	-179.3	-180	177.4	0	112.4	F42	F42-K44 PolarHBondContact O-N 3.25Å
45	D	76.6	Confident	83.1	Confident	105 Å²	105	55.2 Å²	55.2	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-87	-15.2	-177.7	-47.5	-67.4	0	0	0	111.8	F42 S48	F42-D45 PolarHBondContact O-N 3.46Å; D45-S48 PolarHBondContact O-OG 3.06Å
46	F	77.8	Confident	83	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-82.8	-46.7	172	174.9	-83	0	0	0	112.9	I41 F42 H43 S48 N50 L473 I475 I503 V505	I41-F46 HydrophobicContact CG2-CB 4.25Å; F42-F46 PolarHBondContact O-N 3.47Å; F42-F46 VanDerWaalsContact O-N 3.13Å; H43-F46 PolarHBondContact O-N 3.06Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 2.91Å; F46-N50 HydrophobicContact CD1-CB 4.45Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.25Å; F46-N50 HydrophobicContact CE1-CB 4.03Å; F46-N50 WeakPolarHBondContact CE1-ND2 3.33Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.24Å; F46-N50 HydrophobicContact CZ-CB 4.34Å; F46-N50 WeakPolarHBondContact CZ-ND2 3.27Å; F46-N50 PolarHBondContact O-ND2 3Å; F46-L473 HydrophobicContact CD2-CB 4.1Å; F46-L473 HydrophobicContact CD2-CD2 3.84Å; F46-L473 HydrophobicContact CE2-CB 4.3Å; F46-L473 HydrophobicContact CE2-CD2 4.04Å; F46-I475 HydrophobicContact CD2-CD1 4.2Å; F46-I475 HydrophobicContact CE1-CD1 4.48Å; F46-I475 HydrophobicContact CE2-CD1 3.32Å; F46-I475 HydrophobicContact CZ-CD1 3.49Å; F46-I475 VanDerWaalsContact CZ-CD1 3.49Å; F46-I475 HydrophobicContact CZ-CG2 4.29Å; F46-I503 HydrophobicContact CE1-CG2 3.89Å; F46-I503 HydrophobicContact CZ-CG2 3.84Å; F46-V505 HydrophobicContact CE2-CG1 3.89Å; F46-V505 HydrophobicContact CE2-CG2 4.25Å; F46-V505 HydrophobicContact CZ-CG1 4.32Å; F46-V505 HydrophobicContact CZ-CG2 3.91Å
47	W	67.2	Low	82.7	Confident	117 Å²	117	55.9 Å²	55.9	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11	-171.8	-102.5	81.2	0	0	0	115.2	H43 C49 I503	H43-W47 AromaticContact CD2-CD1 3.51Å; H43-W47 AromaticContact CD2-NE1 3.71Å; H43-W47 AromaticContact CE1-CD1 3.18Å; H43-W47 AromaticContact CE1-CG 3.75Å; H43-W47 AromaticContact CE1-NE1 3.47Å; H43-W47 PolarHBondContact CE1-NE1 3.37Å; H43-W47 AromaticContact CG-CD1 3.86Å; H43-W47 AromaticContact ND1-CD1 3.64Å; H43-W47 AromaticContact NE2-CD1 3.15Å; H43-W47 AromaticContact NE2-CE2 3.99Å; H43-W47 AromaticContact NE2-NE1 3.06Å; H43-W47 PolarHBondContact NE2-NE1 3.26Å; H43-W47 WeakPolarHBondContact O-CB 3.25Å; H43-W47 PolarHBondContact O-N 2.63Å; W47-C49 PolarHBondContact O-N 2.7Å; W47-I503 HydrophobicContact CZ2-CD1 3.98Å
48	S	57.7	Low	82.5	Confident	88 Å²	88	59.2 Å²	59.2	62%	0.615	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.9	177.1	53.3	0	0	0	0	114.1	D45 F46	D45-S48 PolarHBondContact O-OG 3.06Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 2.91Å
49	C	55	Low	82.3	Confident	107 Å²	107	60.5 Å²	60.5	72%	0.723	33%	0.334	S	S	*	.	S	Bend	trans	-137.8	-1.5	-174.5	-61.5	0	0	0	0	115.8	W47	W47-C49 PolarHBondContact O-N 2.7Å
50	N	67.9	Low	82.4	Confident	19 Å²	19	59.9 Å²	59.9	10%	0.102	33%	0.33	C	S	.	.			trans	-116.3	142	-168.9	-72.7	-17.4	0	0	0	113.3	F46 P506	F46-N50 HydrophobicContact CD1-CB 4.45Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.25Å; F46-N50 HydrophobicContact CE1-CB 4.03Å; F46-N50 WeakPolarHBondContact CE1-ND2 3.33Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.24Å; F46-N50 HydrophobicContact CZ-CB 4.34Å; F46-N50 WeakPolarHBondContact CZ-ND2 3.27Å; F46-N50 PolarHBondContact O-ND2 3Å; N50-P506 WeakPolarHBondContact OD1-CD 3.36Å
51	N	81.9	Confident	82.3	Confident	51 Å²	51	59.3 Å²	59.3	27%	0.273	33%	0.327	S	S	.	.			trans	-82	132.8	178.8	-59.7	-36.1	0	0	0	110.8	N87 I88 Q504	N51-N87 PolarHBondContact ND2-OD1 3.06Å; N51-I88 HydrophobicContact CB-CG1 3.99Å; N51-Q504 HydrophobicContact CB-CB 4.21Å; N51-Q504 PolarHBondContact ND2-OE1 3.07Å; N51-Q504 PolarHBondContact O-N 2.83Å
52	G	87.4	Confident	82.5	Confident	17 Å²	17	59 Å²	59	18%	0.175	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.2	173.7	0	0	0	0	0	112	S89	G52-S89 PolarHBondContact N-OG 2.99Å; G52-S89 VanDerWaalsContact N-OG 3.07Å; G52-S89 WeakPolarHBondContact O-CB 3.23Å; G52-S89 PolarHBondContact O-OG 3.29Å
53	F	90.8	Very high	82.8	Confident	20 Å²	20	55 Å²	55	9%	0.088	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126	172.1	176.2	-105.2	0	0	0	110.7	Y60 Y81 L83 I88 N93 G501 V502	F53-Y60 HydrophobicContact CD1-CE1 4.34Å; F53-Y60 HydrophobicContact CE1-CE1 4.05Å; F53-Y81 AromaticContact CE1-CD1 3.9Å; F53-Y81 HydrophobicContact CE1-CD1 3.9Å; F53-Y81 AromaticContact CE1-CD2 3.85Å; F53-Y81 HydrophobicContact CE1-CD2 3.85Å; F53-Y81 HydrophobicContact CE1-CE1 4.22Å; F53-Y81 HydrophobicContact CE1-CE2 4.17Å; F53-Y81 AromaticContact CE1-CG 3.71Å; F53-Y81 HydrophobicContact CE1-CG 3.71Å; F53-Y81 AromaticContact CZ-CD1 3.58Å; F53-Y81 HydrophobicContact CZ-CD1 3.58Å; F53-Y81 HydrophobicContact CZ-CD2 4.38Å; F53-Y81 AromaticContact CZ-CE1 3.86Å; F53-Y81 HydrophobicContact CZ-CE1 3.86Å; F53-Y81 AromaticContact CZ-CG 3.87Å; F53-Y81 HydrophobicContact CZ-CG 3.87Å; F53-L83 HydrophobicContact CB-CD1 4.11Å; F53-L83 HydrophobicContact CD1-CD1 3.74Å; F53-L83 HydrophobicContact CD1-CD2 3.87Å; F53-L83 HydrophobicContact CD1-CG 4.48Å; F53-L83 HydrophobicContact CD2-CD2 3.98Å; F53-L83 HydrophobicContact CE1-CD1 4.38Å; F53-L83 HydrophobicContact CE1-CD2 3.85Å; F53-L83 HydrophobicContact CE2-CD2 3.98Å; F53-L83 HydrophobicContact CG-CD1 3.91Å; F53-L83 HydrophobicContact CG-CD2 3.93Å; F53-L83 HydrophobicContact CZ-CD2 3.9Å; F53-I88 HydrophobicContact CB-CB 4.32Å; F53-I88 HydrophobicContact CB-CD1 4Å; F53-I88 HydrophobicContact CB-CG1 4.29Å; F53-N93 WeakPolarHBondContact CD2-ND2 3.24Å; F53-N93 HydrophobicContact CE2-CB 4.45Å; F53-N93 WeakPolarHBondContact CE2-ND2 3.26Å; F53-G501 CarbonylContact O-C 3.57Å; F53-G501 VanDerWaalsContact O-CA 3.27Å; F53-G501 WeakPolarHBondContact O-CA 3.43Å; F53-V502 PolarHBondContact N-O 3.09Å; F53-V502 PolarHBondContact O-N 2.99Å
54	T	88.9	Confident	83.3	Confident	103 Å²	103	54.6 Å²	54.6	63%	0.632	31%	0.309	S	S	*	.			trans	-130	116.6	168.9	-62.6	0	0	0	0	107.6	S500	T54-S500 PolarHBondContact OG1-O 2.93Å
55	G	84.3	Confident	83.9	Confident	23 Å²	23	47.7 Å²	47.7	24%	0.237	28%	0.281	C	S	.	.			trans	-96.3	-164.2	174.6	0	0	0	0	0	112.6	S57 Y60	G55-S57 PolarHBondContact O-N 2.75Å; G55-Y60 WeakPolarHBondContact CA-OH 3.41Å; G55-Y60 PolarHBondContact N-OH 2.87Å; G55-Y60 PolarHBondContact O-OH 3.07Å
56	S	80.9	Confident	84.7	Confident	93 Å²	93	44 Å²	44	65%	0.65	26%	0.26	S	S	*	.	S	Bend	trans	-62.7	-12.3	171.8	49.3	0	0	0	0	114.8	Y81	S56-Y81 PolarHBondContact N-OH 2.98Å; S56-Y81 PolarHBondContact OG-OH 3.33Å
57	S	85.8	Confident	85.3	Confident	12 Å²	12	47.3 Å²	47.3	8%	0.084	28%	0.276	C	S	.	.			trans	-110.1	-179.3	-167.5	-170.4	0	0	0	0	113.4	G55 Y60 R77 Y81	G55-S57 PolarHBondContact O-N 2.75Å; S57-Y60 VanDerWaalsContact C-OH 3.28Å; S57-Y60 VanDerWaalsContact O-CE2 3.3Å; S57-Y60 WeakPolarHBondContact O-CE2 3.26Å; S57-Y60 PolarHBondContact O-OH 3.42Å; S57-R77 VanDerWaalsContact OG-C 3.22Å; S57-R77 PolarHBondContact OG-N 2.79Å; S57-R77 PolarHBondContact OG-O 2.69Å; S57-Y81 WeakPolarHBondContact CB-OH 3.37Å; S57-Y81 PolarHBondContact N-OH 2.94Å; S57-Y81 VanDerWaalsContact N-OH 3.1Å
58	Q	89.3	Confident	86.4	Confident	80 Å²	80	51.2 Å²	51.2	37%	0.374	30%	0.299	S	S	.	.			trans	-136.7	173.1	177.6	-67.6	173.6	-11.9	0	0	109.1	R77 H499	Q58-R77 WeakPolarHBondContact O-CB 3.48Å; Q58-R77 PolarHBondContact O-N 2.8Å; Q58-H499 CarbonylContact C-O 3.59Å; Q58-H499 VanDerWaalsContact CA-O 3.26Å; Q58-H499 WeakPolarHBondContact CA-O 3.43Å; Q58-H499 PolarHBondContact OE1-CE1 3.48Å
59	N	92.4	Very high	87.9	Confident	30 Å²	30	50.9 Å²	50.9	16%	0.16	29%	0.293	C	S	.	.			trans	53.9	62.8	174.9	-60.3	106.6	0	0	0	113	S61 G76 R77 E483 H499	N59-S61 PolarHBondContact O-N 3.16Å; N59-S61 PolarHBondContact O-OG 3.37Å; N59-G76 WeakPolarHBondContact O-CA 3.25Å; N59-R77 HydrophobicContact CB-CB 4.39Å; N59-E483 WeakPolarHBondContact CA-OE2 3.29Å; N59-E483 PolarHBondContact ND2-OE1 2.69Å; N59-H499 VanDerWaalsContact CG-ND1 3.3Å; N59-H499 PolarHBondContact N-O 2.95Å; N59-H499 PolarHBondContact ND2-ND1 2.84Å; N59-H499 PolarHBondContact OD1-ND1 3.26Å
60	Y	95.2	Very high	89.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.266	C	S	.	.			trans	-74.9	65.5	-178.5	-61.2	-100.7	0	0	0	109.9	F53 G55 S57 V74 Y81 E483 S484 G497 S498 G501 V502	F53-Y60 HydrophobicContact CD1-CE1 4.34Å; F53-Y60 HydrophobicContact CE1-CE1 4.05Å; G55-Y60 WeakPolarHBondContact CA-OH 3.41Å; G55-Y60 PolarHBondContact N-OH 2.87Å; G55-Y60 PolarHBondContact O-OH 3.07Å; S57-Y60 VanDerWaalsContact C-OH 3.28Å; S57-Y60 VanDerWaalsContact O-CE2 3.3Å; S57-Y60 WeakPolarHBondContact O-CE2 3.26Å; S57-Y60 PolarHBondContact O-OH 3.42Å; Y60-V74 HydrophobicContact CD1-CG1 3.77Å; Y60-Y81 HydrophobicContact CD1-CE2 4.38Å; Y60-Y81 HydrophobicContact CE1-CD2 4.08Å; Y60-Y81 AromaticContact CE1-CE2 3.62Å; Y60-Y81 HydrophobicContact CE1-CE2 3.62Å; Y60-E483 PolarHBondContact N-OE2 2.94Å; Y60-S484 PolarHBondContact O-OG 3.45Å; Y60-G497 CarbonylContact O-C 3.58Å; Y60-G497 WeakPolarHBondContact O-CA 3.39Å; Y60-S498 WeakPolarHBondContact CB-O 3.37Å; Y60-S498 WeakPolarHBondContact CD2-O 3.49Å; Y60-S498 PolarHBondContact N-O 3.19Å; Y60-G501 VanDerWaalsContact CD2-CA 3.42Å; Y60-G501 VanDerWaalsContact CD2-N 3.31Å; Y60-G501 VanDerWaalsContact CE2-CA 3.48Å; Y60-V502 HydrophobicContact CD1-CG2 3.88Å; Y60-V502 HydrophobicContact CG-CG2 4.05Å
61	S	94.2	Very high	90.9	Very high	26 Å²	26	49 Å²	49	18%	0.182	27%	0.274	C	S	.	.			trans	-94.9	-8.7	-162.5	53.6	0	0	0	0	114.7	N59 G75 E483	N59-S61 PolarHBondContact O-N 3.16Å; N59-S61 PolarHBondContact O-OG 3.37Å; S61-G75 PolarHBondContact N-O 2.94Å; S61-E483 WeakPolarHBondContact CB-OE2 3.37Å; S61-E483 PolarHBondContact N-OE2 2.89Å
62	T	96.3	Very high	91.5	Very high	21 Å²	21	46.6 Å²	46.6	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.7	176	-51.2	0	0	0	0	110.2	G75 I123 L126	T62-G75 PolarHBondContact N-O 2.02Å; T62-G75 PolarHBondContact O-N 2.79Å; T62-I123 PolarHBondContact OG1-O 2.84Å; T62-L126 HydrophobicContact CG2-CB 3.68Å; T62-L126 HydrophobicContact CG2-CD2 4.31Å
63	L	97.3	Very high	92	Very high	24 Å²	24	46 Å²	46	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.2	175.7	-62.2	174.5	0	0	0	110	L72 V74 S484 V486 Y495 V502	L63-L72 HydrophobicContact CB-CD1 4.35Å; L63-L72 HydrophobicContact CD2-CD1 4.31Å; L63-V74 HydrophobicContact CD2-CB 4.14Å; L63-V74 HydrophobicContact CD2-CG1 3.8Å; L63-V74 HydrophobicContact CD2-CG2 3.67Å; L63-S484 VanDerWaalsContact CD1-OG 3.27Å; L63-S484 WeakPolarHBondContact CD1-OG 3.48Å; L63-S484 WeakPolarHBondContact CG-OG 3.38Å; L63-V486 HydrophobicContact CB-CG1 4.02Å; L63-V486 HydrophobicContact CB-CG2 4.06Å; L63-V486 HydrophobicContact CD1-CG2 4Å; L63-Y495 WeakPolarHBondContact CD1-O 3.46Å; L63-V502 HydrophobicContact CD2-CG2 4.27Å
64	L	97.3	Very high	92.3	Very high	31 Å²	31	45.1 Å²	45.1	16%	0.162	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	111.9	169.9	171	70.3	0	0	0	107.9	Y73 L126 L134	L64-Y73 HydrophobicContact CD2-CD2 4.09Å; L64-Y73 HydrophobicContact CG-CD2 4.42Å; L64-Y73 PolarHBondContact N-O 2.87Å; L64-Y73 PolarHBondContact O-N 3.09Å; L64-L126 HydrophobicContact CB-CD2 4.16Å; L64-L126 HydrophobicContact CB-CG 3.95Å; L64-L126 HydrophobicContact CD2-CD1 4.45Å; L64-L126 HydrophobicContact CD2-CG 4.2Å; L64-L134 HydrophobicContact CD2-CD2 3.92Å
65	L	96.7	Very high	92.7	Very high	35 Å²	35	40.2 Å²	40.2	18%	0.183	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.9	177.4	173	66.7	0	0	0	109.8	E67 L72 T85 V486 T487 Y495	L65-E67 HydrophobicContact CD2-CG 4.12Å; L65-E67 HydrophobicContact CG-CG 4.17Å; L65-L72 HydrophobicContact CB-CD1 4.2Å; L65-L72 HydrophobicContact CD1-CD1 4.49Å; L65-T85 HydrophobicContact CD1-CG2 3.54Å; L65-V486 HydrophobicContact CB-CB 4.39Å; L65-V486 HydrophobicContact CB-CG2 4Å; L65-V486 HydrophobicContact CD2-CG2 4.49Å; L65-T487 WeakPolarHBondContact CD2-O 3.42Å; L65-Y495 HydrophobicContact CD1-CD2 4.46Å; L65-Y495 HydrophobicContact CD1-CE2 4.13Å
66	E	94.2	Very high	93.2	Very high	28 Å²	28	39.1 Å²	39.1	13%	0.131	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	102.8	169.8	-67.7	-176.8	175.5	0	0	108.8	T69 G70 R71 Y73 R128	E66-T69 WeakPolarHBondContact CB-OG1 3.31Å; E66-T69 PolarHBondContact O-OG1 3.24Å; E66-T69 PolarHBondContact OE2-OG1 2.58Å; E66-G70 PolarHBondContact O-N 3.47Å; E66-G70 VanDerWaalsContact O-N 3.15Å; E66-R71 PolarHBondContact N-O 2.8Å; E66-R71 PolarHBondContact O-N 2.87Å; E66-R71 VanDerWaalsContact O-N 3.11Å; E66-Y73 HydrophobicContact CG-CE2 4.49Å; E66-R128 VanDerWaalsContact CD-NH2 3.28Å; E66-R128 IonicContact OE1-CZ 3.91Å; E66-R128 VanDerWaalsContact OE1-CZ 3.27Å; E66-R128 IonicContact OE1-NE 3.14Å; E66-R128 PolarHBondContact OE1-NE 2.92Å; E66-R128 IonicContact OE1-NH2 3.35Å; E66-R128 PolarHBondContact OE1-NH2 3.18Å; E66-R128 IonicContact OE2-CZ 3.65Å; E66-R128 IonicContact OE2-NE 3.79Å; E66-R128 IonicContact OE2-NH2 2.75Å; E66-R128 PolarHBondContact OE2-NH2 2.74Å
67	E	91.1	Very high	93.8	Very high	68 Å²	68	36.5 Å²	36.5	32%	0.318	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-39.6	-174.4	-60.7	-160.7	104.3	0	0	112.5	L65 T69 G70 S488 A489 V490	L65-E67 HydrophobicContact CD2-CG 4.12Å; L65-E67 HydrophobicContact CG-CG 4.17Å; E67-T69 PolarHBondContact O-N 3.09Å; E67-G70 PolarHBondContact O-N 2.84Å; E67-S488 VanDerWaalsContact OE1-C 3.28Å; E67-S488 WeakPolarHBondContact OE1-CA 3.42Å; E67-S488 VanDerWaalsContact OE1-CB 3.26Å; E67-S488 WeakPolarHBondContact OE1-CB 3.49Å; E67-S488 PolarHBondContact OE1-OG 3.07Å; E67-A489 PolarHBondContact OE1-N 3.1Å; E67-V490 HydrophobicContact CB-CB 4.36Å; E67-V490 HydrophobicContact CB-CG2 4Å; E67-V490 HydrophobicContact CG-CG2 4.46Å; E67-V490 PolarHBondContact OE1-N 2.89Å
68	E	89.1	Confident	94.2	Very high	200 Å²	200	35.9 Å²	35.9	94%	0.935	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-38.2	-177.7	-61.1	-178	172.8	0	0	112.9
69	T	89.4	Confident	94.5	Very high	80 Å²	80	32.1 Å²	32.1	49%	0.491	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.9	178.2	62.6	0	0	0	0	112.6	E66 E67 R71	E66-T69 WeakPolarHBondContact CB-OG1 3.31Å; E66-T69 PolarHBondContact O-OG1 3.24Å; E66-T69 PolarHBondContact OE2-OG1 2.58Å; E67-T69 PolarHBondContact O-N 3.09Å; T69-R71 PolarHBondContact O-N 3.27Å
70	G	92.1	Very high	94.7	Very high	15 Å²	15	30.8 Å²	30.8	16%	0.155	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	24.4	-175.1	0	0	0	0	0	113.9	E66 E67 T85	E66-G70 PolarHBondContact O-N 3.47Å; E66-G70 VanDerWaalsContact O-N 3.15Å; E67-G70 PolarHBondContact O-N 2.84Å; G70-T85 VanDerWaalsContact C-CG2 3.47Å; G70-T85 VanDerWaalsContact CA-OG1 3.29Å; G70-T85 WeakPolarHBondContact CA-OG1 3.37Å; G70-T85 WeakPolarHBondContact O-CB 3.31Å; G70-T85 VanDerWaalsContact O-CG2 3.31Å; G70-T85 WeakPolarHBondContact O-CG2 3.49Å; G70-T85 PolarHBondContact O-N 2.74Å; G70-T85 PolarHBondContact O-OG1 3.03Å
71	R	93.6	Very high	94.7	Very high	72 Å²	72	30.8 Å²	30.8	27%	0.272	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.4	-175.4	-67.4	-62.8	-169.7	153.6	5.5	112.8	E66 T69 Y73 T85	E66-R71 PolarHBondContact N-O 2.8Å; E66-R71 PolarHBondContact O-N 2.87Å; E66-R71 VanDerWaalsContact O-N 3.11Å; T69-R71 PolarHBondContact O-N 3.27Å; R71-Y73 HydrophobicContact CB-CD2 4.3Å; R71-Y73 HydrophobicContact CB-CE2 3.77Å; R71-Y73 HydrophobicContact CG-CE2 4.42Å; R71-T85 VanDerWaalsContact C-CG2 3.45Å
72	L	96.3	Very high	94.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106	165.8	178	68.1	0	0	0	108.2	L63 L65 V74 L83 T85 I88 V486 Y495 V502	L63-L72 HydrophobicContact CB-CD1 4.35Å; L63-L72 HydrophobicContact CD2-CD1 4.31Å; L65-L72 HydrophobicContact CB-CD1 4.2Å; L65-L72 HydrophobicContact CD1-CD1 4.49Å; L72-V74 HydrophobicContact CD2-CG2 4.28Å; L72-V74 HydrophobicContact CG-CG2 3.97Å; L72-L83 HydrophobicContact CB-CB 4.35Å; L72-L83 HydrophobicContact CD2-CD1 4.31Å; L72-L83 PolarHBondContact N-O 2.95Å; L72-L83 PolarHBondContact O-N 3.43Å; L72-T85 HydrophobicContact CB-CG2 3.96Å; L72-I88 HydrophobicContact CD2-CG2 4.24Å; L72-V486 HydrophobicContact CD1-CG2 3.95Å; L72-Y495 HydrophobicContact CD1-CG 4.5Å; L72-Y495 HydrophobicContact CD2-CD1 3.62Å; L72-Y495 HydrophobicContact CD2-CD2 4.42Å; L72-Y495 HydrophobicContact CD2-CE1 4.39Å; L72-Y495 HydrophobicContact CD2-CG 3.64Å; L72-V502 HydrophobicContact CD2-CG1 4.31Å
73	Y	96.9	Very high	94.6	Very high	6 Å²	6	28.6 Å²	28.6	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.5	173.6	-59.7	-75.5	0	0	0	109.7	L64 E66 R71 Y81 A82 L134 A151 F154	L64-Y73 HydrophobicContact CD2-CD2 4.09Å; L64-Y73 HydrophobicContact CG-CD2 4.42Å; L64-Y73 PolarHBondContact N-O 2.87Å; L64-Y73 PolarHBondContact O-N 3.09Å; E66-Y73 HydrophobicContact CG-CE2 4.49Å; R71-Y73 HydrophobicContact CB-CD2 4.3Å; R71-Y73 HydrophobicContact CB-CE2 3.77Å; R71-Y73 HydrophobicContact CG-CE2 4.42Å; Y73-Y81 CarbonylContact C-O 3.59Å; Y73-Y81 WeakPolarHBondContact CA-O 3.28Å; Y73-A82 HydrophobicContact CD1-CB 3.57Å; Y73-A82 HydrophobicContact CE1-CB 3.54Å; Y73-L134 HydrophobicContact CD1-CD1 3.7Å; Y73-L134 HydrophobicContact CD2-CD1 4.02Å; Y73-L134 HydrophobicContact CD2-CD2 4.4Å; Y73-L134 HydrophobicContact CE1-CD1 3.78Å; Y73-L134 HydrophobicContact CE2-CD1 4.11Å; Y73-L134 HydrophobicContact CE2-CD2 4.23Å; Y73-L134 HydrophobicContact CG-CD1 3.81Å; Y73-A151 PolarHBondContact OH-O 3.14Å; Y73-F154 HydrophobicContact CD1-CD2 4.09Å; Y73-F154 AromaticContact CD1-CE2 3.5Å; Y73-F154 HydrophobicContact CD1-CE2 3.5Å; Y73-F154 HydrophobicContact CD1-CZ 4.24Å; Y73-F154 AromaticContact CE1-CD2 3.82Å; Y73-F154 HydrophobicContact CE1-CD2 3.82Å; Y73-F154 AromaticContact CE1-CE2 3.73Å; Y73-F154 HydrophobicContact CE1-CE2 3.73Å
74	V	96.8	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.1	-171.1	-174.6	0	0	0	0	110.3	Y60 L63 L72 L80 Y81 L83 V502	Y60-V74 HydrophobicContact CD1-CG1 3.77Å; L63-V74 HydrophobicContact CD2-CB 4.14Å; L63-V74 HydrophobicContact CD2-CG1 3.8Å; L63-V74 HydrophobicContact CD2-CG2 3.67Å; L72-V74 HydrophobicContact CD2-CG2 4.28Å; L72-V74 HydrophobicContact CG-CG2 3.97Å; V74-L80 CarbonylContact O-C 3.59Å; V74-L80 VanDerWaalsContact O-CA 3.31Å; V74-L80 WeakPolarHBondContact O-CA 3.35Å; V74-Y81 HydrophobicContact CB-CD2 4.45Å; V74-Y81 PolarHBondContact N-O 3.4Å; V74-Y81 PolarHBondContact O-N 3Å; V74-L83 HydrophobicContact CG2-CD1 3.64Å; V74-L83 HydrophobicContact CG2-CG 4.01Å; V74-V502 HydrophobicContact CG1-CG2 3.82Å; V74-V502 HydrophobicContact CG2-CG2 4.38Å
75	G	96.7	Very high	94.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124	173.3	0	0	0	0	0	111.8	S61 T62	S61-G75 PolarHBondContact N-O 2.94Å; T62-G75 PolarHBondContact N-O 2.02Å; T62-G75 PolarHBondContact O-N 2.79Å
76	G	94.9	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.			trans	-119.5	-160.2	178.9	0	0	0	0	0	114	N59 G78 A79 I123	N59-G76 WeakPolarHBondContact O-CA 3.25Å; G76-G78 PolarHBondContact O-N 2.62Å; G76-A79 PolarHBondContact N-O 3.36Å; G76-I123 WeakPolarHBondContact O-CG1 3.48Å; G76-I123 PolarHBondContact O-N 2.87Å; G76-I123 VanDerWaalsContact O-N 3.09Å
77	R	95.1	Very high	93.8	Very high	38 Å²	38	31.9 Å²	31.9	14%	0.143	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-81	96.1	169.3	179.6	-170.8	172	165.1	8	110.3	S57 Q58 N59 A79 Q116 H120 N121	S57-R77 VanDerWaalsContact OG-C 3.22Å; S57-R77 PolarHBondContact OG-N 2.79Å; S57-R77 PolarHBondContact OG-O 2.69Å; Q58-R77 WeakPolarHBondContact O-CB 3.48Å; Q58-R77 PolarHBondContact O-N 2.8Å; N59-R77 HydrophobicContact CB-CB 4.39Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-A79 PolarHBondContact O-N 2.77Å; R77-Q116 VanDerWaalsContact CZ-O 3.32Å; R77-Q116 PolarHBondContact NH1-O 2.91Å; R77-Q116 PolarHBondContact NH2-O 3.29Å; R77-H120 HydrophobicContact CG-CB 3.93Å; R77-H120 PolarHBondContact NH2-CD2 2.77Å; R77-H120 PolarHBondContact NH2-NE2 3.15Å; R77-N121 CarbonylContact C-O 3.59Å
78	G	94.3	Very high	93.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	78.6	14.2	172.7	0	0	0	0	0	114.5	G76 W98 N99 N121	G76-G78 PolarHBondContact O-N 2.62Å; G78-W98 CarbonylContact O-C 3.27Å; G78-W98 VanDerWaalsContact O-C 3.32Å; G78-W98 PolarHBondContact O-N 2.96Å; G78-N99 PolarHBondContact O-N 3.46Å; G78-N99 PolarHBondContact O-ND2 3.39Å; G78-N121 WeakPolarHBondContact CA-O 3.29Å; G78-N121 PolarHBondContact N-O 3Å
79	A	95.1	Very high	93.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.6	174.7	0	0	0	0	0	112.1	G76 R77 Y81 I96	G76-A79 PolarHBondContact N-O 3.36Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-A79 PolarHBondContact O-N 2.77Å; A79-Y81 HydrophobicContact CB-CE1 4.45Å; A79-Y81 HydrophobicContact CB-CE2 3.9Å; A79-Y81 WeakPolarHBondContact CB-OH 3.41Å; A79-I96 CarbonylContact C-O 3.43Å; A79-I96 VanDerWaalsContact CA-O 3.27Å; A79-I96 WeakPolarHBondContact CA-O 3.45Å
80	L	96.2	Very high	93.2	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.4	169.6	-71.7	150.5	0	0	0	109.2	V74 T95 I96 W98 I123 L126 V136 I149 F154	V74-L80 CarbonylContact O-C 3.59Å; V74-L80 VanDerWaalsContact O-CA 3.31Å; V74-L80 WeakPolarHBondContact O-CA 3.35Å; L80-T95 WeakPolarHBondContact O-CA 3.37Å; L80-I96 HydrophobicContact CB-CB 4.31Å; L80-I96 PolarHBondContact N-O 3Å; L80-I96 PolarHBondContact O-N 3.34Å; L80-W98 HydrophobicContact CD1-CE3 3.97Å; L80-I123 HydrophobicContact CD1-CD1 4.27Å; L80-I123 HydrophobicContact CD2-CD1 4.27Å; L80-I123 HydrophobicContact CD2-CG1 3.98Å; L80-I123 HydrophobicContact CD2-CG2 4.18Å; L80-I123 HydrophobicContact CG-CD1 4.14Å; L80-I123 HydrophobicContact CG-CG1 4.11Å; L80-L126 HydrophobicContact CD2-CD1 4.32Å; L80-L126 HydrophobicContact CD2-CD2 4.35Å; L80-V136 HydrophobicContact CD1-CG1 4.03Å; L80-V136 HydrophobicContact CD2-CG1 3.84Å; L80-I149 HydrophobicContact CD1-CD1 3.61Å; L80-F154 HydrophobicContact CB-CE1 4.32Å; L80-F154 HydrophobicContact CB-CZ 3.94Å
81	Y	95.1	Very high	91.7	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.7	178.8	-51.5	-82.5	0	0	0	111.3	F53 S56 S57 Y60 Y73 V74 A79 L94 T95 F154	F53-Y81 AromaticContact CE1-CD1 3.9Å; F53-Y81 HydrophobicContact CE1-CD1 3.9Å; F53-Y81 AromaticContact CE1-CD2 3.85Å; F53-Y81 HydrophobicContact CE1-CD2 3.85Å; F53-Y81 HydrophobicContact CE1-CE1 4.22Å; F53-Y81 HydrophobicContact CE1-CE2 4.17Å; F53-Y81 AromaticContact CE1-CG 3.71Å; F53-Y81 HydrophobicContact CE1-CG 3.71Å; F53-Y81 AromaticContact CZ-CD1 3.58Å; F53-Y81 HydrophobicContact CZ-CD1 3.58Å; F53-Y81 HydrophobicContact CZ-CD2 4.38Å; F53-Y81 AromaticContact CZ-CE1 3.86Å; F53-Y81 HydrophobicContact CZ-CE1 3.86Å; F53-Y81 AromaticContact CZ-CG 3.87Å; F53-Y81 HydrophobicContact CZ-CG 3.87Å; S56-Y81 PolarHBondContact N-OH 2.98Å; S56-Y81 PolarHBondContact OG-OH 3.33Å; S57-Y81 WeakPolarHBondContact CB-OH 3.37Å; S57-Y81 PolarHBondContact N-OH 2.94Å; S57-Y81 VanDerWaalsContact N-OH 3.1Å; Y60-Y81 HydrophobicContact CD1-CE2 4.38Å; Y60-Y81 HydrophobicContact CE1-CD2 4.08Å; Y60-Y81 AromaticContact CE1-CE2 3.62Å; Y60-Y81 HydrophobicContact CE1-CE2 3.62Å; Y73-Y81 CarbonylContact C-O 3.59Å; Y73-Y81 WeakPolarHBondContact CA-O 3.28Å; V74-Y81 HydrophobicContact CB-CD2 4.45Å; V74-Y81 PolarHBondContact N-O 3.4Å; V74-Y81 PolarHBondContact O-N 3Å; A79-Y81 HydrophobicContact CB-CE1 4.45Å; A79-Y81 HydrophobicContact CB-CE2 3.9Å; A79-Y81 WeakPolarHBondContact CB-OH 3.41Å; Y81-L94 CarbonylContact C-O 3.53Å; Y81-L94 WeakPolarHBondContact CA-O 3.22Å; Y81-T95 HydrophobicContact CD1-CG2 3.73Å; Y81-T95 WeakPolarHBondContact CD1-OG1 3.49Å; Y81-T95 HydrophobicContact CE1-CG2 3.45Å; Y81-T95 VanDerWaalsContact CE1-CG2 3.45Å; Y81-F154 VanDerWaalsContact C-CZ 3.47Å
82	A	94.9	Very high	90	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	95.4	169.7	0	0	0	0	0	110.1	Y73 L94 F154	Y73-A82 HydrophobicContact CD1-CB 3.57Å; Y73-A82 HydrophobicContact CE1-CB 3.54Å; A82-L94 HydrophobicContact CB-CB 4.27Å; A82-L94 PolarHBondContact N-O 2.66Å; A82-F154 HydrophobicContact CB-CD1 4.02Å; A82-F154 HydrophobicContact CB-CD2 3.81Å; A82-F154 HydrophobicContact CB-CE1 4.01Å; A82-F154 HydrophobicContact CB-CE2 3.83Å; A82-F154 HydrophobicContact CB-CG 3.9Å; A82-F154 HydrophobicContact CB-CZ 3.9Å
83	L	93.9	Very high	88.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	153.4	-175.5	-44.6	-179.1	0	0	0	110.9	F53 L72 V74 I88 N93	F53-L83 HydrophobicContact CB-CD1 4.11Å; F53-L83 HydrophobicContact CD1-CD1 3.74Å; F53-L83 HydrophobicContact CD1-CD2 3.87Å; F53-L83 HydrophobicContact CD1-CG 4.48Å; F53-L83 HydrophobicContact CD2-CD2 3.98Å; F53-L83 HydrophobicContact CE1-CD1 4.38Å; F53-L83 HydrophobicContact CE1-CD2 3.85Å; F53-L83 HydrophobicContact CE2-CD2 3.98Å; F53-L83 HydrophobicContact CG-CD1 3.91Å; F53-L83 HydrophobicContact CG-CD2 3.93Å; F53-L83 HydrophobicContact CZ-CD2 3.9Å; L72-L83 HydrophobicContact CB-CB 4.35Å; L72-L83 HydrophobicContact CD2-CD1 4.31Å; L72-L83 PolarHBondContact N-O 2.95Å; L72-L83 PolarHBondContact O-N 3.43Å; V74-L83 HydrophobicContact CG2-CD1 3.64Å; V74-L83 HydrophobicContact CG2-CG 4.01Å; L83-I88 HydrophobicContact CB-CB 4.4Å; L83-I88 HydrophobicContact CB-CG2 4.19Å; L83-I88 HydrophobicContact CD1-CB 4.14Å; L83-I88 HydrophobicContact CD1-CG2 4.25Å; L83-N93 HydrophobicContact CD2-CB 3.93Å; L83-N93 VanDerWaalsContact CD2-CG 3.43Å; L83-N93 VanDerWaalsContact CD2-ND2 3.33Å; L83-N93 WeakPolarHBondContact CD2-ND2 3.42Å
84	N	93.1	Very high	88.2	Confident	69 Å²	69	30.4 Å²	30.4	37%	0.369	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.8	168.2	-171.4	-29	0	0	0	109.7	S86 N87 I88	N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact O-N 3.21Å; N84-S86 PolarHBondContact OD1-N 3.29Å; N84-S86 PolarHBondContact OD1-OG 3.43Å; N84-N87 CarbonylContact O-C 3.53Å; N84-N87 PolarHBondContact O-N 3.32Å; N84-I88 WeakPolarHBondContact O-CG2 3.36Å; N84-I88 PolarHBondContact O-N 3.29Å
85	T	93.4	Very high	88	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-64.5	-29.3	-177.7	54.5	0	0	0	0	113.9	L65 G70 R71 L72 Q491 Y495 Q504	L65-T85 HydrophobicContact CD1-CG2 3.54Å; G70-T85 VanDerWaalsContact C-CG2 3.47Å; G70-T85 VanDerWaalsContact CA-OG1 3.29Å; G70-T85 WeakPolarHBondContact CA-OG1 3.37Å; G70-T85 WeakPolarHBondContact O-CB 3.31Å; G70-T85 VanDerWaalsContact O-CG2 3.31Å; G70-T85 WeakPolarHBondContact O-CG2 3.49Å; G70-T85 PolarHBondContact O-N 2.74Å; G70-T85 PolarHBondContact O-OG1 3.03Å; R71-T85 VanDerWaalsContact C-CG2 3.45Å; L72-T85 HydrophobicContact CB-CG2 3.96Å; T85-Q491 PolarHBondContact OG1-NE2 2.78Å; T85-Y495 WeakPolarHBondContact CB-OH 3.5Å; T85-Y495 PolarHBondContact O-OH 3.45Å; T85-Q504 PolarHBondContact O-NE2 2.93Å
86	S	91.1	Very high	87.9	Confident	62 Å²	62	34.1 Å²	34.1	43%	0.434	21%	0.214	S	C	.	.	S	Bend	trans	-71.9	-34.4	179.5	66.5	0	0	0	0	112.6	N84 Q504	N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact O-N 3.21Å; N84-S86 PolarHBondContact OD1-N 3.29Å; N84-S86 PolarHBondContact OD1-OG 3.43Å; S86-Q504 PolarHBondContact O-NE2 3.16Å
87	N	90.4	Very high	87.9	Confident	56 Å²	56	39.1 Å²	39.1	30%	0.299	24%	0.241	S	C	.	.			trans	-151.6	103.9	170.6	-175.4	-16	0	0	0	111.5	N51 N84 S89 T90	N51-N87 PolarHBondContact ND2-OD1 3.06Å; N84-N87 CarbonylContact O-C 3.53Å; N84-N87 PolarHBondContact O-N 3.32Å; N87-S89 VanDerWaalsContact C-N 3.26Å; N87-S89 PolarHBondContact O-N 2.94Å; N87-S89 WeakPolarHBondContact OD1-CB 3.39Å; N87-S89 PolarHBondContact OD1-N 2.98Å; N87-T90 PolarHBondContact O-N 2.98Å; N87-T90 PolarHBondContact O-OG1 3.09Å
88	I	91.9	Very high	87.9	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.6	-178.5	61.8	163.5	0	0	0	114.4	N51 F53 L72 L83 N84 T90 N93 Y495 V502 Q504	N51-I88 HydrophobicContact CB-CG1 3.99Å; F53-I88 HydrophobicContact CB-CB 4.32Å; F53-I88 HydrophobicContact CB-CD1 4Å; F53-I88 HydrophobicContact CB-CG1 4.29Å; L72-I88 HydrophobicContact CD2-CG2 4.24Å; L83-I88 HydrophobicContact CB-CB 4.4Å; L83-I88 HydrophobicContact CB-CG2 4.19Å; L83-I88 HydrophobicContact CD1-CB 4.14Å; L83-I88 HydrophobicContact CD1-CG2 4.25Å; N84-I88 WeakPolarHBondContact O-CG2 3.36Å; N84-I88 PolarHBondContact O-N 3.29Å; I88-T90 VanDerWaalsContact C-N 3.28Å; I88-T90 PolarHBondContact O-N 3.23Å; I88-N93 PolarHBondContact O-ND2 3.2Å; I88-N93 VanDerWaalsContact O-ND2 3.1Å; I88-Y495 HydrophobicContact CG2-CD1 4Å; I88-Y495 HydrophobicContact CG2-CE1 3.91Å; I88-V502 HydrophobicContact CD1-CB 4.45Å; I88-V502 HydrophobicContact CD1-CG1 4.14Å; I88-V502 WeakPolarHBondContact CD1-O 3.36Å; I88-Q504 HydrophobicContact CD1-CB 3.86Å; I88-Q504 HydrophobicContact CG1-CB 3.96Å
89	S	87.8	Confident	87.9	Confident	55 Å²	55	42 Å²	42	39%	0.385	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.1	-179.6	-56.2	0	0	0	0	113.7	G52 N87	G52-S89 PolarHBondContact N-OG 2.99Å; G52-S89 VanDerWaalsContact N-OG 3.07Å; G52-S89 WeakPolarHBondContact O-CB 3.23Å; G52-S89 PolarHBondContact O-OG 3.29Å; N87-S89 VanDerWaalsContact C-N 3.26Å; N87-S89 PolarHBondContact O-N 2.94Å; N87-S89 WeakPolarHBondContact OD1-CB 3.39Å; N87-S89 PolarHBondContact OD1-N 2.98Å
90	T	78.3	Confident	87.9	Confident	58 Å²	58	42.1 Å²	42.1	36%	0.356	26%	0.259	S	S	.	.			trans	-64.6	132.4	-176.8	-47.6	0	0	0	0	111.3	N87 I88 A92 N93	N87-T90 PolarHBondContact O-N 2.98Å; N87-T90 PolarHBondContact O-OG1 3.09Å; I88-T90 VanDerWaalsContact C-N 3.28Å; I88-T90 PolarHBondContact O-N 3.23Å; T90-A92 PolarHBondContact O-N 2.99Å; T90-A92 VanDerWaalsContact O-N 3.13Å; T90-N93 PolarHBondContact O-ND2 2.69Å; T90-N93 PolarHBondContact O-OD1 2.78Å
91	S	59.3	Low	87.9	Confident	126 Å²	126	44.4 Å²	44.4	88%	0.881	28%	0.275	S	S	*	.	S	Bend	trans	-70.2	-8.6	-173.8	53.8	0	0	0	0	115.9	N93	S91-N93 PolarHBondContact O-N 2.89Å
92	A	58.3	Low	87.9	Confident	81 Å²	81	48.9 Å²	48.9	67%	0.669	30%	0.304	S	S	*	.			trans	-79.2	27.7	178.4	0	0	0	0	0	113.9	T90 L94	T90-A92 PolarHBondContact O-N 2.99Å; T90-A92 VanDerWaalsContact O-N 3.13Å; A92-L94 PolarHBondContact O-N 3.2Å
93	N	68.7	Low	87.9	Confident	24 Å²	24	54.3 Å²	54.3	13%	0.128	33%	0.33	C	S	.	.			trans	-80	112.9	-175.2	-72.4	-24.1	0	0	0	111.1	F53 L83 I88 T90 S91 T95	F53-N93 WeakPolarHBondContact CD2-ND2 3.24Å; F53-N93 HydrophobicContact CE2-CB 4.45Å; F53-N93 WeakPolarHBondContact CE2-ND2 3.26Å; L83-N93 HydrophobicContact CD2-CB 3.93Å; L83-N93 VanDerWaalsContact CD2-CG 3.43Å; L83-N93 VanDerWaalsContact CD2-ND2 3.33Å; L83-N93 WeakPolarHBondContact CD2-ND2 3.42Å; I88-N93 PolarHBondContact O-ND2 3.2Å; I88-N93 VanDerWaalsContact O-ND2 3.1Å; T90-N93 PolarHBondContact O-ND2 2.69Å; T90-N93 PolarHBondContact O-OD1 2.78Å; S91-N93 PolarHBondContact O-N 2.89Å; N93-T95 PolarHBondContact O-N 3.4Å; N93-T95 PolarHBondContact O-OG1 3.21Å
94	L	86.6	Confident	88	Confident	65 Å²	65	54.7 Å²	54.7	34%	0.34	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.3	175.8	-54.2	172.7	0	0	0	109.1	Y81 A82 A92 F154	Y81-L94 CarbonylContact C-O 3.53Å; Y81-L94 WeakPolarHBondContact CA-O 3.22Å; A82-L94 HydrophobicContact CB-CB 4.27Å; A82-L94 PolarHBondContact N-O 2.66Å; A92-L94 PolarHBondContact O-N 3.2Å; L94-F154 HydrophobicContact CB-CB 3.71Å; L94-F154 HydrophobicContact CB-CD1 3.58Å; L94-F154 HydrophobicContact CB-CG 3.94Å; L94-F154 HydrophobicContact CD1-CB 3.6Å; L94-F154 HydrophobicContact CG-CB 4.28Å; L94-F154 WeakPolarHBondContact O-CE1 3.24Å
95	T	92.7	Very high	88.1	Confident	67 Å²	67	53.2 Å²	53.2	41%	0.411	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.2	-170.7	-59.6	0	0	0	0	110	L80 Y81 N93	L80-T95 WeakPolarHBondContact O-CA 3.37Å; Y81-T95 HydrophobicContact CD1-CG2 3.73Å; Y81-T95 WeakPolarHBondContact CD1-OG1 3.49Å; Y81-T95 HydrophobicContact CE1-CG2 3.45Å; Y81-T95 VanDerWaalsContact CE1-CG2 3.45Å; N93-T95 PolarHBondContact O-N 3.4Å; N93-T95 PolarHBondContact O-OG1 3.21Å
96	I	94.8	Very high	88.2	Confident	11 Å²	11	60 Å²	60	6%	0.056	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	112	171.6	-56.5	165.4	0	0	0	108	A79 L80 W98 I149 F154 F156	A79-I96 CarbonylContact C-O 3.43Å; A79-I96 VanDerWaalsContact CA-O 3.27Å; A79-I96 WeakPolarHBondContact CA-O 3.45Å; L80-I96 HydrophobicContact CB-CB 4.31Å; L80-I96 PolarHBondContact N-O 3Å; L80-I96 PolarHBondContact O-N 3.34Å; I96-W98 PolarHBondContact O-N 2.8Å; I96-I149 HydrophobicContact CD1-CD1 3.73Å; I96-I149 HydrophobicContact CD1-CG1 4.11Å; I96-I149 HydrophobicContact CD1-CG2 3.92Å; I96-F154 HydrophobicContact CD1-CD1 3.79Å; I96-F154 HydrophobicContact CD1-CD2 4.34Å; I96-F154 HydrophobicContact CD1-CE1 3.81Å; I96-F154 HydrophobicContact CD1-CE2 4.33Å; I96-F154 HydrophobicContact CD1-CG 4.09Å; I96-F154 HydrophobicContact CD1-CZ 4.1Å; I96-F154 WeakPolarHBondContact CD1-O 3.46Å; I96-F154 HydrophobicContact CG1-CD1 3.73Å; I96-F154 HydrophobicContact CG1-CE1 3.79Å; I96-F154 HydrophobicContact CG1-CG 4.44Å; I96-F154 VanDerWaalsContact CG1-O 3.24Å; I96-F154 WeakPolarHBondContact CG1-O 3.45Å; I96-F156 HydrophobicContact CG2-CD2 4.4Å; I96-F156 HydrophobicContact CG2-CE1 3.81Å; I96-F156 HydrophobicContact CG2-CE2 3.63Å; I96-F156 HydrophobicContact CG2-CZ 3.3Å
97	D	94.7	Very high	88.4	Confident	106 Å²	106	61.3 Å²	61.3	57%	0.567	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.6	168.9	-72.8	-55.1	0	0	0	109.8
98	W	95.3	Very high	88.6	Confident	14 Å²	14	58.7 Å²	58.7	5%	0.053	34%	0.336	C	S	.	.			trans	-125.7	56.7	-179.4	-167.5	18.9	0	0	0	111.2	G78 L80 I96 N121 I123 V136 L145 V147 F156 F160	G78-W98 CarbonylContact O-C 3.27Å; G78-W98 VanDerWaalsContact O-C 3.32Å; G78-W98 PolarHBondContact O-N 2.96Å; L80-W98 HydrophobicContact CD1-CE3 3.97Å; I96-W98 PolarHBondContact O-N 2.8Å; W98-N121 VanDerWaalsContact CD2-ND2 3.31Å; W98-N121 VanDerWaalsContact O-CB 3.29Å; W98-N121 WeakPolarHBondContact O-CB 3.29Å; W98-N121 PolarHBondContact O-ND2 3.05Å; W98-I123 HydrophobicContact CE3-CD1 3.49Å; W98-I123 VanDerWaalsContact CE3-CD1 3.49Å; W98-I123 HydrophobicContact CZ3-CD1 3.75Å; W98-V136 HydrophobicContact CZ3-CB 4.34Å; W98-V136 HydrophobicContact CZ3-CG1 4.01Å; W98-L145 HydrophobicContact CZ2-CB 3.85Å; W98-V147 HydrophobicContact CE3-CG1 4.45Å; W98-V147 HydrophobicContact CH2-CB 4.3Å; W98-V147 HydrophobicContact CH2-CG1 3.64Å; W98-V147 HydrophobicContact CZ2-CB 4.42Å; W98-V147 HydrophobicContact CZ2-CG1 4.04Å; W98-V147 HydrophobicContact CZ3-CG1 3.87Å; W98-F156 HydrophobicContact CB-CZ 4.04Å; W98-F156 AromaticContact CD1-CZ 3.97Å; W98-F156 HydrophobicContact CD2-CE1 4.21Å; W98-F156 HydrophobicContact CD2-CZ 4.22Å; W98-F156 HydrophobicContact CE3-CE1 4.49Å; W98-F156 HydrophobicContact CG-CE1 4.28Å; W98-F156 AromaticContact CG-CZ 3.82Å; W98-F156 HydrophobicContact CG-CZ 3.82Å; W98-F160 HydrophobicContact CD2-CE1 4.49Å; W98-F160 AromaticContact CE2-CE1 3.54Å; W98-F160 AromaticContact CZ2-CD1 3.74Å; W98-F160 HydrophobicContact CZ2-CD1 3.74Å; W98-F160 AromaticContact CZ2-CE1 3.72Å; W98-F160 HydrophobicContact CZ2-CE1 3.72Å; W98-F160 AromaticContact NE1-CD1 3.88Å; W98-F160 AromaticContact NE1-CE1 3.22Å; W98-F160 AromaticContact NE1-CZ 3.78Å
99	N	95	Very high	88.8	Confident	84 Å²	84	61.7 Å²	61.7	45%	0.449	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-74.8	144.8	-179.6	-103	-79.5	0	0	0	112.9	G78 K105	G78-N99 PolarHBondContact O-N 3.46Å; G78-N99 PolarHBondContact O-ND2 3.39Å; N99-K105 PolarHBondContact OD1-NZ 3.36Å
100	A	94.9	Very high	89.1	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.033	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-67.4	138	170.4	0	0	0	0	0	111	K105 N121 N140 A141	A100-K105 HydrophobicContact CB-CG 4.26Å; A100-K105 WeakPolarHBondContact O-CD 3.46Å; A100-K105 WeakPolarHBondContact O-CE 3.36Å; A100-K105 PolarHBondContact O-NZ 2.97Å; A100-K105 VanDerWaalsContact O-NZ 3.14Å; A100-N121 HydrophobicContact CB-CB 4.36Å; A100-N140 WeakPolarHBondContact CA-OD1 3.49Å; A100-N140 VanDerWaalsContact CB-OD1 3.29Å; A100-N140 WeakPolarHBondContact CB-OD1 3.04Å; A100-A141 HydrophobicContact CB-CB 3.9Å
101	S	95.3	Very high	89.7	Confident	48 Å²	48	68.3 Å²	68.3	34%	0.336	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-65.6	159	-173.9	91.9	0	0	0	0	113.1	E103 Q104 K105	S101-E103 WeakPolarHBondContact CB-OE2 3.06Å; S101-E103 PolarHBondContact O-N 2.64Å; S101-E103 PolarHBondContact OG-N 3.41Å; S101-E103 PolarHBondContact OG-OE2 2.76Å; S101-Q104 PolarHBondContact O-N 3.25Å; S101-Q104 PolarHBondContact OG-N 3.17Å; S101-K105 WeakPolarHBondContact O-CB 3.39Å; S101-K105 WeakPolarHBondContact O-CG 3.39Å; S101-K105 PolarHBondContact O-N 3.06Å
102	P	95.5	Very high	91.2	Very high	95 Å²	95	65.8 Å²	65.8	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-57.1	-36.2	177.4	-23.4	34.3	0	0	0	113.3	K106	P102-K106 WeakPolarHBondContact O-CB 3.48Å; P102-K106 PolarHBondContact O-N 2.67Å
103	E	95.4	Very high	92.9	Very high	115 Å²	115	64.4 Å²	64.4	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-71.5	-43.9	179.4	-50.8	65.4	-134.1	0	0	110.3	S101 K105 K106 Q107	S101-E103 WeakPolarHBondContact CB-OE2 3.06Å; S101-E103 PolarHBondContact O-N 2.64Å; S101-E103 PolarHBondContact OG-N 3.41Å; S101-E103 PolarHBondContact OG-OE2 2.76Å; E103-K105 VanDerWaalsContact C-N 3.34Å; E103-K106 PolarHBondContact O-N 3.49Å; E103-Q107 WeakPolarHBondContact O-CG 3.4Å; E103-Q107 PolarHBondContact O-N 3.49Å
104	Q	94.6	Very high	93.9	Very high	8 Å²	8	66.7 Å²	66.7	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-66.2	-38.4	177.1	-172.9	56.3	50.6	0	0	111.1	S101 Q107 C108 N140 A141 R143	S101-Q104 PolarHBondContact O-N 3.25Å; S101-Q104 PolarHBondContact OG-N 3.17Å; Q104-Q107 PolarHBondContact O-N 3.43Å; Q104-C108 WeakPolarHBondContact O-CB 3.18Å; Q104-C108 PolarHBondContact O-N 2.92Å; Q104-N140 WeakPolarHBondContact CG-O 3.15Å; Q104-A141 HydrophobicContact CG-CB 4.3Å; Q104-A141 PolarHBondContact NE2-O 2.71Å; Q104-R143 VanDerWaalsContact NE2-CB 3.3Å
105	K	95.5	Very high	94	Very high	38 Å²	38	67.6 Å²	67.6	17%	0.165	36%	0.364	C	S	.	.	H	α-helix	trans	-60.8	-50	170	-73.9	176.2	171.3	158.6	0	111	N99 A100 S101 E103 Q107 C108 L109 C119	N99-K105 PolarHBondContact OD1-NZ 3.36Å; A100-K105 HydrophobicContact CB-CG 4.26Å; A100-K105 WeakPolarHBondContact O-CD 3.46Å; A100-K105 WeakPolarHBondContact O-CE 3.36Å; A100-K105 PolarHBondContact O-NZ 2.97Å; A100-K105 VanDerWaalsContact O-NZ 3.14Å; S101-K105 WeakPolarHBondContact O-CB 3.39Å; S101-K105 WeakPolarHBondContact O-CG 3.39Å; S101-K105 PolarHBondContact O-N 3.06Å; E103-K105 VanDerWaalsContact C-N 3.34Å; K105-Q107 VanDerWaalsContact C-N 3.33Å; K105-Q107 PolarHBondContact O-N 2.94Å; K105-C108 WeakPolarHBondContact O-CA 3.47Å; K105-C108 VanDerWaalsContact O-CB 3.31Å; K105-C108 WeakPolarHBondContact O-CB 3.48Å; K105-C108 PolarHBondContact O-N 3.06Å; K105-L109 WeakPolarHBondContact O-CG 3.16Å; K105-L109 PolarHBondContact O-N 3.12Å; K105-C119 WeakPolarHBondContact CG-O 3.48Å
106	K	95.8	Very high	93.6	Very high	142 Å²	142	71.5 Å²	71.5	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-57.3	-41.9	175.5	-171.7	175.5	-177.8	177.2	0	112.5	P102 E103 C108 L109 N110	P102-K106 WeakPolarHBondContact O-CB 3.48Å; P102-K106 PolarHBondContact O-N 2.67Å; E103-K106 PolarHBondContact O-N 3.49Å; K106-C108 VanDerWaalsContact C-N 3.33Å; K106-C108 PolarHBondContact O-N 3.36Å; K106-L109 PolarHBondContact O-N 3.24Å; K106-N110 WeakPolarHBondContact O-CB 3.29Å; K106-N110 PolarHBondContact O-N 3.29Å; K106-N110 PolarHBondContact O-OD1 3.28Å
107	Q	95.3	Very high	93.3	Very high	91 Å²	91	74.3 Å²	74.3	43%	0.425	40%	0.395	S	S	.	.	H	α-helix	trans	-65.8	-32.5	174.4	-72.3	-179.5	26.5	0	0	113.4	E103 Q104 K105 K111	E103-Q107 WeakPolarHBondContact O-CG 3.4Å; E103-Q107 PolarHBondContact O-N 3.49Å; Q104-Q107 PolarHBondContact O-N 3.43Å; K105-Q107 VanDerWaalsContact C-N 3.33Å; K105-Q107 PolarHBondContact O-N 2.94Å; Q107-K111 WeakPolarHBondContact O-CG 3.38Å
108	C	95.1	Very high	93.2	Very high	0 Å²	0	71 Å²	71	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-67.8	-47.2	173.1	177.5	0	0	0	0	111.5	Q104 K105 K106 N110 K111 R113 C119 A141 F142	Q104-C108 WeakPolarHBondContact O-CB 3.18Å; Q104-C108 PolarHBondContact O-N 2.92Å; K105-C108 WeakPolarHBondContact O-CA 3.47Å; K105-C108 VanDerWaalsContact O-CB 3.31Å; K105-C108 WeakPolarHBondContact O-CB 3.48Å; K105-C108 PolarHBondContact O-N 3.06Å; K106-C108 VanDerWaalsContact C-N 3.33Å; K106-C108 PolarHBondContact O-N 3.36Å; C108-N110 VanDerWaalsContact C-N 3.34Å; C108-N110 PolarHBondContact O-N 3.08Å; C108-K111 WeakPolarHBondContact O-CA 3.3Å; C108-K111 WeakPolarHBondContact O-CB 3.47Å; C108-K111 PolarHBondContact O-N 3.16Å; C108-R113 WeakPolarHBondContact O-CB 3.38Å; C108-R113 VanDerWaalsContact SG-CB 3.57Å; C108-C119 HydrophobicContact CB-CB 3.79Å; C108-C119 WeakPolarHBondContact CB-SG 3.37Å; C108-C119 WeakPolarHBondContact SG-CA 3.15Å; C108-C119 WeakPolarHBondContact SG-CB 3.41Å; C108-C119 CovalentContact SG-SG 2.04Å; C108-C119 PolarHBondContact SG-SG 2.82Å; C108-A141 HydrophobicContact CB-CB 3.96Å; C108-F142 WeakPolarHBondContact SG-CD2 3.36Å
109	L	95.4	Very high	93.2	Very high	64 Å²	64	70.4 Å²	70.4	34%	0.335	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-42.4	176.5	-61.2	176.8	0	0	0	112.1	K105 K106 K111 G112 R113 N115 C119	K105-L109 WeakPolarHBondContact O-CG 3.16Å; K105-L109 PolarHBondContact O-N 3.12Å; K106-L109 PolarHBondContact O-N 3.24Å; L109-K111 PolarHBondContact O-N 3.3Å; L109-G112 PolarHBondContact O-N 3.07Å; L109-R113 WeakPolarHBondContact CD2-O 3.5Å; L109-N115 HydrophobicContact CD2-CB 3.46Å; L109-N115 VanDerWaalsContact CD2-CB 3.46Å; L109-C119 HydrophobicContact CD2-CB 4.36Å
110	N	94.9	Very high	93.3	Very high	128 Å²	128	68.1 Å²	68.1	68%	0.684	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.3	174.9	-70.8	6.1	0	0	0	113.9	K106 C108	K106-N110 WeakPolarHBondContact O-CB 3.29Å; K106-N110 PolarHBondContact O-N 3.29Å; K106-N110 PolarHBondContact O-OD1 3.28Å; C108-N110 VanDerWaalsContact C-N 3.34Å; C108-N110 PolarHBondContact O-N 3.08Å
111	K	91.2	Very high	93.4	Very high	123 Å²	123	67.9 Å²	67.9	54%	0.535	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	12.7	172.7	-64.5	167.2	-174.9	175.5	0	112.9	Q107 C108 L109 R113	Q107-K111 WeakPolarHBondContact O-CG 3.38Å; C108-K111 WeakPolarHBondContact O-CA 3.3Å; C108-K111 WeakPolarHBondContact O-CB 3.47Å; C108-K111 PolarHBondContact O-N 3.16Å; L109-K111 PolarHBondContact O-N 3.3Å; K111-R113 HydrophobicContact CB-CG 4.42Å
112	G	91.4	Very high	93.5	Very high	73 Å²	73	66.2 Å²	66.2	75%	0.753	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	31.2	178.5	0	0	0	0	0	114.2	L109	L109-G112 PolarHBondContact O-N 3.07Å
113	R	92.4	Very high	93.6	Very high	53 Å²	53	61.7 Å²	61.7	20%	0.2	32%	0.317	C	S	.	.			trans	-104.5	153.8	-175.8	-62.5	-64.6	176	158.3	-5.1	112.9	C108 L109 K111 N115 E118 C119 F142	C108-R113 WeakPolarHBondContact O-CB 3.38Å; C108-R113 VanDerWaalsContact SG-CB 3.57Å; L109-R113 WeakPolarHBondContact CD2-O 3.5Å; K111-R113 HydrophobicContact CB-CG 4.42Å; R113-N115 PolarHBondContact O-N 2.8Å; R113-E118 WeakPolarHBondContact CA-OE2 3.5Å; R113-E118 WeakPolarHBondContact CB-OE2 3.49Å; R113-E118 WeakPolarHBondContact CD-OE1 3.41Å; R113-E118 VanDerWaalsContact CD-OE2 3.25Å; R113-E118 WeakPolarHBondContact CD-OE2 3.46Å; R113-E118 IonicContact CZ-OE1 2.63Å; R113-E118 IonicContact NH1-OE1 3.92Å; R113-E118 PolarHBondContact NH1-OE1 3.31Å; R113-C119 VanDerWaalsContact CB-SG 3.52Å; R113-F142 HydrophobicContact CB-CE2 3.99Å; R113-F142 VanDerWaalsContact CD-CZ 3.49Å; R113-F142 HydrophobicContact CG-CD2 4.11Å; R113-F142 HydrophobicContact CG-CE1 4.5Å; R113-F142 HydrophobicContact CG-CE2 3.66Å; R113-F142 HydrophobicContact CG-CZ 3.92Å
114	N	89.9	Confident	93.6	Very high	71 Å²	71	58.9 Å²	58.9	38%	0.38	30%	0.301	S	S	.	.			trans	-76.3	122.4	-171.9	-171.3	-26.6	0	0	0	112	Q116 T117 E118 C119	N114-Q116 VanDerWaalsContact C-N 3.32Å; N114-Q116 PolarHBondContact O-N 2.93Å; N114-Q116 WeakPolarHBondContact OD1-CB 3.29Å; N114-Q116 PolarHBondContact OD1-N 2.85Å; N114-T117 PolarHBondContact ND2-OG1 2.9Å; N114-E118 HydrophobicContact CB-CG 4.16Å; N114-E118 PolarHBondContact N-OE2 2.89Å; N114-E118 PolarHBondContact O-N 3.39Å; N114-E118 VanDerWaalsContact O-N 3.14Å; N114-C119 PolarHBondContact O-N 3.28Å
115	N	88.7	Confident	93.8	Very high	84 Å²	84	58.7 Å²	58.7	45%	0.449	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-30.7	178.8	-159.1	17.7	0	0	0	113.8	L109 R113 H120	L109-N115 HydrophobicContact CD2-CB 3.46Å; L109-N115 VanDerWaalsContact CD2-CB 3.46Å; R113-N115 PolarHBondContact O-N 2.8Å; N115-H120 CovalentContact O-NE2 1.81Å; N115-H120 PolarHBondContact O-NE2 2.82Å
116	Q	85.2	Confident	93.8	Very high	149 Å²	149	57.3 Å²	57.3	70%	0.696	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-22.2	-174	-63.2	179.5	-10.9	0	0	112.8	R77 N114	R77-Q116 VanDerWaalsContact CZ-O 3.32Å; R77-Q116 PolarHBondContact NH1-O 2.91Å; R77-Q116 PolarHBondContact NH2-O 3.29Å; N114-Q116 VanDerWaalsContact C-N 3.32Å; N114-Q116 PolarHBondContact O-N 2.93Å; N114-Q116 WeakPolarHBondContact OD1-CB 3.29Å; N114-Q116 PolarHBondContact OD1-N 2.85Å
117	T	88	Confident	93.8	Very high	70 Å²	70	52.8 Å²	52.8	43%	0.429	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-66.7	-173.4	53.3	0	0	0	0	112.9	N114 H122	N114-T117 PolarHBondContact ND2-OG1 2.9Å; T117-H122 PolarHBondContact O-NE2 2.84Å
118	E	92.8	Very high	93.7	Very high	38 Å²	38	51.2 Å²	51.2	18%	0.178	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-38	-168.4	-50.3	172.8	101.6	0	0	113.7	R113 N114 H120 F142	R113-E118 WeakPolarHBondContact CA-OE2 3.5Å; R113-E118 WeakPolarHBondContact CB-OE2 3.49Å; R113-E118 WeakPolarHBondContact CD-OE1 3.41Å; R113-E118 VanDerWaalsContact CD-OE2 3.25Å; R113-E118 WeakPolarHBondContact CD-OE2 3.46Å; R113-E118 IonicContact CZ-OE1 2.63Å; R113-E118 IonicContact NH1-OE1 3.92Å; R113-E118 PolarHBondContact NH1-OE1 3.31Å; N114-E118 HydrophobicContact CB-CG 4.16Å; N114-E118 PolarHBondContact N-OE2 2.89Å; N114-E118 PolarHBondContact O-N 3.39Å; N114-E118 VanDerWaalsContact O-N 3.14Å; E118-H120 PolarHBondContact O-N 2.79Å; E118-F142 HydrophobicContact CB-CE2 3.63Å; E118-F142 HydrophobicContact CB-CZ 4.02Å; E118-F142 HydrophobicContact CG-CZ 4.48Å; E118-F142 WeakPolarHBondContact OE1-CZ 3.48Å
119	C	95.8	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-78.6	48	-173.8	-66.7	0	0	0	0	114.5	K105 C108 L109 R113 N114 A141	K105-C119 WeakPolarHBondContact CG-O 3.48Å; C108-C119 HydrophobicContact CB-CB 3.79Å; C108-C119 WeakPolarHBondContact CB-SG 3.37Å; C108-C119 WeakPolarHBondContact SG-CA 3.15Å; C108-C119 WeakPolarHBondContact SG-CB 3.41Å; C108-C119 CovalentContact SG-SG 2.04Å; C108-C119 PolarHBondContact SG-SG 2.82Å; L109-C119 HydrophobicContact CD2-CB 4.36Å; R113-C119 VanDerWaalsContact CB-SG 3.52Å; N114-C119 PolarHBondContact O-N 3.28Å; C119-A141 HydrophobicContact CB-CB 4.4Å
120	H	95.7	Very high	93.3	Very high	36 Å²	36	50.9 Å²	50.9	17%	0.167	26%	0.263	C	S	.	.	S	Bend	trans	-131.2	167.3	176.5	-66.9	-90.9	0	0	0	110.1	R77 N115 E118 H122 T139 A141	R77-H120 HydrophobicContact CG-CB 3.93Å; R77-H120 PolarHBondContact NH2-CD2 2.77Å; R77-H120 PolarHBondContact NH2-NE2 3.15Å; N115-H120 CovalentContact O-NE2 1.81Å; N115-H120 PolarHBondContact O-NE2 2.82Å; E118-H120 PolarHBondContact O-N 2.79Å; H120-H122 PolarHBondContact O-N 2.88Å; H120-T139 PolarHBondContact O-OG1 2.99Å; H120-T139 VanDerWaalsContact O-OG1 3.13Å; H120-A141 PolarHBondContact O-N 2.94Å
121	N	97	Very high	93.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.			trans	-81.7	111.5	166.4	-171	20.6	0	0	0	108.1	R77 G78 W98 A100 G138 T139 N140	R77-N121 CarbonylContact C-O 3.59Å; G78-N121 WeakPolarHBondContact CA-O 3.29Å; G78-N121 PolarHBondContact N-O 3Å; W98-N121 VanDerWaalsContact CD2-ND2 3.31Å; W98-N121 VanDerWaalsContact O-CB 3.29Å; W98-N121 WeakPolarHBondContact O-CB 3.29Å; W98-N121 PolarHBondContact O-ND2 3.05Å; A100-N121 HydrophobicContact CB-CB 4.36Å; N121-G138 VanDerWaalsContact OD1-CA 3.26Å; N121-G138 WeakPolarHBondContact OD1-CA 3.43Å; N121-T139 PolarHBondContact OD1-N 2.87Å; N121-N140 HydrophobicContact CB-CB 4.33Å; N121-N140 WeakPolarHBondContact OD1-CA 3.37Å; N121-N140 PolarHBondContact OD1-N 2.89Å
122	H	97.2	Very high	93.1	Very high	13 Å²	13	51.3 Å²	51.3	6%	0.06	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-101.9	124.5	170.9	-67	-96	0	0	0	107.8	T117 H120 R124 G138 T139 P171	T117-H122 PolarHBondContact O-NE2 2.84Å; H120-H122 PolarHBondContact O-N 2.88Å; H122-R124 PolarHBondContact O-N 2.89Å; H122-G138 CarbonylContact O-C 3.47Å; H122-G138 WeakPolarHBondContact O-CA 3.33Å; H122-T139 HydrophobicContact CB-CG2 4.12Å; H122-T139 PolarHBondContact N-OG1 2.99Å; H122-T139 PolarHBondContact O-N 2.88Å; H122-P171 HydrophobicContact CB-CB 3.97Å
123	I	97.7	Very high	93.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.9	172.7	-55.1	-56.3	0	0	0	108.6	T62 G76 L80 W98 V136	T62-I123 PolarHBondContact OG1-O 2.84Å; G76-I123 WeakPolarHBondContact O-CG1 3.48Å; G76-I123 PolarHBondContact O-N 2.87Å; G76-I123 VanDerWaalsContact O-N 3.09Å; L80-I123 HydrophobicContact CD1-CD1 4.27Å; L80-I123 HydrophobicContact CD2-CD1 4.27Å; L80-I123 HydrophobicContact CD2-CG1 3.98Å; L80-I123 HydrophobicContact CD2-CG2 4.18Å; L80-I123 HydrophobicContact CG-CD1 4.14Å; L80-I123 HydrophobicContact CG-CG1 4.11Å; W98-I123 HydrophobicContact CE3-CD1 3.49Å; W98-I123 VanDerWaalsContact CE3-CD1 3.49Å; W98-I123 HydrophobicContact CZ3-CD1 3.75Å; I123-V136 HydrophobicContact CD1-CG1 4.24Å; I123-V136 HydrophobicContact CG2-CG1 3.83Å
124	R	96.8	Very high	93.3	Very high	55 Å²	55	47.1 Å²	47.1	21%	0.208	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	-19.9	179.7	-55.8	-62.2	-75.4	162.7	-6.9	113.2	H122 C137 T139 P168 P171 K173 F175	H122-R124 PolarHBondContact O-N 2.89Å; R124-C137 PolarHBondContact N-O 2.7Å; R124-T139 HydrophobicContact CG-CG2 3.66Å; R124-P168 HydrophobicContact CB-CG 4.44Å; R124-P168 HydrophobicContact CG-CG 4.06Å; R124-P171 VanDerWaalsContact CZ-O 3.32Å; R124-P171 PolarHBondContact NH2-O 3.14Å; R124-K173 PolarHBondContact NH2-O 3.01Å; R124-F175 HydrophobicContact CB-CD1 4.08Å; R124-F175 HydrophobicContact CB-CE1 4.35Å; R124-F175 WeakPolarHBondContact O-CD1 3.23Å; R124-F175 WeakPolarHBondContact O-CE1 3.38Å
125	F	97.3	Very high	93.6	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.022	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.7	177.3	-171.3	-90.6	0	0	0	109.9	Q127 Y135 V136 C137 F175 L179 M187	F125-Q127 HydrophobicContact CE1-CB 3.78Å; F125-Q127 HydrophobicContact CE1-CG 4.03Å; F125-Q127 HydrophobicContact CE2-CG 3.98Å; F125-Q127 HydrophobicContact CZ-CB 3.66Å; F125-Q127 HydrophobicContact CZ-CG 3.56Å; F125-Y135 HydrophobicContact CD1-CD1 4.04Å; F125-Y135 AromaticContact CE1-CD1 3.86Å; F125-Y135 HydrophobicContact CE1-CD1 3.86Å; F125-V136 CarbonylContact O-C 3.51Å; F125-V136 VanDerWaalsContact O-CA 3.3Å; F125-V136 WeakPolarHBondContact O-CA 3.39Å; F125-V136 WeakPolarHBondContact O-CG1 3.29Å; F125-C137 HydrophobicContact CB-CB 4.01Å; F125-C137 PolarHBondContact N-O 3.17Å; F125-C137 VanDerWaalsContact N-O 3.14Å; F125-C137 PolarHBondContact O-N 2.88Å; F125-F175 HydrophobicContact CB-CE1 3.96Å; F125-F175 HydrophobicContact CB-CZ 4.16Å; F125-F175 AromaticContact CD2-CE1 4Å; F125-F175 HydrophobicContact CD2-CE1 4Å; F125-F175 HydrophobicContact CD2-CZ 4.02Å; F125-F175 HydrophobicContact CG-CE1 4.49Å; F125-L179 HydrophobicContact CE1-CD2 4.41Å; F125-L179 HydrophobicContact CZ-CB 3.93Å; F125-M187 HydrophobicContact CD1-CE 4Å; F125-M187 HydrophobicContact CD2-CE 4.14Å; F125-M187 HydrophobicContact CE1-CE 4.02Å; F125-M187 HydrophobicContact CE2-CE 4.15Å; F125-M187 HydrophobicContact CG-CE 4.06Å; F125-M187 HydrophobicContact CZ-CE 4.09Å
126	L	96.8	Very high	94	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	100.9	-179.3	171.4	60.4	0	0	0	107.7	T62 L64 L80 L134 V136	T62-L126 HydrophobicContact CG2-CB 3.68Å; T62-L126 HydrophobicContact CG2-CD2 4.31Å; L64-L126 HydrophobicContact CB-CD2 4.16Å; L64-L126 HydrophobicContact CB-CG 3.95Å; L64-L126 HydrophobicContact CD2-CD1 4.45Å; L64-L126 HydrophobicContact CD2-CG 4.2Å; L80-L126 HydrophobicContact CD2-CD1 4.32Å; L80-L126 HydrophobicContact CD2-CD2 4.35Å; L126-L134 HydrophobicContact CD1-CD1 4.14Å; L126-V136 HydrophobicContact CB-CG1 4.49Å; L126-V136 HydrophobicContact CD1-CG1 4.31Å; L126-V136 HydrophobicContact CD1-CG2 3.52Å
127	Q	95.6	Very high	94.6	Very high	47 Å²	47	32.7 Å²	32.7	22%	0.22	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.7	178	-68	-176.2	3.7	0	0	111.4	F125 L134 Y135 G177 L179	F125-Q127 HydrophobicContact CE1-CB 3.78Å; F125-Q127 HydrophobicContact CE1-CG 4.03Å; F125-Q127 HydrophobicContact CE2-CG 3.98Å; F125-Q127 HydrophobicContact CZ-CB 3.66Å; F125-Q127 HydrophobicContact CZ-CG 3.56Å; Q127-L134 WeakPolarHBondContact O-CA 3.37Å; Q127-Y135 PolarHBondContact N-O 3.48Å; Q127-Y135 VanDerWaalsContact N-O 3.11Å; Q127-Y135 PolarHBondContact O-N 2.94Å; Q127-G177 PolarHBondContact NE2-O 2.88Å; Q127-L179 HydrophobicContact CB-CB 4.37Å; Q127-L179 HydrophobicContact CB-CD2 4.46Å
128	R	93.6	Very high	95.1	Very high	58 Å²	58	29.3 Å²	29.3	22%	0.219	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.9	172.3	178.7	58.3	61.5	169.8	7.7	109.9	E66 N130 E131 L134 A151	E66-R128 VanDerWaalsContact CD-NH2 3.28Å; E66-R128 IonicContact OE1-CZ 3.91Å; E66-R128 VanDerWaalsContact OE1-CZ 3.27Å; E66-R128 IonicContact OE1-NE 3.14Å; E66-R128 PolarHBondContact OE1-NE 2.92Å; E66-R128 IonicContact OE1-NH2 3.35Å; E66-R128 PolarHBondContact OE1-NH2 3.18Å; E66-R128 IonicContact OE2-CZ 3.65Å; E66-R128 IonicContact OE2-NE 3.79Å; E66-R128 IonicContact OE2-NH2 2.75Å; E66-R128 PolarHBondContact OE2-NH2 2.74Å; R128-N130 WeakPolarHBondContact CD-O 3.27Å; R128-N130 PolarHBondContact NH1-O 2.98Å; R128-E131 PolarHBondContact NH1-O 2.79Å; R128-L134 HydrophobicContact CB-CD2 4.47Å; R128-A151 VanDerWaalsContact NH1-CB 3.32Å
129	F	91.9	Very high	95.3	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.088	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-49.8	178.6	172.4	-97.1	0	0	0	111.6	H133 Y148 L179 S183	F129-H133 HydrophobicContact CD1-CB 4.45Å; F129-H133 PolarHBondContact N-O 2.79Å; F129-Y148 HydrophobicContact CD1-CD1 4.08Å; F129-Y148 AromaticContact CD1-CE1 3.83Å; F129-Y148 HydrophobicContact CD1-CE1 3.83Å; F129-Y148 AromaticContact CD2-CE1 3.78Å; F129-Y148 HydrophobicContact CD2-CE1 3.78Å; F129-Y148 HydrophobicContact CE1-CD1 4.43Å; F129-Y148 AromaticContact CE1-CE1 3.89Å; F129-Y148 HydrophobicContact CE1-CE1 3.89Å; F129-Y148 AromaticContact CE2-CE1 3.84Å; F129-Y148 HydrophobicContact CE2-CE1 3.84Å; F129-Y148 HydrophobicContact CG-CD1 4.19Å; F129-Y148 AromaticContact CG-CE1 3.8Å; F129-Y148 HydrophobicContact CG-CE1 3.8Å; F129-Y148 AromaticContact CZ-CE1 3.91Å; F129-Y148 HydrophobicContact CZ-CE1 3.91Å; F129-L179 HydrophobicContact CB-CD2 3.91Å; F129-L179 HydrophobicContact CD2-CD1 4.21Å; F129-L179 HydrophobicContact CD2-CD2 4Å; F129-L179 HydrophobicContact CD2-CG 4.49Å; F129-L179 HydrophobicContact CG-CD2 4.46Å; F129-S183 WeakPolarHBondContact CZ-O 3.18Å
130	N	90.4	Very high	95.3	Very high	37 Å²	37	28.1 Å²	28.1	20%	0.198	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	176.1	171.3	69	30.4	0	0	0	109.4	R128 T132 H133	R128-N130 WeakPolarHBondContact CD-O 3.27Å; R128-N130 PolarHBondContact NH1-O 2.98Å; N130-T132 PolarHBondContact O-N 2.96Å; N130-T132 PolarHBondContact OD1-N 3.3Å; N130-T132 VanDerWaalsContact OD1-N 3.08Å; N130-T132 PolarHBondContact OD1-OG1 2.99Å; N130-T132 VanDerWaalsContact OD1-OG1 3.1Å; N130-H133 PolarHBondContact N-O 3.38Å; N130-H133 PolarHBondContact O-N 2.9Å; N130-H133 VanDerWaalsContact O-O 3.08Å; N130-H133 WeakPolarHBondContact OD1-CB 3.24Å; N130-H133 PolarHBondContact OD1-N 2.84Å; N130-H133 PolarHBondContact OD1-ND1 3.26Å
131	E	89.1	Confident	95.4	Very high	177 Å²	177	26.4 Å²	26.4	83%	0.827	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46	-36.9	-176.9	-64.2	168.5	-169.3	0	0	113.9	R128	R128-E131 PolarHBondContact NH1-O 2.79Å
132	T	91.4	Very high	95.3	Very high	84 Å²	84	27.2 Å²	27.2	52%	0.515	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-14.8	-177.7	52.7	0	0	0	0	114.7	N130 A151	N130-T132 PolarHBondContact O-N 2.96Å; N130-T132 PolarHBondContact OD1-N 3.3Å; N130-T132 VanDerWaalsContact OD1-N 3.08Å; N130-T132 PolarHBondContact OD1-OG1 2.99Å; N130-T132 VanDerWaalsContact OD1-OG1 3.1Å; T132-A151 WeakPolarHBondContact O-CB 3.19Å; T132-A151 PolarHBondContact O-N 2.81Å
133	H	93.7	Very high	95.2	Very high	38 Å²	38	33.1 Å²	33.1	18%	0.176	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.6	-168.7	-72.7	77.9	0	0	0	115.8	F129 N130 I149 S157	F129-H133 HydrophobicContact CD1-CB 4.45Å; F129-H133 PolarHBondContact N-O 2.79Å; N130-H133 PolarHBondContact N-O 3.38Å; N130-H133 PolarHBondContact O-N 2.9Å; N130-H133 VanDerWaalsContact O-O 3.08Å; N130-H133 WeakPolarHBondContact OD1-CB 3.24Å; N130-H133 PolarHBondContact OD1-N 2.84Å; N130-H133 PolarHBondContact OD1-ND1 3.26Å; H133-I149 VanDerWaalsContact CA-O 3.32Å; H133-I149 WeakPolarHBondContact CA-O 3.22Å; H133-S157 PolarHBondContact CD2-OG 3.04Å; H133-S157 VanDerWaalsContact NE2-CB 3.35Å; H133-S157 WeakPolarHBondContact NE2-CB 3.31Å; H133-S157 PolarHBondContact NE2-OG 2.87Å
134	L	95.4	Very high	95.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	148.6	162.3	-53.1	178.8	0	0	0	110	L64 Y73 L126 Q127 R128 V136 Y148 I149 A151 F154	L64-L134 HydrophobicContact CD2-CD2 3.92Å; Y73-L134 HydrophobicContact CD1-CD1 3.7Å; Y73-L134 HydrophobicContact CD2-CD1 4.02Å; Y73-L134 HydrophobicContact CD2-CD2 4.4Å; Y73-L134 HydrophobicContact CE1-CD1 3.78Å; Y73-L134 HydrophobicContact CE2-CD1 4.11Å; Y73-L134 HydrophobicContact CE2-CD2 4.23Å; Y73-L134 HydrophobicContact CG-CD1 3.81Å; L126-L134 HydrophobicContact CD1-CD1 4.14Å; Q127-L134 WeakPolarHBondContact O-CA 3.37Å; R128-L134 HydrophobicContact CB-CD2 4.47Å; L134-V136 HydrophobicContact CB-CG2 4.28Å; L134-Y148 WeakPolarHBondContact O-CA 3.48Å; L134-I149 HydrophobicContact CB-CB 4.41Å; L134-I149 PolarHBondContact N-O 3.08Å; L134-I149 PolarHBondContact O-N 2.89Å; L134-A151 HydrophobicContact CG-CB 4.23Å; L134-F154 HydrophobicContact CD1-CE2 4.3Å
135	Y	95.7	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.2	167.2	-176.2	-101.3	0	0	0	109.7	F125 Q127 C137 C146 Y148 E161 R166 L179 M187	F125-Y135 HydrophobicContact CD1-CD1 4.04Å; F125-Y135 AromaticContact CE1-CD1 3.86Å; F125-Y135 HydrophobicContact CE1-CD1 3.86Å; Q127-Y135 PolarHBondContact N-O 3.48Å; Q127-Y135 VanDerWaalsContact N-O 3.11Å; Q127-Y135 PolarHBondContact O-N 2.94Å; Y135-C137 VanDerWaalsContact CE1-SG 3.54Å; Y135-C146 HydrophobicContact CE1-CB 4.17Å; Y135-C146 HydrophobicContact CE2-CB 3.95Å; Y135-C146 WeakPolarHBondContact OH-CB 3.26Å; Y135-C146 PolarHBondContact OH-SG 3.1Å; Y135-Y148 AromaticContact CD2-CD1 3.81Å; Y135-Y148 HydrophobicContact CD2-CD1 3.81Å; Y135-Y148 HydrophobicContact CD2-CD2 4.22Å; Y135-Y148 AromaticContact CD2-CE1 3.49Å; Y135-Y148 HydrophobicContact CD2-CE1 3.49Å; Y135-Y148 VanDerWaalsContact CD2-CE1 3.49Å; Y135-Y148 AromaticContact CD2-CE2 3.93Å; Y135-Y148 HydrophobicContact CD2-CE2 3.93Å; Y135-Y148 HydrophobicContact CD2-CG 4.16Å; Y135-Y148 AromaticContact CD2-CZ 3.55Å; Y135-Y148 HydrophobicContact CE2-CD2 4.45Å; Y135-Y148 HydrophobicContact CE2-CE1 4.16Å; Y135-Y148 AromaticContact CE2-CE2 3.89Å; Y135-Y148 HydrophobicContact CE2-CE2 3.89Å; Y135-Y148 AromaticContact CE2-CZ 3.71Å; Y135-Y148 HydrophobicContact CG-CE1 4.34Å; Y135-E161 PolarHBondContact OH-OE2 2.93Å; Y135-R166 WeakPolarHBondContact OH-CD 3.35Å; Y135-R166 PolarHBondContact OH-NH1 3.26Å; Y135-L179 HydrophobicContact CD1-CD2 4.48Å; Y135-M187 HydrophobicContact CD1-CE 4.36Å; Y135-M187 HydrophobicContact CE1-CE 3.81Å; Y135-M187 HydrophobicContact CE1-SD 3.82Å
136	V	97.4	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.3	-168.8	-167	0	0	0	0	110.2	L80 W98 I123 F125 L126 L134 C146 V147 I149	L80-V136 HydrophobicContact CD1-CG1 4.03Å; L80-V136 HydrophobicContact CD2-CG1 3.84Å; W98-V136 HydrophobicContact CZ3-CB 4.34Å; W98-V136 HydrophobicContact CZ3-CG1 4.01Å; I123-V136 HydrophobicContact CD1-CG1 4.24Å; I123-V136 HydrophobicContact CG2-CG1 3.83Å; F125-V136 CarbonylContact O-C 3.51Å; F125-V136 VanDerWaalsContact O-CA 3.3Å; F125-V136 WeakPolarHBondContact O-CA 3.39Å; F125-V136 WeakPolarHBondContact O-CG1 3.29Å; L126-V136 HydrophobicContact CB-CG1 4.49Å; L126-V136 HydrophobicContact CD1-CG1 4.31Å; L126-V136 HydrophobicContact CD1-CG2 3.52Å; L134-V136 HydrophobicContact CB-CG2 4.28Å; V136-C146 CarbonylContact O-C 3.47Å; V136-C146 WeakPolarHBondContact O-CA 3.47Å; V136-V147 PolarHBondContact N-O 3.15Å; V136-V147 PolarHBondContact O-N 3.15Å; V136-I149 HydrophobicContact CB-CD1 4.39Å; V136-I149 HydrophobicContact CG2-CD1 3.81Å
137	C	97.7	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.5	172.9	-52.4	0	0	0	0	112.1	R124 F125 Y135 L145 C146 C167	R124-C137 PolarHBondContact N-O 2.7Å; F125-C137 HydrophobicContact CB-CB 4.01Å; F125-C137 PolarHBondContact N-O 3.17Å; F125-C137 VanDerWaalsContact N-O 3.14Å; F125-C137 PolarHBondContact O-N 2.88Å; Y135-C137 VanDerWaalsContact CE1-SG 3.54Å; C137-L145 VanDerWaalsContact CA-O 3.26Å; C137-L145 WeakPolarHBondContact CA-O 3.23Å; C137-C146 HydrophobicContact CB-CB 4.06Å; C137-C146 WeakPolarHBondContact CB-SG 2.97Å; C137-C146 WeakPolarHBondContact SG-CB 3.45Å; C137-C146 CovalentContact SG-SG 2.04Å; C137-C146 PolarHBondContact SG-SG 3.14Å; C137-C167 HydrophobicContact CB-CB 3.71Å
138	G	97.7	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	160.6	175.4	0	0	0	0	0	113.4	N121 H122 N140 P144 L145	N121-G138 VanDerWaalsContact OD1-CA 3.26Å; N121-G138 WeakPolarHBondContact OD1-CA 3.43Å; H122-G138 CarbonylContact O-C 3.47Å; H122-G138 WeakPolarHBondContact O-CA 3.33Å; G138-N140 VanDerWaalsContact C-N 3.28Å; G138-N140 PolarHBondContact O-N 3.35Å; G138-P144 VanDerWaalsContact O-CA 3.22Å; G138-P144 WeakPolarHBondContact O-CA 3.39Å; G138-L145 PolarHBondContact N-O 2.84Å; G138-L145 PolarHBondContact O-N 2.73Å; G138-L145 VanDerWaalsContact O-N 3.08Å
139	T	97	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.			trans	-68.5	-24	-172.1	65.1	0	0	0	0	114.1	H120 N121 H122 R124 A141 F142 R143 P168 P171	H120-T139 PolarHBondContact O-OG1 2.99Å; H120-T139 VanDerWaalsContact O-OG1 3.13Å; N121-T139 PolarHBondContact OD1-N 2.87Å; H122-T139 HydrophobicContact CB-CG2 4.12Å; H122-T139 PolarHBondContact N-OG1 2.99Å; H122-T139 PolarHBondContact O-N 2.88Å; R124-T139 HydrophobicContact CG-CG2 3.66Å; T139-A141 VanDerWaalsContact C-N 3.32Å; T139-A141 PolarHBondContact O-N 2.99Å; T139-F142 PolarHBondContact O-N 2.81Å; T139-R143 CarbonylContact O-C 3.55Å; T139-R143 PolarHBondContact O-N 3.42Å; T139-R143 VanDerWaalsContact O-N 3.1Å; T139-P168 WeakPolarHBondContact CG2-O 3.43Å; T139-P171 HydrophobicContact CG2-CB 4.2Å
140	N	97.1	Very high	95.5	Very high	13 Å²	13	29 Å²	29	7%	0.07	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	38	54.9	179.7	177.2	55	0	0	0	113.9	A100 Q104 N121 G138 R143 L145	A100-N140 WeakPolarHBondContact CA-OD1 3.49Å; A100-N140 VanDerWaalsContact CB-OD1 3.29Å; A100-N140 WeakPolarHBondContact CB-OD1 3.04Å; Q104-N140 WeakPolarHBondContact CG-O 3.15Å; N121-N140 HydrophobicContact CB-CB 4.33Å; N121-N140 WeakPolarHBondContact OD1-CA 3.37Å; N121-N140 PolarHBondContact OD1-N 2.89Å; G138-N140 VanDerWaalsContact C-N 3.28Å; G138-N140 PolarHBondContact O-N 3.35Å; N140-R143 WeakPolarHBondContact CB-O 3.35Å; N140-R143 PolarHBondContact ND2-O 3.37Å; N140-R143 PolarHBondContact O-N 2.8Å; N140-L145 HydrophobicContact CB-CD1 4.46Å; N140-L145 HydrophobicContact CB-CG 4.34Å; N140-L145 WeakPolarHBondContact ND2-CD1 3.41Å
141	A	96.4	Very high	95.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	63.5	180	0	0	0	0	0	113.3	A100 Q104 C108 C119 H120 T139 R143	A100-A141 HydrophobicContact CB-CB 3.9Å; Q104-A141 HydrophobicContact CG-CB 4.3Å; Q104-A141 PolarHBondContact NE2-O 2.71Å; C108-A141 HydrophobicContact CB-CB 3.96Å; C119-A141 HydrophobicContact CB-CB 4.4Å; H120-A141 PolarHBondContact O-N 2.94Å; T139-A141 VanDerWaalsContact C-N 3.32Å; T139-A141 PolarHBondContact O-N 2.99Å; A141-R143 VanDerWaalsContact C-N 3.33Å; A141-R143 PolarHBondContact O-N 3.04Å
142	F	95	Very high	95.7	Very high	16 Å²	16	27 Å²	27	7%	0.07	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	41.4	-176.7	-60.3	-103.8	0	0	0	114	C108 R113 E118 T139 Y169 D170	C108-F142 WeakPolarHBondContact SG-CD2 3.36Å; R113-F142 HydrophobicContact CB-CE2 3.99Å; R113-F142 VanDerWaalsContact CD-CZ 3.49Å; R113-F142 HydrophobicContact CG-CD2 4.11Å; R113-F142 HydrophobicContact CG-CE1 4.5Å; R113-F142 HydrophobicContact CG-CE2 3.66Å; R113-F142 HydrophobicContact CG-CZ 3.92Å; E118-F142 HydrophobicContact CB-CE2 3.63Å; E118-F142 HydrophobicContact CB-CZ 4.02Å; E118-F142 HydrophobicContact CG-CZ 4.48Å; E118-F142 WeakPolarHBondContact OE1-CZ 3.48Å; T139-F142 PolarHBondContact O-N 2.81Å; F142-Y169 HydrophobicContact CB-CD1 4.3Å; F142-Y169 WeakPolarHBondContact CD1-O 3.5Å; F142-Y169 WeakPolarHBondContact CG-O 3.42Å; F142-Y169 WeakPolarHBondContact O-CD1 3.42Å; F142-D170 HydrophobicContact CE1-CB 3.77Å; F142-D170 HydrophobicContact CZ-CB 4.28Å
143	R	95.5	Very high	95.8	Very high	138 Å²	138	32 Å²	32	52%	0.521	14%	0.138	S	C	.	.	S	Bend	trans	-153.8	77.3	165.7	-174.6	-174.6	-179.5	179.7	-1.4	109.1	Q104 T139 N140 A141	Q104-R143 VanDerWaalsContact NE2-CB 3.3Å; T139-R143 CarbonylContact O-C 3.55Å; T139-R143 PolarHBondContact O-N 3.42Å; T139-R143 VanDerWaalsContact O-N 3.1Å; N140-R143 WeakPolarHBondContact CB-O 3.35Å; N140-R143 PolarHBondContact ND2-O 3.37Å; N140-R143 PolarHBondContact O-N 2.8Å; A141-R143 VanDerWaalsContact C-N 3.33Å; A141-R143 PolarHBondContact O-N 3.04Å
144	P	96.6	Very high	95.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	13%	0.131	C	C	.	.			trans	-57.7	142.3	-169.7	-26.9	36.2	0	0	0	113.3	G138 G163 C167 P168 Y169	G138-P144 VanDerWaalsContact O-CA 3.22Å; G138-P144 WeakPolarHBondContact O-CA 3.39Å; P144-G163 WeakPolarHBondContact O-CA 3.5Å; P144-G163 PolarHBondContact O-N 2.91Å; P144-C167 HydrophobicContact CB-CB 3.88Å; P144-C167 WeakPolarHBondContact CG-O 3.21Å; P144-P168 WeakPolarHBondContact CG-O 3.16Å; P144-Y169 HydrophobicContact CG-CD1 4.38Å; P144-Y169 HydrophobicContact CG-CD2 3.54Å; P144-Y169 HydrophobicContact CG-CE2 3.84Å; P144-Y169 HydrophobicContact CG-CG 3.83Å
145	L	97.1	Very high	95.8	Very high	35 Å²	35	35.2 Å²	35.2	18%	0.183	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.4	175.8	-67	178.6	0	0	0	109.6	W98 C137 G138 N140 F160 E161	W98-L145 HydrophobicContact CZ2-CB 3.85Å; C137-L145 VanDerWaalsContact CA-O 3.26Å; C137-L145 WeakPolarHBondContact CA-O 3.23Å; G138-L145 PolarHBondContact N-O 2.84Å; G138-L145 PolarHBondContact O-N 2.73Å; G138-L145 VanDerWaalsContact O-N 3.08Å; N140-L145 HydrophobicContact CB-CD1 4.46Å; N140-L145 HydrophobicContact CB-CG 4.34Å; N140-L145 WeakPolarHBondContact ND2-CD1 3.41Å; L145-F160 HydrophobicContact CD1-CB 4.44Å; L145-F160 HydrophobicContact CD1-CG 4.48Å; L145-E161 WeakPolarHBondContact CA-O 3.19Å; L145-E161 WeakPolarHBondContact CD2-O 3.3Å
146	C	97	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	159	169.4	-57.7	0	0	0	0	110.7	Y135 V136 C137 E161 G163	Y135-C146 HydrophobicContact CE1-CB 4.17Å; Y135-C146 HydrophobicContact CE2-CB 3.95Å; Y135-C146 WeakPolarHBondContact OH-CB 3.26Å; Y135-C146 PolarHBondContact OH-SG 3.1Å; V136-C146 CarbonylContact O-C 3.47Å; V136-C146 WeakPolarHBondContact O-CA 3.47Å; C137-C146 HydrophobicContact CB-CB 4.06Å; C137-C146 WeakPolarHBondContact CB-SG 2.97Å; C137-C146 WeakPolarHBondContact SG-CB 3.45Å; C137-C146 CovalentContact SG-SG 2.04Å; C137-C146 PolarHBondContact SG-SG 3.14Å; C146-E161 HydrophobicContact CB-CB 4.36Å; C146-E161 PolarHBondContact N-O 2.93Å; C146-E161 PolarHBondContact O-N 2.97Å; C146-G163 VanDerWaalsContact SG-CA 3.58Å
147	V	96.9	Very high	95.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	153.2	-177.7	70.3	0	0	0	0	111.2	W98 V136 I149 F156 F160	W98-V147 HydrophobicContact CE3-CG1 4.45Å; W98-V147 HydrophobicContact CH2-CB 4.3Å; W98-V147 HydrophobicContact CH2-CG1 3.64Å; W98-V147 HydrophobicContact CZ2-CB 4.42Å; W98-V147 HydrophobicContact CZ2-CG1 4.04Å; W98-V147 HydrophobicContact CZ3-CG1 3.87Å; V136-V147 PolarHBondContact N-O 3.15Å; V136-V147 PolarHBondContact O-N 3.15Å; V147-I149 HydrophobicContact CG1-CD1 4.28Å; V147-I149 HydrophobicContact CG1-CG1 4.29Å; V147-F156 HydrophobicContact CB-CD1 4.27Å; V147-F156 HydrophobicContact CG1-CD1 3.69Å; V147-F156 HydrophobicContact CG1-CE1 3.76Å; V147-F156 HydrophobicContact CG2-CB 4.21Å; V147-F156 HydrophobicContact CG2-CD1 3.62Å; V147-F156 HydrophobicContact CG2-CE1 4.36Å; V147-F156 HydrophobicContact CG2-CG 4.21Å; V147-F160 HydrophobicContact CB-CD1 3.8Å; V147-F160 HydrophobicContact CB-CE1 4Å; V147-F160 HydrophobicContact CG1-CE1 4.32Å; V147-F160 HydrophobicContact CG2-CD1 3.83Å; V147-F160 HydrophobicContact CG2-CE1 3.84Å
148	Y	95.9	Very high	95	Very high	39 Å²	39	42.9 Å²	42.9	15%	0.153	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.6	169.2	-60.5	-94.5	0	0	0	110.2	F129 L134 Y135 S157 S158	F129-Y148 HydrophobicContact CD1-CD1 4.08Å; F129-Y148 AromaticContact CD1-CE1 3.83Å; F129-Y148 HydrophobicContact CD1-CE1 3.83Å; F129-Y148 AromaticContact CD2-CE1 3.78Å; F129-Y148 HydrophobicContact CD2-CE1 3.78Å; F129-Y148 HydrophobicContact CE1-CD1 4.43Å; F129-Y148 AromaticContact CE1-CE1 3.89Å; F129-Y148 HydrophobicContact CE1-CE1 3.89Å; F129-Y148 AromaticContact CE2-CE1 3.84Å; F129-Y148 HydrophobicContact CE2-CE1 3.84Å; F129-Y148 HydrophobicContact CG-CD1 4.19Å; F129-Y148 AromaticContact CG-CE1 3.8Å; F129-Y148 HydrophobicContact CG-CE1 3.8Å; F129-Y148 AromaticContact CZ-CE1 3.91Å; F129-Y148 HydrophobicContact CZ-CE1 3.91Å; L134-Y148 WeakPolarHBondContact O-CA 3.48Å; Y135-Y148 AromaticContact CD2-CD1 3.81Å; Y135-Y148 HydrophobicContact CD2-CD1 3.81Å; Y135-Y148 HydrophobicContact CD2-CD2 4.22Å; Y135-Y148 AromaticContact CD2-CE1 3.49Å; Y135-Y148 HydrophobicContact CD2-CE1 3.49Å; Y135-Y148 VanDerWaalsContact CD2-CE1 3.49Å; Y135-Y148 AromaticContact CD2-CE2 3.93Å; Y135-Y148 HydrophobicContact CD2-CE2 3.93Å; Y135-Y148 HydrophobicContact CD2-CG 4.16Å; Y135-Y148 AromaticContact CD2-CZ 3.55Å; Y135-Y148 HydrophobicContact CE2-CD2 4.45Å; Y135-Y148 HydrophobicContact CE2-CE1 4.16Å; Y135-Y148 AromaticContact CE2-CE2 3.89Å; Y135-Y148 HydrophobicContact CE2-CE2 3.89Å; Y135-Y148 AromaticContact CE2-CZ 3.71Å; Y135-Y148 HydrophobicContact CG-CE1 4.34Å; Y148-S157 PolarHBondContact O-N 3.17Å; Y148-S157 PolarHBondContact O-OG 2.67Å; Y148-S158 WeakPolarHBondContact CD2-OG 3.39Å; Y148-S158 PolarHBondContact N-OG 2.73Å; Y148-S158 VanDerWaalsContact N-OG 3.15Å
149	I	96.7	Very high	94.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127	179.3	-73.2	165.5	0	0	0	108.8	L80 I96 H133 L134 V136 V147 A151 F154 N155 F156	L80-I149 HydrophobicContact CD1-CD1 3.61Å; I96-I149 HydrophobicContact CD1-CD1 3.73Å; I96-I149 HydrophobicContact CD1-CG1 4.11Å; I96-I149 HydrophobicContact CD1-CG2 3.92Å; H133-I149 VanDerWaalsContact CA-O 3.32Å; H133-I149 WeakPolarHBondContact CA-O 3.22Å; L134-I149 HydrophobicContact CB-CB 4.41Å; L134-I149 PolarHBondContact N-O 3.08Å; L134-I149 PolarHBondContact O-N 2.89Å; V136-I149 HydrophobicContact CB-CD1 4.39Å; V136-I149 HydrophobicContact CG2-CD1 3.81Å; V147-I149 HydrophobicContact CG1-CD1 4.28Å; V147-I149 HydrophobicContact CG1-CG1 4.29Å; I149-A151 PolarHBondContact O-N 3.13Å; I149-F154 HydrophobicContact CG2-CD2 3.97Å; I149-F154 HydrophobicContact CG2-CE2 4.26Å; I149-N155 WeakPolarHBondContact CA-O 3.12Å; I149-F156 HydrophobicContact CD1-CD1 4.21Å; I149-F156 HydrophobicContact CD1-CE1 4.25Å; I149-F156 HydrophobicContact CG1-CD1 3.87Å; I149-F156 HydrophobicContact CG1-CE1 4.4Å
150	D	95.7	Very high	94.6	Very high	30 Å²	30	50.6 Å²	50.6	16%	0.16	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	119.8	168.1	177.8	-44.7	0	0	0	108.2	E152 R153 F154 N155	D150-E152 PolarHBondContact OD1-N 2.95Å; D150-R153 HydrophobicContact CB-CB 4.31Å; D150-R153 WeakPolarHBondContact OD1-CB 3.44Å; D150-R153 PolarHBondContact OD1-N 2.75Å; D150-R153 VanDerWaalsContact OD2-CD 3.28Å; D150-R153 WeakPolarHBondContact OD2-CD 3.37Å; D150-R153 IonicContact OD2-NE 2.67Å; D150-F154 WeakPolarHBondContact O-CA 3.29Å; D150-F154 PolarHBondContact O-N 2.73Å; D150-N155 PolarHBondContact N-O 3.48Å
151	A	93.6	Very high	94.5	Very high	9 Å²	9	52.8 Å²	52.8	7%	0.074	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.5	-170.6	0	0	0	0	0	114.1	Y73 R128 T132 L134 I149	Y73-A151 PolarHBondContact OH-O 3.14Å; R128-A151 VanDerWaalsContact NH1-CB 3.32Å; T132-A151 WeakPolarHBondContact O-CB 3.19Å; T132-A151 PolarHBondContact O-N 2.81Å; L134-A151 HydrophobicContact CG-CB 4.23Å; I149-A151 PolarHBondContact O-N 3.13Å
152	E	90.8	Very high	94.4	Very high	162 Å²	162	58.8 Å²	58.8	76%	0.757	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-50.4	177.9	-175.6	-170.3	173.8	0	0	110.1	D150	D150-E152 PolarHBondContact OD1-N 2.95Å
153	R	92.1	Very high	94.3	Very high	190 Å²	190	58 Å²	58	72%	0.717	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.4	179.9	-57.6	-179.4	-177.5	-175.7	-1.6	112.9	D150	D150-R153 HydrophobicContact CB-CB 4.31Å; D150-R153 WeakPolarHBondContact OD1-CB 3.44Å; D150-R153 PolarHBondContact OD1-N 2.75Å; D150-R153 VanDerWaalsContact OD2-CD 3.28Å; D150-R153 WeakPolarHBondContact OD2-CD 3.37Å; D150-R153 IonicContact OD2-NE 2.67Å
154	F	94.4	Very high	94.2	Very high	10 Å²	10	57.1 Å²	57.1	4%	0.044	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	59.9	-174.1	-157.4	-113.6	0	0	0	112.8	Y73 L80 Y81 A82 L94 I96 L134 I149 D150	Y73-F154 HydrophobicContact CD1-CD2 4.09Å; Y73-F154 AromaticContact CD1-CE2 3.5Å; Y73-F154 HydrophobicContact CD1-CE2 3.5Å; Y73-F154 HydrophobicContact CD1-CZ 4.24Å; Y73-F154 AromaticContact CE1-CD2 3.82Å; Y73-F154 HydrophobicContact CE1-CD2 3.82Å; Y73-F154 AromaticContact CE1-CE2 3.73Å; Y73-F154 HydrophobicContact CE1-CE2 3.73Å; L80-F154 HydrophobicContact CB-CE1 4.32Å; L80-F154 HydrophobicContact CB-CZ 3.94Å; Y81-F154 VanDerWaalsContact C-CZ 3.47Å; A82-F154 HydrophobicContact CB-CD1 4.02Å; A82-F154 HydrophobicContact CB-CD2 3.81Å; A82-F154 HydrophobicContact CB-CE1 4.01Å; A82-F154 HydrophobicContact CB-CE2 3.83Å; A82-F154 HydrophobicContact CB-CG 3.9Å; A82-F154 HydrophobicContact CB-CZ 3.9Å; L94-F154 HydrophobicContact CB-CB 3.71Å; L94-F154 HydrophobicContact CB-CD1 3.58Å; L94-F154 HydrophobicContact CB-CG 3.94Å; L94-F154 HydrophobicContact CD1-CB 3.6Å; L94-F154 HydrophobicContact CG-CB 4.28Å; L94-F154 WeakPolarHBondContact O-CE1 3.24Å; I96-F154 HydrophobicContact CD1-CD1 3.79Å; I96-F154 HydrophobicContact CD1-CD2 4.34Å; I96-F154 HydrophobicContact CD1-CE1 3.81Å; I96-F154 HydrophobicContact CD1-CE2 4.33Å; I96-F154 HydrophobicContact CD1-CG 4.09Å; I96-F154 HydrophobicContact CD1-CZ 4.1Å; I96-F154 WeakPolarHBondContact CD1-O 3.46Å; I96-F154 HydrophobicContact CG1-CD1 3.73Å; I96-F154 HydrophobicContact CG1-CE1 3.79Å; I96-F154 HydrophobicContact CG1-CG 4.44Å; I96-F154 VanDerWaalsContact CG1-O 3.24Å; I96-F154 WeakPolarHBondContact CG1-O 3.45Å; L134-F154 HydrophobicContact CD1-CE2 4.3Å; I149-F154 HydrophobicContact CG2-CD2 3.97Å; I149-F154 HydrophobicContact CG2-CE2 4.26Å; D150-F154 WeakPolarHBondContact O-CA 3.29Å; D150-F154 PolarHBondContact O-N 2.73Å
155	N	94.9	Very high	93.9	Very high	95 Å²	95	59.1 Å²	59.1	51%	0.508	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.8	177	-166	3.6	0	0	0	110	I149 D150 S157	I149-N155 WeakPolarHBondContact CA-O 3.12Å; D150-N155 PolarHBondContact N-O 3.48Å; N155-S157 PolarHBondContact O-N 2.78Å
156	F	95.4	Very high	93.8	Very high	57 Å²	57	60 Å²	60	25%	0.25	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	126.9	174.3	-53	-60.2	0	0	0	110.2	I96 W98 V147 I149 F160	I96-F156 HydrophobicContact CG2-CD2 4.4Å; I96-F156 HydrophobicContact CG2-CE1 3.81Å; I96-F156 HydrophobicContact CG2-CE2 3.63Å; I96-F156 HydrophobicContact CG2-CZ 3.3Å; W98-F156 HydrophobicContact CB-CZ 4.04Å; W98-F156 AromaticContact CD1-CZ 3.97Å; W98-F156 HydrophobicContact CD2-CE1 4.21Å; W98-F156 HydrophobicContact CD2-CZ 4.22Å; W98-F156 HydrophobicContact CE3-CE1 4.49Å; W98-F156 HydrophobicContact CG-CE1 4.28Å; W98-F156 AromaticContact CG-CZ 3.82Å; W98-F156 HydrophobicContact CG-CZ 3.82Å; V147-F156 HydrophobicContact CB-CD1 4.27Å; V147-F156 HydrophobicContact CG1-CD1 3.69Å; V147-F156 HydrophobicContact CG1-CE1 3.76Å; V147-F156 HydrophobicContact CG2-CB 4.21Å; V147-F156 HydrophobicContact CG2-CD1 3.62Å; V147-F156 HydrophobicContact CG2-CE1 4.36Å; V147-F156 HydrophobicContact CG2-CG 4.21Å; I149-F156 HydrophobicContact CD1-CD1 4.21Å; I149-F156 HydrophobicContact CD1-CE1 4.25Å; I149-F156 HydrophobicContact CG1-CD1 3.87Å; I149-F156 HydrophobicContact CG1-CE1 4.4Å; F156-F160 HydrophobicContact CD1-CE1 4.27Å; F156-F160 HydrophobicContact CD1-CZ 4.5Å; F156-F160 HydrophobicContact CD2-CZ 4.21Å; F156-F160 HydrophobicContact CE1-CE1 4.02Å; F156-F160 HydrophobicContact CE1-CZ 4.33Å; F156-F160 HydrophobicContact CE2-CZ 4.03Å; F156-F160 HydrophobicContact CG-CZ 4.43Å; F156-F160 HydrophobicContact CZ-CE1 4.14Å; F156-F160 HydrophobicContact CZ-CZ 4.07Å
157	S	91.7	Very high	93.7	Very high	62 Å²	62	60 Å²	60	43%	0.434	30%	0.296	S	S	.	.			trans	-102.9	-13.1	176.9	64.9	0	0	0	0	113.4	H133 Y148 N155	H133-S157 PolarHBondContact CD2-OG 3.04Å; H133-S157 VanDerWaalsContact NE2-CB 3.35Å; H133-S157 WeakPolarHBondContact NE2-CB 3.31Å; H133-S157 PolarHBondContact NE2-OG 2.87Å; Y148-S157 PolarHBondContact O-N 3.17Å; Y148-S157 PolarHBondContact O-OG 2.67Å; N155-S157 PolarHBondContact O-N 2.78Å
158	S	88.3	Confident	93.7	Very high	42 Å²	42	60 Å²	60	29%	0.294	30%	0.296	S	S	.	.	S	Bend	trans	-122.7	168.6	-178.8	74.4	0	0	0	0	112.5	Y148	Y148-S158 WeakPolarHBondContact CD2-OG 3.39Å; Y148-S158 PolarHBondContact N-OG 2.73Å; Y148-S158 VanDerWaalsContact N-OG 3.15Å
159	G	90.3	Very high	93.6	Very high	59 Å²	59	60 Å²	60	61%	0.608	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-65.1	164.5	156	0	0	0	0	0	111.7
160	F	94.6	Very high	93.5	Very high	104 Å²	104	61 Å²	61	46%	0.456	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-77.1	134.5	176.2	-62.8	-75.6	0	0	0	111.7	W98 L145 V147 F156	W98-F160 HydrophobicContact CD2-CE1 4.49Å; W98-F160 AromaticContact CE2-CE1 3.54Å; W98-F160 AromaticContact CZ2-CD1 3.74Å; W98-F160 HydrophobicContact CZ2-CD1 3.74Å; W98-F160 AromaticContact CZ2-CE1 3.72Å; W98-F160 HydrophobicContact CZ2-CE1 3.72Å; W98-F160 AromaticContact NE1-CD1 3.88Å; W98-F160 AromaticContact NE1-CE1 3.22Å; W98-F160 AromaticContact NE1-CZ 3.78Å; L145-F160 HydrophobicContact CD1-CB 4.44Å; L145-F160 HydrophobicContact CD1-CG 4.48Å; V147-F160 HydrophobicContact CB-CD1 3.8Å; V147-F160 HydrophobicContact CB-CE1 4Å; V147-F160 HydrophobicContact CG1-CE1 4.32Å; V147-F160 HydrophobicContact CG2-CD1 3.83Å; V147-F160 HydrophobicContact CG2-CE1 3.84Å; F156-F160 HydrophobicContact CD1-CE1 4.27Å; F156-F160 HydrophobicContact CD1-CZ 4.5Å; F156-F160 HydrophobicContact CD2-CZ 4.21Å; F156-F160 HydrophobicContact CE1-CE1 4.02Å; F156-F160 HydrophobicContact CE1-CZ 4.33Å; F156-F160 HydrophobicContact CE2-CZ 4.03Å; F156-F160 HydrophobicContact CG-CZ 4.43Å; F156-F160 HydrophobicContact CZ-CE1 4.14Å; F156-F160 HydrophobicContact CZ-CZ 4.07Å
161	E	94.9	Very high	93.4	Very high	59 Å²	59	60.6 Å²	60.6	28%	0.276	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	153.2	171.4	-59.6	-169.3	154.8	0	0	111.3	Y135 L145 C146 G163 R166	Y135-E161 PolarHBondContact OH-OE2 2.93Å; L145-E161 WeakPolarHBondContact CA-O 3.19Å; L145-E161 WeakPolarHBondContact CD2-O 3.3Å; C146-E161 HydrophobicContact CB-CB 4.36Å; C146-E161 PolarHBondContact N-O 2.93Å; C146-E161 PolarHBondContact O-N 2.97Å; E161-G163 PolarHBondContact O-N 2.82Å; E161-R166 IonicContact OE2-CZ 3.28Å; E161-R166 IonicContact OE2-NH1 2.73Å; E161-R166 PolarHBondContact OE2-NH1 3.49Å; E161-R166 IonicContact OE2-NH2 2.88Å
162	E	94.6	Very high	93.4	Very high	125 Å²	125	64.3 Å²	64.3	58%	0.584	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.2	170.4	-169.8	-179.2	170.4	0	0	110.1	R164	E162-R164 HydrophobicContact CG-CB 3.83Å; E162-R164 PolarHBondContact O-N 3.18Å; E162-R164 WeakPolarHBondContact OE1-CB 3.3Å; E162-R164 WeakPolarHBondContact OE1-CD 3.25Å
163	G	93.5	Very high	93.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.			trans	-80.2	9.6	-179.2	0	0	0	0	0	114.5	P144 C146 E161 R166 C167	P144-G163 WeakPolarHBondContact O-CA 3.5Å; P144-G163 PolarHBondContact O-N 2.91Å; C146-G163 VanDerWaalsContact SG-CA 3.58Å; E161-G163 PolarHBondContact O-N 2.82Å; G163-R166 WeakPolarHBondContact O-CB 3.12Å; G163-R166 PolarHBondContact O-N 3.2Å; G163-C167 PolarHBondContact O-N 3.37Å
164	R	92.8	Very high	93.7	Very high	119 Å²	119	50.7 Å²	50.7	45%	0.449	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	137.8	178.4	-176.1	171.2	-168.7	-149.6	1.3	110.5	E162 R166 Y169 E194	E162-R164 HydrophobicContact CG-CB 3.83Å; E162-R164 PolarHBondContact O-N 3.18Å; E162-R164 WeakPolarHBondContact OE1-CB 3.3Å; E162-R164 WeakPolarHBondContact OE1-CD 3.25Å; R164-R166 PolarHBondContact O-N 2.84Å; R164-Y169 WeakPolarHBondContact CD-OH 3.09Å; R164-Y169 HydrophobicContact CG-CE2 4.4Å; R164-Y169 WeakPolarHBondContact CG-OH 3.39Å; R164-E194 IonicContact CZ-OE1 3.8Å; R164-E194 IonicContact NE-OE1 2.62Å; R164-E194 PolarHBondContact NE-OE1 2.8Å; R164-E194 IonicContact NH2-OE1 2.71Å; R164-E194 PolarHBondContact NH2-OE1 2.72Å; R164-E194 IonicContact NH2-OE2 3.13Å
165	D	91.5	Very high	93.9	Very high	44 Å²	44	51.4 Å²	51.4	24%	0.235	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	1	-172.2	-62	-37.9	0	0	0	115.7	T189 Y193 R202 N204	D165-T189 PolarHBondContact O-OG1 3.39Å; D165-Y193 WeakPolarHBondContact O-CE1 3.31Å; D165-Y193 VanDerWaalsContact O-CZ 3.31Å; D165-R202 IonicContact OD1-CZ 3.04Å; D165-R202 IonicContact OD1-NH1 3.67Å; D165-R202 PolarHBondContact OD1-NH1 3.11Å; D165-R202 IonicContact OD1-NH2 2.73Å; D165-R202 PolarHBondContact OD1-NH2 3.46Å; D165-R202 IonicContact OD2-CZ 2.8Å; D165-R202 IonicContact OD2-NH1 2.81Å; D165-R202 PolarHBondContact OD2-NH1 3.15Å; D165-R202 IonicContact OD2-NH2 2.73Å; D165-N204 PolarHBondContact O-ND2 3.32Å
166	R	94.1	Very high	94	Very high	54 Å²	54	47.7 Å²	47.7	20%	0.204	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-25.4	177.2	-53.8	-179.6	-163.3	-166.3	8.8	112.9	Y135 E161 G163 R164 F175 M187 N204	Y135-R166 WeakPolarHBondContact OH-CD 3.35Å; Y135-R166 PolarHBondContact OH-NH1 3.26Å; E161-R166 IonicContact OE2-CZ 3.28Å; E161-R166 IonicContact OE2-NH1 2.73Å; E161-R166 PolarHBondContact OE2-NH1 3.49Å; E161-R166 IonicContact OE2-NH2 2.88Å; G163-R166 WeakPolarHBondContact O-CB 3.12Å; G163-R166 PolarHBondContact O-N 3.2Å; R164-R166 PolarHBondContact O-N 2.84Å; R166-F175 VanDerWaalsContact O-CE2 3.29Å; R166-F175 WeakPolarHBondContact O-CE2 2.94Å; R166-F175 WeakPolarHBondContact O-CZ 3.37Å; R166-M187 HydrophobicContact CB-CE 4.29Å; R166-M187 HydrophobicContact CB-SD 4.19Å; R166-M187 HydrophobicContact CG-SD 4.25Å; R166-N204 HydrophobicContact CG-CB 4.21Å
167	C	95.4	Very high	94	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-144.5	141.4	-176.6	176.1	0	0	0	0	109.2	C137 P144 G163	C137-C167 HydrophobicContact CB-CB 3.71Å; P144-C167 HydrophobicContact CB-CB 3.88Å; P144-C167 WeakPolarHBondContact CG-O 3.21Å; G163-C167 PolarHBondContact O-N 3.37Å
168	P	95.9	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.			trans	-67.3	151.1	179.4	28.9	-36.9	0	0	0	111.9	R124 T139 P144 K173 F175	R124-P168 HydrophobicContact CB-CG 4.44Å; R124-P168 HydrophobicContact CG-CG 4.06Å; T139-P168 WeakPolarHBondContact CG2-O 3.43Å; P144-P168 WeakPolarHBondContact CG-O 3.16Å; P168-K173 HydrophobicContact CB-CB 4.26Å; P168-F175 HydrophobicContact CG-CB 4.05Å; P168-F175 HydrophobicContact CG-CD2 4.36Å; P168-F175 HydrophobicContact CG-CG 4.24Å
169	Y	95.2	Very high	94.5	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.153	23%	0.231	C	C	.	.	S	Bend	trans	-78.5	-29.1	174.1	-74	-123.4	0	0	0	111.7	F142 P144 R164 Y193 E194	F142-Y169 HydrophobicContact CB-CD1 4.3Å; F142-Y169 WeakPolarHBondContact CD1-O 3.5Å; F142-Y169 WeakPolarHBondContact CG-O 3.42Å; F142-Y169 WeakPolarHBondContact O-CD1 3.42Å; P144-Y169 HydrophobicContact CG-CD1 4.38Å; P144-Y169 HydrophobicContact CG-CD2 3.54Å; P144-Y169 HydrophobicContact CG-CE2 3.84Å; P144-Y169 HydrophobicContact CG-CG 3.83Å; R164-Y169 WeakPolarHBondContact CD-OH 3.09Å; R164-Y169 HydrophobicContact CG-CE2 4.4Å; R164-Y169 WeakPolarHBondContact CG-OH 3.39Å; Y169-Y193 WeakPolarHBondContact CB-O 3.05Å; Y169-Y193 WeakPolarHBondContact CD2-O 3.19Å; Y169-Y193 PolarHBondContact N-O 2.96Å; Y169-E194 HydrophobicContact CD2-CG 4.03Å; Y169-E194 HydrophobicContact CE1-CG 4.47Å; Y169-E194 HydrophobicContact CE2-CG 3.71Å
170	D	94.1	Very high	94.5	Very high	22 Å²	22	40.8 Å²	40.8	12%	0.118	21%	0.206	C	C	.	.	S	Bend	trans	-106.8	119.5	-175.1	176.1	-11.3	0	0	0	109.2	F142 A172 K173	F142-D170 HydrophobicContact CE1-CB 3.77Å; F142-D170 HydrophobicContact CZ-CB 4.28Å; D170-A172 PolarHBondContact O-N 3.05Å; D170-A172 WeakPolarHBondContact OD1-CB 3.46Å; D170-A172 PolarHBondContact OD1-N 2.98Å; D170-K173 HydrophobicContact CB-CG 3.71Å; D170-K173 PolarHBondContact O-N 3.08Å; D170-K173 VanDerWaalsContact OD2-CE 3.3Å; D170-K173 WeakPolarHBondContact OD2-CE 3.44Å
171	P	94.1	Very high	93.6	Very high	21 Å²	21	37.9 Å²	37.9	14%	0.136	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.9	-176.6	29.2	-35.4	0	0	0	113.6	H122 R124 T139 K173	H122-P171 HydrophobicContact CB-CB 3.97Å; R124-P171 VanDerWaalsContact CZ-O 3.32Å; R124-P171 PolarHBondContact NH2-O 3.14Å; T139-P171 HydrophobicContact CG2-CB 4.2Å; P171-K173 VanDerWaalsContact C-N 3.29Å; P171-K173 PolarHBondContact O-N 3.18Å
172	A	93.1	Very high	91.8	Very high	87 Å²	87	41.7 Å²	41.7	72%	0.719	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	0.2	179	0	0	0	0	0	113.6	D170	D170-A172 PolarHBondContact O-N 3.05Å; D170-A172 WeakPolarHBondContact OD1-CB 3.46Å; D170-A172 PolarHBondContact OD1-N 2.98Å
173	K	94.5	Very high	89.8	Confident	52 Å²	52	40 Å²	40	23%	0.226	23%	0.225	C	C	.	.	S	Bend	trans	-85.1	136.1	178.2	-64	-68.6	174.1	174.2	0	112.2	R124 P168 D170 P171 F175 Q192	R124-K173 PolarHBondContact NH2-O 3.01Å; P168-K173 HydrophobicContact CB-CB 4.26Å; D170-K173 HydrophobicContact CB-CG 3.71Å; D170-K173 PolarHBondContact O-N 3.08Å; D170-K173 VanDerWaalsContact OD2-CE 3.3Å; D170-K173 WeakPolarHBondContact OD2-CE 3.44Å; P171-K173 VanDerWaalsContact C-N 3.29Å; P171-K173 PolarHBondContact O-N 3.18Å; K173-F175 PolarHBondContact O-N 2.73Å; K173-Q192 HydrophobicContact CD-CB 4.47Å
174	G	95.3	Very high	88.3	Confident	14 Å²	14	46.6 Å²	46.6	14%	0.144	26%	0.26	C	S	.	.			trans	-53.9	130.2	164.5	0	0	0	0	0	111.2	S191 D224 F225	G174-S191 PolarHBondContact O-OG 3.5Å; G174-S191 VanDerWaalsContact O-OG 3.07Å; G174-D224 VanDerWaalsContact CA-OD1 3.3Å; G174-D224 WeakPolarHBondContact CA-OD1 3.26Å; G174-D224 PolarHBondContact N-OD1 3.36Å; G174-F225 CarbonylContact C-O 3.55Å; G174-F225 WeakPolarHBondContact CA-O 3.09Å
175	F	97.3	Very high	87.6	Confident	24 Å²	24	41.1 Å²	41.1	11%	0.105	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	139.7	-176.4	170.1	-100.3	0	0	0	109.1	R124 F125 R166 P168 K173 T189 A190 F225	R124-F175 HydrophobicContact CB-CD1 4.08Å; R124-F175 HydrophobicContact CB-CE1 4.35Å; R124-F175 WeakPolarHBondContact O-CD1 3.23Å; R124-F175 WeakPolarHBondContact O-CE1 3.38Å; F125-F175 HydrophobicContact CB-CE1 3.96Å; F125-F175 HydrophobicContact CB-CZ 4.16Å; F125-F175 AromaticContact CD2-CE1 4Å; F125-F175 HydrophobicContact CD2-CE1 4Å; F125-F175 HydrophobicContact CD2-CZ 4.02Å; F125-F175 HydrophobicContact CG-CE1 4.49Å; R166-F175 VanDerWaalsContact O-CE2 3.29Å; R166-F175 WeakPolarHBondContact O-CE2 2.94Å; R166-F175 WeakPolarHBondContact O-CZ 3.37Å; P168-F175 HydrophobicContact CG-CB 4.05Å; P168-F175 HydrophobicContact CG-CD2 4.36Å; P168-F175 HydrophobicContact CG-CG 4.24Å; K173-F175 PolarHBondContact O-N 2.73Å; F175-T189 HydrophobicContact CE2-CG2 4.04Å; F175-T189 HydrophobicContact CZ-CG2 4.09Å; F175-A190 WeakPolarHBondContact CA-O 3.31Å; F175-F225 PolarHBondContact N-O 2.96Å
176	T	97.6	Very high	87.6	Confident	17 Å²	17	40.7 Å²	40.7	10%	0.104	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.8	167.4	-170.2	0	0	0	0	109.6	T189 A190 F225 G227 S228 F247	T176-T189 CarbonylContact O-C 3.48Å; T176-T189 WeakPolarHBondContact O-CA 3.43Å; T176-A190 HydrophobicContact CG2-CB 3.99Å; T176-A190 PolarHBondContact N-O 3.38Å; T176-A190 PolarHBondContact O-N 2.85Å; T176-F225 HydrophobicContact CG2-CB 4.36Å; T176-G227 VanDerWaalsContact OG1-C 3.3Å; T176-G227 WeakPolarHBondContact OG1-CA 3.47Å; T176-S228 PolarHBondContact OG1-N 3.16Å; T176-S228 VanDerWaalsContact OG1-N 3.08Å; T176-S228 PolarHBondContact OG1-OG 3.09Å; T176-F247 HydrophobicContact CG2-CD1 4.15Å
177	G	95.8	Very high	87.6	Confident	6 Å²	6	38.1 Å²	38.1	6%	0.062	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	162.6	174.7	0	0	0	0	0	112.7	Q127 F188	Q127-G177 PolarHBondContact NE2-O 2.88Å; G177-F188 CarbonylContact C-O 3.56Å; G177-F188 WeakPolarHBondContact CA-O 3.42Å
178	L	95.3	Very high	87.7	Confident	30 Å²	30	38.1 Å²	38.1	16%	0.157	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.3	-179.9	-65.3	169.3	0	0	0	109.2	I180 M187 F188 L230 I245	L178-I180 HydrophobicContact CB-CD1 4.18Å; L178-I180 HydrophobicContact CB-CG1 4.13Å; L178-M187 WeakPolarHBondContact O-CA 3.48Å; L178-F188 PolarHBondContact N-O 2.81Å; L178-F188 PolarHBondContact O-N 3.14Å; L178-L230 HydrophobicContact CD1-CB 4.47Å; L178-I245 HydrophobicContact CD1-CG2 3.68Å
179	L	94	Very high	87.7	Confident	21 Å²	21	38.1 Å²	38.1	11%	0.11	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.5	172.9	-179.8	60.3	0	0	0	107.5	F125 Q127 F129 Y135 E186 M187 F205	F125-L179 HydrophobicContact CE1-CD2 4.41Å; F125-L179 HydrophobicContact CZ-CB 3.93Å; Q127-L179 HydrophobicContact CB-CB 4.37Å; Q127-L179 HydrophobicContact CB-CD2 4.46Å; F129-L179 HydrophobicContact CB-CD2 3.91Å; F129-L179 HydrophobicContact CD2-CD1 4.21Å; F129-L179 HydrophobicContact CD2-CD2 4Å; F129-L179 HydrophobicContact CD2-CG 4.49Å; F129-L179 HydrophobicContact CG-CD2 4.46Å; Y135-L179 HydrophobicContact CD1-CD2 4.48Å; L179-E186 WeakPolarHBondContact CA-O 3.11Å; L179-M187 HydrophobicContact CD1-CB 4.16Å; L179-F205 HydrophobicContact CD1-CE2 4.24Å; L179-F205 HydrophobicContact CD1-CZ 4.18Å
180	I	90.7	Very high	87.9	Confident	19 Å²	19	36.2 Å²	36.2	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.4	-164.3	-55.9	173.6	0	0	0	109.9	L178 E186 F188 L230 I245	L178-I180 HydrophobicContact CB-CD1 4.18Å; L178-I180 HydrophobicContact CB-CG1 4.13Å; I180-E186 HydrophobicContact CB-CB 4.42Å; I180-E186 PolarHBondContact N-O 3.13Å; I180-E186 WeakPolarHBondContact O-CB 3.08Å; I180-E186 PolarHBondContact O-N 3.19Å; I180-F188 HydrophobicContact CB-CE2 4.48Å; I180-F188 HydrophobicContact CD1-CD2 3.81Å; I180-F188 HydrophobicContact CD1-CE2 3.8Å; I180-F188 HydrophobicContact CG1-CD2 4.38Å; I180-F188 HydrophobicContact CG1-CE2 4.42Å; I180-L230 HydrophobicContact CD1-CB 4.22Å; I180-L230 HydrophobicContact CD1-CD1 4.13Å; I180-L230 HydrophobicContact CD1-CD2 4.1Å; I180-L230 HydrophobicContact CD1-CG 4.37Å; I180-L230 HydrophobicContact CG1-CD2 4.4Å; I180-L230 HydrophobicContact CG2-CD2 3.87Å; I180-I245 HydrophobicContact CD1-CD1 3.59Å; I180-I245 HydrophobicContact CD1-CG1 4.13Å
181	G	75.9	Confident	88	Confident	42 Å²	42	35.2 Å²	35.2	43%	0.433	22%	0.215	S	C	.	.	S	Bend	trans	84.5	148.4	-178.5	0	0	0	0	0	112.8
182	H	57.9	Low	88.1	Confident	140 Å²	140	36.3 Å²	36.3	65%	0.648	22%	0.218	S	C	*	.	S	Bend	trans	-89.6	171.1	177.1	-57.8	-61.4	0	0	0	111.1	D184	H182-D184 VanDerWaalsContact C-N 3.28Å; H182-D184 PolarHBondContact O-N 2.75Å
183	S	53	Low	88	Confident	88 Å²	88	32.3 Å²	32.3	62%	0.615	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	-60.2	-176	57.1	0	0	0	0	117.6	F129	F129-S183 WeakPolarHBondContact CZ-O 3.18Å
184	D	62	Low	87.7	Confident	140 Å²	140	32.7 Å²	32.7	75%	0.749	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-35.1	-174.9	-67.1	-36	0	0	0	113.1	H182	H182-D184 VanDerWaalsContact C-N 3.28Å; H182-D184 PolarHBondContact O-N 2.75Å
185	G	76.4	Confident	87	Confident	4 Å²	4	38.9 Å²	38.9	4%	0.041	21%	0.21	C	C	.	.			trans	71.7	133.2	179.2	0	0	0	0	0	115	F205	G185-F205 WeakPolarHBondContact O-CD2 3.33Å; G185-F205 WeakPolarHBondContact O-CE2 3.39Å
186	E	91.4	Very high	86.2	Confident	34 Å²	34	49 Å²	49	16%	0.159	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.3	169.7	-58.3	176.4	-119.2	0	0	109	L179 I180 F188 F205 P206 K273	L179-E186 WeakPolarHBondContact CA-O 3.11Å; I180-E186 HydrophobicContact CB-CB 4.42Å; I180-E186 PolarHBondContact N-O 3.13Å; I180-E186 WeakPolarHBondContact O-CB 3.08Å; I180-E186 PolarHBondContact O-N 3.19Å; E186-F188 HydrophobicContact CB-CD2 4.4Å; E186-F188 HydrophobicContact CB-CE2 3.55Å; E186-F188 HydrophobicContact CB-CZ 4.21Å; E186-F188 WeakPolarHBondContact O-CD2 3.39Å; E186-F205 WeakPolarHBondContact CA-O 3.24Å; E186-P206 HydrophobicContact CG-CG 4.42Å; E186-K273 WeakPolarHBondContact OE1-CE 3.37Å; E186-K273 IonicContact OE1-NZ 2.75Å; E186-K273 PolarHBondContact OE1-NZ 2.8Å; E186-K273 VanDerWaalsContact OE2-CE 3.23Å; E186-K273 WeakPolarHBondContact OE2-CE 3.42Å; E186-K273 IonicContact OE2-NZ 2.7Å
187	M	94.3	Very high	85.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.8	-179.5	-173.5	-175.2	-156.7	0	0	111.1	F125 Y135 R166 L178 L179 T189 R203 N204 F205	F125-M187 HydrophobicContact CD1-CE 4Å; F125-M187 HydrophobicContact CD2-CE 4.14Å; F125-M187 HydrophobicContact CE1-CE 4.02Å; F125-M187 HydrophobicContact CE2-CE 4.15Å; F125-M187 HydrophobicContact CG-CE 4.06Å; F125-M187 HydrophobicContact CZ-CE 4.09Å; Y135-M187 HydrophobicContact CD1-CE 4.36Å; Y135-M187 HydrophobicContact CE1-CE 3.81Å; Y135-M187 HydrophobicContact CE1-SD 3.82Å; R166-M187 HydrophobicContact CB-CE 4.29Å; R166-M187 HydrophobicContact CB-SD 4.19Å; R166-M187 HydrophobicContact CG-SD 4.25Å; L178-M187 WeakPolarHBondContact O-CA 3.48Å; L179-M187 HydrophobicContact CD1-CB 4.16Å; M187-T189 HydrophobicContact CE-CG2 3.68Å; M187-T189 HydrophobicContact CG-CG2 4.12Å; M187-T189 HydrophobicContact SD-CG2 4.27Å; M187-R203 CarbonylContact O-C 3.16Å; M187-R203 WeakPolarHBondContact O-CA 3.47Å; M187-N204 HydrophobicContact CB-CB 4.21Å; M187-N204 HydrophobicContact CG-CB 4.3Å; M187-N204 PolarHBondContact O-N 2.71Å; M187-N204 HydrophobicContact SD-CB 4.26Å; M187-F205 HydrophobicContact CB-CD1 3.83Å; M187-F205 HydrophobicContact CB-CD2 4.4Å; M187-F205 HydrophobicContact CB-CE1 3.37Å; M187-F205 HydrophobicContact CB-CE2 4Å; M187-F205 HydrophobicContact CB-CG 4.32Å; M187-F205 HydrophobicContact CB-CZ 3.48Å; M187-F205 VanDerWaalsContact CB-CZ 3.48Å; M187-F205 HydrophobicContact CG-CE1 4.13Å; M187-F205 HydrophobicContact CG-CZ 4.42Å; M187-F205 PolarHBondContact N-O 2.76Å; M187-F205 HydrophobicContact SD-CE1 3.74Å; M187-F205 HydrophobicContact SD-CZ 4.34Å
188	F	97	Very high	85.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.7	174	-56.5	-102.5	0	0	0	109.1	G177 L178 I180 E186 R202 R203 I245 F247 K273 W286	G177-F188 CarbonylContact C-O 3.56Å; G177-F188 WeakPolarHBondContact CA-O 3.42Å; L178-F188 PolarHBondContact N-O 2.81Å; L178-F188 PolarHBondContact O-N 3.14Å; I180-F188 HydrophobicContact CB-CE2 4.48Å; I180-F188 HydrophobicContact CD1-CD2 3.81Å; I180-F188 HydrophobicContact CD1-CE2 3.8Å; I180-F188 HydrophobicContact CG1-CD2 4.38Å; I180-F188 HydrophobicContact CG1-CE2 4.42Å; E186-F188 HydrophobicContact CB-CD2 4.4Å; E186-F188 HydrophobicContact CB-CE2 3.55Å; E186-F188 HydrophobicContact CB-CZ 4.21Å; E186-F188 WeakPolarHBondContact O-CD2 3.39Å; F188-R202 CarbonylContact C-O 3.58Å; F188-R202 WeakPolarHBondContact CA-O 3.44Å; F188-R203 HydrophobicContact CD1-CB 3.89Å; F188-R203 HydrophobicContact CD1-CG 4.12Å; F188-R203 HydrophobicContact CE1-CB 3.93Å; F188-R203 HydrophobicContact CE1-CG 3.9Å; F188-R203 HydrophobicContact CZ-CG 4.17Å; F188-I245 HydrophobicContact CB-CD1 4.19Å; F188-I245 HydrophobicContact CD1-CD1 3.45Å; F188-I245 VanDerWaalsContact CD1-CD1 3.45Å; F188-I245 HydrophobicContact CD2-CD1 3.54Å; F188-I245 HydrophobicContact CE1-CD1 3.52Å; F188-I245 HydrophobicContact CE2-CD1 3.63Å; F188-I245 HydrophobicContact CG-CD1 3.46Å; F188-I245 VanDerWaalsContact CG-CD1 3.46Å; F188-I245 HydrophobicContact CZ-CD1 3.63Å; F188-F247 HydrophobicContact CB-CZ 4.42Å; F188-K273 HydrophobicContact CZ-CG 4.12Å; F188-W286 AromaticContact CD1-CH2 3.82Å; F188-W286 HydrophobicContact CD1-CH2 3.82Å; F188-W286 HydrophobicContact CD1-CZ2 4.47Å; F188-W286 AromaticContact CE1-CH2 3.81Å; F188-W286 HydrophobicContact CE1-CH2 3.81Å; F188-W286 HydrophobicContact CE1-CZ3 4.47Å
189	T	97.7	Very high	85.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.2	-179.7	58.6	0	0	0	0	111.9	D165 F175 T176 M187 Y193 I201 R202 N204	D165-T189 PolarHBondContact O-OG1 3.39Å; F175-T189 HydrophobicContact CE2-CG2 4.04Å; F175-T189 HydrophobicContact CZ-CG2 4.09Å; T176-T189 CarbonylContact O-C 3.48Å; T176-T189 WeakPolarHBondContact O-CA 3.43Å; M187-T189 HydrophobicContact CE-CG2 3.68Å; M187-T189 HydrophobicContact CG-CG2 4.12Å; M187-T189 HydrophobicContact SD-CG2 4.27Å; T189-Y193 VanDerWaalsContact C-OH 3.32Å; T189-Y193 VanDerWaalsContact CB-OH 3.29Å; T189-Y193 WeakPolarHBondContact CB-OH 3.41Å; T189-Y193 PolarHBondContact O-OH 2.87Å; T189-Y193 PolarHBondContact OG1-OH 2.69Å; T189-I201 CarbonylContact O-C 3.32Å; T189-I201 WeakPolarHBondContact O-CA 3.07Å; T189-R202 PolarHBondContact N-O 3.22Å; T189-R202 PolarHBondContact O-N 3.47Å; T189-N204 WeakPolarHBondContact CG2-OD1 3.26Å; T189-N204 PolarHBondContact OG1-OD1 3.49Å
190	A	98.2	Very high	85.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	126.2	173.9	0	0	0	0	0	111.4	F175 T176 Y193 D200 I201 F225 F247	F175-A190 WeakPolarHBondContact CA-O 3.31Å; T176-A190 HydrophobicContact CG2-CB 3.99Å; T176-A190 PolarHBondContact N-O 3.38Å; T176-A190 PolarHBondContact O-N 2.85Å; A190-Y193 PolarHBondContact N-OH 2.71Å; A190-D200 WeakPolarHBondContact CA-O 3.33Å; A190-I201 HydrophobicContact CB-CB 4.29Å; A190-I201 HydrophobicContact CB-CG1 3.6Å; A190-F225 HydrophobicContact CB-CD1 3.56Å; A190-F225 HydrophobicContact CB-CD2 4.21Å; A190-F225 HydrophobicContact CB-CE1 3.63Å; A190-F225 HydrophobicContact CB-CE2 4.23Å; A190-F225 HydrophobicContact CB-CG 3.87Å; A190-F225 HydrophobicContact CB-CZ 3.94Å; A190-F247 HydrophobicContact CB-CD1 3.78Å; A190-F247 HydrophobicContact CB-CE1 3.98Å
191	S	97.3	Very high	85.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	173.8	-179	-150.9	0	0	0	0	113.3	G174 P199 D200 F225	G174-S191 PolarHBondContact O-OG 3.5Å; G174-S191 VanDerWaalsContact O-OG 3.07Å; S191-P199 VanDerWaalsContact O-CA 3.29Å; S191-P199 WeakPolarHBondContact O-CA 3.47Å; S191-D200 PolarHBondContact N-O 2.84Å; S191-D200 PolarHBondContact O-N 3.4Å; S191-F225 VanDerWaalsContact CA-CD2 3.5Å
192	Q	94.6	Very high	86.8	Confident	45 Å²	45	48.2 Å²	48.2	21%	0.21	24%	0.235	C	C	.	.			trans	-98.3	96.7	150	-173	-173.5	30.1	0	0	108	K173 S197 P199	K173-Q192 HydrophobicContact CD-CB 4.47Å; Q192-S197 WeakPolarHBondContact CG-O 3.39Å; Q192-S197 PolarHBondContact NE2-O 2.87Å; Q192-P199 HydrophobicContact CB-CB 4.28Å
193	Y	91.3	Very high	88.6	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.008	21%	0.205	C	C	.	.			trans	-69.7	-54.9	-169.6	-58.5	-89.5	0	0	0	112.7	D165 Y169 T189 A190 S197 D200	D165-Y193 WeakPolarHBondContact O-CE1 3.31Å; D165-Y193 VanDerWaalsContact O-CZ 3.31Å; Y169-Y193 WeakPolarHBondContact CB-O 3.05Å; Y169-Y193 WeakPolarHBondContact CD2-O 3.19Å; Y169-Y193 PolarHBondContact N-O 2.96Å; T189-Y193 VanDerWaalsContact C-OH 3.32Å; T189-Y193 VanDerWaalsContact CB-OH 3.29Å; T189-Y193 WeakPolarHBondContact CB-OH 3.41Å; T189-Y193 PolarHBondContact O-OH 2.87Å; T189-Y193 PolarHBondContact OG1-OH 2.69Å; A190-Y193 PolarHBondContact N-OH 2.71Å; Y193-S197 PolarHBondContact N-OG 3.32Å; Y193-D200 VanDerWaalsContact CE2-OD1 3.28Å; Y193-D200 WeakPolarHBondContact CE2-OD1 3.41Å
194	E	88.9	Confident	90.6	Very high	61 Å²	61	38.5 Å²	38.5	29%	0.285	18%	0.181	S	C	.	.	S	Bend	trans	-104.8	148.6	179.5	-64.9	-178.1	-144.5	0	0	111.3	R164 Y169 R196 S197	R164-E194 IonicContact CZ-OE1 3.8Å; R164-E194 IonicContact NE-OE1 2.62Å; R164-E194 PolarHBondContact NE-OE1 2.8Å; R164-E194 IonicContact NH2-OE1 2.71Å; R164-E194 PolarHBondContact NH2-OE1 2.72Å; R164-E194 IonicContact NH2-OE2 3.13Å; Y169-E194 HydrophobicContact CD2-CG 4.03Å; Y169-E194 HydrophobicContact CE1-CG 4.47Å; Y169-E194 HydrophobicContact CE2-CG 3.71Å; E194-R196 PolarHBondContact O-N 2.74Å; E194-S197 PolarHBondContact N-OG 2.94Å; E194-S197 WeakPolarHBondContact O-CB 3.09Å; E194-S197 PolarHBondContact O-N 3.25Å; E194-S197 PolarHBondContact O-OG 2.97Å
195	F	79.6	Confident	91.9	Very high	144 Å²	144	33.5 Å²	33.5	63%	0.632	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.8	-177.4	178.9	-101.1	0	0	0	115
196	R	80.6	Confident	92.5	Very high	237 Å²	237	35.9 Å²	35.9	89%	0.894	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	0.2	176.7	-65.9	-174.7	178.1	171.2	-0.4	114.1	E194	E194-R196 PolarHBondContact O-N 2.74Å
197	S	85.4	Confident	92	Very high	27 Å²	27	41.2 Å²	41.2	19%	0.189	19%	0.19	C	C	.	.	S	Bend	trans	-77.9	150.1	176.9	64.9	0	0	0	0	111.6	Q192 Y193 E194	Q192-S197 WeakPolarHBondContact CG-O 3.39Å; Q192-S197 PolarHBondContact NE2-O 2.87Å; Y193-S197 PolarHBondContact N-OG 3.32Å; E194-S197 PolarHBondContact N-OG 2.94Å; E194-S197 WeakPolarHBondContact O-CB 3.09Å; E194-S197 PolarHBondContact O-N 3.25Å; E194-S197 PolarHBondContact O-OG 2.97Å
198	S	90.7	Very high	91.7	Very high	40 Å²	40	41.5 Å²	41.5	28%	0.28	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-72.3	148.3	160.1	-51.9	0	0	0	0	109.5	D200 E214	S198-D200 PolarHBondContact O-N 2.54Å; S198-E214 WeakPolarHBondContact CB-OE1 3.47Å; S198-E214 WeakPolarHBondContact OG-CG 3.29Å; S198-E214 PolarHBondContact OG-OE1 2.92Å
199	P	95.1	Very high	91.6	Very high	13 Å²	13	44.5 Å²	44.5	8%	0.084	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-62.6	135.5	171.3	25.8	-32.9	0	0	0	110.8	S191 Q192 L220 A223 F225	S191-P199 VanDerWaalsContact O-CA 3.29Å; S191-P199 WeakPolarHBondContact O-CA 3.47Å; Q192-P199 HydrophobicContact CB-CB 4.28Å; P199-L220 HydrophobicContact CG-CB 4.2Å; P199-L220 WeakPolarHBondContact O-CD1 3.49Å; P199-A223 HydrophobicContact CB-CB 4.11Å; P199-A223 HydrophobicContact CG-CB 3.99Å; P199-F225 HydrophobicContact CB-CE2 3.87Å; P199-F225 HydrophobicContact CB-CZ 4.43Å
200	D	96.4	Very high	91.5	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.9	173.7	56.2	14.8	0	0	0	114.8	A190 S191 Y193 S198 R202 R211 T212	A190-D200 WeakPolarHBondContact CA-O 3.33Å; S191-D200 PolarHBondContact N-O 2.84Å; S191-D200 PolarHBondContact O-N 3.4Å; Y193-D200 VanDerWaalsContact CE2-OD1 3.28Å; Y193-D200 WeakPolarHBondContact CE2-OD1 3.41Å; S198-D200 PolarHBondContact O-N 2.54Å; D200-R202 IonicContact OD1-CZ 3.96Å; D200-R202 IonicContact OD1-NE 3.2Å; D200-R202 PolarHBondContact OD1-NE 2.83Å; D200-R202 IonicContact OD1-NH2 2.91Å; D200-R202 PolarHBondContact OD1-NH2 2.63Å; D200-R202 IonicContact OD2-CZ 3.22Å; D200-R202 IonicContact OD2-NE 3.24Å; D200-R202 PolarHBondContact OD2-NE 3.3Å; D200-R202 VanDerWaalsContact OD2-NE 3.13Å; D200-R202 IonicContact OD2-NH2 2.84Å; D200-R202 PolarHBondContact OD2-NH2 3.28Å; D200-R202 VanDerWaalsContact OD2-NH2 3.14Å; D200-R211 WeakPolarHBondContact OD2-CD 3.28Å; D200-R211 IonicContact OD2-CZ 3.55Å; D200-R211 IonicContact OD2-NE 3.2Å; D200-R211 IonicContact OD2-NH1 3.42Å; D200-R211 PolarHBondContact OD2-NH1 2.92Å; D200-T212 VanDerWaalsContact CA-OG1 3.29Å; D200-T212 WeakPolarHBondContact CA-OG1 3.27Å; D200-T212 WeakPolarHBondContact CB-OG1 3.06Å
201	I	98.1	Very high	91.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131	170.7	-66.5	155.3	0	0	0	107.7	T189 A190 R211 T212 L220 F225 F247 W286 F289	T189-I201 CarbonylContact O-C 3.32Å; T189-I201 WeakPolarHBondContact O-CA 3.07Å; A190-I201 HydrophobicContact CB-CB 4.29Å; A190-I201 HydrophobicContact CB-CG1 3.6Å; I201-R211 CarbonylContact O-C 3.6Å; I201-R211 VanDerWaalsContact O-CA 3.31Å; I201-R211 WeakPolarHBondContact O-CA 3.29Å; I201-T212 HydrophobicContact CB-CG2 3.9Å; I201-T212 HydrophobicContact CD1-CG2 4.48Å; I201-T212 PolarHBondContact N-OG1 3.34Å; I201-T212 PolarHBondContact O-N 3.15Å; I201-L220 HydrophobicContact CD1-CD1 4.32Å; I201-L220 HydrophobicContact CG1-CD1 4.37Å; I201-F225 HydrophobicContact CD1-CE1 4Å; I201-F225 HydrophobicContact CD1-CZ 4.49Å; I201-F225 HydrophobicContact CG1-CE1 3.71Å; I201-F225 HydrophobicContact CG1-CZ 3.96Å; I201-F247 HydrophobicContact CD1-CB 4.03Å; I201-F247 HydrophobicContact CD1-CD2 4.27Å; I201-F247 HydrophobicContact CD1-CG 4.04Å; I201-F247 HydrophobicContact CG1-CD1 4.25Å; I201-F247 HydrophobicContact CG1-CG 4.23Å; I201-F247 HydrophobicContact CG2-CD1 4.14Å; I201-F247 HydrophobicContact CG2-CD2 3.88Å; I201-F247 HydrophobicContact CG2-CE1 3.81Å; I201-F247 HydrophobicContact CG2-CE2 3.5Å; I201-F247 HydrophobicContact CG2-CG 4.18Å; I201-F247 HydrophobicContact CG2-CZ 3.47Å; I201-F247 VanDerWaalsContact CG2-CZ 3.47Å; I201-W286 PolarHBondContact O-NE1 2.87Å; I201-F289 HydrophobicContact CD1-CD2 4.43Å; I201-F289 HydrophobicContact CD1-CE2 3.65Å; I201-F289 HydrophobicContact CD1-CZ 4.48Å
202	R	96.6	Very high	91.4	Very high	35 Å²	35	48 Å²	48	13%	0.132	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.1	-169.7	-57.2	-163.4	179.1	-160.1	20.2	114.5	D165 F188 T189 D200 L210 R211	D165-R202 IonicContact OD1-CZ 3.04Å; D165-R202 IonicContact OD1-NH1 3.67Å; D165-R202 PolarHBondContact OD1-NH1 3.11Å; D165-R202 IonicContact OD1-NH2 2.73Å; D165-R202 PolarHBondContact OD1-NH2 3.46Å; D165-R202 IonicContact OD2-CZ 2.8Å; D165-R202 IonicContact OD2-NH1 2.81Å; D165-R202 PolarHBondContact OD2-NH1 3.15Å; D165-R202 IonicContact OD2-NH2 2.73Å; F188-R202 CarbonylContact C-O 3.58Å; F188-R202 WeakPolarHBondContact CA-O 3.44Å; T189-R202 PolarHBondContact N-O 3.22Å; T189-R202 PolarHBondContact O-N 3.47Å; D200-R202 IonicContact OD1-CZ 3.96Å; D200-R202 IonicContact OD1-NE 3.2Å; D200-R202 PolarHBondContact OD1-NE 2.83Å; D200-R202 IonicContact OD1-NH2 2.91Å; D200-R202 PolarHBondContact OD1-NH2 2.63Å; D200-R202 IonicContact OD2-CZ 3.22Å; D200-R202 IonicContact OD2-NE 3.24Å; D200-R202 PolarHBondContact OD2-NE 3.3Å; D200-R202 VanDerWaalsContact OD2-NE 3.13Å; D200-R202 IonicContact OD2-NH2 2.84Å; D200-R202 PolarHBondContact OD2-NH2 3.28Å; D200-R202 VanDerWaalsContact OD2-NH2 3.14Å; R202-L210 CarbonylContact C-O 3.55Å; R202-L210 WeakPolarHBondContact CA-O 3.49Å; R202-R211 HydrophobicContact CG-CB 3.83Å
203	R	96.3	Very high	91.3	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.1	149.4	-174.7	173.6	65.9	-137.5	-8.2	107.9	M187 F188 F205 P208 T209 L210 K273 D275 W286	M187-R203 CarbonylContact O-C 3.16Å; M187-R203 WeakPolarHBondContact O-CA 3.47Å; F188-R203 HydrophobicContact CD1-CB 3.89Å; F188-R203 HydrophobicContact CD1-CG 4.12Å; F188-R203 HydrophobicContact CE1-CB 3.93Å; F188-R203 HydrophobicContact CE1-CG 3.9Å; F188-R203 HydrophobicContact CZ-CG 4.17Å; R203-F205 WeakPolarHBondContact CG-O 3.4Å; R203-P208 PolarHBondContact NH2-O 3.16Å; R203-P208 VanDerWaalsContact NH2-O 3.16Å; R203-T209 VanDerWaalsContact O-CA 3.29Å; R203-T209 WeakPolarHBondContact O-CA 3.4Å; R203-T209 WeakPolarHBondContact O-CB 3.35Å; R203-L210 PolarHBondContact N-O 2.73Å; R203-L210 PolarHBondContact O-N 2.99Å; R203-K273 PolarHBondContact NH1-O 3.14Å; R203-D275 PolarHBondContact NH1-O 3.01Å; R203-D275 PolarHBondContact NH2-O 3.24Å; R203-W286 HydrophobicContact CB-CH2 3.86Å; R203-W286 HydrophobicContact CB-CZ2 4.23Å
204	N	93.9	Very high	91.1	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-34	-175.3	-63.9	95.3	0	0	0	112.6	D165 R166 M187 T189 T209	D165-N204 PolarHBondContact O-ND2 3.32Å; R166-N204 HydrophobicContact CG-CB 4.21Å; M187-N204 HydrophobicContact CB-CB 4.21Å; M187-N204 HydrophobicContact CG-CB 4.3Å; M187-N204 PolarHBondContact O-N 2.71Å; M187-N204 HydrophobicContact SD-CB 4.26Å; T189-N204 WeakPolarHBondContact CG2-OD1 3.26Å; T189-N204 PolarHBondContact OG1-OD1 3.49Å; N204-T209 VanDerWaalsContact O-CG2 3.23Å; N204-T209 WeakPolarHBondContact O-CG2 3.46Å
205	F	90.5	Very high	90.6	Very high	34 Å²	34	49.7 Å²	49.7	15%	0.149	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	157.6	170.2	53.6	-90.9	0	0	0	108.7	L179 G185 E186 M187 R203	L179-F205 HydrophobicContact CD1-CE2 4.24Å; L179-F205 HydrophobicContact CD1-CZ 4.18Å; G185-F205 WeakPolarHBondContact O-CD2 3.33Å; G185-F205 WeakPolarHBondContact O-CE2 3.39Å; E186-F205 WeakPolarHBondContact CA-O 3.24Å; M187-F205 HydrophobicContact CB-CD1 3.83Å; M187-F205 HydrophobicContact CB-CD2 4.4Å; M187-F205 HydrophobicContact CB-CE1 3.37Å; M187-F205 HydrophobicContact CB-CE2 4Å; M187-F205 HydrophobicContact CB-CG 4.32Å; M187-F205 HydrophobicContact CB-CZ 3.48Å; M187-F205 VanDerWaalsContact CB-CZ 3.48Å; M187-F205 HydrophobicContact CG-CE1 4.13Å; M187-F205 HydrophobicContact CG-CZ 4.42Å; M187-F205 PolarHBondContact N-O 2.76Å; M187-F205 HydrophobicContact SD-CE1 3.74Å; M187-F205 HydrophobicContact SD-CZ 4.34Å; R203-F205 WeakPolarHBondContact CG-O 3.4Å
206	P	88.2	Confident	90.7	Very high	55 Å²	55	47.8 Å²	47.8	36%	0.357	25%	0.246	S	C	.	.	S	Bend	cis	-68.2	170.3	-2.6	29.5	-37.3	0	0	0	113.9	E186 P208	E186-P206 HydrophobicContact CG-CG 4.42Å; P206-P208 CarbonylContact O-C 3.27Å
207	F	82.5	Confident	90.7	Very high	146 Å²	146	39 Å²	39	64%	0.64	22%	0.218	S	C	*	.	S	Bend	trans	-73.5	138.3	176.1	-177.4	-87.8	0	0	0	111.1
208	P	87.5	Confident	90.7	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.039	24%	0.236	C	C	.	.	S	Bend	cis	-78.3	142.8	5.1	34.7	-36.7	0	0	0	112.2	R203 P206 W276	R203-P208 PolarHBondContact NH2-O 3.16Å; R203-P208 VanDerWaalsContact NH2-O 3.16Å; P206-P208 CarbonylContact O-C 3.27Å; P208-W276 VanDerWaalsContact CD-CE3 3.43Å; P208-W276 VanDerWaalsContact CD-CZ3 3.43Å; P208-W276 HydrophobicContact CG-CE3 4.09Å
209	T	93.9	Very high	90.9	Very high	62 Å²	62	43 Å²	43	38%	0.38	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-61.9	138.2	162.4	51.5	0	0	0	0	109.9	R203 N204	R203-T209 VanDerWaalsContact O-CA 3.29Å; R203-T209 WeakPolarHBondContact O-CA 3.4Å; R203-T209 WeakPolarHBondContact O-CB 3.35Å; N204-T209 VanDerWaalsContact O-CG2 3.23Å; N204-T209 WeakPolarHBondContact O-CG2 3.46Å
210	L	96.5	Very high	90.9	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.9	172.7	-61.1	-175.6	0	0	0	108.8	R202 R203 D275 R284 W286	R202-L210 CarbonylContact C-O 3.55Å; R202-L210 WeakPolarHBondContact CA-O 3.49Å; R203-L210 PolarHBondContact N-O 2.73Å; R203-L210 PolarHBondContact O-N 2.99Å; L210-D275 HydrophobicContact CD1-CB 3.9Å; L210-D275 VanDerWaalsContact CD1-O 3.29Å; L210-D275 WeakPolarHBondContact CD1-O 3.44Å; L210-R284 WeakPolarHBondContact CA-O 3.41Å; L210-W286 HydrophobicContact CB-CD2 3.94Å; L210-W286 HydrophobicContact CB-CE3 4.09Å; L210-W286 HydrophobicContact CB-CH2 4.21Å; L210-W286 HydrophobicContact CB-CZ2 4.07Å; L210-W286 HydrophobicContact CB-CZ3 4.23Å; L210-W286 HydrophobicContact CD1-CD2 4.18Å; L210-W286 HydrophobicContact CD1-CE3 3.55Å; L210-W286 HydrophobicContact CD1-CH2 4.35Å; L210-W286 HydrophobicContact CD1-CZ3 3.64Å; L210-W286 HydrophobicContact CG-CE3 4.48Å
211	R	95.9	Very high	90.8	Very high	69 Å²	69	44.4 Å²	44.4	26%	0.26	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	167.9	168.9	73.8	-173.2	-162.5	99.6	-1.8	112.3	D200 I201 R202 E214 R284 K285 W286	D200-R211 WeakPolarHBondContact OD2-CD 3.28Å; D200-R211 IonicContact OD2-CZ 3.55Å; D200-R211 IonicContact OD2-NE 3.2Å; D200-R211 IonicContact OD2-NH1 3.42Å; D200-R211 PolarHBondContact OD2-NH1 2.92Å; I201-R211 CarbonylContact O-C 3.6Å; I201-R211 VanDerWaalsContact O-CA 3.31Å; I201-R211 WeakPolarHBondContact O-CA 3.29Å; R202-R211 HydrophobicContact CG-CB 3.83Å; R211-E214 IonicContact CZ-OE2 2.81Å; R211-E214 VanDerWaalsContact CZ-OE2 3.28Å; R211-E214 IonicContact NH1-OE2 2.71Å; R211-E214 PolarHBondContact NH1-OE2 2.91Å; R211-E214 IonicContact NH2-OE2 3.67Å; R211-E214 PolarHBondContact NH2-OE2 2.86Å; R211-R284 PolarHBondContact N-O 3.11Å; R211-K285 HydrophobicContact CG-CD 3.81Å; R211-K285 VanDerWaalsContact O-CA 3.26Å; R211-K285 WeakPolarHBondContact O-CA 3.33Å; R211-K285 WeakPolarHBondContact O-CD 3.48Å; R211-W286 VanDerWaalsContact C-CD1 3.42Å; R211-W286 PolarHBondContact O-N 2.99Å
212	T	97.2	Very high	90.6	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	25%	0.253	C	S	.	.			trans	-70.7	162.6	174.7	44.7	0	0	0	0	112.7	D200 I201 W219 L220 K285 F289	D200-T212 VanDerWaalsContact CA-OG1 3.29Å; D200-T212 WeakPolarHBondContact CA-OG1 3.27Å; D200-T212 WeakPolarHBondContact CB-OG1 3.06Å; I201-T212 HydrophobicContact CB-CG2 3.9Å; I201-T212 HydrophobicContact CD1-CG2 4.48Å; I201-T212 PolarHBondContact N-OG1 3.34Å; I201-T212 PolarHBondContact O-N 3.15Å; T212-W219 HydrophobicContact CG2-CE3 3.82Å; T212-W219 HydrophobicContact CG2-CZ3 4.22Å; T212-L220 HydrophobicContact CG2-CD1 4.14Å; T212-K285 WeakPolarHBondContact O-CD 3.2Å; T212-K285 PolarHBondContact O-NZ 2.91Å; T212-F289 HydrophobicContact CG2-CD2 3.94Å; T212-F289 HydrophobicContact CG2-CE2 4.01Å; T212-F289 HydrophobicContact CG2-CG 4.24Å; T212-F289 HydrophobicContact CG2-CZ 4.37Å
213	E	93.3	Very high	90.6	Very high	18 Å²	18	48.1 Å²	48.1	8%	0.084	25%	0.25	C	S	.	.			trans	-79.9	133.6	178.6	-173.5	65.2	129.7	0	0	112.9	T217 W219 K285 R404	E213-T217 WeakPolarHBondContact CG-OG1 3.38Å; E213-W219 HydrophobicContact CB-CD2 3.59Å; E213-W219 HydrophobicContact CB-CE3 4.07Å; E213-W219 HydrophobicContact CB-CG 3.93Å; E213-W219 HydrophobicContact CB-CH2 4.35Å; E213-W219 HydrophobicContact CB-CZ2 3.93Å; E213-W219 HydrophobicContact CB-CZ3 4.4Å; E213-W219 PolarHBondContact O-N 3.42Å; E213-W219 VanDerWaalsContact O-N 3.14Å; E213-K285 IonicContact OE2-NZ 3.14Å; E213-K285 PolarHBondContact OE2-NZ 2.96Å; E213-R404 HydrophobicContact CG-CG 4.45Å; E213-R404 IonicContact OE1-CZ 2.69Å; E213-R404 IonicContact OE1-NE 2.77Å; E213-R404 PolarHBondContact OE1-NE 2.97Å; E213-R404 IonicContact OE1-NH2 3.15Å; E213-R404 PolarHBondContact OE1-NH2 3.38Å
214	E	85.8	Confident	90.6	Very high	57 Å²	57	51.4 Å²	51.4	27%	0.266	27%	0.268	S	S	.	.			trans	-108.3	-69.2	-169	-178.4	168.2	-163.7	0	0	111.1	S198 R211 R218	S198-E214 WeakPolarHBondContact CB-OE1 3.47Å; S198-E214 WeakPolarHBondContact OG-CG 3.29Å; S198-E214 PolarHBondContact OG-OE1 2.92Å; R211-E214 IonicContact CZ-OE2 2.81Å; R211-E214 VanDerWaalsContact CZ-OE2 3.28Å; R211-E214 IonicContact NH1-OE2 2.71Å; R211-E214 PolarHBondContact NH1-OE2 2.91Å; R211-E214 IonicContact NH2-OE2 3.67Å; R211-E214 PolarHBondContact NH2-OE2 2.86Å; E214-R218 WeakPolarHBondContact O-CA 3.08Å; E214-R218 WeakPolarHBondContact O-CG 3.45Å; E214-R218 PolarHBondContact O-N 2.81Å
215	A	79.5	Confident	90.8	Very high	69 Å²	69	50.8 Å²	50.8	57%	0.57	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	138.7	176.7	0	0	0	0	0	111.1
216	P	80	Confident	91.2	Very high	104 Å²	104	50.5 Å²	50.5	68%	0.675	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.9	-13.8	-0.3	34.7	-35.1	0	0	0	114.4	R218	P216-R218 PolarHBondContact O-N 3Å
217	T	80.6	Confident	91.6	Very high	51 Å²	51	48.5 Å²	48.5	31%	0.313	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.7	-163.5	51.4	0	0	0	0	116	E213	E213-T217 WeakPolarHBondContact CG-OG1 3.38Å
218	R	86.8	Confident	92.3	Very high	150 Å²	150	42.6 Å²	42.6	57%	0.566	23%	0.232	S	C	*	.			trans	43.2	70.1	174.8	-64.8	-179.2	-179.2	-176.9	0.8	113.6	E214 P216 L220 Q254	E214-R218 WeakPolarHBondContact O-CA 3.08Å; E214-R218 WeakPolarHBondContact O-CG 3.45Å; E214-R218 PolarHBondContact O-N 2.81Å; P216-R218 PolarHBondContact O-N 3Å; R218-L220 PolarHBondContact O-N 2.99Å; R218-L220 VanDerWaalsContact O-N 3.13Å; R218-Q254 PolarHBondContact O-NE2 2.88Å
219	W	94.8	Very high	92.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	24%	0.236	C	C	.	.	S	Bend	trans	-60.1	-22	-179.9	-75	1.4	0	0	0	114.3	T212 E213 L282 W286 F289 K291 R404 P407	T212-W219 HydrophobicContact CG2-CE3 3.82Å; T212-W219 HydrophobicContact CG2-CZ3 4.22Å; E213-W219 HydrophobicContact CB-CD2 3.59Å; E213-W219 HydrophobicContact CB-CE3 4.07Å; E213-W219 HydrophobicContact CB-CG 3.93Å; E213-W219 HydrophobicContact CB-CH2 4.35Å; E213-W219 HydrophobicContact CB-CZ2 3.93Å; E213-W219 HydrophobicContact CB-CZ3 4.4Å; E213-W219 PolarHBondContact O-N 3.42Å; E213-W219 VanDerWaalsContact O-N 3.14Å; W219-L282 HydrophobicContact CH2-CD2 4.12Å; W219-L282 HydrophobicContact CZ2-CD2 4.03Å; W219-W286 HydrophobicContact CH2-CB 4.47Å; W219-W286 WeakPolarHBondContact CH2-O 3.32Å; W219-W286 HydrophobicContact CZ3-CB 4.17Å; W219-F289 HydrophobicContact CB-CD1 4.47Å; W219-F289 HydrophobicContact CB-CE1 3.96Å; W219-F289 AromaticContact CD2-CD1 3.74Å; W219-F289 HydrophobicContact CD2-CD1 3.74Å; W219-F289 HydrophobicContact CD2-CE1 4.12Å; W219-F289 HydrophobicContact CE3-CB 4.02Å; W219-F289 AromaticContact CE3-CD1 3.22Å; W219-F289 HydrophobicContact CE3-CD1 3.22Å; W219-F289 AromaticContact CE3-CE1 3.81Å; W219-F289 HydrophobicContact CE3-CE1 3.81Å; W219-F289 AromaticContact CE3-CG 3.71Å; W219-F289 HydrophobicContact CE3-CG 3.71Å; W219-F289 HydrophobicContact CG-CD1 4.32Å; W219-F289 HydrophobicContact CG-CE1 4.25Å; W219-F289 HydrophobicContact CH2-CB 4.02Å; W219-F289 HydrophobicContact CH2-CD1 4.38Å; W219-F289 HydrophobicContact CZ3-CB 3.47Å; W219-F289 VanDerWaalsContact CZ3-CB 3.47Å; W219-F289 AromaticContact CZ3-CD1 3.62Å; W219-F289 HydrophobicContact CZ3-CD1 3.62Å; W219-F289 AromaticContact CZ3-CG 3.71Å; W219-F289 HydrophobicContact CZ3-CG 3.71Å; W219-K291 WeakPolarHBondContact O-CE 3.47Å; W219-K291 PolarHBondContact O-NZ 2.83Å; W219-R404 PolarHBondContact NE1-O 2.92Å; W219-P407 HydrophobicContact CD2-CB 4.25Å; W219-P407 HydrophobicContact CG-CB 4.01Å; W219-P407 HydrophobicContact CG-CG 4.13Å
220	L	95.8	Very high	92.9	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.047	23%	0.225	C	C	.	.	S	Bend	trans	-130.4	135.9	177.2	-64.9	164.8	0	0	0	108.3	P199 I201 T212 R218 A223 F225 F249 F289	P199-L220 HydrophobicContact CG-CB 4.2Å; P199-L220 WeakPolarHBondContact O-CD1 3.49Å; I201-L220 HydrophobicContact CD1-CD1 4.32Å; I201-L220 HydrophobicContact CG1-CD1 4.37Å; T212-L220 HydrophobicContact CG2-CD1 4.14Å; R218-L220 PolarHBondContact O-N 2.99Å; R218-L220 VanDerWaalsContact O-N 3.13Å; L220-A223 HydrophobicContact CB-CB 4.28Å; L220-A223 HydrophobicContact CD2-CB 4.29Å; L220-F225 HydrophobicContact CD1-CZ 4.02Å; L220-F249 HydrophobicContact CD2-CD2 4.34Å; L220-F249 HydrophobicContact CD2-CE1 4.12Å; L220-F249 HydrophobicContact CD2-CE2 3.48Å; L220-F249 VanDerWaalsContact CD2-CE2 3.48Å; L220-F249 HydrophobicContact CD2-CZ 3.36Å; L220-F289 HydrophobicContact CD2-CZ 4.26Å
221	L	93.1	Very high	92.9	Very high	36 Å²	36	41.7 Å²	41.7	19%	0.188	23%	0.225	C	C	.	.	S	Bend	trans	-129.7	107.4	-178.1	-174.8	68.6	0	0	0	111.1	A223 E251 R252 Q254	L221-A223 PolarHBondContact O-N 2.83Å; L221-A223 VanDerWaalsContact O-N 3.15Å; L221-E251 PolarHBondContact N-OE2 2.84Å; L221-E251 WeakPolarHBondContact O-CB 3.35Å; L221-R252 HydrophobicContact CD2-CB 4.06Å; L221-R252 HydrophobicContact CD2-CG 4.1Å; L221-R252 HydrophobicContact CG-CB 4.09Å; L221-R252 PolarHBondContact O-N 2.62Å; L221-Q254 HydrophobicContact CB-CG 4.48Å; L221-Q254 HydrophobicContact CD2-CG 3.65Å
222	E	93.7	Very high	92.8	Very high	105 Å²	105	43.6 Å²	43.6	49%	0.491	24%	0.235	S	C	.	.	S	Bend	trans	54.3	32.8	-179.7	-57.4	170.1	-136.2	0	0	112.6	R252	E222-R252 HydrophobicContact CB-CB 4.15Å; E222-R252 WeakPolarHBondContact OE1-CD 3.38Å; E222-R252 IonicContact OE1-CZ 3.69Å; E222-R252 IonicContact OE1-NE 3.25Å; E222-R252 IonicContact OE1-NH1 2.72Å; E222-R252 PolarHBondContact OE1-NH1 2.86Å; E222-R252 IonicContact OE2-NH1 2.8Å
223	A	96.6	Very high	92.6	Very high	8 Å²	8	44.1 Å²	44.1	7%	0.066	24%	0.237	C	C	.	.			trans	-68.3	134.9	-177.8	0	0	0	0	0	112.7	P199 L220 L221 F225 F249 T250 E251	P199-A223 HydrophobicContact CB-CB 4.11Å; P199-A223 HydrophobicContact CG-CB 3.99Å; L220-A223 HydrophobicContact CB-CB 4.28Å; L220-A223 HydrophobicContact CD2-CB 4.29Å; L221-A223 PolarHBondContact O-N 2.83Å; L221-A223 VanDerWaalsContact O-N 3.15Å; A223-F225 HydrophobicContact CB-CE2 4.36Å; A223-F225 HydrophobicContact CB-CZ 4.25Å; A223-F249 HydrophobicContact CB-CD2 3.74Å; A223-F249 HydrophobicContact CB-CE2 4.18Å; A223-F249 HydrophobicContact CB-CG 4.49Å; A223-T250 CarbonylContact C-O 3.51Å; A223-T250 WeakPolarHBondContact CA-O 3.44Å; A223-E251 HydrophobicContact CB-CB 4.02Å
224	D	97.1	Very high	92.6	Very high	74 Å²	74	45.7 Å²	45.7	40%	0.396	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.7	178.6	-166.4	25.7	0	0	0	108.5	G174 F249 T250	G174-D224 VanDerWaalsContact CA-OD1 3.3Å; G174-D224 WeakPolarHBondContact CA-OD1 3.26Å; G174-D224 PolarHBondContact N-OD1 3.36Å; D224-F249 VanDerWaalsContact O-CA 3.29Å; D224-F249 WeakPolarHBondContact O-CA 3.44Å; D224-F249 VanDerWaalsContact O-CB 3.25Å; D224-F249 WeakPolarHBondContact O-CB 3.43Å; D224-T250 PolarHBondContact N-O 3Å; D224-T250 PolarHBondContact O-N 2.89Å
225	F	98.3	Very high	92.7	Very high	7 Å²	7	47.6 Å²	47.6	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.2	-166	-66.3	-82.9	0	0	0	113	G174 F175 T176 A190 S191 P199 I201 L220 A223 F249	G174-F225 CarbonylContact C-O 3.55Å; G174-F225 WeakPolarHBondContact CA-O 3.09Å; F175-F225 PolarHBondContact N-O 2.96Å; T176-F225 HydrophobicContact CG2-CB 4.36Å; A190-F225 HydrophobicContact CB-CD1 3.56Å; A190-F225 HydrophobicContact CB-CD2 4.21Å; A190-F225 HydrophobicContact CB-CE1 3.63Å; A190-F225 HydrophobicContact CB-CE2 4.23Å; A190-F225 HydrophobicContact CB-CG 3.87Å; A190-F225 HydrophobicContact CB-CZ 3.94Å; S191-F225 VanDerWaalsContact CA-CD2 3.5Å; P199-F225 HydrophobicContact CB-CE2 3.87Å; P199-F225 HydrophobicContact CB-CZ 4.43Å; I201-F225 HydrophobicContact CD1-CE1 4Å; I201-F225 HydrophobicContact CD1-CZ 4.49Å; I201-F225 HydrophobicContact CG1-CE1 3.71Å; I201-F225 HydrophobicContact CG1-CZ 3.96Å; L220-F225 HydrophobicContact CD1-CZ 4.02Å; A223-F225 HydrophobicContact CB-CE2 4.36Å; A223-F225 HydrophobicContact CB-CZ 4.25Å; F225-F249 HydrophobicContact CD1-CB 3.68Å; F225-F249 HydrophobicContact CD1-CD1 4.09Å; F225-F249 HydrophobicContact CD1-CG 4.09Å; F225-F249 HydrophobicContact CE1-CB 4.09Å; F225-F249 AromaticContact CE1-CD1 3.89Å; F225-F249 HydrophobicContact CE1-CD1 3.89Å; F225-F249 HydrophobicContact CE1-CE1 4.49Å; F225-F249 HydrophobicContact CE1-CG 4.01Å; F225-F249 HydrophobicContact CG-CB 4.26Å
226	V	97.8	Very high	92.9	Very high	28 Å²	28	51.6 Å²	51.6	17%	0.17	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-46.3	-172.8	173.9	0	0	0	0	111.7	F248 L308 V311	V226-F248 PolarHBondContact N-O 2.98Å; V226-L308 HydrophobicContact CB-CD2 4.12Å; V226-L308 HydrophobicContact CB-CG 4.41Å; V226-L308 HydrophobicContact CG1-CD2 4.25Å; V226-L308 HydrophobicContact CG1-CG 4.21Å; V226-L308 HydrophobicContact CG2-CB 4.29Å; V226-L308 HydrophobicContact CG2-CD2 4.08Å; V226-L308 HydrophobicContact CG2-CG 4.08Å; V226-V311 HydrophobicContact CG1-CG2 4.31Å
227	G	97.4	Very high	93.4	Very high	13 Å²	13	48.3 Å²	48.3	13%	0.134	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	168.7	-174	0	0	0	0	0	113.3	T176 F248	T176-G227 VanDerWaalsContact OG1-C 3.3Å; T176-G227 WeakPolarHBondContact OG1-CA 3.47Å; G227-F248 PolarHBondContact N-O 2.93Å; G227-F248 PolarHBondContact O-N 2.84Å
228	S	97.9	Very high	93.8	Very high	22 Å²	22	51.7 Å²	51.7	15%	0.154	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	155.4	174.8	55.7	0	0	0	0	111.3	T176 Y246	T176-S228 PolarHBondContact OG1-N 3.16Å; T176-S228 VanDerWaalsContact OG1-N 3.08Å; T176-S228 PolarHBondContact OG1-OG 3.09Å; S228-Y246 CarbonylContact C-O 3.5Å; S228-Y246 WeakPolarHBondContact CA-O 3.23Å; S228-Y246 VanDerWaalsContact CB-O 3.25Å; S228-Y246 WeakPolarHBondContact CB-O 3.42Å
229	V	97.4	Very high	94.1	Very high	22 Å²	22	48.4 Å²	48.4	13%	0.133	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.4	-180	69.8	0	0	0	0	110.9	L231 I245 Y246 F248 V313	V229-L231 HydrophobicContact CG1-CD2 4.46Å; V229-L231 HydrophobicContact CG1-CG 4.28Å; V229-L231 HydrophobicContact CG2-CD2 4.35Å; V229-I245 WeakPolarHBondContact O-CA 3.44Å; V229-Y246 PolarHBondContact N-O 2.67Å; V229-Y246 PolarHBondContact O-N 2.98Å; V229-F248 HydrophobicContact CG1-CE2 4.08Å; V229-V313 HydrophobicContact CB-CG2 4.46Å; V229-V313 HydrophobicContact CG1-CB 4.47Å; V229-V313 HydrophobicContact CG1-CG1 4.4Å; V229-V313 HydrophobicContact CG1-CG2 4.06Å; V229-V313 HydrophobicContact CG2-CB 4.32Å; V229-V313 HydrophobicContact CG2-CG1 4.3Å
230	L	96.4	Very high	93.9	Very high	29 Å²	29	49.1 Å²	49.1	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.3	164.6	174.8	67.8	0	0	0	109.1	L178 I180 K232 D243 I245 Q315	L178-L230 HydrophobicContact CD1-CB 4.47Å; I180-L230 HydrophobicContact CD1-CB 4.22Å; I180-L230 HydrophobicContact CD1-CD1 4.13Å; I180-L230 HydrophobicContact CD1-CD2 4.1Å; I180-L230 HydrophobicContact CD1-CG 4.37Å; I180-L230 HydrophobicContact CG1-CD2 4.4Å; I180-L230 HydrophobicContact CG2-CD2 3.87Å; L230-K232 HydrophobicContact CD2-CG 4.31Å; L230-K232 HydrophobicContact CG-CG 4.41Å; L230-D243 HydrophobicContact CD1-CB 4.01Å; L230-I245 HydrophobicContact CD1-CG1 3.94Å; L230-Q315 PolarHBondContact O-NE2 3.29Å
231	L	95.7	Very high	93.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125	165.9	-65.1	-174.8	0	0	0	109.8	V229 E233 K244 Y246 V313 Q315 V319 F324 F345	V229-L231 HydrophobicContact CG1-CD2 4.46Å; V229-L231 HydrophobicContact CG1-CG 4.28Å; V229-L231 HydrophobicContact CG2-CD2 4.35Å; L231-E233 HydrophobicContact CB-CG 4.34Å; L231-E233 PolarHBondContact O-N 2.94Å; L231-K244 PolarHBondContact N-O 2.93Å; L231-K244 PolarHBondContact O-N 3.49Å; L231-Y246 HydrophobicContact CB-CD2 4.28Å; L231-Y246 HydrophobicContact CB-CE2 4.11Å; L231-Y246 HydrophobicContact CD1-CD2 3.86Å; L231-Y246 HydrophobicContact CD1-CE2 3.78Å; L231-Y246 HydrophobicContact CG-CD2 4.02Å; L231-Y246 HydrophobicContact CG-CE2 4.18Å; L231-V313 HydrophobicContact CD2-CG1 4.3Å; L231-Q315 HydrophobicContact CD2-CG 4.29Å; L231-V319 HydrophobicContact CB-CG1 3.98Å; L231-V319 HydrophobicContact CD1-CG1 4.22Å; L231-V319 HydrophobicContact CD2-CG1 4.46Å; L231-V319 HydrophobicContact CG-CG1 4.46Å; L231-F324 HydrophobicContact CD1-CE1 3.92Å; L231-F324 HydrophobicContact CD1-CZ 3.79Å; L231-F345 HydrophobicContact CD1-CD2 3.57Å; L231-F345 HydrophobicContact CD1-CE2 3.46Å; L231-F345 VanDerWaalsContact CD1-CE2 3.46Å; L231-F345 HydrophobicContact CD1-CG 4.17Å; L231-F345 HydrophobicContact CD1-CZ 3.99Å
232	K	93.8	Very high	93.9	Very high	109 Å²	109	49.4 Å²	49.4	47%	0.474	28%	0.281	S	S	.	.			trans	-82.7	58.8	-174.5	-63.4	-169.6	178.9	178.2	0	112.5	L230 S234 I235 D243	L230-K232 HydrophobicContact CD2-CG 4.31Å; L230-K232 HydrophobicContact CG-CG 4.41Å; K232-S234 PolarHBondContact O-N 3.44Å; K232-S234 VanDerWaalsContact O-N 3.16Å; K232-I235 HydrophobicContact CB-CD1 3.67Å; K232-I235 HydrophobicContact CB-CG1 4.02Å; K232-I235 HydrophobicContact CD-CD1 3.78Å; K232-I235 HydrophobicContact CG-CD1 4.39Å; K232-I235 WeakPolarHBondContact O-CB 3.39Å; K232-I235 PolarHBondContact O-N 2.89Å; K232-I235 VanDerWaalsContact O-N 3.09Å; K232-D243 WeakPolarHBondContact CA-OD1 3.37Å
233	E	93.4	Very high	93.9	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.061	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.9	-177.1	-70.7	-179.7	-122.8	0	0	114.2	L231 I235 D243 K244 Y246 V319 F345	L231-E233 HydrophobicContact CB-CG 4.34Å; L231-E233 PolarHBondContact O-N 2.94Å; E233-I235 VanDerWaalsContact C-N 3.35Å; E233-D243 PolarHBondContact N-OD1 2.9Å; E233-K244 VanDerWaalsContact CD-NZ 3.28Å; E233-K244 WeakPolarHBondContact OE1-CD 3.33Å; E233-K244 IonicContact OE1-NZ 3.37Å; E233-K244 WeakPolarHBondContact OE2-CE 3.08Å; E233-K244 IonicContact OE2-NZ 3.64Å; E233-K244 PolarHBondContact OE2-NZ 2.82Å; E233-Y246 VanDerWaalsContact OE1-CE2 3.24Å; E233-Y246 WeakPolarHBondContact OE1-CE2 3.05Å; E233-Y246 PolarHBondContact OE1-OH 3.32Å; E233-V319 HydrophobicContact CG-CG1 3.99Å; E233-F345 HydrophobicContact CG-CE1 4.41Å; E233-F345 HydrophobicContact CG-CZ 4.14Å; E233-F345 WeakPolarHBondContact OE1-CZ 3.08Å
234	S	92	Very high	94	Very high	52 Å²	52	45 Å²	45	36%	0.364	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-26.3	170	65.4	0	0	0	0	113.4	K232 N236 S237 D241 D243	K232-S234 PolarHBondContact O-N 3.44Å; K232-S234 VanDerWaalsContact O-N 3.16Å; S234-N236 PolarHBondContact O-N 2.9Å; S234-S237 VanDerWaalsContact O-CB 3.25Å; S234-S237 WeakPolarHBondContact O-CB 3.49Å; S234-S237 PolarHBondContact O-N 3.03Å; S234-S237 VanDerWaalsContact O-N 3.09Å; S234-D241 VanDerWaalsContact CA-O 3.32Å; S234-D241 WeakPolarHBondContact CA-O 3.32Å; S234-D241 VanDerWaalsContact CB-O 3.26Å; S234-D241 WeakPolarHBondContact CB-O 3.35Å; S234-D243 VanDerWaalsContact CB-OD1 3.24Å; S234-D243 WeakPolarHBondContact CB-OD1 3.19Å; S234-D243 PolarHBondContact N-OD1 3.08Å; S234-D243 VanDerWaalsContact N-OD1 3.07Å; S234-D243 PolarHBondContact OG-OD1 3.15Å
235	I	88.7	Confident	94	Very high	97 Å²	97	41.5 Å²	41.5	50%	0.497	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	125.8	-178.7	-63.3	178.8	0	0	0	109.5	K232 E233 S237	K232-I235 HydrophobicContact CB-CD1 3.67Å; K232-I235 HydrophobicContact CB-CG1 4.02Å; K232-I235 HydrophobicContact CD-CD1 3.78Å; K232-I235 HydrophobicContact CG-CD1 4.39Å; K232-I235 WeakPolarHBondContact O-CB 3.39Å; K232-I235 PolarHBondContact O-N 2.89Å; K232-I235 VanDerWaalsContact O-N 3.09Å; E233-I235 VanDerWaalsContact C-N 3.35Å; I235-S237 PolarHBondContact O-N 2.86Å
236	N	84.6	Confident	94	Very high	153 Å²	153	41.1 Å²	41.1	82%	0.818	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	19.2	-174.4	-54.6	-34.7	0	0	0	114.7	S234 S238	S234-N236 PolarHBondContact O-N 2.9Å; N236-S238 PolarHBondContact O-N 2.04Å
237	S	88.9	Confident	94.1	Very high	34 Å²	34	39.8 Å²	39.8	24%	0.238	23%	0.231	C	C	.	.			trans	-71.4	111.1	177.7	-170.4	0	0	0	0	111.7	S234 I235 I239 G240 D241	S234-S237 VanDerWaalsContact O-CB 3.25Å; S234-S237 WeakPolarHBondContact O-CB 3.49Å; S234-S237 PolarHBondContact O-N 3.03Å; S234-S237 VanDerWaalsContact O-N 3.09Å; I235-S237 PolarHBondContact O-N 2.86Å; S237-I239 PolarHBondContact O-N 3.08Å; S237-I239 VanDerWaalsContact O-N 3.14Å; S237-G240 PolarHBondContact O-N 3.41Å; S237-D241 VanDerWaalsContact OG-CB 3.25Å; S237-D241 WeakPolarHBondContact OG-CB 3.32Å; S237-D241 PolarHBondContact OG-N 2.71Å; S237-D241 VanDerWaalsContact OG-N 3.07Å
238	S	90.9	Very high	94.2	Very high	122 Å²	122	39.3 Å²	39.3	85%	0.853	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	0.9	178.8	56	0	0	0	0	114.8	N236	N236-S238 PolarHBondContact O-N 2.04Å
239	I	92.3	Very high	94.2	Very high	82 Å²	82	38.2 Å²	38.2	42%	0.421	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	6.6	179.9	66.4	176.1	0	0	0	112.9	S237 D241 T381 D382	S237-I239 PolarHBondContact O-N 3.08Å; S237-I239 VanDerWaalsContact O-N 3.14Å; I239-D241 VanDerWaalsContact C-N 3.31Å; I239-D241 HydrophobicContact CD1-CB 4.24Å; I239-D241 HydrophobicContact CG1-CB 3.98Å; I239-D241 PolarHBondContact O-N 2.96Å; I239-T381 HydrophobicContact CD1-CG2 4.17Å; I239-T381 HydrophobicContact CG1-CG2 4.4Å; I239-T381 VanDerWaalsContact O-CB 3.31Å; I239-T381 WeakPolarHBondContact O-CB 3.31Å; I239-D382 PolarHBondContact O-N 3.15Å
240	G	91.2	Very high	94.2	Very high	17 Å²	17	37.4 Å²	37.4	18%	0.175	21%	0.212	C	C	.	.			trans	62.2	36.1	-177.1	0	0	0	0	0	113.6	S237 D382 R385	S237-G240 PolarHBondContact O-N 3.41Å; G240-D382 VanDerWaalsContact CA-OD2 3.3Å; G240-D382 WeakPolarHBondContact CA-OD2 3.14Å; G240-D382 PolarHBondContact N-OD2 2.86Å; G240-R385 PolarHBondContact O-NH1 2.75Å; G240-R385 PolarHBondContact O-NH2 2.99Å
241	D	93.3	Very high	94.2	Very high	31 Å²	31	36 Å²	36	17%	0.166	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-67.3	160.7	174.2	-163.9	9.7	0	0	0	111.4	S234 S237 I239 K244 C379	S234-D241 VanDerWaalsContact CA-O 3.32Å; S234-D241 WeakPolarHBondContact CA-O 3.32Å; S234-D241 VanDerWaalsContact CB-O 3.26Å; S234-D241 WeakPolarHBondContact CB-O 3.35Å; S237-D241 VanDerWaalsContact OG-CB 3.25Å; S237-D241 WeakPolarHBondContact OG-CB 3.32Å; S237-D241 PolarHBondContact OG-N 2.71Å; S237-D241 VanDerWaalsContact OG-N 3.07Å; I239-D241 VanDerWaalsContact C-N 3.31Å; I239-D241 HydrophobicContact CD1-CB 4.24Å; I239-D241 HydrophobicContact CG1-CB 3.98Å; I239-D241 PolarHBondContact O-N 2.96Å; D241-K244 IonicContact OD1-NZ 3.67Å; D241-K244 PolarHBondContact OD1-NZ 2.82Å; D241-K244 WeakPolarHBondContact OD2-CE 3.48Å; D241-K244 IonicContact OD2-NZ 2.77Å; D241-K244 PolarHBondContact OD2-NZ 3.17Å; D241-C379 WeakPolarHBondContact OD1-CB 3.28Å
242	D	94	Very high	94.1	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.102	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-96.9	158.3	-175.4	-170.7	29.7	0	0	0	112.6	K244 C272 K273 N274 C379	D242-K244 WeakPolarHBondContact O-CG 3.37Å; D242-K244 PolarHBondContact O-NZ 3.4Å; D242-C272 HydrophobicContact CB-CB 4.49Å; D242-K273 PolarHBondContact OD2-N 2.95Å; D242-K273 VanDerWaalsContact OD2-N 3.09Å; D242-N274 PolarHBondContact OD1-ND2 3.14Å; D242-N274 WeakPolarHBondContact OD2-CB 3.25Å; D242-N274 PolarHBondContact OD2-N 2.91Å; D242-C379 HydrophobicContact CB-CB 3.58Å
243	D	95.4	Very high	93.9	Very high	18 Å²	18	37 Å²	37	10%	0.096	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.9	147.2	166.4	-77.9	4.3	0	0	0	110.6	L230 K232 E233 S234 K273	L230-D243 HydrophobicContact CD1-CB 4.01Å; K232-D243 WeakPolarHBondContact CA-OD1 3.37Å; E233-D243 PolarHBondContact N-OD1 2.9Å; S234-D243 VanDerWaalsContact CB-OD1 3.24Å; S234-D243 WeakPolarHBondContact CB-OD1 3.19Å; S234-D243 PolarHBondContact N-OD1 3.08Å; S234-D243 VanDerWaalsContact N-OD1 3.07Å; S234-D243 PolarHBondContact OG-OD1 3.15Å; D243-K273 HydrophobicContact CB-CB 4.09Å; D243-K273 HydrophobicContact CB-CD 4.23Å; D243-K273 WeakPolarHBondContact O-CB 3.43Å; D243-K273 PolarHBondContact O-N 3.44Å
244	K	97.1	Very high	93.2	Very high	3 Å²	3	39 Å²	39	1%	0.013	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.9	-174.8	-53	-176.9	-164.6	55.9	0	110.9	L231 E233 D241 D242 Y246 V271 C379	L231-K244 PolarHBondContact N-O 2.93Å; L231-K244 PolarHBondContact O-N 3.49Å; E233-K244 VanDerWaalsContact CD-NZ 3.28Å; E233-K244 WeakPolarHBondContact OE1-CD 3.33Å; E233-K244 IonicContact OE1-NZ 3.37Å; E233-K244 WeakPolarHBondContact OE2-CE 3.08Å; E233-K244 IonicContact OE2-NZ 3.64Å; E233-K244 PolarHBondContact OE2-NZ 2.82Å; D241-K244 IonicContact OD1-NZ 3.67Å; D241-K244 PolarHBondContact OD1-NZ 2.82Å; D241-K244 WeakPolarHBondContact OD2-CE 3.48Å; D241-K244 IonicContact OD2-NZ 2.77Å; D241-K244 PolarHBondContact OD2-NZ 3.17Å; D242-K244 WeakPolarHBondContact O-CG 3.37Å; D242-K244 PolarHBondContact O-NZ 3.4Å; K244-Y246 HydrophobicContact CB-CD2 4.45Å; K244-Y246 HydrophobicContact CB-CE2 3.71Å; K244-V271 VanDerWaalsContact CA-O 3.31Å; K244-V271 WeakPolarHBondContact CA-O 3.14Å; K244-C379 WeakPolarHBondContact CE-SG 3.5Å
245	I	98.1	Very high	92.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.9	177.7	-55.9	171.7	0	0	0	107.9	L178 I180 F188 V229 L230 F247 R270 V271	L178-I245 HydrophobicContact CD1-CG2 3.68Å; I180-I245 HydrophobicContact CD1-CD1 3.59Å; I180-I245 HydrophobicContact CD1-CG1 4.13Å; F188-I245 HydrophobicContact CB-CD1 4.19Å; F188-I245 HydrophobicContact CD1-CD1 3.45Å; F188-I245 VanDerWaalsContact CD1-CD1 3.45Å; F188-I245 HydrophobicContact CD2-CD1 3.54Å; F188-I245 HydrophobicContact CE1-CD1 3.52Å; F188-I245 HydrophobicContact CE2-CD1 3.63Å; F188-I245 HydrophobicContact CG-CD1 3.46Å; F188-I245 VanDerWaalsContact CG-CD1 3.46Å; F188-I245 HydrophobicContact CZ-CD1 3.63Å; V229-I245 WeakPolarHBondContact O-CA 3.44Å; L230-I245 HydrophobicContact CD1-CG1 3.94Å; I245-F247 HydrophobicContact CB-CE2 3.94Å; I245-F247 HydrophobicContact CB-CZ 4.38Å; I245-F247 HydrophobicContact CG2-CD2 4.16Å; I245-F247 HydrophobicContact CG2-CE1 4.32Å; I245-F247 HydrophobicContact CG2-CE2 3.42Å; I245-F247 VanDerWaalsContact CG2-CE2 3.42Å; I245-F247 HydrophobicContact CG2-CZ 3.52Å; I245-R270 VanDerWaalsContact O-CA 3.29Å; I245-R270 WeakPolarHBondContact O-CA 3.25Å; I245-V271 HydrophobicContact CB-CG2 4.2Å; I245-V271 PolarHBondContact N-O 3.2Å; I245-V271 PolarHBondContact O-N 2.91Å
246	Y	98.6	Very high	91.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138	178.6	-68.1	-96.2	0	0	0	110	S228 V229 L231 E233 K244 V268 A269 R270 F345 V348 F352	S228-Y246 CarbonylContact C-O 3.5Å; S228-Y246 WeakPolarHBondContact CA-O 3.23Å; S228-Y246 VanDerWaalsContact CB-O 3.25Å; S228-Y246 WeakPolarHBondContact CB-O 3.42Å; V229-Y246 PolarHBondContact N-O 2.67Å; V229-Y246 PolarHBondContact O-N 2.98Å; L231-Y246 HydrophobicContact CB-CD2 4.28Å; L231-Y246 HydrophobicContact CB-CE2 4.11Å; L231-Y246 HydrophobicContact CD1-CD2 3.86Å; L231-Y246 HydrophobicContact CD1-CE2 3.78Å; L231-Y246 HydrophobicContact CG-CD2 4.02Å; L231-Y246 HydrophobicContact CG-CE2 4.18Å; E233-Y246 VanDerWaalsContact OE1-CE2 3.24Å; E233-Y246 WeakPolarHBondContact OE1-CE2 3.05Å; E233-Y246 PolarHBondContact OE1-OH 3.32Å; K244-Y246 HydrophobicContact CB-CD2 4.45Å; K244-Y246 HydrophobicContact CB-CE2 3.71Å; Y246-V268 HydrophobicContact CD1-CG2 3.85Å; Y246-A269 CarbonylContact C-O 3.59Å; Y246-A269 VanDerWaalsContact CA-O 3.24Å; Y246-A269 WeakPolarHBondContact CA-O 3.38Å; Y246-R270 HydrophobicContact CD1-CB 3.75Å; Y246-R270 HydrophobicContact CE1-CB 3.61Å; Y246-R270 HydrophobicContact CE1-CG 4.36Å; Y246-R270 HydrophobicContact CG-CB 4.32Å; Y246-F345 HydrophobicContact CE1-CE2 4.2Å; Y246-F345 AromaticContact CE2-CE2 4Å; Y246-F345 HydrophobicContact CE2-CE2 4Å; Y246-F345 HydrophobicContact CE2-CZ 4.49Å; Y246-F345 AromaticContact CZ-CE2 3.64Å; Y246-F345 WeakPolarHBondContact OH-CE2 3.41Å; Y246-V348 HydrophobicContact CD1-CG1 4.37Å; Y246-V348 HydrophobicContact CE1-CG1 4.01Å; Y246-F352 HydrophobicContact CD1-CE2 4.35Å; Y246-F352 HydrophobicContact CE1-CD2 4.27Å; Y246-F352 AromaticContact CE1-CE2 3.86Å; Y246-F352 HydrophobicContact CE1-CE2 3.86Å
247	F	98.8	Very high	90.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.7	-178.9	-66.4	-90.9	0	0	0	110	T176 F188 A190 I201 I245 V268 A269 V271	T176-F247 HydrophobicContact CG2-CD1 4.15Å; F188-F247 HydrophobicContact CB-CZ 4.42Å; A190-F247 HydrophobicContact CB-CD1 3.78Å; A190-F247 HydrophobicContact CB-CE1 3.98Å; I201-F247 HydrophobicContact CD1-CB 4.03Å; I201-F247 HydrophobicContact CD1-CD2 4.27Å; I201-F247 HydrophobicContact CD1-CG 4.04Å; I201-F247 HydrophobicContact CG1-CD1 4.25Å; I201-F247 HydrophobicContact CG1-CG 4.23Å; I201-F247 HydrophobicContact CG2-CD1 4.14Å; I201-F247 HydrophobicContact CG2-CD2 3.88Å; I201-F247 HydrophobicContact CG2-CE1 3.81Å; I201-F247 HydrophobicContact CG2-CE2 3.5Å; I201-F247 HydrophobicContact CG2-CG 4.18Å; I201-F247 HydrophobicContact CG2-CZ 3.47Å; I201-F247 VanDerWaalsContact CG2-CZ 3.47Å; I245-F247 HydrophobicContact CB-CE2 3.94Å; I245-F247 HydrophobicContact CB-CZ 4.38Å; I245-F247 HydrophobicContact CG2-CD2 4.16Å; I245-F247 HydrophobicContact CG2-CE1 4.32Å; I245-F247 HydrophobicContact CG2-CE2 3.42Å; I245-F247 VanDerWaalsContact CG2-CE2 3.42Å; I245-F247 HydrophobicContact CG2-CZ 3.52Å; F247-V268 CarbonylContact O-C 3.58Å; F247-V268 WeakPolarHBondContact O-CA 3.45Å; F247-A269 PolarHBondContact N-O 2.69Å; F247-A269 PolarHBondContact O-N 2.95Å; F247-V271 HydrophobicContact CE2-CG2 4.07Å
248	F	98.9	Very high	89.3	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.1	-176	-55.1	-81.3	0	0	0	110.7	V226 G227 V229 R267 V268 M294 L308 V311 V313 F324	V226-F248 PolarHBondContact N-O 2.98Å; G227-F248 PolarHBondContact N-O 2.93Å; G227-F248 PolarHBondContact O-N 2.84Å; V229-F248 HydrophobicContact CG1-CE2 4.08Å; F248-R267 WeakPolarHBondContact CA-O 3.43Å; F248-V268 HydrophobicContact CD1-CB 3.99Å; F248-V268 HydrophobicContact CD1-CG2 4Å; F248-V268 HydrophobicContact CE1-CB 3.92Å; F248-V268 HydrophobicContact CE1-CG2 3.57Å; F248-V268 HydrophobicContact CZ-CG2 4.29Å; F248-M294 HydrophobicContact CD1-SD 3.95Å; F248-M294 HydrophobicContact CE1-SD 4.31Å; F248-L308 HydrophobicContact CB-CD2 3.81Å; F248-V311 HydrophobicContact CB-CG2 3.86Å; F248-V311 HydrophobicContact CD1-CG1 4.38Å; F248-V311 HydrophobicContact CD1-CG2 4.23Å; F248-V311 HydrophobicContact CD2-CB 4.26Å; F248-V311 HydrophobicContact CD2-CG1 3.93Å; F248-V311 HydrophobicContact CD2-CG2 4.34Å; F248-V311 HydrophobicContact CE1-CG1 4.37Å; F248-V311 HydrophobicContact CE2-CG1 3.92Å; F248-V311 HydrophobicContact CG-CB 4.32Å; F248-V311 HydrophobicContact CG-CG1 4.16Å; F248-V311 HydrophobicContact CG-CG2 3.9Å; F248-V311 HydrophobicContact CZ-CG1 4.15Å; F248-V313 HydrophobicContact CE2-CG2 4.22Å; F248-V313 HydrophobicContact CZ-CG2 4.23Å; F248-F324 AromaticContact CE1-CD2 3.65Å; F248-F324 HydrophobicContact CE1-CD2 3.65Å; F248-F324 AromaticContact CE1-CE2 3.85Å; F248-F324 HydrophobicContact CE1-CE2 3.85Å; F248-F324 AromaticContact CZ-CD2 3.61Å; F248-F324 HydrophobicContact CZ-CD2 3.61Å; F248-F324 AromaticContact CZ-CE2 3.58Å; F248-F324 HydrophobicContact CZ-CE2 3.58Å; F248-F324 HydrophobicContact CZ-CG 4.36Å; F248-F324 HydrophobicContact CZ-CZ 4.31Å
249	F	98.8	Very high	87.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	160.4	-174.5	56.9	-84.1	0	0	0	112.4	L220 A223 D224 F225 E251 R267 A269 K291	L220-F249 HydrophobicContact CD2-CD2 4.34Å; L220-F249 HydrophobicContact CD2-CE1 4.12Å; L220-F249 HydrophobicContact CD2-CE2 3.48Å; L220-F249 VanDerWaalsContact CD2-CE2 3.48Å; L220-F249 HydrophobicContact CD2-CZ 3.36Å; A223-F249 HydrophobicContact CB-CD2 3.74Å; A223-F249 HydrophobicContact CB-CE2 4.18Å; A223-F249 HydrophobicContact CB-CG 4.49Å; D224-F249 VanDerWaalsContact O-CA 3.29Å; D224-F249 WeakPolarHBondContact O-CA 3.44Å; D224-F249 VanDerWaalsContact O-CB 3.25Å; D224-F249 WeakPolarHBondContact O-CB 3.43Å; F225-F249 HydrophobicContact CD1-CB 3.68Å; F225-F249 HydrophobicContact CD1-CD1 4.09Å; F225-F249 HydrophobicContact CD1-CG 4.09Å; F225-F249 HydrophobicContact CE1-CB 4.09Å; F225-F249 AromaticContact CE1-CD1 3.89Å; F225-F249 HydrophobicContact CE1-CD1 3.89Å; F225-F249 HydrophobicContact CE1-CE1 4.49Å; F225-F249 HydrophobicContact CE1-CG 4.01Å; F225-F249 HydrophobicContact CG-CB 4.26Å; F249-E251 HydrophobicContact CD2-CB 3.98Å; F249-E251 HydrophobicContact CD2-CG 4.45Å; F249-E251 HydrophobicContact CE2-CB 3.97Å; F249-E251 HydrophobicContact CE2-CG 4.08Å; F249-R267 HydrophobicContact CD1-CB 4.2Å; F249-R267 HydrophobicContact CD2-CB 3.93Å; F249-R267 HydrophobicContact CD2-CG 4.15Å; F249-R267 HydrophobicContact CE1-CB 3.86Å; F249-R267 HydrophobicContact CE2-CB 3.58Å; F249-R267 HydrophobicContact CE2-CG 3.6Å; F249-R267 HydrophobicContact CG-CB 4.23Å; F249-R267 HydrophobicContact CZ-CB 3.53Å; F249-R267 HydrophobicContact CZ-CG 3.91Å; F249-R267 PolarHBondContact N-O 3.25Å; F249-R267 PolarHBondContact O-N 3.38Å; F249-A269 HydrophobicContact CE1-CB 3.72Å; F249-A269 HydrophobicContact CZ-CB 4.28Å; F249-K291 HydrophobicContact CZ-CB 4.48Å; F249-K291 HydrophobicContact CZ-CD 4.28Å
250	T	98.1	Very high	86.5	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.9	164.4	-58.4	0	0	0	0	108.5	A223 D224 K264 V307 L308	A223-T250 CarbonylContact C-O 3.51Å; A223-T250 WeakPolarHBondContact CA-O 3.44Å; D224-T250 PolarHBondContact N-O 3Å; D224-T250 PolarHBondContact O-N 2.89Å; T250-K264 HydrophobicContact CG2-CB 3.84Å; T250-K264 HydrophobicContact CG2-CD 3.95Å; T250-K264 HydrophobicContact CG2-CG 4.38Å; T250-V307 HydrophobicContact CG2-CG1 4.36Å; T250-V307 HydrophobicContact CG2-CG2 4.47Å; T250-L308 PolarHBondContact OG1-N 3.37Å; T250-L308 PolarHBondContact OG1-O 3.36Å
251	E	96.1	Very high	85.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	168.7	173.9	72.1	170.1	178	0	0	112	L221 A223 F249 K264 V265 R267 K291	L221-E251 PolarHBondContact N-OE2 2.84Å; L221-E251 WeakPolarHBondContact O-CB 3.35Å; A223-E251 HydrophobicContact CB-CB 4.02Å; F249-E251 HydrophobicContact CD2-CB 3.98Å; F249-E251 HydrophobicContact CD2-CG 4.45Å; F249-E251 HydrophobicContact CE2-CB 3.97Å; F249-E251 HydrophobicContact CE2-CG 4.08Å; E251-K264 CarbonylContact O-C 3.45Å; E251-K264 VanDerWaalsContact O-CA 3.26Å; E251-K264 WeakPolarHBondContact O-CA 3.45Å; E251-V265 HydrophobicContact CG-CG2 4.14Å; E251-V265 PolarHBondContact N-O 3.19Å; E251-V265 PolarHBondContact O-N 3.35Å; E251-R267 HydrophobicContact CG-CG 3.84Å; E251-R267 IonicContact OE1-CZ 2.7Å; E251-R267 VanDerWaalsContact OE1-CZ 3.31Å; E251-R267 IonicContact OE1-NE 3.87Å; E251-R267 PolarHBondContact OE1-NE 3.31Å; E251-R267 IonicContact OE1-NH2 2.87Å; E251-R267 PolarHBondContact OE1-NH2 2.62Å; E251-K291 VanDerWaalsContact OE1-CE 3.31Å; E251-K291 WeakPolarHBondContact OE1-CE 3.38Å; E251-K291 IonicContact OE1-NZ 3.81Å; E251-K291 PolarHBondContact OE1-NZ 2.89Å; E251-K291 IonicContact OE2-NZ 3.98Å; E251-K291 PolarHBondContact OE2-NZ 3.17Å
252	R	93.3	Very high	84.5	Confident	111 Å²	111	39.9 Å²	39.9	42%	0.419	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.4	168.5	-176.8	175.1	-174.9	162.4	7.7	110.1	L221 E222 Q254	L221-R252 HydrophobicContact CD2-CB 4.06Å; L221-R252 HydrophobicContact CD2-CG 4.1Å; L221-R252 HydrophobicContact CG-CB 4.09Å; L221-R252 PolarHBondContact O-N 2.62Å; E222-R252 HydrophobicContact CB-CB 4.15Å; E222-R252 WeakPolarHBondContact OE1-CD 3.38Å; E222-R252 IonicContact OE1-CZ 3.69Å; E222-R252 IonicContact OE1-NE 3.25Å; E222-R252 IonicContact OE1-NH1 2.72Å; E222-R252 PolarHBondContact OE1-NH1 2.86Å; E222-R252 IonicContact OE2-NH1 2.8Å; R252-Q254 PolarHBondContact O-N 2.92Å
253	S	88.6	Confident	84.1	Confident	20 Å²	20	42 Å²	42	14%	0.14	23%	0.232	C	C	.	.			trans	-65.2	130.7	179.6	-166.9	0	0	0	0	111.6	E255 V257 T263	S253-E255 WeakPolarHBondContact OG-CG 3.28Å; S253-E255 PolarHBondContact OG-N 2.66Å; S253-E255 PolarHBondContact OG-O 3.03Å; S253-V257 VanDerWaalsContact OG-CG2 3.23Å; S253-V257 WeakPolarHBondContact OG-CG2 3.09Å; S253-T263 PolarHBondContact N-O 2.8Å
254	Q	80.6	Confident	83.9	Confident	53 Å²	53	44.1 Å²	44.1	25%	0.248	24%	0.24	C	C	.	.			trans	-97.3	-33.1	165	-65.6	170.4	-35.4	0	0	110.7	R218 L221 R252 W364	R218-Q254 PolarHBondContact O-NE2 2.88Å; L221-Q254 HydrophobicContact CB-CG 4.48Å; L221-Q254 HydrophobicContact CD2-CG 3.65Å; R252-Q254 PolarHBondContact O-N 2.92Å; Q254-W364 HydrophobicContact CB-CZ2 3.75Å; Q254-W364 PolarHBondContact O-NE1 3.37Å
255	E	80.8	Confident	83.8	Confident	24 Å²	24	44 Å²	44	11%	0.112	24%	0.239	C	C	.	.	S	Bend	trans	-68.9	157.7	177.5	61.6	-169.6	-119.9	0	0	112.6	S253 V257 R267 R293	S253-E255 WeakPolarHBondContact OG-CG 3.28Å; S253-E255 PolarHBondContact OG-N 2.66Å; S253-E255 PolarHBondContact OG-O 3.03Å; E255-V257 PolarHBondContact O-N 3.01Å; E255-V257 VanDerWaalsContact O-N 3.09Å; E255-R267 IonicContact OE1-NH1 2.83Å; E255-R267 IonicContact OE2-CZ 2.78Å; E255-R267 IonicContact OE2-NH1 2.69Å; E255-R267 PolarHBondContact OE2-NH1 2.89Å; E255-R267 IonicContact OE2-NH2 3.78Å; E255-R267 PolarHBondContact OE2-NH2 3.08Å; E255-R293 WeakPolarHBondContact OE1-CD 3.02Å; E255-R293 IonicContact OE1-CZ 3.35Å; E255-R293 IonicContact OE1-NE 3.2Å; E255-R293 IonicContact OE1-NH1 2.71Å; E255-R293 PolarHBondContact OE1-NH1 3.5Å
256	Q	66.7	Low	83.8	Confident	159 Å²	159	44 Å²	44	74%	0.743	24%	0.239	S	C	*	.			trans	-69.3	104.8	-178.2	-177.1	125	46	0	0	110.9
257	V	64.7	Low	83.8	Confident	31 Å²	31	44 Å²	44	19%	0.188	24%	0.239	C	C	.	.			trans	-80.1	141	177.7	-165.4	0	0	0	0	110.3	S253 E255 Y259 Q262	S253-V257 VanDerWaalsContact OG-CG2 3.23Å; S253-V257 WeakPolarHBondContact OG-CG2 3.09Å; E255-V257 PolarHBondContact O-N 3.01Å; E255-V257 VanDerWaalsContact O-N 3.09Å; V257-Y259 VanDerWaalsContact C-N 3.31Å; V257-Y259 PolarHBondContact O-N 2.89Å; V257-Q262 HydrophobicContact CG1-CB 3.8Å
258	A	58.1	Low	83.8	Confident	84 Å²	84	44 Å²	44	69%	0.694	24%	0.239	S	C	*	.	S	Bend	trans	-64.9	-32.4	-178.4	0	0	0	0	0	113.5
259	Y	63.6	Low	83.8	Confident	81 Å²	81	43.9 Å²	43.9	32%	0.318	24%	0.239	S	C	.	.	S	Bend	trans	-117	121.2	-178.7	-58.8	-79.6	0	0	0	110.2	V257 S261 Q262 E302	V257-Y259 VanDerWaalsContact C-N 3.31Å; V257-Y259 PolarHBondContact O-N 2.89Å; Y259-S261 PolarHBondContact O-N 2.89Å; Y259-Q262 PolarHBondContact O-N 2.94Å; Y259-Q262 VanDerWaalsContact O-N 3.08Å; Y259-E302 PolarHBondContact OH-OE2 3.4Å; Y259-E302 VanDerWaalsContact OH-OE2 3.05Å
260	P	61.9	Low	83.8	Confident	136 Å²	136	44.6 Å²	44.6	88%	0.883	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.8	-178.1	-26.7	35.5	0	0	0	115.7
261	S	67	Low	83.8	Confident	67 Å²	67	44.4 Å²	44.4	47%	0.469	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-12	177.8	51.2	0	0	0	0	114.4	Y259	Y259-S261 PolarHBondContact O-N 2.89Å
262	Q	75.2	Confident	83.9	Confident	26 Å²	26	44.6 Å²	44.6	12%	0.121	24%	0.241	C	C	.	.			trans	-98	109.6	177.6	-67.1	175.1	15.5	0	0	108.6	V257 Y259 N306	V257-Q262 HydrophobicContact CG1-CB 3.8Å; Y259-Q262 PolarHBondContact O-N 2.94Å; Y259-Q262 VanDerWaalsContact O-N 3.08Å; Q262-N306 VanDerWaalsContact CD-ND2 3.34Å; Q262-N306 PolarHBondContact OE1-ND2 2.91Å
263	T	84.9	Confident	84	Confident	63 Å²	63	40.7 Å²	40.7	39%	0.387	23%	0.228	S	C	.	.			trans	-101.3	-16.9	-177.4	83.1	0	0	0	0	112.9	S253 E331	S253-T263 PolarHBondContact N-O 2.8Å; T263-E331 WeakPolarHBondContact CB-OE1 3.32Å; T263-E331 PolarHBondContact N-OE1 3.26Å; T263-E331 PolarHBondContact N-OE2 3.03Å; T263-E331 PolarHBondContact OG1-OE1 3.03Å
264	K	92.7	Very high	84.2	Confident	62 Å²	62	43.7 Å²	43.7	27%	0.27	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	157.2	-176.9	-66.4	-171.5	174.3	-160.7	0	113.4	T250 E251 N306 E331	T250-K264 HydrophobicContact CG2-CB 3.84Å; T250-K264 HydrophobicContact CG2-CD 3.95Å; T250-K264 HydrophobicContact CG2-CG 4.38Å; E251-K264 CarbonylContact O-C 3.45Å; E251-K264 VanDerWaalsContact O-CA 3.26Å; E251-K264 WeakPolarHBondContact O-CA 3.45Å; K264-N306 VanDerWaalsContact O-CB 3.25Å; K264-N306 WeakPolarHBondContact O-CB 3.16Å; K264-E331 PolarHBondContact N-OE2 2.77Å; K264-E331 VanDerWaalsContact N-OE2 3.09Å
265	V	95.3	Very high	85	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.4	171.9	-71.2	0	0	0	0	110.7	E251 N306	E251-V265 HydrophobicContact CG-CG2 4.14Å; E251-V265 PolarHBondContact N-O 3.19Å; E251-V265 PolarHBondContact O-N 3.35Å; V265-N306 CarbonylContact C-O 3.58Å
266	S	97.8	Very high	85.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	143.9	171.5	-67.2	0	0	0	0	111	M294 N306 L308	S266-M294 PolarHBondContact O-N 2.87Å; S266-N306 PolarHBondContact N-O 2.71Å; S266-N306 PolarHBondContact OG-O 2.83Å; S266-L308 WeakPolarHBondContact OG-CB 3.2Å; S266-L308 PolarHBondContact OG-N 2.96Å; S266-L308 VanDerWaalsContact OG-N 3.15Å
267	R	98.3	Very high	87.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.4	-176.7	-62.9	-62.9	-164.2	-161.6	-1	112.2	F248 F249 E251 E255 A292	F248-R267 WeakPolarHBondContact CA-O 3.43Å; F249-R267 HydrophobicContact CD1-CB 4.2Å; F249-R267 HydrophobicContact CD2-CB 3.93Å; F249-R267 HydrophobicContact CD2-CG 4.15Å; F249-R267 HydrophobicContact CE1-CB 3.86Å; F249-R267 HydrophobicContact CE2-CB 3.58Å; F249-R267 HydrophobicContact CE2-CG 3.6Å; F249-R267 HydrophobicContact CG-CB 4.23Å; F249-R267 HydrophobicContact CZ-CB 3.53Å; F249-R267 HydrophobicContact CZ-CG 3.91Å; F249-R267 PolarHBondContact N-O 3.25Å; F249-R267 PolarHBondContact O-N 3.38Å; E251-R267 HydrophobicContact CG-CG 3.84Å; E251-R267 IonicContact OE1-CZ 2.7Å; E251-R267 VanDerWaalsContact OE1-CZ 3.31Å; E251-R267 IonicContact OE1-NE 3.87Å; E251-R267 PolarHBondContact OE1-NE 3.31Å; E251-R267 IonicContact OE1-NH2 2.87Å; E251-R267 PolarHBondContact OE1-NH2 2.62Å; E255-R267 IonicContact OE1-NH1 2.83Å; E255-R267 IonicContact OE2-CZ 2.78Å; E255-R267 IonicContact OE2-NH1 2.69Å; E255-R267 PolarHBondContact OE2-NH1 2.89Å; E255-R267 IonicContact OE2-NH2 3.78Å; E255-R267 PolarHBondContact OE2-NH2 3.08Å; R267-A292 WeakPolarHBondContact CA-O 3.36Å; R267-A292 VanDerWaalsContact CD-O 3.26Å; R267-A292 WeakPolarHBondContact CD-O 3.37Å
268	V	98.8	Very high	88.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.1	151.2	57	0	0	0	0	107.8	Y246 F247 F248 K291 A292 M294 V348 F352 V413	Y246-V268 HydrophobicContact CD1-CG2 3.85Å; F247-V268 CarbonylContact O-C 3.58Å; F247-V268 WeakPolarHBondContact O-CA 3.45Å; F248-V268 HydrophobicContact CD1-CB 3.99Å; F248-V268 HydrophobicContact CD1-CG2 4Å; F248-V268 HydrophobicContact CE1-CB 3.92Å; F248-V268 HydrophobicContact CE1-CG2 3.57Å; F248-V268 HydrophobicContact CZ-CG2 4.29Å; V268-K291 CarbonylContact O-C 3.52Å; V268-K291 WeakPolarHBondContact O-CA 3.31Å; V268-A292 HydrophobicContact CG1-CB 4.33Å; V268-A292 PolarHBondContact N-O 3.34Å; V268-A292 VanDerWaalsContact N-O 3.15Å; V268-A292 PolarHBondContact O-N 2.96Å; V268-M294 HydrophobicContact CB-CG 4.08Å; V268-M294 HydrophobicContact CB-SD 3.75Å; V268-M294 HydrophobicContact CG1-CG 3.85Å; V268-M294 HydrophobicContact CG1-SD 4.15Å; V268-V348 HydrophobicContact CG1-CG1 4.29Å; V268-V348 HydrophobicContact CG2-CG1 4.32Å; V268-F352 HydrophobicContact CG1-CE2 4.34Å; V268-F352 HydrophobicContact CG1-CZ 4.21Å; V268-F352 HydrophobicContact CG2-CE2 4.43Å; V268-F352 HydrophobicContact CG2-CZ 4.45Å; V268-V413 HydrophobicContact CG1-CG2 3.98Å
269	A	98.8	Very high	90.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	163.2	167.2	0	0	0	0	0	110.6	Y246 F247 F249 F289 L290 K291	Y246-A269 CarbonylContact C-O 3.59Å; Y246-A269 VanDerWaalsContact CA-O 3.24Å; Y246-A269 WeakPolarHBondContact CA-O 3.38Å; F247-A269 PolarHBondContact N-O 2.69Å; F247-A269 PolarHBondContact O-N 2.95Å; F249-A269 HydrophobicContact CE1-CB 3.72Å; F249-A269 HydrophobicContact CZ-CB 4.28Å; A269-F289 HydrophobicContact CB-CD2 4.49Å; A269-F289 HydrophobicContact CB-CE2 3.64Å; A269-F289 HydrophobicContact CB-CZ 4.07Å; A269-L290 CarbonylContact C-O 3.48Å; A269-L290 WeakPolarHBondContact CA-O 3.29Å; A269-L290 VanDerWaalsContact CB-O 3.3Å; A269-L290 WeakPolarHBondContact CB-O 3.43Å; A269-K291 HydrophobicContact CB-CB 3.78Å
270	R	98.3	Very high	91.9	Very high	16 Å²	16	42.4 Å²	42.4	6%	0.06	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.7	174.5	72.5	174.7	-161.6	172.2	4.4	112.1	I245 Y246 F289 L290 F352 G377	I245-R270 VanDerWaalsContact O-CA 3.29Å; I245-R270 WeakPolarHBondContact O-CA 3.25Å; Y246-R270 HydrophobicContact CD1-CB 3.75Å; Y246-R270 HydrophobicContact CE1-CB 3.61Å; Y246-R270 HydrophobicContact CE1-CG 4.36Å; Y246-R270 HydrophobicContact CG-CB 4.32Å; R270-F289 WeakPolarHBondContact O-CA 3.36Å; R270-L290 PolarHBondContact N-O 2.76Å; R270-L290 PolarHBondContact O-N 2.98Å; R270-F352 HydrophobicContact CB-CE2 4.44Å; R270-F352 HydrophobicContact CB-CZ 4.44Å; R270-F352 HydrophobicContact CG-CD1 4.29Å; R270-F352 HydrophobicContact CG-CD2 4.32Å; R270-F352 HydrophobicContact CG-CE1 4.19Å; R270-F352 HydrophobicContact CG-CE2 4.2Å; R270-F352 HydrophobicContact CG-CG 4.37Å; R270-F352 HydrophobicContact CG-CZ 4.14Å; R270-G377 PolarHBondContact NH2-O 2.84Å
271	V	98.5	Very high	93.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.2	161.6	-58.8	0	0	0	0	109	K244 I245 F247 W286 F289	K244-V271 VanDerWaalsContact CA-O 3.31Å; K244-V271 WeakPolarHBondContact CA-O 3.14Å; I245-V271 HydrophobicContact CB-CG2 4.2Å; I245-V271 PolarHBondContact N-O 3.2Å; I245-V271 PolarHBondContact O-N 2.91Å; F247-V271 HydrophobicContact CE2-CG2 4.07Å; V271-W286 HydrophobicContact CB-CD2 4.2Å; V271-W286 HydrophobicContact CB-CE3 3.85Å; V271-W286 HydrophobicContact CB-CH2 4.49Å; V271-W286 HydrophobicContact CB-CZ3 4.02Å; V271-W286 HydrophobicContact CG1-CB 4.49Å; V271-W286 HydrophobicContact CG1-CD2 3.73Å; V271-W286 HydrophobicContact CG1-CE3 3.93Å; V271-W286 HydrophobicContact CG1-CG 3.98Å; V271-W286 HydrophobicContact CG1-CZ3 4.41Å; V271-W286 HydrophobicContact CG2-CE3 4.19Å; V271-W286 HydrophobicContact CG2-CH2 3.93Å; V271-W286 HydrophobicContact CG2-CZ2 4.33Å; V271-W286 HydrophobicContact CG2-CZ3 3.84Å; V271-F289 HydrophobicContact CG1-CB 4.13Å; V271-F289 HydrophobicContact CG1-CD2 4.02Å
272	C	97.4	Very high	94.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.02	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.5	167.4	-53.8	0	0	0	0	109.3	D242 N274 D275 T288 C379	D242-C272 HydrophobicContact CB-CB 4.49Å; C272-N274 PolarHBondContact O-N 2.84Å; C272-D275 PolarHBondContact O-N 3.05Å; C272-T288 HydrophobicContact CB-CG2 3.81Å; C272-T288 PolarHBondContact N-OG1 3.36Å; C272-T288 VanDerWaalsContact SG-CB 3.52Å; C272-T288 WeakPolarHBondContact SG-CG2 3.19Å; C272-C379 HydrophobicContact CB-CB 3.83Å; C272-C379 WeakPolarHBondContact CB-SG 3.44Å; C272-C379 WeakPolarHBondContact SG-CA 3.36Å; C272-C379 WeakPolarHBondContact SG-CB 3.46Å; C272-C379 PolarHBondContact SG-N 3.4Å; C272-C379 VanDerWaalsContact SG-N 3.42Å; C272-C379 CovalentContact SG-SG 2.02Å; C272-C379 PolarHBondContact SG-SG 2.88Å
273	K	95.3	Very high	95.9	Very high	30 Å²	30	39.2 Å²	39.2	13%	0.13	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-47.4	-176.3	-171.9	-161.8	171.9	-146.6	0	111.5	E186 F188 R203 D242 D243 D275	E186-K273 WeakPolarHBondContact OE1-CE 3.37Å; E186-K273 IonicContact OE1-NZ 2.75Å; E186-K273 PolarHBondContact OE1-NZ 2.8Å; E186-K273 VanDerWaalsContact OE2-CE 3.23Å; E186-K273 WeakPolarHBondContact OE2-CE 3.42Å; E186-K273 IonicContact OE2-NZ 2.7Å; F188-K273 HydrophobicContact CZ-CG 4.12Å; R203-K273 PolarHBondContact NH1-O 3.14Å; D242-K273 PolarHBondContact OD2-N 2.95Å; D242-K273 VanDerWaalsContact OD2-N 3.09Å; D243-K273 HydrophobicContact CB-CB 4.09Å; D243-K273 HydrophobicContact CB-CD 4.23Å; D243-K273 WeakPolarHBondContact O-CB 3.43Å; D243-K273 PolarHBondContact O-N 3.44Å; K273-D275 VanDerWaalsContact C-N 3.28Å; K273-D275 PolarHBondContact O-N 2.97Å
274	N	93.6	Very high	96.4	Very high	82 Å²	82	43.4 Å²	43.4	44%	0.439	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	29.8	-175.1	-69.3	-69.6	0	0	0	113.6	D242 C272	D242-N274 PolarHBondContact OD1-ND2 3.14Å; D242-N274 WeakPolarHBondContact OD2-CB 3.25Å; D242-N274 PolarHBondContact OD2-N 2.91Å; C272-N274 PolarHBondContact O-N 2.84Å
275	D	96.6	Very high	96.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.011	18%	0.181	C	C	.	.			trans	-68.3	138.5	168.8	-166.3	-31.5	0	0	0	110.3	R203 L210 C272 K273 G277 W286 T287 T288 S392	R203-D275 PolarHBondContact NH1-O 3.01Å; R203-D275 PolarHBondContact NH2-O 3.24Å; L210-D275 HydrophobicContact CD1-CB 3.9Å; L210-D275 VanDerWaalsContact CD1-O 3.29Å; L210-D275 WeakPolarHBondContact CD1-O 3.44Å; C272-D275 PolarHBondContact O-N 3.05Å; K273-D275 VanDerWaalsContact C-N 3.28Å; K273-D275 PolarHBondContact O-N 2.97Å; D275-G277 WeakPolarHBondContact OD1-CA 3.35Å; D275-G277 PolarHBondContact OD1-N 3.32Å; D275-W286 HydrophobicContact CB-CE3 3.78Å; D275-W286 HydrophobicContact CB-CZ3 3.96Å; D275-W286 WeakPolarHBondContact OD2-CA 3.29Å; D275-T287 PolarHBondContact OD1-N 3.26Å; D275-T287 PolarHBondContact OD2-N 3.5Å; D275-T288 HydrophobicContact CB-CG2 4.34Å; D275-T288 WeakPolarHBondContact OD2-CB 3.33Å; D275-T288 WeakPolarHBondContact OD2-CG2 3.3Å; D275-T288 PolarHBondContact OD2-N 2.86Å; D275-T288 PolarHBondContact OD2-OG1 2.91Å; D275-S392 PolarHBondContact OD1-OG 2.84Å
276	W	96.1	Very high	96.7	Very high	97 Å²	97	41.7 Å²	41.7	37%	0.367	18%	0.181	S	C	.	.			trans	-119.4	7.5	179.7	-73.6	86.9	0	0	0	113.3	P208 S392 R393	P208-W276 VanDerWaalsContact CD-CE3 3.43Å; P208-W276 VanDerWaalsContact CD-CZ3 3.43Å; P208-W276 HydrophobicContact CG-CE3 4.09Å; W276-S392 WeakPolarHBondContact CA-OG 3.48Å; W276-S392 WeakPolarHBondContact CB-OG 3.27Å; W276-S392 PolarHBondContact N-OG 2.91Å; W276-R393 HydrophobicContact CB-CG 4.26Å; W276-R393 PolarHBondContact O-NE 3.38Å
277	G	96.9	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	18%	0.182	C	C	.	.			trans	70.5	176.2	-166.8	0	0	0	0	0	112.9	D275 K285 T287 S392 R393	D275-G277 WeakPolarHBondContact OD1-CA 3.35Å; D275-G277 PolarHBondContact OD1-N 3.32Å; G277-K285 WeakPolarHBondContact CA-O 3.47Å; G277-T287 VanDerWaalsContact C-CG2 3.45Å; G277-S392 PolarHBondContact N-OG 3.08Å; G277-S392 CarbonylContact O-C 3.59Å; G277-S392 PolarHBondContact O-OG 3.2Å; G277-R393 VanDerWaalsContact O-CG 3.24Å; G277-R393 WeakPolarHBondContact O-CG 3.38Å; G277-R393 PolarHBondContact O-N 3.36Å
278	G	97	Very high	96.8	Very high	4 Å²	4	42.2 Å²	42.2	4%	0.041	18%	0.184	C	C	.	.			trans	-89.8	156.2	175.1	0	0	0	0	0	112.6	T281 L282 Q283	G278-T281 CarbonylContact C-O 3.57Å; G278-T281 VanDerWaalsContact CA-O 3.23Å; G278-T281 WeakPolarHBondContact CA-O 3.49Å; G278-L282 PolarHBondContact N-O 3.44Å; G278-Q283 WeakPolarHBondContact O-CA 3.43Å; G278-Q283 WeakPolarHBondContact O-CG 3.29Å
279	Q	95.2	Very high	96.7	Very high	113 Å²	113	42.2 Å²	42.2	53%	0.528	18%	0.184	S	C	.	.	S	Bend	trans	-75.7	-27.3	-175.4	-175.9	65.3	-1	0	0	113.7	Q283 R393	Q279-Q283 PolarHBondContact O-NE2 2.93Å; Q279-R393 HydrophobicContact CB-CB 4.18Å; Q279-R393 VanDerWaalsContact CB-O 3.27Å; Q279-R393 WeakPolarHBondContact CB-O 3.34Å
280	R	94.1	Very high	96.7	Very high	190 Å²	190	42.3 Å²	42.3	72%	0.717	18%	0.184	S	C	*	.	S	Bend	trans	-132	-67.3	-179	-68	173.5	178.2	167.3	-0.9	110.6	Q283 D397	R280-Q283 WeakPolarHBondContact O-CG 3.45Å; R280-D397 WeakPolarHBondContact CD-OD2 3.08Å; R280-D397 IonicContact NH1-OD2 3.59Å
281	T	95.6	Very high	96.8	Very high	28 Å²	28	41.6 Å²	41.6	17%	0.172	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	145.1	165.4	-54.7	0	0	0	0	109.4	G278 Q283 D397 L400	G278-T281 CarbonylContact C-O 3.57Å; G278-T281 VanDerWaalsContact CA-O 3.23Å; G278-T281 WeakPolarHBondContact CA-O 3.49Å; T281-Q283 VanDerWaalsContact C-N 3.3Å; T281-Q283 PolarHBondContact O-N 2.88Å; T281-D397 VanDerWaalsContact CB-OD1 3.23Å; T281-D397 WeakPolarHBondContact CB-OD1 3.42Å; T281-D397 PolarHBondContact N-OD1 2.93Å; T281-D397 VanDerWaalsContact N-OD1 3.16Å; T281-D397 PolarHBondContact OG1-OD1 2.83Å; T281-L400 HydrophobicContact CG2-CB 3.68Å
282	L	96.3	Very high	96.7	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	35	179.5	-65.3	167.4	0	0	0	115.2	W219 G278 R284 K285 T287 L400 A403 R404	W219-L282 HydrophobicContact CH2-CD2 4.12Å; W219-L282 HydrophobicContact CZ2-CD2 4.03Å; G278-L282 PolarHBondContact N-O 3.44Å; L282-R284 PolarHBondContact O-N 2.88Å; L282-K285 HydrophobicContact CB-CB 4.12Å; L282-K285 HydrophobicContact CD2-CB 3.73Å; L282-K285 HydrophobicContact CD2-CG 4.38Å; L282-K285 PolarHBondContact O-N 2.93Å; L282-K285 VanDerWaalsContact O-N 3.08Å; L282-K285 VanDerWaalsContact O-O 3.04Å; L282-T287 HydrophobicContact CB-CG2 4.5Å; L282-L400 HydrophobicContact CD1-CB 4.34Å; L282-L400 HydrophobicContact CD1-CD2 4.41Å; L282-L400 WeakPolarHBondContact CD1-O 3.39Å; L282-A403 HydrophobicContact CD1-CB 4.31Å; L282-R404 HydrophobicContact CD1-CB 4.27Å; L282-R404 HydrophobicContact CD2-CB 4.14Å; L282-R404 HydrophobicContact CD2-CG 4Å; L282-R404 HydrophobicContact CG-CB 4.31Å
283	Q	95.9	Very high	96.7	Very high	124 Å²	124	42.2 Å²	42.2	58%	0.579	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	126	169.4	-78.1	177.1	-4.5	0	0	111.6	G278 Q279 R280 T281 K285	G278-Q283 WeakPolarHBondContact O-CA 3.43Å; G278-Q283 WeakPolarHBondContact O-CG 3.29Å; Q279-Q283 PolarHBondContact O-NE2 2.93Å; R280-Q283 WeakPolarHBondContact O-CG 3.45Å; T281-Q283 VanDerWaalsContact C-N 3.3Å; T281-Q283 PolarHBondContact O-N 2.88Å; Q283-K285 PolarHBondContact O-N 2.04Å; Q283-K285 VanDerWaalsContact O-N 3.12Å
284	R	95.3	Very high	96.9	Very high	151 Å²	151	40.9 Å²	40.9	57%	0.57	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	22	-175.1	-55.1	-174.8	-172.6	177	2.5	114.4	L210 R211 L282	L210-R284 WeakPolarHBondContact CA-O 3.41Å; R211-R284 PolarHBondContact N-O 3.11Å; L282-R284 PolarHBondContact O-N 2.88Å
285	K	97.5	Very high	97	Very high	27 Å²	27	37.2 Å²	37.2	12%	0.117	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-119.1	151.5	171	-59.3	-57.9	-179.2	103	0	108.9	R211 T212 E213 G277 L282 Q283	R211-K285 HydrophobicContact CG-CD 3.81Å; R211-K285 VanDerWaalsContact O-CA 3.26Å; R211-K285 WeakPolarHBondContact O-CA 3.33Å; R211-K285 WeakPolarHBondContact O-CD 3.48Å; T212-K285 WeakPolarHBondContact O-CD 3.2Å; T212-K285 PolarHBondContact O-NZ 2.91Å; E213-K285 IonicContact OE2-NZ 3.14Å; E213-K285 PolarHBondContact OE2-NZ 2.96Å; G277-K285 WeakPolarHBondContact CA-O 3.47Å; L282-K285 HydrophobicContact CB-CB 4.12Å; L282-K285 HydrophobicContact CD2-CB 3.73Å; L282-K285 HydrophobicContact CD2-CG 4.38Å; L282-K285 PolarHBondContact O-N 2.93Å; L282-K285 VanDerWaalsContact O-N 3.08Å; L282-K285 VanDerWaalsContact O-O 3.04Å; Q283-K285 PolarHBondContact O-N 2.04Å; Q283-K285 VanDerWaalsContact O-N 3.12Å
286	W	98.1	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.158	C	C	.	.			trans	-54.6	140.8	172.8	-56.2	107.5	0	0	0	110.7	F188 I201 R203 L210 R211 W219 V271 D275 F289	F188-W286 AromaticContact CD1-CH2 3.82Å; F188-W286 HydrophobicContact CD1-CH2 3.82Å; F188-W286 HydrophobicContact CD1-CZ2 4.47Å; F188-W286 AromaticContact CE1-CH2 3.81Å; F188-W286 HydrophobicContact CE1-CH2 3.81Å; F188-W286 HydrophobicContact CE1-CZ3 4.47Å; I201-W286 PolarHBondContact O-NE1 2.87Å; R203-W286 HydrophobicContact CB-CH2 3.86Å; R203-W286 HydrophobicContact CB-CZ2 4.23Å; L210-W286 HydrophobicContact CB-CD2 3.94Å; L210-W286 HydrophobicContact CB-CE3 4.09Å; L210-W286 HydrophobicContact CB-CH2 4.21Å; L210-W286 HydrophobicContact CB-CZ2 4.07Å; L210-W286 HydrophobicContact CB-CZ3 4.23Å; L210-W286 HydrophobicContact CD1-CD2 4.18Å; L210-W286 HydrophobicContact CD1-CE3 3.55Å; L210-W286 HydrophobicContact CD1-CH2 4.35Å; L210-W286 HydrophobicContact CD1-CZ3 3.64Å; L210-W286 HydrophobicContact CG-CE3 4.48Å; R211-W286 VanDerWaalsContact C-CD1 3.42Å; R211-W286 PolarHBondContact O-N 2.99Å; W219-W286 HydrophobicContact CH2-CB 4.47Å; W219-W286 WeakPolarHBondContact CH2-O 3.32Å; W219-W286 HydrophobicContact CZ3-CB 4.17Å; V271-W286 HydrophobicContact CB-CD2 4.2Å; V271-W286 HydrophobicContact CB-CE3 3.85Å; V271-W286 HydrophobicContact CB-CH2 4.49Å; V271-W286 HydrophobicContact CB-CZ3 4.02Å; V271-W286 HydrophobicContact CG1-CB 4.49Å; V271-W286 HydrophobicContact CG1-CD2 3.73Å; V271-W286 HydrophobicContact CG1-CE3 3.93Å; V271-W286 HydrophobicContact CG1-CG 3.98Å; V271-W286 HydrophobicContact CG1-CZ3 4.41Å; V271-W286 HydrophobicContact CG2-CE3 4.19Å; V271-W286 HydrophobicContact CG2-CH2 3.93Å; V271-W286 HydrophobicContact CG2-CZ2 4.33Å; V271-W286 HydrophobicContact CG2-CZ3 3.84Å; D275-W286 HydrophobicContact CB-CE3 3.78Å; D275-W286 HydrophobicContact CB-CZ3 3.96Å; D275-W286 WeakPolarHBondContact OD2-CA 3.29Å; W286-F289 HydrophobicContact CB-CB 3.81Å; W286-F289 HydrophobicContact CG-CB 4.35Å
287	T	98.2	Very high	96.8	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	-96.4	-17.7	163.6	74.7	0	0	0	0	111.3	D275 G277 L282 S392 L400	D275-T287 PolarHBondContact OD1-N 3.26Å; D275-T287 PolarHBondContact OD2-N 3.5Å; G277-T287 VanDerWaalsContact C-CG2 3.45Å; L282-T287 HydrophobicContact CB-CG2 4.5Å; T287-S392 WeakPolarHBondContact OG1-CB 3.39Å; T287-L400 HydrophobicContact CG2-CD2 3.42Å; T287-L400 VanDerWaalsContact CG2-CD2 3.42Å
288	T	98.4	Very high	96.6	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	-103.2	0.2	-169.6	60.8	0	0	0	0	114.8	C272 D275 L290	C272-T288 HydrophobicContact CB-CG2 3.81Å; C272-T288 PolarHBondContact N-OG1 3.36Å; C272-T288 VanDerWaalsContact SG-CB 3.52Å; C272-T288 WeakPolarHBondContact SG-CG2 3.19Å; D275-T288 HydrophobicContact CB-CG2 4.34Å; D275-T288 WeakPolarHBondContact OD2-CB 3.33Å; D275-T288 WeakPolarHBondContact OD2-CG2 3.3Å; D275-T288 PolarHBondContact OD2-N 2.86Å; D275-T288 PolarHBondContact OD2-OG1 2.91Å; T288-L290 PolarHBondContact O-N 3.03Å
289	F	98.7	Very high	96.1	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	17%	0.167	C	C	.	.			trans	-68.4	123.3	-178.2	178.1	-97.1	0	0	0	112.9	I201 T212 W219 L220 A269 R270 V271 W286 K291 P407	I201-F289 HydrophobicContact CD1-CD2 4.43Å; I201-F289 HydrophobicContact CD1-CE2 3.65Å; I201-F289 HydrophobicContact CD1-CZ 4.48Å; T212-F289 HydrophobicContact CG2-CD2 3.94Å; T212-F289 HydrophobicContact CG2-CE2 4.01Å; T212-F289 HydrophobicContact CG2-CG 4.24Å; T212-F289 HydrophobicContact CG2-CZ 4.37Å; W219-F289 HydrophobicContact CB-CD1 4.47Å; W219-F289 HydrophobicContact CB-CE1 3.96Å; W219-F289 AromaticContact CD2-CD1 3.74Å; W219-F289 HydrophobicContact CD2-CD1 3.74Å; W219-F289 HydrophobicContact CD2-CE1 4.12Å; W219-F289 HydrophobicContact CE3-CB 4.02Å; W219-F289 AromaticContact CE3-CD1 3.22Å; W219-F289 HydrophobicContact CE3-CD1 3.22Å; W219-F289 AromaticContact CE3-CE1 3.81Å; W219-F289 HydrophobicContact CE3-CE1 3.81Å; W219-F289 AromaticContact CE3-CG 3.71Å; W219-F289 HydrophobicContact CE3-CG 3.71Å; W219-F289 HydrophobicContact CG-CD1 4.32Å; W219-F289 HydrophobicContact CG-CE1 4.25Å; W219-F289 HydrophobicContact CH2-CB 4.02Å; W219-F289 HydrophobicContact CH2-CD1 4.38Å; W219-F289 HydrophobicContact CZ3-CB 3.47Å; W219-F289 VanDerWaalsContact CZ3-CB 3.47Å; W219-F289 AromaticContact CZ3-CD1 3.62Å; W219-F289 HydrophobicContact CZ3-CD1 3.62Å; W219-F289 AromaticContact CZ3-CG 3.71Å; W219-F289 HydrophobicContact CZ3-CG 3.71Å; L220-F289 HydrophobicContact CD2-CZ 4.26Å; A269-F289 HydrophobicContact CB-CD2 4.49Å; A269-F289 HydrophobicContact CB-CE2 3.64Å; A269-F289 HydrophobicContact CB-CZ 4.07Å; R270-F289 WeakPolarHBondContact O-CA 3.36Å; V271-F289 HydrophobicContact CG1-CB 4.13Å; V271-F289 HydrophobicContact CG1-CD2 4.02Å; W286-F289 HydrophobicContact CB-CB 3.81Å; W286-F289 HydrophobicContact CG-CB 4.35Å; F289-K291 HydrophobicContact CZ-CB 4.22Å; F289-P407 HydrophobicContact CD1-CB 4.01Å; F289-P407 HydrophobicContact CE1-CB 3.99Å
290	L	98.7	Very high	95.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.4	168.4	-63.9	174.8	0	0	0	110	A269 R270 T288 F352 Y356 P407 M409	A269-L290 CarbonylContact C-O 3.48Å; A269-L290 WeakPolarHBondContact CA-O 3.29Å; A269-L290 VanDerWaalsContact CB-O 3.3Å; A269-L290 WeakPolarHBondContact CB-O 3.43Å; R270-L290 PolarHBondContact N-O 2.76Å; R270-L290 PolarHBondContact O-N 2.98Å; T288-L290 PolarHBondContact O-N 3.03Å; L290-F352 HydrophobicContact CB-CD1 3.63Å; L290-F352 HydrophobicContact CB-CE1 3.74Å; L290-F352 HydrophobicContact CD1-CD1 4.16Å; L290-F352 WeakPolarHBondContact O-CE1 3.23Å; L290-Y356 HydrophobicContact CD1-CE1 4.49Å; L290-Y356 HydrophobicContact CD2-CD1 4.26Å; L290-Y356 HydrophobicContact CD2-CE1 3.89Å; L290-P407 CarbonylContact C-O 3.39Å; L290-P407 WeakPolarHBondContact CA-O 3.16Å; L290-M409 HydrophobicContact CB-SD 4.23Å; L290-M409 HydrophobicContact CD1-SD 3.91Å; L290-M409 HydrophobicContact CD2-SD 4.03Å; L290-M409 HydrophobicContact CG-SD 4.29Å
291	K	98.5	Very high	95.1	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.7	171.7	72.2	179.4	-178.7	-176.6	0	112.3	W219 F249 E251 V268 A269 F289 P407 L408 M409	W219-K291 WeakPolarHBondContact O-CE 3.47Å; W219-K291 PolarHBondContact O-NZ 2.83Å; F249-K291 HydrophobicContact CZ-CB 4.48Å; F249-K291 HydrophobicContact CZ-CD 4.28Å; E251-K291 VanDerWaalsContact OE1-CE 3.31Å; E251-K291 WeakPolarHBondContact OE1-CE 3.38Å; E251-K291 IonicContact OE1-NZ 3.81Å; E251-K291 PolarHBondContact OE1-NZ 2.89Å; E251-K291 IonicContact OE2-NZ 3.98Å; E251-K291 PolarHBondContact OE2-NZ 3.17Å; V268-K291 CarbonylContact O-C 3.52Å; V268-K291 WeakPolarHBondContact O-CA 3.31Å; A269-K291 HydrophobicContact CB-CB 3.78Å; F289-K291 HydrophobicContact CZ-CB 4.22Å; K291-P407 PolarHBondContact N-O 2.62Å; K291-L408 HydrophobicContact CG-CB 4.47Å; K291-L408 HydrophobicContact CG-CD1 4.08Å; K291-L408 CarbonylContact O-C 3.4Å; K291-L408 WeakPolarHBondContact O-CA 3.36Å; K291-M409 PolarHBondContact O-N 2.98Å
292	A	98.3	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.9	175.3	0	0	0	0	0	110.5	R267 V268 V351 F352 M409 V413	R267-A292 WeakPolarHBondContact CA-O 3.36Å; R267-A292 VanDerWaalsContact CD-O 3.26Å; R267-A292 WeakPolarHBondContact CD-O 3.37Å; V268-A292 HydrophobicContact CG1-CB 4.33Å; V268-A292 PolarHBondContact N-O 3.34Å; V268-A292 VanDerWaalsContact N-O 3.15Å; V268-A292 PolarHBondContact O-N 2.96Å; A292-V351 HydrophobicContact CB-CG1 3.57Å; A292-F352 HydrophobicContact CB-CE1 4.18Å; A292-F352 HydrophobicContact CB-CZ 4.26Å; A292-M409 HydrophobicContact CB-CB 4.11Å; A292-M409 HydrophobicContact CB-CG 4.16Å; A292-V413 HydrophobicContact CB-CG2 4.1Å
293	R	97.4	Very high	94.2	Very high	17 Å²	17	37.4 Å²	37.4	6%	0.064	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.4	171	-174	155.6	172.2	179.4	-2.4	110.4	E255 V295 Q412 V413	E255-R293 WeakPolarHBondContact OE1-CD 3.02Å; E255-R293 IonicContact OE1-CZ 3.35Å; E255-R293 IonicContact OE1-NE 3.2Å; E255-R293 IonicContact OE1-NH1 2.71Å; E255-R293 PolarHBondContact OE1-NH1 3.5Å; R293-V295 HydrophobicContact CG-CG2 4.22Å; R293-Q412 HydrophobicContact CB-CB 4.14Å; R293-Q412 HydrophobicContact CB-CG 4.03Å; R293-V413 PolarHBondContact O-N 2.92Å
294	M	97.8	Very high	94	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.5	160.7	-61.6	178.6	75.9	0	0	108.4	F248 S266 V268 F328 Y343 V413	F248-M294 HydrophobicContact CD1-SD 3.95Å; F248-M294 HydrophobicContact CE1-SD 4.31Å; S266-M294 PolarHBondContact O-N 2.87Å; V268-M294 HydrophobicContact CB-CG 4.08Å; V268-M294 HydrophobicContact CB-SD 3.75Å; V268-M294 HydrophobicContact CG1-CG 3.85Å; V268-M294 HydrophobicContact CG1-SD 4.15Å; M294-F328 HydrophobicContact CB-CZ 4.47Å; M294-F328 HydrophobicContact CE-CZ 4.4Å; M294-Y343 HydrophobicContact CB-CE1 4.5Å; M294-Y343 HydrophobicContact CE-CD1 4.38Å; M294-Y343 HydrophobicContact CE-CD2 3.47Å; M294-Y343 VanDerWaalsContact CE-CD2 3.47Å; M294-Y343 HydrophobicContact CE-CE1 4.31Å; M294-Y343 HydrophobicContact CE-CE2 3.4Å; M294-Y343 HydrophobicContact CE-CG 3.98Å; M294-V413 HydrophobicContact CG-CB 4.49Å
295	V	96.2	Very high	94	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.03	13%	0.13	C	C	.	.			trans	-109.8	121.4	-179.9	-176.9	0	0	0	0	109	R293 Y343 Q412 V413 P415	R293-V295 HydrophobicContact CG-CG2 4.22Å; V295-Y343 PolarHBondContact O-OH 2.99Å; V295-Q412 HydrophobicContact CG2-CB 3.85Å; V295-V413 PolarHBondContact N-O 3.31Å; V295-P415 WeakPolarHBondContact O-CD 3.42Å
296	C	96.3	Very high	93.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.126	C	C	.	.			trans	-126.1	115.6	164.1	-163.3	0	0	0	0	108.4	L305 F328 C341	C296-L305 PolarHBondContact O-N 3.15Å; C296-F328 HydrophobicContact CB-CB 3.93Å; C296-F328 HydrophobicContact CB-CD1 3.69Å; C296-F328 HydrophobicContact CB-CD2 3.46Å; C296-F328 VanDerWaalsContact CB-CD2 3.46Å; C296-F328 HydrophobicContact CB-CE1 4.01Å; C296-F328 HydrophobicContact CB-CE2 3.83Å; C296-F328 HydrophobicContact CB-CG 3.4Å; C296-F328 HydrophobicContact CB-CZ 4.1Å; C296-F328 WeakPolarHBondContact SG-CD2 3.47Å; C296-C341 WeakPolarHBondContact CA-SG 3.47Å; C296-C341 HydrophobicContact CB-CB 3.86Å; C296-C341 WeakPolarHBondContact CB-SG 3.27Å; C296-C341 WeakPolarHBondContact SG-CB 3.27Å; C296-C341 CovalentContact SG-SG 2.04Å; C296-C341 PolarHBondContact SG-SG 3.42Å
297	S	93.3	Very high	93.7	Very high	17 Å²	17	26.3 Å²	26.3	12%	0.119	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	142.6	-171.7	53.1	0	0	0	0	110.9	P299 L303 P420	S297-P299 WeakPolarHBondContact O-CD 3.39Å; S297-L303 CarbonylContact C-O 3.5Å; S297-L303 WeakPolarHBondContact CA-O 3.07Å; S297-L303 WeakPolarHBondContact CB-O 3.43Å; S297-P420 WeakPolarHBondContact O-CD 3.2Å
298	V	91	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	102.8	173.7	-169.5	0	0	0	0	108.1	L33 E300 Y301 E302 L303 L305 P420 F423	L33-V298 HydrophobicContact CD1-CG1 3.85Å; V298-E300 WeakPolarHBondContact CG1-OE2 3.3Å; V298-E300 PolarHBondContact O-N 3.45Å; V298-Y301 HydrophobicContact CB-CD2 4.04Å; V298-Y301 HydrophobicContact CG1-CD2 3.45Å; V298-Y301 VanDerWaalsContact CG1-CD2 3.45Å; V298-Y301 HydrophobicContact CG1-CE2 3.89Å; V298-Y301 HydrophobicContact CG1-CG 4.37Å; V298-Y301 PolarHBondContact O-N 3.21Å; V298-E302 PolarHBondContact O-N 3.48Å; V298-L303 HydrophobicContact CB-CB 4.45Å; V298-L303 PolarHBondContact N-O 3.43Å; V298-L303 PolarHBondContact O-N 2.97Å; V298-L303 VanDerWaalsContact O-N 3.12Å; V298-L305 HydrophobicContact CG2-CD1 4.1Å; V298-P420 HydrophobicContact CG2-CG 4.1Å; V298-F423 HydrophobicContact CG2-CB 4.36Å; V298-F423 HydrophobicContact CG2-CD2 3.75Å; V298-F423 HydrophobicContact CG2-CE2 4.13Å; V298-F423 HydrophobicContact CG2-CG 4.03Å
299	P	87.4	Confident	93.6	Very high	72 Å²	72	31.4 Å²	31.4	47%	0.468	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-59	-35.2	-173.3	-25.5	36.1	0	0	0	113.4	S297 Y301 E302	S297-P299 WeakPolarHBondContact O-CD 3.39Å; P299-Y301 PolarHBondContact O-N 2.88Å; P299-Y301 VanDerWaalsContact O-N 3.15Å; P299-E302 PolarHBondContact O-N 3.45Å; P299-E302 VanDerWaalsContact O-N 3.13Å
300	E	83.8	Confident	93.6	Very high	102 Å²	102	32 Å²	32	48%	0.477	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-63.6	-19.3	-178	-58.5	74.8	-164.6	0	0	113.4	L33 V298	L33-E300 HydrophobicContact CD1-CG 4.24Å; V298-E300 WeakPolarHBondContact CG1-OE2 3.3Å; V298-E300 PolarHBondContact O-N 3.45Å
301	Y	83.7	Confident	93.6	Very high	88 Å²	88	33.2 Å²	33.2	35%	0.345	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-119.5	7.4	178.6	-54.5	-52.6	0	0	0	112.7	L33 V298 P299 L303 F423 R425	L33-Y301 HydrophobicContact CD1-CE2 4.25Å; V298-Y301 HydrophobicContact CB-CD2 4.04Å; V298-Y301 HydrophobicContact CG1-CD2 3.45Å; V298-Y301 VanDerWaalsContact CG1-CD2 3.45Å; V298-Y301 HydrophobicContact CG1-CE2 3.89Å; V298-Y301 HydrophobicContact CG1-CG 4.37Å; V298-Y301 PolarHBondContact O-N 3.21Å; P299-Y301 PolarHBondContact O-N 2.88Å; P299-Y301 VanDerWaalsContact O-N 3.15Å; Y301-L303 PolarHBondContact O-N 3.4Å; Y301-F423 HydrophobicContact CD2-CE1 4.36Å; Y301-F423 HydrophobicContact CE2-CD1 4.44Å; Y301-F423 HydrophobicContact CE2-CE1 4.11Å; Y301-R425 PolarHBondContact OH-NH2 3.2Å; Y301-R425 VanDerWaalsContact OH-NH2 3.07Å
302	E	86.2	Confident	93.6	Very high	130 Å²	130	35.6 Å²	35.6	61%	0.607	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	15.3	-166.3	-60.6	-172.9	176.9	0	0	114.3	Y259 V298 P299 H304	Y259-E302 PolarHBondContact OH-OE2 3.4Å; Y259-E302 VanDerWaalsContact OH-OE2 3.05Å; V298-E302 PolarHBondContact O-N 3.48Å; P299-E302 PolarHBondContact O-N 3.45Å; P299-E302 VanDerWaalsContact O-N 3.13Å; E302-H304 PolarHBondContact O-N 3.14Å; E302-H304 PolarHBondContact O-ND1 2.88Å
303	L	88.4	Confident	93.6	Very high	37 Å²	37	36.9 Å²	36.9	19%	0.194	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.1	-160.5	-176.9	64.8	0	0	0	111.1	S297 V298 Y301 L305 L330 F423	S297-L303 CarbonylContact C-O 3.5Å; S297-L303 WeakPolarHBondContact CA-O 3.07Å; S297-L303 WeakPolarHBondContact CB-O 3.43Å; V298-L303 HydrophobicContact CB-CB 4.45Å; V298-L303 PolarHBondContact N-O 3.43Å; V298-L303 PolarHBondContact O-N 2.97Å; V298-L303 VanDerWaalsContact O-N 3.12Å; Y301-L303 PolarHBondContact O-N 3.4Å; L303-L305 HydrophobicContact CD2-CD1 4.49Å; L303-L305 HydrophobicContact CG-CD1 4.32Å; L303-L330 HydrophobicContact CD1-CD2 3.79Å; L303-L330 HydrophobicContact CD2-CD2 4.39Å; L303-L330 HydrophobicContact CG-CD2 4.2Å; L303-F423 HydrophobicContact CD2-CE2 3.86Å; L303-F423 HydrophobicContact CD2-CZ 3.85Å
304	H	91.1	Very high	93.5	Very high	48 Å²	48	37.4 Å²	37.4	22%	0.222	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.3	177.7	-67.6	60.3	0	0	0	110.9	E302 N306	E302-H304 PolarHBondContact O-N 3.14Å; E302-H304 PolarHBondContact O-ND1 2.88Å; H304-N306 PolarHBondContact O-N 3.1Å
305	L	94.3	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.			trans	-97.7	79.6	177	-62.2	95.7	0	0	0	108.3	C296 V298 L303 V307 F328 G329 L330 A339 F423	C296-L305 PolarHBondContact O-N 3.15Å; V298-L305 HydrophobicContact CG2-CD1 4.1Å; L303-L305 HydrophobicContact CD2-CD1 4.49Å; L303-L305 HydrophobicContact CG-CD1 4.32Å; L305-V307 VanDerWaalsContact C-N 3.32Å; L305-V307 PolarHBondContact O-N 3.34Å; L305-F328 HydrophobicContact CB-CB 3.73Å; L305-F328 WeakPolarHBondContact O-CB 3.06Å; L305-F328 WeakPolarHBondContact O-CD1 3.26Å; L305-G329 CarbonylContact C-O 3.42Å; L305-L330 HydrophobicContact CD2-CD2 4.37Å; L305-L330 HydrophobicContact CG-CD2 4.05Å; L305-A339 HydrophobicContact CD1-CB 3.87Å; L305-A339 HydrophobicContact CD2-CB 3.76Å; L305-A339 HydrophobicContact CG-CB 4.29Å; L305-F423 HydrophobicContact CD2-CE2 4.4Å
306	N	93	Very high	92.8	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.032	22%	0.221	C	C	.	.			trans	-79	-6.5	-170	-68.9	-43	0	0	0	114.9	Q262 K264 V265 S266 H304	Q262-N306 VanDerWaalsContact CD-ND2 3.34Å; Q262-N306 PolarHBondContact OE1-ND2 2.91Å; K264-N306 VanDerWaalsContact O-CB 3.25Å; K264-N306 WeakPolarHBondContact O-CB 3.16Å; V265-N306 CarbonylContact C-O 3.58Å; S266-N306 PolarHBondContact N-O 2.71Å; S266-N306 PolarHBondContact OG-O 2.83Å; H304-N306 PolarHBondContact O-N 3.1Å
307	V	96.6	Very high	92.3	Very high	14 Å²	14	56 Å²	56	9%	0.085	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	104.6	-176.5	-174.1	0	0	0	0	110.9	T250 L305 F328 G329 E331	T250-V307 HydrophobicContact CG2-CG1 4.36Å; T250-V307 HydrophobicContact CG2-CG2 4.47Å; L305-V307 VanDerWaalsContact C-N 3.32Å; L305-V307 PolarHBondContact O-N 3.34Å; V307-F328 CarbonylContact O-C 3.53Å; V307-F328 WeakPolarHBondContact O-CA 3.25Å; V307-G329 PolarHBondContact N-O 2.95Å; V307-G329 PolarHBondContact O-N 2.69Å; V307-E331 HydrophobicContact CG2-CB 4.09Å; V307-E331 HydrophobicContact CG2-CG 4.39Å
308	L	98.4	Very high	92	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.3	172.1	-171.5	70.5	0	0	0	110.5	V226 F248 T250 S266 V311 F328	V226-L308 HydrophobicContact CB-CD2 4.12Å; V226-L308 HydrophobicContact CB-CG 4.41Å; V226-L308 HydrophobicContact CG1-CD2 4.25Å; V226-L308 HydrophobicContact CG1-CG 4.21Å; V226-L308 HydrophobicContact CG2-CB 4.29Å; V226-L308 HydrophobicContact CG2-CD2 4.08Å; V226-L308 HydrophobicContact CG2-CG 4.08Å; F248-L308 HydrophobicContact CB-CD2 3.81Å; T250-L308 PolarHBondContact OG1-N 3.37Å; T250-L308 PolarHBondContact OG1-O 3.36Å; S266-L308 WeakPolarHBondContact OG-CB 3.2Å; S266-L308 PolarHBondContact OG-N 2.96Å; S266-L308 VanDerWaalsContact OG-N 3.15Å; L308-V311 HydrophobicContact CD1-CG2 3.79Å; L308-V311 HydrophobicContact CD2-CG2 3.69Å; L308-V311 HydrophobicContact CG-CG2 4.06Å; L308-F328 HydrophobicContact CB-CD1 4.42Å; L308-F328 HydrophobicContact CB-CE1 4.3Å; L308-F328 HydrophobicContact CD1-CD1 4.05Å; L308-F328 HydrophobicContact CD1-CD2 4.39Å; L308-F328 HydrophobicContact CD1-CE1 3.6Å; L308-F328 HydrophobicContact CD1-CE2 3.96Å; L308-F328 HydrophobicContact CD1-CG 4.43Å; L308-F328 HydrophobicContact CD1-CZ 3.53Å
309	R	97.6	Very high	91.9	Very high	112 Å²	112	60 Å²	60	42%	0.423	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-38.9	-178.1	-59.1	-57.7	-176.2	172.9	-0.6	113.1	V327	R309-V327 HydrophobicContact CB-CB 4.29Å; R309-V327 HydrophobicContact CB-CG1 4.11Å; R309-V327 PolarHBondContact N-O 3.27Å
310	D	98.5	Very high	92	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.08	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	156.9	-178.5	-154.4	45.8	0	0	0	111.1	V327 K431 I432	D310-V327 HydrophobicContact CB-CB 4.14Å; D310-V327 HydrophobicContact CB-CG2 3.97Å; D310-V327 PolarHBondContact O-N 3.48Å; D310-K431 IonicContact OD1-NZ 2.67Å; D310-K431 PolarHBondContact OD1-NZ 3.13Å; D310-K431 VanDerWaalsContact OD2-CA 3.29Å; D310-K431 WeakPolarHBondContact OD2-CA 3.03Å; D310-I432 HydrophobicContact CB-CG2 4.17Å; D310-I432 WeakPolarHBondContact OD2-CG2 3.44Å; D310-I432 PolarHBondContact OD2-N 3.49Å
311	V	98.4	Very high	92.4	Very high	25 Å²	25	57.7 Å²	57.7	15%	0.152	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.5	176.1	176	0	0	0	0	110.6	V226 F248 L308 V313 Y325	V226-V311 HydrophobicContact CG1-CG2 4.31Å; F248-V311 HydrophobicContact CB-CG2 3.86Å; F248-V311 HydrophobicContact CD1-CG1 4.38Å; F248-V311 HydrophobicContact CD1-CG2 4.23Å; F248-V311 HydrophobicContact CD2-CB 4.26Å; F248-V311 HydrophobicContact CD2-CG1 3.93Å; F248-V311 HydrophobicContact CD2-CG2 4.34Å; F248-V311 HydrophobicContact CE1-CG1 4.37Å; F248-V311 HydrophobicContact CE2-CG1 3.92Å; F248-V311 HydrophobicContact CG-CB 4.32Å; F248-V311 HydrophobicContact CG-CG1 4.16Å; F248-V311 HydrophobicContact CG-CG2 3.9Å; F248-V311 HydrophobicContact CZ-CG1 4.15Å; L308-V311 HydrophobicContact CD1-CG2 3.79Å; L308-V311 HydrophobicContact CD2-CG2 3.69Å; L308-V311 HydrophobicContact CG-CG2 4.06Å; V311-V313 HydrophobicContact CG1-CG2 3.99Å; V311-Y325 VanDerWaalsContact CA-O 3.31Å; V311-Y325 WeakPolarHBondContact CA-O 3.28Å
312	F	98.2	Very high	93	Very high	52 Å²	52	53.6 Å²	53.6	23%	0.228	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.9	167.3	-169.2	-83.8	0	0	0	109.8	L314 Y325 I432 A433 V434	F312-L314 HydrophobicContact CD1-CB 4.38Å; F312-L314 HydrophobicContact CE1-CB 4.23Å; F312-L314 HydrophobicContact CE1-CD1 4.19Å; F312-Y325 PolarHBondContact N-O 3.08Å; F312-Y325 PolarHBondContact O-N 3.23Å; F312-I432 HydrophobicContact CB-CG2 3.99Å; F312-A433 HydrophobicContact CD2-CB 4.4Å; F312-A433 HydrophobicContact CE2-CB 4.28Å; F312-V434 HydrophobicContact CB-CG2 4.19Å; F312-V434 HydrophobicContact CD1-CB 3.59Å; F312-V434 HydrophobicContact CD1-CG2 3.75Å; F312-V434 HydrophobicContact CE1-CB 3.7Å; F312-V434 HydrophobicContact CE1-CG2 4.36Å; F312-V434 VanDerWaalsContact CE1-O 3.27Å; F312-V434 WeakPolarHBondContact CE1-O 3.42Å; F312-V434 HydrophobicContact CG-CB 4.27Å; F312-V434 HydrophobicContact CG-CG2 4.05Å; F312-V434 HydrophobicContact CZ-CB 4.43Å; F312-V434 WeakPolarHBondContact CZ-O 3.29Å
313	V	97.6	Very high	93.5	Very high	26 Å²	26	49.4 Å²	49.4	16%	0.158	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	102.2	179.6	174.5	0	0	0	0	109.2	V229 L231 F248 V311 Q315 F324	V229-V313 HydrophobicContact CB-CG2 4.46Å; V229-V313 HydrophobicContact CG1-CB 4.47Å; V229-V313 HydrophobicContact CG1-CG1 4.4Å; V229-V313 HydrophobicContact CG1-CG2 4.06Å; V229-V313 HydrophobicContact CG2-CB 4.32Å; V229-V313 HydrophobicContact CG2-CG1 4.3Å; L231-V313 HydrophobicContact CD2-CG1 4.3Å; F248-V313 HydrophobicContact CE2-CG2 4.22Å; F248-V313 HydrophobicContact CZ-CG2 4.23Å; V311-V313 HydrophobicContact CG1-CG2 3.99Å; V313-Q315 HydrophobicContact CG1-CG 4.27Å; V313-Q315 PolarHBondContact O-N 3.41Å; V313-Q315 VanDerWaalsContact O-N 3.17Å; V313-F324 HydrophobicContact CB-CD1 4.25Å; V313-F324 HydrophobicContact CG1-CD1 3.67Å; V313-F324 HydrophobicContact CG1-CE1 3.68Å; V313-F324 HydrophobicContact CG2-CB 4.46Å; V313-F324 HydrophobicContact CG2-CD1 3.76Å; V313-F324 HydrophobicContact CG2-CE1 4.16Å; V313-F324 HydrophobicContact CG2-CG 4.06Å
314	L	96.1	Very high	94	Very high	28 Å²	28	47.7 Å²	47.7	15%	0.147	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	96.2	177.7	-173.7	63.3	0	0	0	108.3	F312 S322 I323 Y325 V434 K436	F312-L314 HydrophobicContact CD1-CB 4.38Å; F312-L314 HydrophobicContact CE1-CB 4.23Å; F312-L314 HydrophobicContact CE1-CD1 4.19Å; L314-S322 VanDerWaalsContact O-CA 3.3Å; L314-S322 WeakPolarHBondContact O-CA 3.33Å; L314-I323 PolarHBondContact N-O 2.95Å; L314-I323 PolarHBondContact O-N 3.49Å; L314-Y325 HydrophobicContact CB-CD2 4.29Å; L314-Y325 HydrophobicContact CB-CE2 3.8Å; L314-Y325 HydrophobicContact CD2-CE2 3.89Å; L314-V434 HydrophobicContact CD2-CG1 3.96Å; L314-K436 HydrophobicContact CD2-CD 4.38Å; L314-K436 HydrophobicContact CD2-CG 4.19Å
315	Q	92.2	Very high	94.4	Very high	108 Å²	108	45.4 Å²	45.4	51%	0.505	22%	0.223	S	C	.	.			trans	-68.9	133.9	178	-61.8	-168.4	5.3	0	0	110.4	L230 L231 V313	L230-Q315 PolarHBondContact O-NE2 3.29Å; L231-Q315 HydrophobicContact CD2-CG 4.29Å; V313-Q315 HydrophobicContact CG1-CG 4.27Å; V313-Q315 PolarHBondContact O-N 3.41Å; V313-Q315 VanDerWaalsContact O-N 3.17Å
316	G	87.3	Confident	94.6	Very high	35 Å²	35	45.4 Å²	45.4	36%	0.361	22%	0.223	S	C	.	.			trans	-87.5	-173.2	177.2	0	0	0	0	0	113.1	D318 S321 S322	G316-D318 PolarHBondContact O-N 3.3Å; G316-S321 WeakPolarHBondContact CA-OG 3.09Å; G316-S322 PolarHBondContact N-OG 3.44Å
317	R	84.8	Confident	94.8	Very high	257 Å²	257	45.1 Å²	45.1	97%	0.97	22%	0.222	S	C	*	.	S	Bend	trans	-65.5	-30.7	173.1	-68.1	-174.9	-179.3	178.2	1.3	112.3	S321	R317-S321 PolarHBondContact N-OG 3.08Å
318	D	86.9	Confident	94.9	Very high	77 Å²	77	44.5 Å²	44.5	41%	0.412	22%	0.218	S	C	.	.	S	Bend	trans	-118.4	146.1	166.8	171.1	15.5	0	0	0	107.6	G316 Q320 S321	G316-D318 PolarHBondContact O-N 3.3Å; D318-Q320 PolarHBondContact O-N 3.5Å; D318-Q320 VanDerWaalsContact O-N 3.17Å; D318-Q320 PolarHBondContact OD1-N 3.35Å; D318-Q320 VanDerWaalsContact OD2-CB 3.28Å; D318-Q320 WeakPolarHBondContact OD2-CB 3.44Å; D318-Q320 WeakPolarHBondContact OD2-CG 3.48Å; D318-S321 PolarHBondContact N-OG 3.41Å; D318-S321 WeakPolarHBondContact O-CA 3.37Å; D318-S321 PolarHBondContact O-N 2.88Å; D318-S321 PolarHBondContact O-OG 2.97Å
319	V	88.9	Confident	94.8	Very high	22 Å²	22	44.4 Å²	44.4	13%	0.133	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-52.1	-36.8	174.1	-178.2	0	0	0	0	110.9	L231 E233 S321 S322 F345	L231-V319 HydrophobicContact CB-CG1 3.98Å; L231-V319 HydrophobicContact CD1-CG1 4.22Å; L231-V319 HydrophobicContact CD2-CG1 4.46Å; L231-V319 HydrophobicContact CG-CG1 4.46Å; E233-V319 HydrophobicContact CG-CG1 3.99Å; V319-S321 PolarHBondContact O-N 3.25Å; V319-S322 VanDerWaalsContact O-CB 3.27Å; V319-S322 WeakPolarHBondContact O-CB 3.31Å; V319-S322 PolarHBondContact O-N 3.35Å; V319-S322 VanDerWaalsContact O-N 3.09Å; V319-S322 PolarHBondContact O-OG 3.42Å; V319-F345 HydrophobicContact CG1-CD1 4.04Å; V319-F345 HydrophobicContact CG1-CE1 3.78Å; V319-F345 HydrophobicContact CG1-CZ 4.4Å; V319-F345 VanDerWaalsContact O-CD1 3.29Å; V319-F345 WeakPolarHBondContact O-CD1 3.26Å
320	Q	89.3	Confident	94.5	Very high	61 Å²	61	39.7 Å²	39.7	29%	0.285	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-60.7	-25.8	176.4	-52.3	-53.4	-48.5	0	0	114.2	D318 S322 R349	D318-Q320 PolarHBondContact O-N 3.5Å; D318-Q320 VanDerWaalsContact O-N 3.17Å; D318-Q320 PolarHBondContact OD1-N 3.35Å; D318-Q320 VanDerWaalsContact OD2-CB 3.28Å; D318-Q320 WeakPolarHBondContact OD2-CB 3.44Å; D318-Q320 WeakPolarHBondContact OD2-CG 3.48Å; Q320-S322 VanDerWaalsContact C-N 3.34Å; Q320-R349 VanDerWaalsContact NE2-NH1 3.17Å
321	S	93.2	Very high	94.1	Very high	65 Å²	65	41.6 Å²	41.6	46%	0.455	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-91.7	10.9	178.6	62.7	0	0	0	0	114.1	G316 R317 D318 V319	G316-S321 WeakPolarHBondContact CA-OG 3.09Å; R317-S321 PolarHBondContact N-OG 3.08Å; D318-S321 PolarHBondContact N-OG 3.41Å; D318-S321 WeakPolarHBondContact O-CA 3.37Å; D318-S321 PolarHBondContact O-N 2.88Å; D318-S321 PolarHBondContact O-OG 2.97Å; V319-S321 PolarHBondContact O-N 3.25Å
322	S	96.3	Very high	93.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	23%	0.225	C	C	.	.			trans	-78.3	144.6	177.9	-48	0	0	0	0	112.3	L314 G316 V319 Q320 F345	L314-S322 VanDerWaalsContact O-CA 3.3Å; L314-S322 WeakPolarHBondContact O-CA 3.33Å; G316-S322 PolarHBondContact N-OG 3.44Å; V319-S322 VanDerWaalsContact O-CB 3.27Å; V319-S322 WeakPolarHBondContact O-CB 3.31Å; V319-S322 PolarHBondContact O-N 3.35Å; V319-S322 VanDerWaalsContact O-N 3.09Å; V319-S322 PolarHBondContact O-OG 3.42Å; Q320-S322 VanDerWaalsContact C-N 3.34Å; S322-F345 VanDerWaalsContact O-CB 3.29Å; S322-F345 WeakPolarHBondContact O-CB 3.45Å; S322-F345 PolarHBondContact O-N 2.88Å
323	I	97.4	Very high	92.5	Very high	43 Å²	43	52.9 Å²	52.9	22%	0.221	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.9	178.5	-56.2	176.9	0	0	0	109.3	L314 Y325 Q342	L314-I323 PolarHBondContact N-O 2.95Å; L314-I323 PolarHBondContact O-N 3.49Å; I323-Y325 HydrophobicContact CB-CE2 3.85Å; I323-Y325 HydrophobicContact CG2-CD2 4.1Å; I323-Y325 HydrophobicContact CG2-CE2 3.56Å; I323-Q342 HydrophobicContact CG2-CB 4.16Å; I323-Q342 HydrophobicContact CG2-CG 4.48Å
324	F	98.4	Very high	91.9	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.1	175.3	-59.8	2.5	0	0	0	108.5	L231 F248 V313 Q342 Y343 F345 V348	L231-F324 HydrophobicContact CD1-CE1 3.92Å; L231-F324 HydrophobicContact CD1-CZ 3.79Å; F248-F324 AromaticContact CE1-CD2 3.65Å; F248-F324 HydrophobicContact CE1-CD2 3.65Å; F248-F324 AromaticContact CE1-CE2 3.85Å; F248-F324 HydrophobicContact CE1-CE2 3.85Å; F248-F324 AromaticContact CZ-CD2 3.61Å; F248-F324 HydrophobicContact CZ-CD2 3.61Å; F248-F324 AromaticContact CZ-CE2 3.58Å; F248-F324 HydrophobicContact CZ-CE2 3.58Å; F248-F324 HydrophobicContact CZ-CG 4.36Å; F248-F324 HydrophobicContact CZ-CZ 4.31Å; V313-F324 HydrophobicContact CB-CD1 4.25Å; V313-F324 HydrophobicContact CG1-CD1 3.67Å; V313-F324 HydrophobicContact CG1-CE1 3.68Å; V313-F324 HydrophobicContact CG2-CB 4.46Å; V313-F324 HydrophobicContact CG2-CD1 3.76Å; V313-F324 HydrophobicContact CG2-CE1 4.16Å; V313-F324 HydrophobicContact CG2-CG 4.06Å; F324-Q342 CarbonylContact O-C 3.58Å; F324-Q342 WeakPolarHBondContact O-CA 3.44Å; F324-Y343 PolarHBondContact N-O 2.91Å; F324-Y343 PolarHBondContact O-N 3.12Å; F324-F345 HydrophobicContact CE1-CB 4.19Å; F324-F345 AromaticContact CE1-CD2 3.92Å; F324-F345 HydrophobicContact CE1-CD2 3.92Å; F324-F345 HydrophobicContact CE1-CG 4.42Å; F324-F345 HydrophobicContact CE2-CD2 4.45Å; F324-F345 AromaticContact CZ-CD2 3.58Å; F324-F345 HydrophobicContact CZ-CD2 3.58Å; F324-F345 HydrophobicContact CZ-CE2 4.3Å; F324-F345 HydrophobicContact CZ-CG 4.48Å; F324-V348 HydrophobicContact CD2-CG2 3.99Å; F324-V348 HydrophobicContact CE2-CB 4.4Å; F324-V348 HydrophobicContact CE2-CG1 4.11Å; F324-V348 HydrophobicContact CE2-CG2 3.89Å
325	Y	98.5	Very high	91.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.9	173.7	-63.5	-103.3	0	0	0	108.2	V311 F312 L314 I323 Q342 L421 V434 T446 L448	V311-Y325 VanDerWaalsContact CA-O 3.31Å; V311-Y325 WeakPolarHBondContact CA-O 3.28Å; F312-Y325 PolarHBondContact N-O 3.08Å; F312-Y325 PolarHBondContact O-N 3.23Å; L314-Y325 HydrophobicContact CB-CD2 4.29Å; L314-Y325 HydrophobicContact CB-CE2 3.8Å; L314-Y325 HydrophobicContact CD2-CE2 3.89Å; I323-Y325 HydrophobicContact CB-CE2 3.85Å; I323-Y325 HydrophobicContact CG2-CD2 4.1Å; I323-Y325 HydrophobicContact CG2-CE2 3.56Å; Y325-Q342 HydrophobicContact CD1-CG 3.83Å; Y325-Q342 HydrophobicContact CE1-CG 3.58Å; Y325-Q342 VanDerWaalsContact CE1-OE1 3.26Å; Y325-Q342 VanDerWaalsContact CZ-OE1 3.26Å; Y325-Q342 PolarHBondContact OH-OE1 2.84Å; Y325-L421 HydrophobicContact CE1-CD2 4.24Å; Y325-V434 HydrophobicContact CD1-CG2 4.14Å; Y325-V434 HydrophobicContact CD2-CG1 4.5Å; Y325-V434 HydrophobicContact CD2-CG2 3.93Å; Y325-V434 HydrophobicContact CE1-CG1 4.45Å; Y325-V434 HydrophobicContact CE2-CG1 4.09Å; Y325-V434 HydrophobicContact CE2-CG2 4.34Å; Y325-V434 HydrophobicContact CG-CG2 3.85Å; Y325-T446 HydrophobicContact CE1-CG2 4.37Å; Y325-L448 HydrophobicContact CD1-CD2 4.09Å; Y325-L448 HydrophobicContact CE1-CD2 4.05Å
326	G	98.4	Very high	91.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.4	174.9	0	0	0	0	0	111.9	F328 C341	G326-F328 VanDerWaalsContact C-CE2 3.47Å; G326-F328 WeakPolarHBondContact O-CD2 3.48Å; G326-F328 WeakPolarHBondContact O-CE2 3.46Å; G326-C341 PolarHBondContact N-O 3.26Å; G326-C341 PolarHBondContact O-N 3.05Å; G326-C341 VanDerWaalsContact O-N 3.08Å
327	V	98.6	Very high	91.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119	170.1	-175.8	0	0	0	0	108.6	R309 D310 I340 Y429 I432	R309-V327 HydrophobicContact CB-CB 4.29Å; R309-V327 HydrophobicContact CB-CG1 4.11Å; R309-V327 PolarHBondContact N-O 3.27Å; D310-V327 HydrophobicContact CB-CB 4.14Å; D310-V327 HydrophobicContact CB-CG2 3.97Å; D310-V327 PolarHBondContact O-N 3.48Å; V327-I340 HydrophobicContact CB-CD1 4.37Å; V327-I340 HydrophobicContact CG1-CD1 4.23Å; V327-I340 HydrophobicContact CG2-CD1 3.92Å; V327-Y429 WeakPolarHBondContact CG1-O 3.34Å; V327-I432 HydrophobicContact CG2-CB 3.62Å; V327-I432 HydrophobicContact CG2-CD1 4.42Å; V327-I432 HydrophobicContact CG2-CG2 3.43Å; V327-I432 VanDerWaalsContact CG2-CG2 3.43Å
328	F	98.1	Very high	92.2	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.1	-177.4	-62.6	-95.8	0	0	0	111	M294 C296 L305 V307 L308 G326 S338 A339 C341 Y343	M294-F328 HydrophobicContact CB-CZ 4.47Å; M294-F328 HydrophobicContact CE-CZ 4.4Å; C296-F328 HydrophobicContact CB-CB 3.93Å; C296-F328 HydrophobicContact CB-CD1 3.69Å; C296-F328 HydrophobicContact CB-CD2 3.46Å; C296-F328 VanDerWaalsContact CB-CD2 3.46Å; C296-F328 HydrophobicContact CB-CE1 4.01Å; C296-F328 HydrophobicContact CB-CE2 3.83Å; C296-F328 HydrophobicContact CB-CG 3.4Å; C296-F328 HydrophobicContact CB-CZ 4.1Å; C296-F328 WeakPolarHBondContact SG-CD2 3.47Å; L305-F328 HydrophobicContact CB-CB 3.73Å; L305-F328 WeakPolarHBondContact O-CB 3.06Å; L305-F328 WeakPolarHBondContact O-CD1 3.26Å; V307-F328 CarbonylContact O-C 3.53Å; V307-F328 WeakPolarHBondContact O-CA 3.25Å; L308-F328 HydrophobicContact CB-CD1 4.42Å; L308-F328 HydrophobicContact CB-CE1 4.3Å; L308-F328 HydrophobicContact CD1-CD1 4.05Å; L308-F328 HydrophobicContact CD1-CD2 4.39Å; L308-F328 HydrophobicContact CD1-CE1 3.6Å; L308-F328 HydrophobicContact CD1-CE2 3.96Å; L308-F328 HydrophobicContact CD1-CG 4.43Å; L308-F328 HydrophobicContact CD1-CZ 3.53Å; G326-F328 VanDerWaalsContact C-CE2 3.47Å; G326-F328 WeakPolarHBondContact O-CD2 3.48Å; G326-F328 WeakPolarHBondContact O-CE2 3.46Å; F328-S338 CarbonylContact O-C 3.55Å; F328-S338 VanDerWaalsContact O-CA 3.26Å; F328-S338 WeakPolarHBondContact O-CA 3.32Å; F328-A339 PolarHBondContact N-O 3.15Å; F328-A339 PolarHBondContact O-N 3.26Å; F328-C341 HydrophobicContact CD2-CB 4.05Å; F328-C341 HydrophobicContact CE2-CB 3.75Å; F328-Y343 AromaticContact CE2-CE2 3.79Å; F328-Y343 HydrophobicContact CE2-CE2 3.79Å; F328-Y343 VanDerWaalsContact CE2-OH 3.28Å; F328-Y343 WeakPolarHBondContact CE2-OH 3.13Å; F328-Y343 AromaticContact CZ-CE2 3.82Å; F328-Y343 HydrophobicContact CZ-CE2 3.82Å; F328-Y343 AromaticContact CZ-CZ 3.81Å; F328-Y343 WeakPolarHBondContact CZ-OH 3.34Å
329	G	95.8	Very high	92.7	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	177.2	174.8	0	0	0	0	0	112.5	L305 V307	L305-G329 CarbonylContact C-O 3.42Å; V307-G329 PolarHBondContact N-O 2.95Å; V307-G329 PolarHBondContact O-N 2.69Å
330	L	92.5	Very high	93.1	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.063	20%	0.204	C	C	.	.			trans	-76	156.6	177.8	-59.6	178.3	0	0	0	112.6	L303 L305 W332 I335 A337	L303-L330 HydrophobicContact CD1-CD2 3.79Å; L303-L330 HydrophobicContact CD2-CD2 4.39Å; L303-L330 HydrophobicContact CG-CD2 4.2Å; L305-L330 HydrophobicContact CD2-CD2 4.37Å; L305-L330 HydrophobicContact CG-CD2 4.05Å; L330-W332 VanDerWaalsContact C-N 3.34Å; L330-W332 HydrophobicContact CD1-CE3 4.25Å; L330-I335 HydrophobicContact CD1-CB 3.99Å; L330-I335 HydrophobicContact CD1-CG2 3.66Å; L330-A337 HydrophobicContact CD1-CB 3.88Å; L330-A337 HydrophobicContact CG-CB 4.24Å
331	E	89.6	Confident	93.5	Very high	55 Å²	55	38.9 Å²	38.9	26%	0.257	19%	0.19	S	C	.	.	S	Bend	trans	-75.3	-26.8	170.2	-163.2	172.5	159.2	0	0	111.3	T263 K264 V307 K333	T263-E331 WeakPolarHBondContact CB-OE1 3.32Å; T263-E331 PolarHBondContact N-OE1 3.26Å; T263-E331 PolarHBondContact N-OE2 3.03Å; T263-E331 PolarHBondContact OG1-OE1 3.03Å; K264-E331 PolarHBondContact N-OE2 2.77Å; K264-E331 VanDerWaalsContact N-OE2 3.09Å; V307-E331 HydrophobicContact CG2-CB 4.09Å; V307-E331 HydrophobicContact CG2-CG 4.39Å; E331-K333 PolarHBondContact O-N 2.83Å
332	W	85.1	Confident	93.7	Very high	126 Å²	126	36.6 Å²	36.6	48%	0.477	17%	0.173	S	C	.	.			trans	-79.2	108.9	176.2	-51.5	-47.3	0	0	0	111.6	L330 N334 I335	L330-W332 VanDerWaalsContact C-N 3.34Å; L330-W332 HydrophobicContact CD1-CE3 4.25Å; W332-N334 PolarHBondContact O-N 3.12Å; W332-I335 HydrophobicContact CE3-CD1 4.05Å; W332-I335 PolarHBondContact O-N 2.88Å
333	K	78.3	Confident	93.8	Very high	188 Å²	188	36.6 Å²	36.6	82%	0.817	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.2	-178.4	-66.6	-175.3	176.3	-175.3	0	114.8	E331 I335	E331-K333 PolarHBondContact O-N 2.83Å; K333-I335 VanDerWaalsContact C-N 3.34Å
334	N	84.1	Confident	93.8	Very high	161 Å²	161	35.6 Å²	35.6	86%	0.861	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.7	-171.7	-59.5	23.1	0	0	0	113.2	W332	W332-N334 PolarHBondContact O-N 3.12Å
335	I	87.5	Confident	93.7	Very high	92 Å²	92	35.6 Å²	35.6	47%	0.472	17%	0.17	S	C	.	.	S	Bend	trans	-119.7	108.6	180	-58	176.5	0	0	0	107.9	L330 W332 K333 A337	L330-I335 HydrophobicContact CD1-CB 3.99Å; L330-I335 HydrophobicContact CD1-CG2 3.66Å; W332-I335 HydrophobicContact CE3-CD1 4.05Å; W332-I335 PolarHBondContact O-N 2.88Å; K333-I335 VanDerWaalsContact C-N 3.34Å; I335-A337 PolarHBondContact O-N 3.18Å
336	K	90.7	Very high	93.6	Very high	60 Å²	60	37.6 Å²	37.6	26%	0.261	18%	0.184	S	C	.	.			trans	-76.3	112.7	175.4	-63.4	-154	172.7	-167.6	0	110.4	S426 N428 D453 E454	K336-S426 WeakPolarHBondContact O-CA 2.98Å; K336-S426 PolarHBondContact O-N 3.03Å; K336-N428 WeakPolarHBondContact CA-OD1 3.43Å; K336-N428 WeakPolarHBondContact CG-ND2 3.35Å; K336-D453 WeakPolarHBondContact CE-OD2 3.49Å; K336-D453 IonicContact NZ-OD1 3.94Å; K336-D453 PolarHBondContact NZ-OD1 3.38Å; K336-D453 IonicContact NZ-OD2 2.74Å; K336-D453 PolarHBondContact NZ-OD2 3.31Å; K336-E454 IonicContact NZ-OE1 3.79Å; K336-E454 PolarHBondContact NZ-OE1 2.93Å
337	A	93.6	Very high	93.5	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	140.9	169	0	0	0	0	0	110.4	L330 I335 F423 K424 V427	L330-A337 HydrophobicContact CD1-CB 3.88Å; L330-A337 HydrophobicContact CG-CB 4.24Å; I335-A337 PolarHBondContact O-N 3.18Å; A337-F423 HydrophobicContact CB-CE2 4.17Å; A337-F423 HydrophobicContact CB-CZ 4.36Å; A337-K424 WeakPolarHBondContact CA-O 3.27Å; A337-V427 CarbonylContact C-O 3.58Å
338	S	96.1	Very high	93.5	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.3	-178.4	-56	0	0	0	0	112.1	F328 F423 K424 V427 N428 Y429	F328-S338 CarbonylContact O-C 3.55Å; F328-S338 VanDerWaalsContact O-CA 3.26Å; F328-S338 WeakPolarHBondContact O-CA 3.32Å; S338-F423 CarbonylContact O-C 3.52Å; S338-F423 WeakPolarHBondContact O-CA 3.33Å; S338-F423 WeakPolarHBondContact O-CD2 3.32Å; S338-K424 PolarHBondContact N-O 3.07Å; S338-K424 PolarHBondContact O-N 2.92Å; S338-V427 PolarHBondContact N-O 3.4Å; S338-V427 PolarHBondContact OG-O 2.73Å; S338-N428 VanDerWaalsContact OG-CA 3.27Å; S338-N428 WeakPolarHBondContact OG-CA 3.31Å; S338-Y429 PolarHBondContact OG-N 2.84Å
339	A	96.3	Very high	93.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.1	169.4	0	0	0	0	0	110.7	L305 F328 P420 M422 F423	L305-A339 HydrophobicContact CD1-CB 3.87Å; L305-A339 HydrophobicContact CD2-CB 3.76Å; L305-A339 HydrophobicContact CG-CB 4.29Å; F328-A339 PolarHBondContact N-O 3.15Å; F328-A339 PolarHBondContact O-N 3.26Å; A339-P420 HydrophobicContact CB-CB 4.05Å; A339-M422 CarbonylContact C-O 3.56Å; A339-M422 VanDerWaalsContact CA-O 3.27Å; A339-M422 WeakPolarHBondContact CA-O 3.17Å; A339-F423 HydrophobicContact CB-CD2 4.33Å
340	I	97.3	Very high	93.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.1	171.9	-48.7	-59.1	0	0	0	107.2	V327 P420 L421 M422 Y429 I432 L450	V327-I340 HydrophobicContact CB-CD1 4.37Å; V327-I340 HydrophobicContact CG1-CD1 4.23Å; V327-I340 HydrophobicContact CG2-CD1 3.92Å; I340-P420 CarbonylContact O-C 3.58Å; I340-P420 WeakPolarHBondContact O-CA 3.47Å; I340-P420 WeakPolarHBondContact O-CB 3.43Å; I340-L421 PolarHBondContact O-N 3.19Å; I340-M422 HydrophobicContact CB-CB 4.09Å; I340-M422 HydrophobicContact CG1-CB 4.06Å; I340-M422 HydrophobicContact CG1-SD 4.12Å; I340-M422 PolarHBondContact N-O 2.94Å; I340-M422 PolarHBondContact O-N 3.13Å; I340-Y429 HydrophobicContact CD1-CD2 4.01Å; I340-I432 HydrophobicContact CG2-CD1 4.04Å; I340-L450 HydrophobicContact CD1-CD1 4.37Å; I340-L450 HydrophobicContact CD1-CD2 3.85Å; I340-L450 HydrophobicContact CG1-CD1 4.23Å; I340-L450 HydrophobicContact CG1-CD2 4.31Å
341	C	97.6	Very high	93.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.1	177.2	-82.2	0	0	0	0	110.6	C296 G326 F328 Y343 P415	C296-C341 WeakPolarHBondContact CA-SG 3.47Å; C296-C341 HydrophobicContact CB-CB 3.86Å; C296-C341 WeakPolarHBondContact CB-SG 3.27Å; C296-C341 WeakPolarHBondContact SG-CB 3.27Å; C296-C341 CovalentContact SG-SG 2.04Å; C296-C341 PolarHBondContact SG-SG 3.42Å; G326-C341 PolarHBondContact N-O 3.26Å; G326-C341 PolarHBondContact O-N 3.05Å; G326-C341 VanDerWaalsContact O-N 3.08Å; F328-C341 HydrophobicContact CD2-CB 4.05Å; F328-C341 HydrophobicContact CE2-CB 3.75Å; C341-Y343 HydrophobicContact CB-CE2 3.65Å; C341-Y343 WeakPolarHBondContact CB-OH 3.32Å; C341-Y343 WeakPolarHBondContact O-CE2 3.18Å; C341-P415 HydrophobicContact CB-CB 3.99Å
342	Q	97	Very high	94.2	Very high	17 Å²	17	47.8 Å²	47.8	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141	172.1	-63.7	-165.7	79.3	0	0	110.4	I323 F324 Y325 P415 V416 L421 E462	I323-Q342 HydrophobicContact CG2-CB 4.16Å; I323-Q342 HydrophobicContact CG2-CG 4.48Å; F324-Q342 CarbonylContact O-C 3.58Å; F324-Q342 WeakPolarHBondContact O-CA 3.44Å; Y325-Q342 HydrophobicContact CD1-CG 3.83Å; Y325-Q342 HydrophobicContact CE1-CG 3.58Å; Y325-Q342 VanDerWaalsContact CE1-OE1 3.26Å; Y325-Q342 VanDerWaalsContact CZ-OE1 3.26Å; Y325-Q342 PolarHBondContact OH-OE1 2.84Å; Q342-P415 CarbonylContact O-C 3.58Å; Q342-P415 WeakPolarHBondContact O-CA 3.41Å; Q342-P415 VanDerWaalsContact O-CB 3.24Å; Q342-P415 WeakPolarHBondContact O-CB 3.36Å; Q342-V416 HydrophobicContact CB-CB 4.31Å; Q342-V416 HydrophobicContact CB-CG2 4.02Å; Q342-V416 PolarHBondContact O-N 2.91Å; Q342-L421 HydrophobicContact CG-CB 4.1Å; Q342-L421 HydrophobicContact CG-CD2 3.91Å; Q342-E462 PolarHBondContact NE2-OE1 3.28Å
343	Y	98.3	Very high	94.8	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.3	173.3	-50.2	-93	0	0	0	109.6	M294 V295 F324 F328 C341 V413 H414 P415	M294-Y343 HydrophobicContact CB-CE1 4.5Å; M294-Y343 HydrophobicContact CE-CD1 4.38Å; M294-Y343 HydrophobicContact CE-CD2 3.47Å; M294-Y343 VanDerWaalsContact CE-CD2 3.47Å; M294-Y343 HydrophobicContact CE-CE1 4.31Å; M294-Y343 HydrophobicContact CE-CE2 3.4Å; M294-Y343 HydrophobicContact CE-CG 3.98Å; V295-Y343 PolarHBondContact O-OH 2.99Å; F324-Y343 PolarHBondContact N-O 2.91Å; F324-Y343 PolarHBondContact O-N 3.12Å; F328-Y343 AromaticContact CE2-CE2 3.79Å; F328-Y343 HydrophobicContact CE2-CE2 3.79Å; F328-Y343 VanDerWaalsContact CE2-OH 3.28Å; F328-Y343 WeakPolarHBondContact CE2-OH 3.13Å; F328-Y343 AromaticContact CZ-CE2 3.82Å; F328-Y343 HydrophobicContact CZ-CE2 3.82Å; F328-Y343 AromaticContact CZ-CZ 3.81Å; F328-Y343 WeakPolarHBondContact CZ-OH 3.34Å; C341-Y343 HydrophobicContact CB-CE2 3.65Å; C341-Y343 WeakPolarHBondContact CB-OH 3.32Å; C341-Y343 WeakPolarHBondContact O-CE2 3.18Å; Y343-V413 HydrophobicContact CD1-CG1 3.71Å; Y343-V413 HydrophobicContact CE1-CG1 4.47Å; Y343-V413 HydrophobicContact CG-CG1 4.32Å; Y343-H414 WeakPolarHBondContact CD1-O 3.46Å; Y343-P415 HydrophobicContact CD1-CB 4.21Å; Y343-P415 HydrophobicContact CE1-CB 3.91Å
344	A	97.3	Very high	95.7	Very high	23 Å²	23	38.3 Å²	38.3	19%	0.19	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	134.7	173	0	0	0	0	0	110	S346 D347 V348	A344-S346 PolarHBondContact O-N 3.08Å; A344-D347 PolarHBondContact O-N 2.88Å; A344-V348 PolarHBondContact O-N 3.35Å
345	F	97.4	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-33	178.6	174.1	-111.9	0	0	0	112.6	L231 E233 Y246 V319 S322 F324 D347 V348 R349	L231-F345 HydrophobicContact CD1-CD2 3.57Å; L231-F345 HydrophobicContact CD1-CE2 3.46Å; L231-F345 VanDerWaalsContact CD1-CE2 3.46Å; L231-F345 HydrophobicContact CD1-CG 4.17Å; L231-F345 HydrophobicContact CD1-CZ 3.99Å; E233-F345 HydrophobicContact CG-CE1 4.41Å; E233-F345 HydrophobicContact CG-CZ 4.14Å; E233-F345 WeakPolarHBondContact OE1-CZ 3.08Å; Y246-F345 HydrophobicContact CE1-CE2 4.2Å; Y246-F345 AromaticContact CE2-CE2 4Å; Y246-F345 HydrophobicContact CE2-CE2 4Å; Y246-F345 HydrophobicContact CE2-CZ 4.49Å; Y246-F345 AromaticContact CZ-CE2 3.64Å; Y246-F345 WeakPolarHBondContact OH-CE2 3.41Å; V319-F345 HydrophobicContact CG1-CD1 4.04Å; V319-F345 HydrophobicContact CG1-CE1 3.78Å; V319-F345 HydrophobicContact CG1-CZ 4.4Å; V319-F345 VanDerWaalsContact O-CD1 3.29Å; V319-F345 WeakPolarHBondContact O-CD1 3.26Å; S322-F345 VanDerWaalsContact O-CB 3.29Å; S322-F345 WeakPolarHBondContact O-CB 3.45Å; S322-F345 PolarHBondContact O-N 2.88Å; F324-F345 HydrophobicContact CE1-CB 4.19Å; F324-F345 AromaticContact CE1-CD2 3.92Å; F324-F345 HydrophobicContact CE1-CD2 3.92Å; F324-F345 HydrophobicContact CE1-CG 4.42Å; F324-F345 HydrophobicContact CE2-CD2 4.45Å; F324-F345 AromaticContact CZ-CD2 3.58Å; F324-F345 HydrophobicContact CZ-CD2 3.58Å; F324-F345 HydrophobicContact CZ-CE2 4.3Å; F324-F345 HydrophobicContact CZ-CG 4.48Å; F345-D347 VanDerWaalsContact C-N 3.28Å; F345-D347 PolarHBondContact O-N 3.4Å; F345-V348 HydrophobicContact CD2-CB 4.35Å; F345-V348 WeakPolarHBondContact O-CB 3.25Å; F345-V348 PolarHBondContact O-N 3.46Å; F345-R349 HydrophobicContact CZ-CB 4.36Å; F345-R349 PolarHBondContact O-N 2.87Å
346	S	96	Very high	96.8	Very high	42 Å²	42	27.7 Å²	27.7	29%	0.294	14%	0.137	S	C	.	.	H	α-helix	trans	-57.3	-37.1	174.5	55.7	0	0	0	0	113.1	A344 R350	A344-S346 PolarHBondContact O-N 3.08Å; S346-R350 VanDerWaalsContact O-CB 3.29Å; S346-R350 WeakPolarHBondContact O-CB 3.35Å; S346-R350 PolarHBondContact O-N 3.03Å
347	D	97.6	Very high	97	Very high	55 Å²	55	26 Å²	26	29%	0.294	13%	0.13	S	C	.	.	H	α-helix	trans	-75.2	-38	175.6	-75.2	-54.7	0	0	0	112.9	A344 F345 R349 R350 V351	A344-D347 PolarHBondContact O-N 2.88Å; F345-D347 VanDerWaalsContact C-N 3.28Å; F345-D347 PolarHBondContact O-N 3.4Å; D347-R349 VanDerWaalsContact C-N 3.31Å; D347-R349 PolarHBondContact O-N 3.39Å; D347-R350 WeakPolarHBondContact O-CB 3.27Å; D347-R350 PolarHBondContact O-N 3.09Å; D347-R350 IonicContact OD1-CZ 3.52Å; D347-R350 IonicContact OD1-NE 3.87Å; D347-R350 PolarHBondContact OD1-NE 3.24Å; D347-R350 IonicContact OD1-NH2 2.62Å; D347-R350 PolarHBondContact OD1-NH2 3Å; D347-R350 IonicContact OD2-NH2 3.75Å; D347-V351 WeakPolarHBondContact O-CG2 3.45Å; D347-V351 PolarHBondContact O-N 2.9Å
348	V	98.2	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.5	-47.7	171.6	177	0	0	0	0	110	Y246 V268 F324 A344 F345 V351 F352 V413	Y246-V348 HydrophobicContact CD1-CG1 4.37Å; Y246-V348 HydrophobicContact CE1-CG1 4.01Å; V268-V348 HydrophobicContact CG1-CG1 4.29Å; V268-V348 HydrophobicContact CG2-CG1 4.32Å; F324-V348 HydrophobicContact CD2-CG2 3.99Å; F324-V348 HydrophobicContact CE2-CB 4.4Å; F324-V348 HydrophobicContact CE2-CG1 4.11Å; F324-V348 HydrophobicContact CE2-CG2 3.89Å; A344-V348 PolarHBondContact O-N 3.35Å; F345-V348 HydrophobicContact CD2-CB 4.35Å; F345-V348 WeakPolarHBondContact O-CB 3.25Å; F345-V348 PolarHBondContact O-N 3.46Å; V348-V351 PolarHBondContact O-N 2.84Å; V348-F352 HydrophobicContact CG1-CD2 4.04Å; V348-F352 HydrophobicContact CG1-CE2 3.67Å; V348-F352 WeakPolarHBondContact O-CD2 3.49Å; V348-F352 PolarHBondContact O-N 2.83Å; V348-V413 HydrophobicContact CG2-CG1 3.79Å
349	R	96.3	Very high	96.5	Very high	77 Å²	77	32.2 Å²	32.2	29%	0.291	16%	0.163	S	C	.	.	H	α-helix	trans	-63.6	-47.4	176.3	-169.7	-178	64.6	-163.9	-14.3	112	Q320 F345 D347 V351 F352 E353	Q320-R349 VanDerWaalsContact NE2-NH1 3.17Å; F345-R349 HydrophobicContact CZ-CB 4.36Å; F345-R349 PolarHBondContact O-N 2.87Å; D347-R349 VanDerWaalsContact C-N 3.31Å; D347-R349 PolarHBondContact O-N 3.39Å; R349-V351 PolarHBondContact O-N 2.86Å; R349-V351 VanDerWaalsContact O-N 3.15Å; R349-F352 PolarHBondContact O-N 2.97Å; R349-E353 WeakPolarHBondContact CD-OE1 3.38Å; R349-E353 HydrophobicContact CG-CG 4.48Å; R349-E353 VanDerWaalsContact CG-OE1 3.31Å; R349-E353 WeakPolarHBondContact CG-OE1 3.17Å; R349-E353 IonicContact NE-OE1 3.34Å; R349-E353 PolarHBondContact NE-OE1 2.75Å; R349-E353 WeakPolarHBondContact O-CG 3.29Å; R349-E353 PolarHBondContact O-N 2.92Å
350	R	97.5	Very high	95.8	Very high	143 Å²	143	36.5 Å²	36.5	54%	0.54	18%	0.183	S	C	.	.	H	α-helix	trans	-54.6	-32.4	178	-161.7	-157.5	-47.2	-88.9	8.3	112.8	S346 D347 G354	S346-R350 VanDerWaalsContact O-CB 3.29Å; S346-R350 WeakPolarHBondContact O-CB 3.35Å; S346-R350 PolarHBondContact O-N 3.03Å; D347-R350 WeakPolarHBondContact O-CB 3.27Å; D347-R350 PolarHBondContact O-N 3.09Å; D347-R350 IonicContact OD1-CZ 3.52Å; D347-R350 IonicContact OD1-NE 3.87Å; D347-R350 PolarHBondContact OD1-NE 3.24Å; D347-R350 IonicContact OD1-NH2 2.62Å; D347-R350 PolarHBondContact OD1-NH2 3Å; D347-R350 IonicContact OD2-NH2 3.75Å; R350-G354 PolarHBondContact O-N 3.09Å
351	V	98.4	Very high	95.2	Very high	10 Å²	10	42.9 Å²	42.9	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-74.8	-41.2	175.5	168.3	0	0	0	0	112.1	A292 D347 V348 R349 E353 G354 M409 K411 V413	A292-V351 HydrophobicContact CB-CG1 3.57Å; D347-V351 WeakPolarHBondContact O-CG2 3.45Å; D347-V351 PolarHBondContact O-N 2.9Å; V348-V351 PolarHBondContact O-N 2.84Å; R349-V351 PolarHBondContact O-N 2.86Å; R349-V351 VanDerWaalsContact O-N 3.15Å; V351-E353 VanDerWaalsContact C-N 3.26Å; V351-E353 PolarHBondContact O-N 2.85Å; V351-G354 WeakPolarHBondContact O-CA 3.4Å; V351-G354 PolarHBondContact O-N 3.2Å; V351-M409 HydrophobicContact CG1-CB 3.99Å; V351-M409 HydrophobicContact CG1-CG 4.34Å; V351-M409 WeakPolarHBondContact O-CE 3.24Å; V351-K411 HydrophobicContact CG1-CB 4.22Å; V351-K411 WeakPolarHBondContact CG1-O 3.26Å; V351-K411 HydrophobicContact CG2-CB 4.11Å; V351-V413 HydrophobicContact CB-CG2 4.12Å; V351-V413 HydrophobicContact CG1-CG2 4.09Å; V351-V413 HydrophobicContact CG2-CG2 4.1Å
352	F	98.3	Very high	94.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.1	-20.9	173.9	-71	-61	0	0	0	114	Y246 V268 R270 L290 A292 V348 R349 G354 R375 M409	Y246-F352 HydrophobicContact CD1-CE2 4.35Å; Y246-F352 HydrophobicContact CE1-CD2 4.27Å; Y246-F352 AromaticContact CE1-CE2 3.86Å; Y246-F352 HydrophobicContact CE1-CE2 3.86Å; V268-F352 HydrophobicContact CG1-CE2 4.34Å; V268-F352 HydrophobicContact CG1-CZ 4.21Å; V268-F352 HydrophobicContact CG2-CE2 4.43Å; V268-F352 HydrophobicContact CG2-CZ 4.45Å; R270-F352 HydrophobicContact CB-CE2 4.44Å; R270-F352 HydrophobicContact CB-CZ 4.44Å; R270-F352 HydrophobicContact CG-CD1 4.29Å; R270-F352 HydrophobicContact CG-CD2 4.32Å; R270-F352 HydrophobicContact CG-CE1 4.19Å; R270-F352 HydrophobicContact CG-CE2 4.2Å; R270-F352 HydrophobicContact CG-CG 4.37Å; R270-F352 HydrophobicContact CG-CZ 4.14Å; L290-F352 HydrophobicContact CB-CD1 3.63Å; L290-F352 HydrophobicContact CB-CE1 3.74Å; L290-F352 HydrophobicContact CD1-CD1 4.16Å; L290-F352 WeakPolarHBondContact O-CE1 3.23Å; A292-F352 HydrophobicContact CB-CE1 4.18Å; A292-F352 HydrophobicContact CB-CZ 4.26Å; V348-F352 HydrophobicContact CG1-CD2 4.04Å; V348-F352 HydrophobicContact CG1-CE2 3.67Å; V348-F352 WeakPolarHBondContact O-CD2 3.49Å; V348-F352 PolarHBondContact O-N 2.83Å; R349-F352 PolarHBondContact O-N 2.97Å; F352-G354 VanDerWaalsContact C-N 3.33Å; F352-R375 PolarHBondContact O-NH2 2.84Å; F352-M409 HydrophobicContact CD1-CG 3.74Å; F352-M409 HydrophobicContact CD1-SD 4.25Å; F352-M409 HydrophobicContact CE1-CG 4.16Å
353	E	96.8	Very high	93.9	Very high	105 Å²	105	53.3 Å²	53.3	49%	0.491	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.5	168.5	-68.6	162.8	175.6	0	0	112.9	R349 V351 R375	R349-E353 WeakPolarHBondContact CD-OE1 3.38Å; R349-E353 HydrophobicContact CG-CG 4.48Å; R349-E353 VanDerWaalsContact CG-OE1 3.31Å; R349-E353 WeakPolarHBondContact CG-OE1 3.17Å; R349-E353 IonicContact NE-OE1 3.34Å; R349-E353 PolarHBondContact NE-OE1 2.75Å; R349-E353 WeakPolarHBondContact O-CG 3.29Å; R349-E353 PolarHBondContact O-N 2.92Å; V351-E353 VanDerWaalsContact C-N 3.26Å; V351-E353 PolarHBondContact O-N 2.85Å; E353-R375 VanDerWaalsContact O-CZ 3.28Å; E353-R375 PolarHBondContact O-NH1 3.03Å; E353-R375 PolarHBondContact O-NH2 2.9Å
354	G	97.4	Very high	93.5	Very high	11 Å²	11	55.9 Å²	55.9	11%	0.113	29%	0.287	C	S	.	.	S	Bend	trans	-77.4	-172	-175.6	0	0	0	0	0	116.1	R350 V351 F352 R375 M409	R350-G354 PolarHBondContact O-N 3.09Å; V351-G354 WeakPolarHBondContact O-CA 3.4Å; V351-G354 PolarHBondContact O-N 3.2Å; F352-G354 VanDerWaalsContact C-N 3.33Å; G354-R375 PolarHBondContact O-NH1 3.07Å; G354-R375 PolarHBondContact O-NH2 3.03Å; G354-M409 VanDerWaalsContact O-CE 3.25Å; G354-M409 WeakPolarHBondContact O-CE 3.4Å
355	P	97.8	Very high	93.2	Very high	30 Å²	30	60.6 Å²	60.6	20%	0.195	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-71.5	153.1	174.5	29.7	-33.3	0	0	0	112	E366 A410 K411	P355-E366 HydrophobicContact CB-CG 3.73Å; P355-E366 VanDerWaalsContact CG-CD 3.44Å; P355-E366 HydrophobicContact CG-CG 3.95Å; P355-E366 VanDerWaalsContact CG-OE1 3.3Å; P355-E366 WeakPolarHBondContact CG-OE1 3.3Å; P355-A410 HydrophobicContact CG-CB 4.28Å; P355-A410 WeakPolarHBondContact O-CB 3.45Å; P355-A410 PolarHBondContact O-N 3.43Å; P355-K411 HydrophobicContact CG-CG 4.29Å
356	Y	97.8	Very high	93.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-92.2	166.1	-179.3	-52.4	-97.2	0	0	0	111.6	L290 Y367 V371 R375 P376 F402 H406 L408 M409	L290-Y356 HydrophobicContact CD1-CE1 4.49Å; L290-Y356 HydrophobicContact CD2-CD1 4.26Å; L290-Y356 HydrophobicContact CD2-CE1 3.89Å; Y356-Y367 WeakPolarHBondContact O-CB 3.44Å; Y356-Y367 PolarHBondContact O-N 3.04Å; Y356-V371 HydrophobicContact CD2-CG2 4.17Å; Y356-V371 HydrophobicContact CE2-CG1 3.87Å; Y356-V371 HydrophobicContact CE2-CG2 3.89Å; Y356-R375 VanDerWaalsContact OH-CG 3.26Å; Y356-R375 WeakPolarHBondContact OH-CG 3.39Å; Y356-R375 VanDerWaalsContact OH-CZ 3.29Å; Y356-R375 PolarHBondContact OH-NE 2.92Å; Y356-R375 PolarHBondContact OH-NH2 2.87Å; Y356-P376 PolarHBondContact OH-O 2.8Å; Y356-F402 HydrophobicContact CD1-CE1 4.21Å; Y356-F402 AromaticContact CD2-CE1 3.71Å; Y356-F402 HydrophobicContact CD2-CE1 3.71Å; Y356-F402 AromaticContact CD2-CZ 3.99Å; Y356-F402 HydrophobicContact CD2-CZ 3.99Å; Y356-F402 HydrophobicContact CE1-CE1 4.35Å; Y356-F402 AromaticContact CE2-CE1 3.89Å; Y356-F402 HydrophobicContact CE2-CE1 3.89Å; Y356-F402 HydrophobicContact CE2-CZ 4.36Å; Y356-F402 AromaticContact CG-CE1 3.89Å; Y356-F402 HydrophobicContact CG-CE1 3.89Å; Y356-F402 HydrophobicContact CG-CZ 4.41Å; Y356-H406 HydrophobicContact CD1-CB 4.18Å; Y356-H406 WeakPolarHBondContact CD1-O 3.47Å; Y356-H406 HydrophobicContact CG-CB 4.26Å; Y356-L408 CarbonylContact C-O 3.49Å; Y356-M409 HydrophobicContact CD1-CE 3.93Å; Y356-M409 HydrophobicContact CD1-SD 3.94Å; Y356-M409 HydrophobicContact CE1-CE 4.1Å; Y356-M409 HydrophobicContact CE1-SD 4.2Å; Y356-M409 HydrophobicContact CG-CE 4.32Å
357	M	94.4	Very high	93	Very high	23 Å²	23	65.6 Å²	65.6	11%	0.113	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	137	168.2	-68.6	-64.1	-70.4	0	0	111.6	W364 R365 H406 L408 A410	M357-W364 HydrophobicContact CB-CE3 3.86Å; M357-W364 HydrophobicContact CB-CZ3 4.09Å; M357-W364 HydrophobicContact CE-CB 3.64Å; M357-R365 CarbonylContact C-O 3.35Å; M357-R365 WeakPolarHBondContact CA-O 3.12Å; M357-R365 VanDerWaalsContact SD-C 3.57Å; M357-H406 PolarHBondContact O-CD2 2.88Å; M357-L408 HydrophobicContact CB-CB 4.19Å; M357-L408 HydrophobicContact CB-CD2 3.96Å; M357-L408 HydrophobicContact CB-CG 3.94Å; M357-L408 HydrophobicContact CG-CD2 3.93Å; M357-L408 HydrophobicContact CG-CG 3.83Å; M357-L408 PolarHBondContact N-O 3.35Å; M357-A410 VanDerWaalsContact CG-CA 3.48Å; M357-A410 HydrophobicContact CG-CB 3.83Å; M357-A410 WeakPolarHBondContact SD-CA 3.48Å; M357-A410 HydrophobicContact SD-CB 3.36Å; M357-A410 WeakPolarHBondContact SD-CB 3.43Å
358	E	91.6	Very high	92.9	Very high	64 Å²	64	69.1 Å²	69.1	30%	0.299	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	155.2	169.9	-172.5	172.8	-140.7	0	0	110.6	W364 R365 Y367 H406	E358-W364 WeakPolarHBondContact O-CA 3.29Å; E358-R365 PolarHBondContact N-O 3.35Å; E358-R365 PolarHBondContact O-N 3.15Å; E358-Y367 HydrophobicContact CB-CD2 4.07Å; E358-Y367 WeakPolarHBondContact OE2-CD2 3.41Å; E358-H406 IonicContact OE1-NE2 3.83Å
359	V	87.1	Confident	92.7	Very high	75 Å²	75	71 Å²	71	46%	0.455	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.4	167.6	-179.2	0	0	0	0	109.3	K363 W364	V359-K363 WeakPolarHBondContact CA-O 3.37Å; V359-W364 HydrophobicContact CG2-CD2 3.52Å; V359-W364 VanDerWaalsContact CG2-CE2 3.41Å; V359-W364 HydrophobicContact CG2-CE3 3.64Å; V359-W364 HydrophobicContact CG2-CG 4.25Å; V359-W364 HydrophobicContact CG2-CH2 3.7Å; V359-W364 HydrophobicContact CG2-CZ2 3.53Å; V359-W364 HydrophobicContact CG2-CZ3 3.73Å
360	Q	83.1	Confident	92.7	Very high	91 Å²	91	76.3 Å²	76.3	43%	0.425	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.8	176.6	-176.1	-179.9	70.1	0	0	109.5	S362 K363	Q360-S362 VanDerWaalsContact C-N 3.27Å; Q360-S362 PolarHBondContact O-N 2.86Å; Q360-K363 PolarHBondContact N-O 2.79Å; Q360-K363 WeakPolarHBondContact O-CA 3.43Å; Q360-K363 PolarHBondContact O-N 3.37Å
361	D	83.3	Confident	92.7	Very high	134 Å²	134	71.4 Å²	71.4	72%	0.717	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	43.1	-176.7	-50.6	-38.9	0	0	0	113.4	K363	D361-K363 PolarHBondContact O-N 2.9Å; D361-K363 VanDerWaalsContact O-N 3.15Å
362	S	82.1	Confident	92.7	Very high	118 Å²	118	72.1 Å²	72.1	83%	0.825	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	18.8	-173.9	-57.8	0	0	0	0	115	Q360	Q360-S362 VanDerWaalsContact C-N 3.27Å; Q360-S362 PolarHBondContact O-N 2.86Å
363	K	85.7	Confident	92.6	Very high	117 Å²	117	78.6 Å²	78.6	51%	0.509	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.1	175	-66.1	-176.7	179	-176.8	0	110.9	V359 Q360 D361	V359-K363 WeakPolarHBondContact CA-O 3.37Å; Q360-K363 PolarHBondContact N-O 2.79Å; Q360-K363 WeakPolarHBondContact O-CA 3.43Å; Q360-K363 PolarHBondContact O-N 3.37Å; D361-K363 PolarHBondContact O-N 2.9Å; D361-K363 VanDerWaalsContact O-N 3.15Å
364	W	88.9	Confident	92.6	Very high	56 Å²	56	73.9 Å²	73.9	21%	0.212	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	130.1	174.4	-72.7	94.1	0	0	0	110.7	Q254 M357 E358 V359 L408	Q254-W364 HydrophobicContact CB-CZ2 3.75Å; Q254-W364 PolarHBondContact O-NE1 3.37Å; M357-W364 HydrophobicContact CB-CE3 3.86Å; M357-W364 HydrophobicContact CB-CZ3 4.09Å; M357-W364 HydrophobicContact CE-CB 3.64Å; E358-W364 WeakPolarHBondContact O-CA 3.29Å; V359-W364 HydrophobicContact CG2-CD2 3.52Å; V359-W364 VanDerWaalsContact CG2-CE2 3.41Å; V359-W364 HydrophobicContact CG2-CE3 3.64Å; V359-W364 HydrophobicContact CG2-CG 4.25Å; V359-W364 HydrophobicContact CG2-CH2 3.7Å; V359-W364 HydrophobicContact CG2-CZ2 3.53Å; V359-W364 HydrophobicContact CG2-CZ3 3.73Å; W364-L408 HydrophobicContact CE3-CD2 4.25Å; W364-L408 HydrophobicContact CH2-CD2 4.49Å; W364-L408 HydrophobicContact CZ3-CD2 4.09Å
365	R	91.4	Very high	92.6	Very high	121 Å²	121	76.2 Å²	76.2	46%	0.457	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161	178.4	-60	-177.2	-171.2	-114.4	15.3	111	M357 E358	M357-R365 CarbonylContact C-O 3.35Å; M357-R365 WeakPolarHBondContact CA-O 3.12Å; M357-R365 VanDerWaalsContact SD-C 3.57Å; E358-R365 PolarHBondContact N-O 3.35Å; E358-R365 PolarHBondContact O-N 3.15Å
366	E	94.8	Very high	92.6	Very high	103 Å²	103	74.8 Å²	74.8	48%	0.481	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.8	168.1	-174.8	172.2	137	0	0	110.5	P355 T368 A410	P355-E366 HydrophobicContact CB-CG 3.73Å; P355-E366 VanDerWaalsContact CG-CD 3.44Å; P355-E366 HydrophobicContact CG-CG 3.95Å; P355-E366 VanDerWaalsContact CG-OE1 3.3Å; P355-E366 WeakPolarHBondContact CG-OE1 3.3Å; E366-T368 PolarHBondContact O-N 2.91Å; E366-A410 HydrophobicContact CB-CB 3.99Å; E366-A410 HydrophobicContact CG-CB 3.75Å
367	Y	95.6	Very high	92.6	Very high	44 Å²	44	75 Å²	75	17%	0.173	38%	0.383	C	S	.	.			trans	-79	112.7	176.5	-179	-94.9	0	0	0	110.6	Y356 E358 G369 K370 V371 F402 H406	Y356-Y367 WeakPolarHBondContact O-CB 3.44Å; Y356-Y367 PolarHBondContact O-N 3.04Å; E358-Y367 HydrophobicContact CB-CD2 4.07Å; E358-Y367 WeakPolarHBondContact OE2-CD2 3.41Å; Y367-G369 VanDerWaalsContact CE1-CA 3.49Å; Y367-G369 VanDerWaalsContact CE1-O 3.26Å; Y367-G369 WeakPolarHBondContact CE1-O 3.39Å; Y367-G369 VanDerWaalsContact CZ-CA 3.47Å; Y367-K370 PolarHBondContact OH-N 2.89Å; Y367-K370 PolarHBondContact OH-O 2.95Å; Y367-V371 HydrophobicContact CD1-CG2 4.35Å; Y367-V371 HydrophobicContact CE1-CG2 4.23Å; Y367-F402 HydrophobicContact CD1-CE2 4.11Å; Y367-F402 AromaticContact CD1-CZ 3.75Å; Y367-F402 HydrophobicContact CD1-CZ 3.75Å; Y367-F402 AromaticContact CE1-CE2 3.55Å; Y367-F402 HydrophobicContact CE1-CE2 3.55Å; Y367-F402 AromaticContact CE1-CZ 3.67Å; Y367-F402 HydrophobicContact CE1-CZ 3.67Å; Y367-F402 HydrophobicContact CE2-CE2 4.2Å; Y367-F402 HydrophobicContact CG-CZ 4.25Å; Y367-F402 AromaticContact CZ-CE2 3.61Å; Y367-H406 AromaticContact CD2-NE2 3.82Å
368	T	95.2	Very high	92.7	Very high	129 Å²	129	75.1 Å²	75.1	79%	0.791	39%	0.386	S	S	*	.			trans	-105.4	5.6	-178.5	55.2	0	0	0	0	113.9	E366	E366-T368 PolarHBondContact O-N 2.91Å
369	G	94.1	Very high	93	Very high	41 Å²	41	72.2 Å²	72.2	42%	0.423	37%	0.373	S	S	.	.	S	Bend	trans	-80.4	-173.7	178.2	0	0	0	0	0	113.9	Y367 V371	Y367-G369 VanDerWaalsContact CE1-CA 3.49Å; Y367-G369 VanDerWaalsContact CE1-O 3.26Å; Y367-G369 WeakPolarHBondContact CE1-O 3.39Å; Y367-G369 VanDerWaalsContact CZ-CA 3.47Å; G369-V371 PolarHBondContact O-N 2.82Å
370	K	95.9	Very high	93.5	Very high	188 Å²	188	69.6 Å²	69.6	82%	0.817	36%	0.356	S	S	*	.			trans	-78.4	109.1	177.8	-175.1	178.4	179.2	-178.3	0	111.1	Y367	Y367-K370 PolarHBondContact OH-N 2.89Å; Y367-K370 PolarHBondContact OH-O 2.95Å
371	V	97.9	Very high	94.1	Very high	39 Å²	39	65.9 Å²	65.9	24%	0.236	34%	0.34	C	S	.	.			trans	-61.9	134.7	165.6	-176.6	0	0	0	0	109.3	Y356 Y367 G369 P376 F402	Y356-V371 HydrophobicContact CD2-CG2 4.17Å; Y356-V371 HydrophobicContact CE2-CG1 3.87Å; Y356-V371 HydrophobicContact CE2-CG2 3.89Å; Y367-V371 HydrophobicContact CD1-CG2 4.35Å; Y367-V371 HydrophobicContact CE1-CG2 4.23Å; G369-V371 PolarHBondContact O-N 2.82Å; V371-P376 HydrophobicContact CG1-CG 4.35Å; V371-F402 HydrophobicContact CG2-CZ 4.36Å
372	P	97.8	Very high	94.7	Very high	25 Å²	25	63.6 Å²	63.6	16%	0.162	33%	0.327	C	S	.	.			trans	-77.8	163	175.7	33.4	-36.1	0	0	0	111.7	P376 V399 F402	P372-P376 HydrophobicContact CG-CG 3.66Å; P372-P376 WeakPolarHBondContact O-CD 3.04Å; P372-V399 HydrophobicContact CB-CG2 4.05Å; P372-V399 HydrophobicContact CG-CG2 4.19Å; P372-F402 HydrophobicContact CG-CB 3.86Å; P372-F402 HydrophobicContact CG-CD2 4.1Å; P372-F402 HydrophobicContact CG-CG 4.03Å
373	E	96.1	Very high	95.3	Very high	136 Å²	136	61.7 Å²	61.7	64%	0.636	31%	0.311	S	S	*	.	S	Bend	trans	-116.9	144.2	175.6	-67.8	-59.9	160.7	0	0	111.8	R375 V399	E373-R375 PolarHBondContact OE2-N 2.88Å; E373-V399 WeakPolarHBondContact O-CG2 3.41Å
374	P	96.6	Very high	95.9	Very high	7 Å²	7	57.2 Å²	57.2	5%	0.045	29%	0.292	C	S	.	.	S	Bend	cis	-60.2	145.5	-7.6	-25.4	36.1	0	0	0	114	P376 I389 L395 V399	P374-P376 WeakPolarHBondContact O-CD 3.47Å; P374-I389 HydrophobicContact CG-CD1 3.57Å; P374-L395 HydrophobicContact CB-CD2 4.3Å; P374-L395 HydrophobicContact CG-CD2 4.16Å; P374-V399 WeakPolarHBondContact O-CG1 3.45Å; P374-V399 VanDerWaalsContact O-CG2 3.3Å; P374-V399 WeakPolarHBondContact O-CG2 3.04Å
375	R	97.6	Very high	96.2	Very high	59 Å²	59	58.9 Å²	58.9	22%	0.223	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-47	120.1	-177	-179.6	179.5	164.5	88.2	8.2	113.2	F352 E353 G354 Y356 E373 G377 S378	F352-R375 PolarHBondContact O-NH2 2.84Å; E353-R375 VanDerWaalsContact O-CZ 3.28Å; E353-R375 PolarHBondContact O-NH1 3.03Å; E353-R375 PolarHBondContact O-NH2 2.9Å; G354-R375 PolarHBondContact O-NH1 3.07Å; G354-R375 PolarHBondContact O-NH2 3.03Å; Y356-R375 VanDerWaalsContact OH-CG 3.26Å; Y356-R375 WeakPolarHBondContact OH-CG 3.39Å; Y356-R375 VanDerWaalsContact OH-CZ 3.29Å; Y356-R375 PolarHBondContact OH-NE 2.92Å; Y356-R375 PolarHBondContact OH-NH2 2.87Å; E373-R375 PolarHBondContact OE2-N 2.88Å; R375-G377 PolarHBondContact O-N 3.47Å; R375-S378 WeakPolarHBondContact O-CB 3.48Å; R375-S378 PolarHBondContact O-N 2.67Å; R375-S378 PolarHBondContact O-OG 3.34Å; R375-S378 VanDerWaalsContact O-OG 3.06Å
376	P	98.4	Very high	96.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	124.5	176.2	-29.7	35.7	0	0	0	113.3	Y356 V371 P372 P374 V399 F402 A403	Y356-P376 PolarHBondContact OH-O 2.8Å; V371-P376 HydrophobicContact CG1-CG 4.35Å; P372-P376 HydrophobicContact CG-CG 3.66Å; P372-P376 WeakPolarHBondContact O-CD 3.04Å; P374-P376 WeakPolarHBondContact O-CD 3.47Å; P376-V399 HydrophobicContact CB-CG1 4.45Å; P376-V399 HydrophobicContact CG-CG1 4.1Å; P376-F402 HydrophobicContact CB-CB 4.49Å; P376-F402 HydrophobicContact CB-CD1 3.72Å; P376-F402 HydrophobicContact CB-CE1 4.45Å; P376-F402 HydrophobicContact CB-CG 4.45Å; P376-F402 HydrophobicContact CG-CB 3.87Å; P376-F402 HydrophobicContact CG-CD1 3.47Å; P376-F402 VanDerWaalsContact CG-CD1 3.47Å; P376-F402 HydrophobicContact CG-CE1 4.22Å; P376-F402 HydrophobicContact CG-CG 3.83Å; P376-A403 HydrophobicContact CB-CB 4.16Å
377	G	96.9	Very high	96.5	Very high	4 Å²	4	59.1 Å²	59.1	4%	0.041	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	9.5	-178.7	0	0	0	0	0	115.8	R270 R375	R270-G377 PolarHBondContact NH2-O 2.84Å; R375-G377 PolarHBondContact O-N 3.47Å
378	S	96.8	Very high	96.5	Very high	26 Å²	26	59.2 Å²	59.2	18%	0.182	33%	0.329	C	S	.	.			trans	-83.4	158.9	162.9	72.9	0	0	0	0	111.6	R375	R375-S378 WeakPolarHBondContact O-CB 3.48Å; R375-S378 PolarHBondContact O-N 2.67Å; R375-S378 PolarHBondContact O-OG 3.34Å; R375-S378 VanDerWaalsContact O-OG 3.06Å
379	C	97.4	Very high	96.6	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.02	30%	0.296	C	S	.	.			trans	-78.6	177.8	167.6	-44.8	0	0	0	0	111	D241 D242 K244 C272 H384	D241-C379 WeakPolarHBondContact OD1-CB 3.28Å; D242-C379 HydrophobicContact CB-CB 3.58Å; K244-C379 WeakPolarHBondContact CE-SG 3.5Å; C272-C379 HydrophobicContact CB-CB 3.83Å; C272-C379 WeakPolarHBondContact CB-SG 3.44Å; C272-C379 WeakPolarHBondContact SG-CA 3.36Å; C272-C379 WeakPolarHBondContact SG-CB 3.46Å; C272-C379 PolarHBondContact SG-N 3.4Å; C272-C379 VanDerWaalsContact SG-N 3.42Å; C272-C379 CovalentContact SG-SG 2.02Å; C272-C379 PolarHBondContact SG-SG 2.88Å; C379-H384 PolarHBondContact O-CE1 3.24Å; C379-H384 PolarHBondContact O-ND1 2.97Å; C379-H384 VanDerWaalsContact O-ND1 3.14Å
380	I	97.4	Very high	96.7	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.108	30%	0.303	C	S	.	.			trans	-85	120.1	174	-54.2	-50.1	0	0	0	108.6	H384 R385 I389 L395	I380-H384 HydrophobicContact CG2-CB 4.01Å; I380-R385 HydrophobicContact CG2-CG 4.04Å; I380-R385 PolarHBondContact O-NH2 3.24Å; I380-I389 HydrophobicContact CD1-CG2 3.92Å; I380-I389 VanDerWaalsContact CG2-O 3.22Å; I380-I389 WeakPolarHBondContact CG2-O 3.36Å; I380-L395 HydrophobicContact CD1-CD1 4.49Å; I380-L395 HydrophobicContact CD1-CD2 4.07Å; I380-L395 HydrophobicContact CD1-CG 4.3Å
381	T	96.4	Very high	96.7	Very high	13 Å²	13	49.5 Å²	49.5	8%	0.08	27%	0.274	C	S	.	.			trans	-107	171.9	-178.4	61.8	0	0	0	0	110.5	I239 V383 H384 R385	I239-T381 HydrophobicContact CD1-CG2 4.17Å; I239-T381 HydrophobicContact CG1-CG2 4.4Å; I239-T381 VanDerWaalsContact O-CB 3.31Å; I239-T381 WeakPolarHBondContact O-CB 3.31Å; T381-V383 PolarHBondContact O-N 3.21Å; T381-H384 PolarHBondContact N-ND1 2.7Å; T381-H384 WeakPolarHBondContact O-CA 3.49Å; T381-H384 WeakPolarHBondContact O-CB 3.36Å; T381-H384 PolarHBondContact O-N 3.02Å; T381-H384 PolarHBondContact OG1-CD2 2.97Å; T381-H384 PolarHBondContact OG1-CE1 2.74Å; T381-H384 VanDerWaalsContact OG1-CG 3.28Å; T381-H384 PolarHBondContact OG1-N 2.03Å; T381-H384 PolarHBondContact OG1-ND1 3.09Å; T381-H384 PolarHBondContact OG1-NE2 2.72Å; T381-R385 WeakPolarHBondContact O-CG 3.37Å; T381-R385 PolarHBondContact O-N 2.9Å
382	D	95.9	Very high	96.7	Very high	85 Å²	85	47.8 Å²	47.8	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-27.7	176.3	-64.7	-33.2	0	0	0	113.1	I239 G240 R385 S386	I239-D382 PolarHBondContact O-N 3.15Å; G240-D382 VanDerWaalsContact CA-OD2 3.3Å; G240-D382 WeakPolarHBondContact CA-OD2 3.14Å; G240-D382 PolarHBondContact N-OD2 2.86Å; D382-R385 PolarHBondContact O-N 2.79Å; D382-R385 IonicContact OD1-CZ 3.71Å; D382-R385 IonicContact OD1-NH1 2.71Å; D382-R385 PolarHBondContact OD1-NH1 2.83Å; D382-S386 WeakPolarHBondContact O-CB 3.45Å; D382-S386 PolarHBondContact O-N 3.41Å; D382-S386 PolarHBondContact O-OG 3.2Å
383	V	95.4	Very high	96.6	Very high	79 Å²	79	51.1 Å²	51.1	48%	0.479	27%	0.273	S	S	.	.	H	α-helix	trans	-66.8	-37.8	171.2	180	0	0	0	0	111.1	T381 S386 Q387	T381-V383 PolarHBondContact O-N 3.21Å; V383-S386 PolarHBondContact O-OG 2.95Å; V383-S386 VanDerWaalsContact O-OG 3.08Å; V383-Q387 WeakPolarHBondContact O-CG 3.47Å; V383-Q387 PolarHBondContact O-N 3.46Å
384	H	96.5	Very high	96.7	Very high	23 Å²	23	48.3 Å²	48.3	11%	0.106	26%	0.262	C	S	.	.	H	α-helix	trans	-71.8	-40.9	176	-55.5	160.9	0	0	0	110.7	C379 I380 T381 S386 Q387 G388 I389	C379-H384 PolarHBondContact O-CE1 3.24Å; C379-H384 PolarHBondContact O-ND1 2.97Å; C379-H384 VanDerWaalsContact O-ND1 3.14Å; I380-H384 HydrophobicContact CG2-CB 4.01Å; T381-H384 PolarHBondContact N-ND1 2.7Å; T381-H384 WeakPolarHBondContact O-CA 3.49Å; T381-H384 WeakPolarHBondContact O-CB 3.36Å; T381-H384 PolarHBondContact O-N 3.02Å; T381-H384 PolarHBondContact OG1-CD2 2.97Å; T381-H384 PolarHBondContact OG1-CE1 2.74Å; T381-H384 VanDerWaalsContact OG1-CG 3.28Å; T381-H384 PolarHBondContact OG1-N 2.03Å; T381-H384 PolarHBondContact OG1-ND1 3.09Å; T381-H384 PolarHBondContact OG1-NE2 2.72Å; H384-S386 PolarHBondContact O-N 2.88Å; H384-Q387 CarbonylContact O-C 3.53Å; H384-Q387 PolarHBondContact O-N 3.29Å; H384-Q387 VanDerWaalsContact O-N 3.11Å; H384-G388 PolarHBondContact O-N 2.87Å; H384-I389 CarbonylContact C-O 3.51Å; H384-I389 VanDerWaalsContact C-O 3.27Å; H384-I389 HydrophobicContact CB-CB 4.23Å; H384-I389 HydrophobicContact CB-CG2 4.43Å; H384-I389 WeakPolarHBondContact O-CB 3.42Å; H384-I389 PolarHBondContact O-N 2.71Å
385	R	96.3	Very high	96.8	Very high	91 Å²	91	48.7 Å²	48.7	34%	0.343	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-43.8	175.7	-65.7	171.6	-171.5	109.7	11.9	112.1	G240 I380 T381 D382 Q387 G388 I389	G240-R385 PolarHBondContact O-NH1 2.75Å; G240-R385 PolarHBondContact O-NH2 2.99Å; I380-R385 HydrophobicContact CG2-CG 4.04Å; I380-R385 PolarHBondContact O-NH2 3.24Å; T381-R385 WeakPolarHBondContact O-CG 3.37Å; T381-R385 PolarHBondContact O-N 2.9Å; D382-R385 PolarHBondContact O-N 2.79Å; D382-R385 IonicContact OD1-CZ 3.71Å; D382-R385 IonicContact OD1-NH1 2.71Å; D382-R385 PolarHBondContact OD1-NH1 2.83Å; R385-Q387 PolarHBondContact O-N 3.4Å; R385-G388 PolarHBondContact O-N 2.84Å; R385-I389 WeakPolarHBondContact CA-O 3.48Å; R385-I389 PolarHBondContact N-O 2.75Å
386	S	96.3	Very high	96.8	Very high	99 Å²	99	48.2 Å²	48.2	69%	0.692	27%	0.269	S	S	*	.	H	α-helix	trans	-67.7	-17	177.3	70.6	0	0	0	0	114	D382 V383 H384	D382-S386 WeakPolarHBondContact O-CB 3.45Å; D382-S386 PolarHBondContact O-N 3.41Å; D382-S386 PolarHBondContact O-OG 3.2Å; V383-S386 PolarHBondContact O-OG 2.95Å; V383-S386 VanDerWaalsContact O-OG 3.08Å; H384-S386 PolarHBondContact O-N 2.88Å
387	Q	95.7	Very high	96.7	Very high	129 Å²	129	50.9 Å²	50.9	60%	0.603	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	5.5	171	-65.6	172.6	6	0	0	113.1	V383 H384 R385	V383-Q387 WeakPolarHBondContact O-CG 3.47Å; V383-Q387 PolarHBondContact O-N 3.46Å; H384-Q387 CarbonylContact O-C 3.53Å; H384-Q387 PolarHBondContact O-N 3.29Å; H384-Q387 VanDerWaalsContact O-N 3.11Å; R385-Q387 PolarHBondContact O-N 3.4Å
388	G	96.3	Very high	96.7	Very high	46 Å²	46	54.1 Å²	54.1	47%	0.474	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	2.7	179.8	0	0	0	0	0	115.2	H384 R385 N390	H384-G388 PolarHBondContact O-N 2.87Å; R385-G388 PolarHBondContact O-N 2.84Å; G388-N390 PolarHBondContact O-N 3.24Å; G388-N390 PolarHBondContact O-ND2 3.06Å
389	I	97.3	Very high	96.7	Very high	18 Å²	18	53 Å²	53	9%	0.092	30%	0.297	C	S	.	.			trans	-90.7	95.1	177	-58	175.8	0	0	0	107.8	P374 I380 H384 R385 D394 L395	P374-I389 HydrophobicContact CG-CD1 3.57Å; I380-I389 HydrophobicContact CD1-CG2 3.92Å; I380-I389 VanDerWaalsContact CG2-O 3.22Å; I380-I389 WeakPolarHBondContact CG2-O 3.36Å; H384-I389 CarbonylContact C-O 3.51Å; H384-I389 VanDerWaalsContact C-O 3.27Å; H384-I389 HydrophobicContact CB-CB 4.23Å; H384-I389 HydrophobicContact CB-CG2 4.43Å; H384-I389 WeakPolarHBondContact O-CB 3.42Å; H384-I389 PolarHBondContact O-N 2.71Å; R385-I389 WeakPolarHBondContact CA-O 3.48Å; R385-I389 PolarHBondContact N-O 2.75Å; I389-D394 HydrophobicContact CB-CB 4.37Å; I389-D394 HydrophobicContact CG2-CB 4.05Å; I389-L395 HydrophobicContact CG2-CD2 3.93Å; I389-L395 HydrophobicContact CG2-CG 4.38Å
390	N	96.1	Very high	96.8	Very high	108 Å²	108	53 Å²	53	58%	0.578	30%	0.297	S	S	*	.			trans	-94.7	-25.3	-175.3	-66.7	-73.9	0	0	0	112.4	G388 D394	G388-N390 PolarHBondContact O-N 3.24Å; G388-N390 PolarHBondContact O-ND2 3.06Å; N390-D394 WeakPolarHBondContact CA-OD2 3.37Å; N390-D394 PolarHBondContact N-OD2 3.05Å
391	S	95.9	Very high	96.7	Very high	28 Å²	28	54.6 Å²	54.6	20%	0.196	31%	0.308	C	S	.	.	S	Bend	trans	-137.1	163.5	-178.9	-173.3	0	0	0	0	111.4	R393 D394	S391-R393 PolarHBondContact O-N 2.96Å; S391-R393 VanDerWaalsContact O-N 3.07Å; S391-D394 PolarHBondContact N-OD2 3.36Å; S391-D394 PolarHBondContact O-N 2.66Å
392	S	97.2	Very high	96.8	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.021	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57	-20.8	170.3	61.1	0	0	0	0	113.5	D275 W276 G277 T287 D394 L395	D275-S392 PolarHBondContact OD1-OG 2.84Å; W276-S392 WeakPolarHBondContact CA-OG 3.48Å; W276-S392 WeakPolarHBondContact CB-OG 3.27Å; W276-S392 PolarHBondContact N-OG 2.91Å; G277-S392 PolarHBondContact N-OG 3.08Å; G277-S392 CarbonylContact O-C 3.59Å; G277-S392 PolarHBondContact O-OG 3.2Å; T287-S392 WeakPolarHBondContact OG1-CB 3.39Å; S392-D394 VanDerWaalsContact C-N 3.32Å; S392-L395 WeakPolarHBondContact O-CB 3.33Å
393	R	96.8	Very high	96.8	Very high	96 Å²	96	50.9 Å²	50.9	36%	0.362	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-71.1	-26.2	175.5	-68.7	-175.4	-177.1	174.4	4.7	113.4	W276 G277 Q279 S391 L395	W276-R393 HydrophobicContact CB-CG 4.26Å; W276-R393 PolarHBondContact O-NE 3.38Å; G277-R393 VanDerWaalsContact O-CG 3.24Å; G277-R393 WeakPolarHBondContact O-CG 3.38Å; G277-R393 PolarHBondContact O-N 3.36Å; Q279-R393 HydrophobicContact CB-CB 4.18Å; Q279-R393 VanDerWaalsContact CB-O 3.27Å; Q279-R393 WeakPolarHBondContact CB-O 3.34Å; S391-R393 PolarHBondContact O-N 2.96Å; S391-R393 VanDerWaalsContact O-N 3.07Å; R393-L395 VanDerWaalsContact C-N 3.29Å
394	D	97.6	Very high	96.9	Very high	77 Å²	77	51.4 Å²	51.4	41%	0.412	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-86.1	-5.3	-178.8	-47.7	-37.1	0	0	0	111.8	I389 N390 S391 S392	I389-D394 HydrophobicContact CB-CB 4.37Å; I389-D394 HydrophobicContact CG2-CB 4.05Å; N390-D394 WeakPolarHBondContact CA-OD2 3.37Å; N390-D394 PolarHBondContact N-OD2 3.05Å; S391-D394 PolarHBondContact N-OD2 3.36Å; S391-D394 PolarHBondContact O-N 2.66Å; S392-D394 VanDerWaalsContact C-N 3.32Å
395	L	98.1	Very high	96.8	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.079	31%	0.305	C	S	.	.	S	Bend	trans	-64.7	137.6	178.2	-70.8	172.7	0	0	0	111.6	P374 I380 I389 S392 R393 L400	P374-L395 HydrophobicContact CB-CD2 4.3Å; P374-L395 HydrophobicContact CG-CD2 4.16Å; I380-L395 HydrophobicContact CD1-CD1 4.49Å; I380-L395 HydrophobicContact CD1-CD2 4.07Å; I380-L395 HydrophobicContact CD1-CG 4.3Å; I389-L395 HydrophobicContact CG2-CD2 3.93Å; I389-L395 HydrophobicContact CG2-CG 4.38Å; S392-L395 WeakPolarHBondContact O-CB 3.33Å; R393-L395 VanDerWaalsContact C-N 3.29Å; L395-L400 HydrophobicContact CB-CD1 4.41Å; L395-L400 HydrophobicContact CB-CD2 3.93Å; L395-L400 HydrophobicContact CB-CG 4.08Å; L395-L400 HydrophobicContact CD1-CD2 4Å
396	P	97.5	Very high	96.7	Very high	49 Å²	49	54.2 Å²	54.2	32%	0.318	29%	0.29	S	S	.	.			trans	-57.1	140.1	176.6	-26.5	34.8	0	0	0	113.4	S398 V399 L400	P396-S398 WeakPolarHBondContact CB-OG 3.4Å; P396-S398 PolarHBondContact O-N 2.98Å; P396-V399 HydrophobicContact CB-CG2 4.25Å; P396-V399 HydrophobicContact CG-CG2 4.31Å; P396-V399 WeakPolarHBondContact O-CB 3.26Å; P396-V399 PolarHBondContact O-N 3.4Å; P396-L400 PolarHBondContact O-N 3.26Å; P396-L400 VanDerWaalsContact O-N 3.1Å
397	D	96.2	Very high	96.7	Very high	56 Å²	56	49.9 Å²	49.9	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-56.1	-23	176.4	-86.9	-51.8	0	0	0	112.9	R280 T281 T401	R280-D397 WeakPolarHBondContact CD-OD2 3.08Å; R280-D397 IonicContact NH1-OD2 3.59Å; T281-D397 VanDerWaalsContact CB-OD1 3.23Å; T281-D397 WeakPolarHBondContact CB-OD1 3.42Å; T281-D397 PolarHBondContact N-OD1 2.93Å; T281-D397 VanDerWaalsContact N-OD1 3.16Å; T281-D397 PolarHBondContact OG1-OD1 2.83Å; D397-T401 WeakPolarHBondContact O-CB 3.48Å; D397-T401 PolarHBondContact O-N 2.86Å; D397-T401 PolarHBondContact O-OG1 2.86Å
398	S	96.8	Very high	96.8	Very high	72 Å²	72	43.7 Å²	43.7	50%	0.503	23%	0.231	S	C	.	.	H	α-helix	trans	-67.5	-45.6	171.8	51.5	0	0	0	0	113	P396 T401 F402	P396-S398 WeakPolarHBondContact CB-OG 3.4Å; P396-S398 PolarHBondContact O-N 2.98Å; S398-T401 PolarHBondContact O-N 2.9Å; S398-F402 WeakPolarHBondContact O-CB 3.48Å; S398-F402 PolarHBondContact O-N 3.19Å
399	V	98.3	Very high	96.9	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-46.8	174.7	174.2	0	0	0	0	109.9	P372 E373 P374 P376 P396 F402 A403	P372-V399 HydrophobicContact CB-CG2 4.05Å; P372-V399 HydrophobicContact CG-CG2 4.19Å; E373-V399 WeakPolarHBondContact O-CG2 3.41Å; P374-V399 WeakPolarHBondContact O-CG1 3.45Å; P374-V399 VanDerWaalsContact O-CG2 3.3Å; P374-V399 WeakPolarHBondContact O-CG2 3.04Å; P376-V399 HydrophobicContact CB-CG1 4.45Å; P376-V399 HydrophobicContact CG-CG1 4.1Å; P396-V399 HydrophobicContact CB-CG2 4.25Å; P396-V399 HydrophobicContact CG-CG2 4.31Å; P396-V399 WeakPolarHBondContact O-CB 3.26Å; P396-V399 PolarHBondContact O-N 3.4Å; V399-F402 WeakPolarHBondContact O-CB 3.34Å; V399-F402 PolarHBondContact O-N 3.46Å; V399-A403 PolarHBondContact O-N 3.37Å
400	L	98	Very high	96.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-66	-39.2	179.5	-60.7	176.9	0	0	0	112.4	T281 L282 T287 L395 P396 F402 R404	T281-L400 HydrophobicContact CG2-CB 3.68Å; L282-L400 HydrophobicContact CD1-CB 4.34Å; L282-L400 HydrophobicContact CD1-CD2 4.41Å; L282-L400 WeakPolarHBondContact CD1-O 3.39Å; T287-L400 HydrophobicContact CG2-CD2 3.42Å; T287-L400 VanDerWaalsContact CG2-CD2 3.42Å; L395-L400 HydrophobicContact CB-CD1 4.41Å; L395-L400 HydrophobicContact CB-CD2 3.93Å; L395-L400 HydrophobicContact CB-CG 4.08Å; L395-L400 HydrophobicContact CD1-CD2 4Å; P396-L400 PolarHBondContact O-N 3.26Å; P396-L400 VanDerWaalsContact O-N 3.1Å; L400-F402 VanDerWaalsContact C-N 3.34Å; L400-R404 WeakPolarHBondContact O-CB 3.22Å; L400-R404 PolarHBondContact O-N 3.28Å
401	T	96.4	Very high	96.8	Very high	54 Å²	54	42.1 Å²	42.1	33%	0.331	21%	0.209	S	C	.	.	H	α-helix	trans	-66.9	-36.4	174.7	-63.7	0	0	0	0	111.6	D397 S398 R405	D397-T401 WeakPolarHBondContact O-CB 3.48Å; D397-T401 PolarHBondContact O-N 2.86Å; D397-T401 PolarHBondContact O-OG1 2.86Å; S398-T401 PolarHBondContact O-N 2.9Å; T401-R405 WeakPolarHBondContact O-CG 3.32Å; T401-R405 PolarHBondContact O-N 3.34Å
402	F	97.6	Very high	96.9	Very high	17 Å²	17	44 Å²	44	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-51.8	174.3	-167.5	-75.2	0	0	0	111	Y356 Y367 V371 P372 P376 S398 V399 L400 R404 R405 H406	Y356-F402 HydrophobicContact CD1-CE1 4.21Å; Y356-F402 AromaticContact CD2-CE1 3.71Å; Y356-F402 HydrophobicContact CD2-CE1 3.71Å; Y356-F402 AromaticContact CD2-CZ 3.99Å; Y356-F402 HydrophobicContact CD2-CZ 3.99Å; Y356-F402 HydrophobicContact CE1-CE1 4.35Å; Y356-F402 AromaticContact CE2-CE1 3.89Å; Y356-F402 HydrophobicContact CE2-CE1 3.89Å; Y356-F402 HydrophobicContact CE2-CZ 4.36Å; Y356-F402 AromaticContact CG-CE1 3.89Å; Y356-F402 HydrophobicContact CG-CE1 3.89Å; Y356-F402 HydrophobicContact CG-CZ 4.41Å; Y367-F402 HydrophobicContact CD1-CE2 4.11Å; Y367-F402 AromaticContact CD1-CZ 3.75Å; Y367-F402 HydrophobicContact CD1-CZ 3.75Å; Y367-F402 AromaticContact CE1-CE2 3.55Å; Y367-F402 HydrophobicContact CE1-CE2 3.55Å; Y367-F402 AromaticContact CE1-CZ 3.67Å; Y367-F402 HydrophobicContact CE1-CZ 3.67Å; Y367-F402 HydrophobicContact CE2-CE2 4.2Å; Y367-F402 HydrophobicContact CG-CZ 4.25Å; Y367-F402 AromaticContact CZ-CE2 3.61Å; V371-F402 HydrophobicContact CG2-CZ 4.36Å; P372-F402 HydrophobicContact CG-CB 3.86Å; P372-F402 HydrophobicContact CG-CD2 4.1Å; P372-F402 HydrophobicContact CG-CG 4.03Å; P376-F402 HydrophobicContact CB-CB 4.49Å; P376-F402 HydrophobicContact CB-CD1 3.72Å; P376-F402 HydrophobicContact CB-CE1 4.45Å; P376-F402 HydrophobicContact CB-CG 4.45Å; P376-F402 HydrophobicContact CG-CB 3.87Å; P376-F402 HydrophobicContact CG-CD1 3.47Å; P376-F402 VanDerWaalsContact CG-CD1 3.47Å; P376-F402 HydrophobicContact CG-CE1 4.22Å; P376-F402 HydrophobicContact CG-CG 3.83Å; S398-F402 WeakPolarHBondContact O-CB 3.48Å; S398-F402 PolarHBondContact O-N 3.19Å; V399-F402 WeakPolarHBondContact O-CB 3.34Å; V399-F402 PolarHBondContact O-N 3.46Å; L400-F402 VanDerWaalsContact C-N 3.34Å; F402-R404 VanDerWaalsContact C-N 3.27Å; F402-R404 PolarHBondContact O-N 2.84Å; F402-R405 PolarHBondContact O-N 3.06Å; F402-H406 HydrophobicContact CD1-CB 3.9Å; F402-H406 AromaticContact CD1-CG 3.87Å; F402-H406 AromaticContact CD1-ND1 3.38Å; F402-H406 WeakPolarHBondContact CD1-ND1 3.39Å; F402-H406 AromaticContact CD2-CE1 3.86Å; F402-H406 AromaticContact CD2-ND1 3.73Å; F402-H406 HydrophobicContact CE1-CB 3.59Å; F402-H406 AromaticContact CE1-CG 3.53Å; F402-H406 AromaticContact CE1-ND1 3.41Å; F402-H406 WeakPolarHBondContact CE1-ND1 3.31Å; F402-H406 AromaticContact CE2-CE1 3.72Å; F402-H406 AromaticContact CE2-ND1 3.75Å; F402-H406 AromaticContact CG-ND1 3.55Å; F402-H406 HydrophobicContact CZ-CB 4.33Å; F402-H406 AromaticContact CZ-CE1 3.86Å; F402-H406 AromaticContact CZ-CG 3.83Å; F402-H406 AromaticContact CZ-ND1 3.59Å; F402-H406 PolarHBondContact O-N 3.4Å; F402-H406 PolarHBondContact O-ND1 3.18Å
403	A	97.2	Very high	96.9	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-54.7	-42.2	177.3	0	0	0	0	0	112.1	L282 P376 V399 R405 H406	L282-A403 HydrophobicContact CD1-CB 4.31Å; P376-A403 HydrophobicContact CB-CB 4.16Å; V399-A403 PolarHBondContact O-N 3.37Å; A403-R405 PolarHBondContact O-N 2.9Å; A403-H406 PolarHBondContact O-N 3.13Å
404	R	96.3	Very high	96.9	Very high	90 Å²	90	43.4 Å²	43.4	34%	0.34	22%	0.216	S	C	.	.	H	α-helix	trans	-58.2	-31.8	177.3	-167.6	173.1	-175.3	-146.8	0.1	113.8	E213 W219 L282 L400 F402	E213-R404 HydrophobicContact CG-CG 4.45Å; E213-R404 IonicContact OE1-CZ 2.69Å; E213-R404 IonicContact OE1-NE 2.77Å; E213-R404 PolarHBondContact OE1-NE 2.97Å; E213-R404 IonicContact OE1-NH2 3.15Å; E213-R404 PolarHBondContact OE1-NH2 3.38Å; W219-R404 PolarHBondContact NE1-O 2.92Å; L282-R404 HydrophobicContact CD1-CB 4.27Å; L282-R404 HydrophobicContact CD2-CB 4.14Å; L282-R404 HydrophobicContact CD2-CG 4Å; L282-R404 HydrophobicContact CG-CB 4.31Å; L400-R404 WeakPolarHBondContact O-CB 3.22Å; L400-R404 PolarHBondContact O-N 3.28Å; F402-R404 VanDerWaalsContact C-N 3.27Å; F402-R404 PolarHBondContact O-N 2.84Å
405	R	94.4	Very high	96.9	Very high	166 Å²	166	40 Å²	40	63%	0.626	20%	0.198	S	C	*	.	H	α-helix	trans	-96.7	-26.8	-177.1	-66.3	-179.4	-175.6	-163.3	2	114.1	T401 F402 A403 P407	T401-R405 WeakPolarHBondContact O-CG 3.32Å; T401-R405 PolarHBondContact O-N 3.34Å; F402-R405 PolarHBondContact O-N 3.06Å; A403-R405 PolarHBondContact O-N 2.9Å; R405-P407 WeakPolarHBondContact O-CD 3.38Å
406	H	95.8	Very high	96.7	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.028	21%	0.213	C	C	.	.			trans	-119.3	56.4	-172	-55.2	97.3	0	0	0	113.1	Y356 M357 E358 Y367 F402 A403 L408	Y356-H406 HydrophobicContact CD1-CB 4.18Å; Y356-H406 WeakPolarHBondContact CD1-O 3.47Å; Y356-H406 HydrophobicContact CG-CB 4.26Å; M357-H406 PolarHBondContact O-CD2 2.88Å; E358-H406 IonicContact OE1-NE2 3.83Å; Y367-H406 AromaticContact CD2-NE2 3.82Å; F402-H406 HydrophobicContact CD1-CB 3.9Å; F402-H406 AromaticContact CD1-CG 3.87Å; F402-H406 AromaticContact CD1-ND1 3.38Å; F402-H406 WeakPolarHBondContact CD1-ND1 3.39Å; F402-H406 AromaticContact CD2-CE1 3.86Å; F402-H406 AromaticContact CD2-ND1 3.73Å; F402-H406 HydrophobicContact CE1-CB 3.59Å; F402-H406 AromaticContact CE1-CG 3.53Å; F402-H406 AromaticContact CE1-ND1 3.41Å; F402-H406 WeakPolarHBondContact CE1-ND1 3.31Å; F402-H406 AromaticContact CE2-CE1 3.72Å; F402-H406 AromaticContact CE2-ND1 3.75Å; F402-H406 AromaticContact CG-ND1 3.55Å; F402-H406 HydrophobicContact CZ-CB 4.33Å; F402-H406 AromaticContact CZ-CE1 3.86Å; F402-H406 AromaticContact CZ-CG 3.83Å; F402-H406 AromaticContact CZ-ND1 3.59Å; F402-H406 PolarHBondContact O-N 3.4Å; F402-H406 PolarHBondContact O-ND1 3.18Å; A403-H406 PolarHBondContact O-N 3.13Å; H406-L408 PolarHBondContact O-N 3.45Å
407	P	95.8	Very high	96.4	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.052	22%	0.223	C	C	.	.			trans	-74.8	-9.6	-179.6	35.3	-40	0	0	0	113.4	W219 F289 L290 K291 R405	W219-P407 HydrophobicContact CD2-CB 4.25Å; W219-P407 HydrophobicContact CG-CB 4.01Å; W219-P407 HydrophobicContact CG-CG 4.13Å; F289-P407 HydrophobicContact CD1-CB 4.01Å; F289-P407 HydrophobicContact CE1-CB 3.99Å; L290-P407 CarbonylContact C-O 3.39Å; L290-P407 WeakPolarHBondContact CA-O 3.16Å; K291-P407 PolarHBondContact N-O 2.62Å; R405-P407 WeakPolarHBondContact O-CD 3.38Å
408	L	96.9	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-109	131.4	-172.5	174.2	62.1	0	0	0	110.6	K291 Y356 M357 W364 H406	K291-L408 HydrophobicContact CG-CB 4.47Å; K291-L408 HydrophobicContact CG-CD1 4.08Å; K291-L408 CarbonylContact O-C 3.4Å; K291-L408 WeakPolarHBondContact O-CA 3.36Å; Y356-L408 CarbonylContact C-O 3.49Å; M357-L408 HydrophobicContact CB-CB 4.19Å; M357-L408 HydrophobicContact CB-CD2 3.96Å; M357-L408 HydrophobicContact CB-CG 3.94Å; M357-L408 HydrophobicContact CG-CD2 3.93Å; M357-L408 HydrophobicContact CG-CG 3.83Å; M357-L408 PolarHBondContact N-O 3.35Å; W364-L408 HydrophobicContact CE3-CD2 4.25Å; W364-L408 HydrophobicContact CH2-CD2 4.49Å; W364-L408 HydrophobicContact CZ3-CD2 4.09Å; H406-L408 PolarHBondContact O-N 3.45Å
409	M	97.9	Very high	96	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.025	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-80.2	145	171.8	-51.4	-44.5	-61.2	0	0	111.4	L290 K291 A292 V351 F352 G354 Y356	L290-M409 HydrophobicContact CB-SD 4.23Å; L290-M409 HydrophobicContact CD1-SD 3.91Å; L290-M409 HydrophobicContact CD2-SD 4.03Å; L290-M409 HydrophobicContact CG-SD 4.29Å; K291-M409 PolarHBondContact O-N 2.98Å; A292-M409 HydrophobicContact CB-CB 4.11Å; A292-M409 HydrophobicContact CB-CG 4.16Å; V351-M409 HydrophobicContact CG1-CB 3.99Å; V351-M409 HydrophobicContact CG1-CG 4.34Å; V351-M409 WeakPolarHBondContact O-CE 3.24Å; F352-M409 HydrophobicContact CD1-CG 3.74Å; F352-M409 HydrophobicContact CD1-SD 4.25Å; F352-M409 HydrophobicContact CE1-CG 4.16Å; G354-M409 VanDerWaalsContact O-CE 3.25Å; G354-M409 WeakPolarHBondContact O-CE 3.4Å; Y356-M409 HydrophobicContact CD1-CE 3.93Å; Y356-M409 HydrophobicContact CD1-SD 3.94Å; Y356-M409 HydrophobicContact CE1-CE 4.1Å; Y356-M409 HydrophobicContact CE1-SD 4.2Å; Y356-M409 HydrophobicContact CG-CE 4.32Å
410	A	96	Very high	95.8	Very high	21 Å²	21	48.7 Å²	48.7	17%	0.174	23%	0.231	C	C	.	.	S	Bend	trans	-81.9	-32.9	179.3	0	0	0	0	0	113.6	P355 M357 E366	P355-A410 HydrophobicContact CG-CB 4.28Å; P355-A410 WeakPolarHBondContact O-CB 3.45Å; P355-A410 PolarHBondContact O-N 3.43Å; M357-A410 VanDerWaalsContact CG-CA 3.48Å; M357-A410 HydrophobicContact CG-CB 3.83Å; M357-A410 WeakPolarHBondContact SD-CA 3.48Å; M357-A410 HydrophobicContact SD-CB 3.36Å; M357-A410 WeakPolarHBondContact SD-CB 3.43Å; E366-A410 HydrophobicContact CB-CB 3.99Å; E366-A410 HydrophobicContact CG-CB 3.75Å
411	K	97.1	Very high	95.6	Very high	112 Å²	112	49.4 Å²	49.4	49%	0.487	24%	0.235	S	C	.	.	S	Bend	trans	-74.8	145.8	170.5	-67.4	-176.8	179.6	179.9	0	109.9	V351 P355	V351-K411 HydrophobicContact CG1-CB 4.22Å; V351-K411 WeakPolarHBondContact CG1-O 3.26Å; V351-K411 HydrophobicContact CG2-CB 4.11Å; P355-K411 HydrophobicContact CG-CG 4.29Å
412	Q	96.5	Very high	95.5	Very high	68 Å²	68	47 Å²	47	32%	0.318	22%	0.22	S	C	.	.			trans	-104.2	145.7	179.2	-49.7	-173.9	20.7	0	0	108.9	R293 V295 H414	R293-Q412 HydrophobicContact CB-CB 4.14Å; R293-Q412 HydrophobicContact CB-CG 4.03Å; V295-Q412 HydrophobicContact CG2-CB 3.85Å; Q412-H414 PolarHBondContact O-CD2 2.81Å; Q412-H414 PolarHBondContact O-N 3.38Å
413	V	98.3	Very high	95.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-80.8	105.4	172.2	-167.2	0	0	0	0	107.4	V268 A292 R293 M294 V295 Y343 V348 V351	V268-V413 HydrophobicContact CG1-CG2 3.98Å; A292-V413 HydrophobicContact CB-CG2 4.1Å; R293-V413 PolarHBondContact O-N 2.92Å; M294-V413 HydrophobicContact CG-CB 4.49Å; V295-V413 PolarHBondContact N-O 3.31Å; Y343-V413 HydrophobicContact CD1-CG1 3.71Å; Y343-V413 HydrophobicContact CE1-CG1 4.47Å; Y343-V413 HydrophobicContact CG-CG1 4.32Å; V348-V413 HydrophobicContact CG2-CG1 3.79Å; V351-V413 HydrophobicContact CB-CG2 4.12Å; V351-V413 HydrophobicContact CG1-CG2 4.09Å; V351-V413 HydrophobicContact CG2-CG2 4.1Å
414	H	97.5	Very high	95	Very high	86 Å²	86	47.3 Å²	47.3	40%	0.398	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-87.6	154.2	173	-70.4	-86.5	0	0	0	110.5	Y343 Q412 L418	Y343-H414 WeakPolarHBondContact CD1-O 3.46Å; Q412-H414 PolarHBondContact O-CD2 2.81Å; Q412-H414 PolarHBondContact O-N 3.38Å; H414-L418 HydrophobicContact CB-CD2 3.64Å
415	P	96.9	Very high	94.8	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.039	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-76.6	165.8	179.6	34	-32.5	0	0	0	110.8	V295 C341 Q342 Y343 L418 R419	V295-P415 WeakPolarHBondContact O-CD 3.42Å; C341-P415 HydrophobicContact CB-CB 3.99Å; Q342-P415 CarbonylContact O-C 3.58Å; Q342-P415 WeakPolarHBondContact O-CA 3.41Å; Q342-P415 VanDerWaalsContact O-CB 3.24Å; Q342-P415 WeakPolarHBondContact O-CB 3.36Å; Y343-P415 HydrophobicContact CD1-CB 4.21Å; Y343-P415 HydrophobicContact CE1-CB 3.91Å; P415-L418 WeakPolarHBondContact O-CA 3.41Å; P415-L418 PolarHBondContact O-N 3.13Å; P415-R419 WeakPolarHBondContact CG-O 3.33Å
416	V	94.1	Very high	94.6	Very high	64 Å²	64	44.6 Å²	44.6	39%	0.388	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-53.5	140.5	168.7	-176.5	0	0	0	0	109.1	Q342 L418	Q342-V416 HydrophobicContact CB-CB 4.31Å; Q342-V416 HydrophobicContact CB-CG2 4.02Å; Q342-V416 PolarHBondContact O-N 2.91Å; V416-L418 PolarHBondContact O-N 2.84Å
417	D	90.1	Very high	94.6	Very high	101 Å²	101	45.5 Å²	45.5	54%	0.54	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	55.4	11.1	-172.3	-63.7	-4.7	0	0	0	116.3	R419	D417-R419 HydrophobicContact CB-CG 3.77Å; D417-R419 PolarHBondContact O-N 3.42Å; D417-R419 VanDerWaalsContact O-N 3.14Å; D417-R419 IonicContact OD2-CZ 3.99Å; D417-R419 IonicContact OD2-NE 2.76Å; D417-R419 PolarHBondContact OD2-NE 2.85Å; D417-R419 IonicContact OD2-NH2 2.69Å; D417-R419 PolarHBondContact OD2-NH2 2.91Å
418	L	93.2	Very high	94.6	Very high	117 Å²	117	46.9 Å²	46.9	61%	0.613	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	60	14.6	-176.6	-50	178.3	0	0	0	115.1	H414 P415 V416	H414-L418 HydrophobicContact CB-CD2 3.64Å; P415-L418 WeakPolarHBondContact O-CA 3.41Å; P415-L418 PolarHBondContact O-N 3.13Å; V416-L418 PolarHBondContact O-N 2.84Å
419	R	91.8	Very high	94.6	Very high	87 Å²	87	47 Å²	47	33%	0.328	24%	0.239	S	C	.	.	S	Bend	trans	-133.2	163.6	-178.3	62.8	-173.9	173	152.3	2.9	110.4	P415 D417	P415-R419 WeakPolarHBondContact CG-O 3.33Å; D417-R419 HydrophobicContact CB-CG 3.77Å; D417-R419 PolarHBondContact O-N 3.42Å; D417-R419 VanDerWaalsContact O-N 3.14Å; D417-R419 IonicContact OD2-CZ 3.99Å; D417-R419 IonicContact OD2-NE 2.76Å; D417-R419 PolarHBondContact OD2-NE 2.85Å; D417-R419 IonicContact OD2-NH2 2.69Å; D417-R419 PolarHBondContact OD2-NH2 2.91Å
420	P	94.6	Very high	94.6	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.045	25%	0.247	C	C	.	.			trans	-68.9	150.8	167	30.3	-36	0	0	0	111.3	S297 V298 A339 I340	S297-P420 WeakPolarHBondContact O-CD 3.2Å; V298-P420 HydrophobicContact CG2-CG 4.1Å; A339-P420 HydrophobicContact CB-CB 4.05Å; I340-P420 CarbonylContact O-C 3.58Å; I340-P420 WeakPolarHBondContact O-CA 3.47Å; I340-P420 WeakPolarHBondContact O-CB 3.43Å
421	L	93.9	Very high	94.7	Very high	19 Å²	19	49.4 Å²	49.4	10%	0.099	25%	0.248	C	C	.	.	S	Bend	trans	-66.6	-29.5	167.8	167	64.2	0	0	0	111.4	Y325 I340 Q342 L448 E462 T467	Y325-L421 HydrophobicContact CE1-CD2 4.24Å; I340-L421 PolarHBondContact O-N 3.19Å; Q342-L421 HydrophobicContact CG-CB 4.1Å; Q342-L421 HydrophobicContact CG-CD2 3.91Å; L421-L448 HydrophobicContact CD2-CD1 3.91Å; L421-E462 HydrophobicContact CD1-CG 4.06Å; L421-T467 WeakPolarHBondContact CD1-OG1 3.16Å; L421-T467 WeakPolarHBondContact CG-OG1 3.2Å; L421-T467 PolarHBondContact O-OG1 2.89Å
422	M	93	Very high	94.8	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	139.3	-178.5	-169.9	-159.9	-168.4	0	0	110	V35 A339 I340 Y429 L450 T467 I469	V35-M422 HydrophobicContact CB-CE 4.04Å; V35-M422 HydrophobicContact CG2-CE 4.49Å; V35-M422 HydrophobicContact CG2-CG 4.22Å; A339-M422 CarbonylContact C-O 3.56Å; A339-M422 VanDerWaalsContact CA-O 3.27Å; A339-M422 WeakPolarHBondContact CA-O 3.17Å; I340-M422 HydrophobicContact CB-CB 4.09Å; I340-M422 HydrophobicContact CG1-CB 4.06Å; I340-M422 HydrophobicContact CG1-SD 4.12Å; I340-M422 PolarHBondContact N-O 2.94Å; I340-M422 PolarHBondContact O-N 3.13Å; M422-Y429 HydrophobicContact CE-CE2 4.39Å; M422-Y429 WeakPolarHBondContact CE-OH 3.25Å; M422-Y429 HydrophobicContact SD-CE2 4.03Å; M422-L450 HydrophobicContact CE-CD1 4.45Å; M422-L450 HydrophobicContact SD-CD1 3.65Å; M422-T467 HydrophobicContact CB-CG2 4.32Å; M422-T467 HydrophobicContact CE-CG2 4.37Å; M422-T467 HydrophobicContact CG-CG2 4.06Å; M422-T467 HydrophobicContact SD-CG2 4.13Å; M422-I469 HydrophobicContact CE-CD1 3.36Å; M422-I469 HydrophobicContact CE-CG1 3.55Å
423	F	93.4	Very high	94.8	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.022	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.5	163.3	175.1	-113.8	0	0	0	108.7	L33 V298 Y301 L303 L305 A337 S338 A339 R425	L33-F423 HydrophobicContact CB-CB 4.19Å; L33-F423 HydrophobicContact CB-CD1 4.17Å; L33-F423 CarbonylContact O-C 3.46Å; L33-F423 WeakPolarHBondContact O-CB 3.18Å; L33-F423 PolarHBondContact O-N 2.76Å; V298-F423 HydrophobicContact CG2-CB 4.36Å; V298-F423 HydrophobicContact CG2-CD2 3.75Å; V298-F423 HydrophobicContact CG2-CE2 4.13Å; V298-F423 HydrophobicContact CG2-CG 4.03Å; Y301-F423 HydrophobicContact CD2-CE1 4.36Å; Y301-F423 HydrophobicContact CE2-CD1 4.44Å; Y301-F423 HydrophobicContact CE2-CE1 4.11Å; L303-F423 HydrophobicContact CD2-CE2 3.86Å; L303-F423 HydrophobicContact CD2-CZ 3.85Å; L305-F423 HydrophobicContact CD2-CE2 4.4Å; A337-F423 HydrophobicContact CB-CE2 4.17Å; A337-F423 HydrophobicContact CB-CZ 4.36Å; S338-F423 CarbonylContact O-C 3.52Å; S338-F423 WeakPolarHBondContact O-CA 3.33Å; S338-F423 WeakPolarHBondContact O-CD2 3.32Å; A339-F423 HydrophobicContact CB-CD2 4.33Å; F423-R425 HydrophobicContact CD1-CG 4.42Å; F423-R425 HydrophobicContact CE1-CG 3.57Å; F423-R425 HydrophobicContact CZ-CG 3.98Å
424	K	92.4	Very high	94.8	Very high	21 Å²	21	41.4 Å²	41.4	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	122.3	173.7	-166.4	73.8	-160.6	70	0	110.4	D34 V35 A337 S338 V427 Y429	D34-K424 WeakPolarHBondContact OD1-CA 3.46Å; D34-K424 VanDerWaalsContact OD1-CD 3.29Å; D34-K424 WeakPolarHBondContact OD1-CD 3.16Å; D34-K424 WeakPolarHBondContact OD1-CE 3.42Å; D34-K424 IonicContact OD1-NZ 2.63Å; D34-K424 PolarHBondContact OD1-NZ 2.76Å; D34-K424 IonicContact OD2-NZ 3.82Å; D34-K424 PolarHBondContact OD2-NZ 3.36Å; V35-K424 WeakPolarHBondContact O-CD 3.16Å; V35-K424 WeakPolarHBondContact O-CE 3.41Å; A337-K424 WeakPolarHBondContact CA-O 3.27Å; S338-K424 PolarHBondContact N-O 3.07Å; S338-K424 PolarHBondContact O-N 2.92Å; K424-V427 HydrophobicContact CB-CB 4.42Å; K424-V427 HydrophobicContact CG-CB 3.71Å; K424-V427 HydrophobicContact CG-CG1 4.5Å; K424-V427 HydrophobicContact CG-CG2 3.69Å; K424-Y429 HydrophobicContact CB-CE2 3.89Å; K424-Y429 HydrophobicContact CG-CE2 4.46Å
425	R	91.2	Very high	94.7	Very high	100 Å²	100	38.7 Å²	38.7	38%	0.377	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	154.8	169.6	-57	175.4	168.3	149.5	0	110.2	D34 Y301 F423 V427	D34-R425 HydrophobicContact CB-CG 4.33Å; D34-R425 PolarHBondContact OD1-N 3.48Å; D34-R425 WeakPolarHBondContact OD2-CB 3.43Å; Y301-R425 PolarHBondContact OH-NH2 3.2Å; Y301-R425 VanDerWaalsContact OH-NH2 3.07Å; F423-R425 HydrophobicContact CD1-CG 4.42Å; F423-R425 HydrophobicContact CE1-CG 3.57Å; F423-R425 HydrophobicContact CZ-CG 3.98Å; R425-V427 PolarHBondContact O-N 3.33Å; R425-V427 VanDerWaalsContact O-N 3.08Å
426	S	90.8	Very high	94.6	Very high	99 Å²	99	42.8 Å²	42.8	69%	0.692	22%	0.218	S	C	*	.	S	Bend	trans	63.9	3.5	179.2	-52.4	0	0	0	0	115.7	K336	K336-S426 WeakPolarHBondContact O-CA 2.98Å; K336-S426 PolarHBondContact O-N 3.03Å
427	V	94.4	Very high	94.7	Very high	25 Å²	25	40.3 Å²	40.3	15%	0.152	20%	0.202	C	C	.	.			trans	-124.8	134.7	-178	-178.5	0	0	0	0	110.4	A337 S338 K424 R425 Y429 T452	A337-V427 CarbonylContact C-O 3.58Å; S338-V427 PolarHBondContact N-O 3.4Å; S338-V427 PolarHBondContact OG-O 2.73Å; K424-V427 HydrophobicContact CB-CB 4.42Å; K424-V427 HydrophobicContact CG-CB 3.71Å; K424-V427 HydrophobicContact CG-CG1 4.5Å; K424-V427 HydrophobicContact CG-CG2 3.69Å; R425-V427 PolarHBondContact O-N 3.33Å; R425-V427 VanDerWaalsContact O-N 3.08Å; V427-Y429 HydrophobicContact CG1-CD1 3.9Å; V427-Y429 HydrophobicContact CG1-CE1 3.67Å; V427-Y429 HydrophobicContact CG1-CG 4.44Å; V427-T452 HydrophobicContact CG1-CG2 3.63Å
428	N	96.1	Very high	94.9	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.193	20%	0.195	C	C	.	.			trans	-105.1	106.9	167.6	-72.1	-23.3	0	0	0	108.9	K336 S338 T452 D453	K336-N428 WeakPolarHBondContact CA-OD1 3.43Å; K336-N428 WeakPolarHBondContact CG-ND2 3.35Å; S338-N428 VanDerWaalsContact OG-CA 3.27Å; S338-N428 WeakPolarHBondContact OG-CA 3.31Å; N428-T452 CarbonylContact O-C 3.48Å; N428-T452 VanDerWaalsContact O-CA 3.25Å; N428-T452 WeakPolarHBondContact O-CA 3.14Å; N428-D453 HydrophobicContact CB-CB 4.06Å; N428-D453 VanDerWaalsContact CB-CG 3.47Å; N428-D453 WeakPolarHBondContact CB-OD2 3.44Å; N428-D453 PolarHBondContact ND2-OD2 2.81Å; N428-D453 PolarHBondContact O-N 3.47Å
429	Y	97.9	Very high	94.9	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	138.5	167.2	-62.3	-53	0	0	0	109.9	V327 S338 I340 M422 K424 V427 L450 G451 T452 H458	V327-Y429 WeakPolarHBondContact CG1-O 3.34Å; S338-Y429 PolarHBondContact OG-N 2.84Å; I340-Y429 HydrophobicContact CD1-CD2 4.01Å; M422-Y429 HydrophobicContact CE-CE2 4.39Å; M422-Y429 WeakPolarHBondContact CE-OH 3.25Å; M422-Y429 HydrophobicContact SD-CE2 4.03Å; K424-Y429 HydrophobicContact CB-CE2 3.89Å; K424-Y429 HydrophobicContact CG-CE2 4.46Å; V427-Y429 HydrophobicContact CG1-CD1 3.9Å; V427-Y429 HydrophobicContact CG1-CE1 3.67Å; V427-Y429 HydrophobicContact CG1-CG 4.44Å; Y429-L450 HydrophobicContact CD1-CB 3.7Å; Y429-L450 HydrophobicContact CD2-CD1 4.33Å; Y429-L450 HydrophobicContact CE1-CB 3.69Å; Y429-L450 HydrophobicContact CE1-CD1 4.11Å; Y429-L450 HydrophobicContact CE2-CD1 3.87Å; Y429-L450 HydrophobicContact CG-CB 4.26Å; Y429-G451 CarbonylContact C-O 3.55Å; Y429-G451 WeakPolarHBondContact CA-O 3.33Å; Y429-T452 HydrophobicContact CD1-CG2 3.89Å; Y429-T452 HydrophobicContact CE1-CG2 4.04Å; Y429-H458 HydrophobicContact CE1-CB 4.5Å; Y429-H458 AromaticContact CE1-CE1 3.98Å; Y429-H458 AromaticContact CE1-ND1 3.52Å; Y429-H458 AromaticContact CZ-ND1 3.64Å; Y429-H458 PolarHBondContact OH-ND1 3.23Å
430	V	97.3	Very high	95	Very high	31 Å²	31	31 Å²	31	19%	0.188	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-16.4	-176.2	-60.4	0	0	0	0	113.7	G451 T452 D453 I482	V430-G451 PolarHBondContact N-O 2.94Å; V430-T452 WeakPolarHBondContact CG2-O 3.4Å; V430-D453 HydrophobicContact CG1-CB 3.86Å; V430-I482 HydrophobicContact CG2-CB 4.42Å; V430-I482 VanDerWaalsContact CG2-O 3.3Å; V430-I482 WeakPolarHBondContact CG2-O 3.06Å
431	K	98.1	Very high	94.9	Very high	46 Å²	46	34.1 Å²	34.1	20%	0.2	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.7	172.2	-70.8	-65.9	142.7	-158.1	0	111.8	D310 G451 I482 E483 M485	D310-K431 IonicContact OD1-NZ 2.67Å; D310-K431 PolarHBondContact OD1-NZ 3.13Å; D310-K431 VanDerWaalsContact OD2-CA 3.29Å; D310-K431 WeakPolarHBondContact OD2-CA 3.03Å; K431-G451 PolarHBondContact N-O 3.31Å; K431-G451 PolarHBondContact O-N 2.58Å; K431-I482 HydrophobicContact CB-CG2 4.16Å; K431-I482 HydrophobicContact CG-CG2 3.94Å; K431-E483 VanDerWaalsContact CE-O 3.31Å; K431-E483 WeakPolarHBondContact CE-O 3.49Å; K431-M485 HydrophobicContact CB-CB 4.15Å; K431-M485 HydrophobicContact CB-CE 4.13Å; K431-M485 HydrophobicContact CG-CB 4.46Å
432	I	98.4	Very high	94.7	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.3	172.1	-179.1	163.7	0	0	0	111	D310 F312 V327 I340 V434 L448 F449 L450	D310-I432 HydrophobicContact CB-CG2 4.17Å; D310-I432 WeakPolarHBondContact OD2-CG2 3.44Å; D310-I432 PolarHBondContact OD2-N 3.49Å; F312-I432 HydrophobicContact CB-CG2 3.99Å; V327-I432 HydrophobicContact CG2-CB 3.62Å; V327-I432 HydrophobicContact CG2-CD1 4.42Å; V327-I432 HydrophobicContact CG2-CG2 3.43Å; V327-I432 VanDerWaalsContact CG2-CG2 3.43Å; I340-I432 HydrophobicContact CG2-CD1 4.04Å; I432-V434 HydrophobicContact CD1-CG2 3.96Å; I432-V434 HydrophobicContact CG1-CG2 3.88Å; I432-L448 HydrophobicContact CD1-CD2 4.44Å; I432-F449 WeakPolarHBondContact CA-O 3.48Å; I432-L450 HydrophobicContact CB-CD2 4.06Å; I432-L450 HydrophobicContact CD1-CD2 3.69Å; I432-L450 HydrophobicContact CG1-CD2 3.74Å
433	A	97.9	Very high	94.8	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.5	160	0	0	0	0	0	109.7	F312 F449 M485 T487	F312-A433 HydrophobicContact CD2-CB 4.4Å; F312-A433 HydrophobicContact CE2-CB 4.28Å; A433-F449 HydrophobicContact CB-CB 4.4Å; A433-F449 PolarHBondContact N-O 3.4Å; A433-F449 PolarHBondContact O-N 2.85Å; A433-M485 HydrophobicContact CB-CG 4.35Å; A433-M485 HydrophobicContact CB-SD 3.97Å; A433-T487 HydrophobicContact CB-CG2 3.56Å
434	V	97.3	Very high	94.8	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.03	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.1	-177.3	-172.1	0	0	0	0	110.4	F312 L314 Y325 I432 T446 V447 L448	F312-V434 HydrophobicContact CB-CG2 4.19Å; F312-V434 HydrophobicContact CD1-CB 3.59Å; F312-V434 HydrophobicContact CD1-CG2 3.75Å; F312-V434 HydrophobicContact CE1-CB 3.7Å; F312-V434 HydrophobicContact CE1-CG2 4.36Å; F312-V434 VanDerWaalsContact CE1-O 3.27Å; F312-V434 WeakPolarHBondContact CE1-O 3.42Å; F312-V434 HydrophobicContact CG-CB 4.27Å; F312-V434 HydrophobicContact CG-CG2 4.05Å; F312-V434 HydrophobicContact CZ-CB 4.43Å; F312-V434 WeakPolarHBondContact CZ-O 3.29Å; L314-V434 HydrophobicContact CD2-CG1 3.96Å; Y325-V434 HydrophobicContact CD1-CG2 4.14Å; Y325-V434 HydrophobicContact CD2-CG1 4.5Å; Y325-V434 HydrophobicContact CD2-CG2 3.93Å; Y325-V434 HydrophobicContact CE1-CG1 4.45Å; Y325-V434 HydrophobicContact CE2-CG1 4.09Å; Y325-V434 HydrophobicContact CE2-CG2 4.34Å; Y325-V434 HydrophobicContact CG-CG2 3.85Å; I432-V434 HydrophobicContact CD1-CG2 3.96Å; I432-V434 HydrophobicContact CG1-CG2 3.88Å; V434-T446 HydrophobicContact CG1-CG2 3.39Å; V434-V447 WeakPolarHBondContact CA-O 3.43Å; V434-L448 HydrophobicContact CB-CD2 4.47Å; V434-L448 HydrophobicContact CG1-CD2 4.01Å; V434-L448 HydrophobicContact CG2-CD2 3.78Å
435	H	95.7	Very high	95	Very high	29 Å²	29	50.9 Å²	50.9	13%	0.134	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.5	-179.3	179.3	64.3	0	0	0	110.6	E437 V447 F449 F526	H435-E437 IonicContact CD2-OE2 2.72Å; H435-E437 IonicContact CE1-OE2 3.31Å; H435-E437 IonicContact NE2-OE2 2.74Å; H435-E437 PolarHBondContact NE2-OE2 2.91Å; H435-V447 PolarHBondContact N-O 2.77Å; H435-V447 PolarHBondContact O-N 3.4Å; H435-F449 HydrophobicContact CB-CE2 4.03Å; H435-F526 AromaticContact CD2-CZ 3.7Å
436	K	95.3	Very high	95.3	Very high	91 Å²	91	46.5 Å²	46.5	40%	0.396	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.4	170.2	-71.8	-157.9	174.1	-155.3	0	110.1	L314 Y445	L314-K436 HydrophobicContact CD2-CD 4.38Å; L314-K436 HydrophobicContact CD2-CG 4.19Å; K436-Y445 WeakPolarHBondContact CA-O 3.33Å
437	E	95.2	Very high	95.6	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130	-179.6	-169.9	68.4	-179.1	0	0	110.5	H435 Y445 R492 P525 F526	H435-E437 IonicContact CD2-OE2 2.72Å; H435-E437 IonicContact CE1-OE2 3.31Å; H435-E437 IonicContact NE2-OE2 2.74Å; H435-E437 PolarHBondContact NE2-OE2 2.91Å; E437-Y445 PolarHBondContact N-O 2.99Å; E437-Y445 PolarHBondContact O-N 2.9Å; E437-R492 IonicContact OE1-CZ 3.53Å; E437-R492 VanDerWaalsContact OE1-CZ 3.22Å; E437-R492 IonicContact OE1-NH1 3.47Å; E437-R492 PolarHBondContact OE1-NH1 2.99Å; E437-R492 IonicContact OE1-NH2 3.4Å; E437-R492 PolarHBondContact OE1-NH2 2.77Å; E437-R492 IonicContact OE2-NH1 3.66Å; E437-R492 PolarHBondContact OE2-NH1 2.85Å; E437-P525 HydrophobicContact CB-CB 4.16Å; E437-P525 HydrophobicContact CG-CB 4.24Å; E437-F526 HydrophobicContact CB-CD2 4.41Å; E437-F526 HydrophobicContact CB-CE2 3.99Å; E437-F526 HydrophobicContact CB-CZ 4.08Å; E437-F526 HydrophobicContact CG-CD1 4.14Å; E437-F526 HydrophobicContact CG-CD2 4.01Å; E437-F526 HydrophobicContact CG-CE1 4.09Å; E437-F526 HydrophobicContact CG-CE2 3.99Å; E437-F526 HydrophobicContact CG-CG 4.07Å; E437-F526 HydrophobicContact CG-CZ 4.02Å
438	P	94.1	Very high	95.8	Very high	60 Å²	60	40.6 Å²	40.6	39%	0.39	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.3	172	30	-31.6	0	0	0	110.9	N443 L444	P438-N443 WeakPolarHBondContact CA-O 3.31Å; P438-L444 HydrophobicContact CB-CD2 3.86Å; P438-L444 HydrophobicContact CG-CD2 4.47Å
439	A	94.4	Very high	95.9	Very high	2 Å²	2	39 Å²	39	2%	0.017	20%	0.197	C	C	.	.			trans	-86.3	-179.6	178	0	0	0	0	0	112.6	D441 E442 N443 Y445 P525 I550	A439-D441 WeakPolarHBondContact CB-OD1 3.42Å; A439-D441 PolarHBondContact O-N 2.72Å; A439-E442 PolarHBondContact O-N 3.37Å; A439-N443 PolarHBondContact N-O 3.26Å; A439-Y445 HydrophobicContact CB-CD2 3.56Å; A439-Y445 HydrophobicContact CB-CE2 3.64Å; A439-P525 HydrophobicContact CB-CB 4.48Å; A439-I550 HydrophobicContact CB-CG1 4.2Å
440	L	93.7	Very high	96	Very high	46 Å²	46	38.8 Å²	38.8	24%	0.241	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.6	-178.6	-172.1	61.2	0	0	0	113.8	E442 I537 R543 L546 Q548	L440-E442 PolarHBondContact O-N 2.94Å; L440-I537 HydrophobicContact CB-CD1 4.14Å; L440-R543 HydrophobicContact CD1-CB 3.94Å; L440-L546 HydrophobicContact CD1-CB 4.12Å; L440-L546 HydrophobicContact CD1-CD1 4.44Å; L440-L546 HydrophobicContact CD2-CB 3.75Å; L440-L546 WeakPolarHBondContact CD2-O 3.06Å; L440-Q548 HydrophobicContact CB-CB 4.04Å; L440-Q548 HydrophobicContact CD2-CB 3.91Å
441	D	92.2	Very high	96	Very high	74 Å²	74	37.3 Å²	37.3	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	12.3	177.3	68	-17	0	0	0	113.2	A439 N443 Y445	A439-D441 WeakPolarHBondContact CB-OD1 3.42Å; A439-D441 PolarHBondContact O-N 2.72Å; D441-N443 VanDerWaalsContact CG-ND2 3.28Å; D441-N443 PolarHBondContact O-N 2.89Å; D441-N443 VanDerWaalsContact O-N 3.14Å; D441-N443 WeakPolarHBondContact OD1-CB 3.49Å; D441-N443 PolarHBondContact OD1-N 3.36Å; D441-N443 PolarHBondContact OD2-ND2 2.99Å; D441-Y445 PolarHBondContact OD2-OH 2.04Å
442	E	90	Very high	96	Very high	181 Å²	181	35.3 Å²	35.3	85%	0.846	18%	0.179	S	C	*	.	S	Bend	trans	65.1	2.6	-177.2	-53.4	-173.5	174.5	0	0	115.2	A439 L440	A439-E442 PolarHBondContact O-N 3.37Å; L440-E442 PolarHBondContact O-N 2.94Å
443	N	94.2	Very high	95.9	Very high	88 Å²	88	37.2 Å²	37.2	47%	0.471	19%	0.189	S	C	.	.			trans	-78.2	147.6	174.4	-69.5	-52.8	0	0	0	112	P438 A439 D441 Y445	P438-N443 WeakPolarHBondContact CA-O 3.31Å; A439-N443 PolarHBondContact N-O 3.26Å; D441-N443 VanDerWaalsContact CG-ND2 3.28Å; D441-N443 PolarHBondContact O-N 2.89Å; D441-N443 VanDerWaalsContact O-N 3.14Å; D441-N443 WeakPolarHBondContact OD1-CB 3.49Å; D441-N443 PolarHBondContact OD1-N 3.36Å; D441-N443 PolarHBondContact OD2-ND2 2.99Å; N443-Y445 HydrophobicContact CB-CD2 4.29Å; N443-Y445 HydrophobicContact CB-CE2 3.75Å
444	L	94.5	Very high	95.8	Very high	104 Å²	104	41.2 Å²	41.2	55%	0.545	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106.5	174.5	-75.1	168.4	0	0	0	110.1	P438	P438-L444 HydrophobicContact CB-CD2 3.86Å; P438-L444 HydrophobicContact CG-CD2 4.47Å
445	Y	96.8	Very high	95.7	Very high	27 Å²	27	41 Å²	41	11%	0.106	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.3	179.1	-73.7	-86	0	0	0	111.7	K436 E437 A439 D441 N443 V461 V463 P525 I550	K436-Y445 WeakPolarHBondContact CA-O 3.33Å; E437-Y445 PolarHBondContact N-O 2.99Å; E437-Y445 PolarHBondContact O-N 2.9Å; A439-Y445 HydrophobicContact CB-CD2 3.56Å; A439-Y445 HydrophobicContact CB-CE2 3.64Å; D441-Y445 PolarHBondContact OD2-OH 2.04Å; N443-Y445 HydrophobicContact CB-CD2 4.29Å; N443-Y445 HydrophobicContact CB-CE2 3.75Å; Y445-V461 HydrophobicContact CD1-CG2 4.06Å; Y445-V461 HydrophobicContact CG-CG2 4.35Å; Y445-V463 HydrophobicContact CD1-CG2 4.23Å; Y445-V463 HydrophobicContact CE1-CG1 4.37Å; Y445-V463 HydrophobicContact CE1-CG2 4.09Å; Y445-P525 HydrophobicContact CG-CG 4.22Å; Y445-I550 HydrophobicContact CD1-CG2 3.66Å; Y445-I550 HydrophobicContact CD2-CG1 4.44Å; Y445-I550 HydrophobicContact CD2-CG2 4.27Å; Y445-I550 HydrophobicContact CE1-CB 4Å; Y445-I550 HydrophobicContact CE1-CG2 3.43Å; Y445-I550 VanDerWaalsContact CE1-CG2 3.43Å; Y445-I550 HydrophobicContact CE2-CB 3.93Å; Y445-I550 HydrophobicContact CE2-CG1 4.06Å; Y445-I550 HydrophobicContact CE2-CG2 4.05Å; Y445-I550 HydrophobicContact CG-CG2 4.08Å
446	T	96.9	Very high	95.8	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.8	169.2	-45.6	0	0	0	0	109.1	Y325 V434 L448 E462	Y325-T446 HydrophobicContact CE1-CG2 4.37Å; V434-T446 HydrophobicContact CG1-CG2 3.39Å; T446-L448 HydrophobicContact CG2-CD2 4.26Å; T446-E462 WeakPolarHBondContact CB-OE2 3.31Å; T446-E462 PolarHBondContact O-N 3.48Å; T446-E462 PolarHBondContact OG1-OE2 2.95Å
447	V	97.8	Very high	95.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	128	175.6	178.7	0	0	0	0	109.3	V434 H435 F449 K459 A460 V461 P525 F526	V434-V447 WeakPolarHBondContact CA-O 3.43Å; H435-V447 PolarHBondContact N-O 2.77Å; H435-V447 PolarHBondContact O-N 3.4Å; V447-F449 HydrophobicContact CG1-CE1 4.02Å; V447-F449 HydrophobicContact CG1-CE2 4.15Å; V447-F449 HydrophobicContact CG1-CZ 3.74Å; V447-K459 HydrophobicContact CG1-CG 4.32Å; V447-A460 CarbonylContact C-O 3.58Å; V447-A460 WeakPolarHBondContact CA-O 3.46Å; V447-A460 WeakPolarHBondContact CG1-O 3.32Å; V447-V461 HydrophobicContact CG2-CG2 4.39Å; V447-P525 HydrophobicContact CG2-CB 4.49Å; V447-P525 HydrophobicContact CG2-CG 3.9Å; V447-F526 HydrophobicContact CB-CE2 4.39Å; V447-F526 HydrophobicContact CG1-CE2 4.14Å; V447-F526 HydrophobicContact CG2-CE2 4.06Å
448	L	98.3	Very high	96.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.6	-179	-52.1	176.2	0	0	0	109.7	Y325 L421 I432 V434 T446 L450 A460 T467	Y325-L448 HydrophobicContact CD1-CD2 4.09Å; Y325-L448 HydrophobicContact CE1-CD2 4.05Å; L421-L448 HydrophobicContact CD2-CD1 3.91Å; I432-L448 HydrophobicContact CD1-CD2 4.44Å; V434-L448 HydrophobicContact CB-CD2 4.47Å; V434-L448 HydrophobicContact CG1-CD2 4.01Å; V434-L448 HydrophobicContact CG2-CD2 3.78Å; T446-L448 HydrophobicContact CG2-CD2 4.26Å; L448-L450 HydrophobicContact CB-CD2 4.34Å; L448-L450 HydrophobicContact CB-CG 4.3Å; L448-A460 HydrophobicContact CB-CB 4.4Å; L448-A460 PolarHBondContact N-O 3.3Å; L448-A460 PolarHBondContact O-N 2.88Å; L448-T467 HydrophobicContact CD1-CG2 4.39Å
449	F	98.5	Very high	96.3	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.6	169.5	-58.6	-68.6	0	0	0	108.1	I432 A433 H435 V447 L457 K459 M485 T487 I494 M507 F526	I432-F449 WeakPolarHBondContact CA-O 3.48Å; A433-F449 HydrophobicContact CB-CB 4.4Å; A433-F449 PolarHBondContact N-O 3.4Å; A433-F449 PolarHBondContact O-N 2.85Å; H435-F449 HydrophobicContact CB-CE2 4.03Å; V447-F449 HydrophobicContact CG1-CE1 4.02Å; V447-F449 HydrophobicContact CG1-CE2 4.15Å; V447-F449 HydrophobicContact CG1-CZ 3.74Å; F449-L457 HydrophobicContact CB-CD1 4.27Å; F449-K459 HydrophobicContact CD1-CB 4.3Å; F449-K459 HydrophobicContact CD1-CG 4.2Å; F449-K459 HydrophobicContact CE1-CB 4.35Å; F449-K459 HydrophobicContact CE1-CD 4.1Å; F449-K459 HydrophobicContact CE1-CG 3.82Å; F449-M485 HydrophobicContact CB-SD 4.13Å; F449-T487 HydrophobicContact CD2-CG2 3.99Å; F449-T487 HydrophobicContact CE2-CG2 4.34Å; F449-I494 HydrophobicContact CB-CD1 4.33Å; F449-I494 HydrophobicContact CD1-CD1 3.37Å; F449-I494 HydrophobicContact CD1-CG1 4.49Å; F449-I494 HydrophobicContact CD2-CD1 4.19Å; F449-I494 HydrophobicContact CE1-CD1 3.56Å; F449-I494 HydrophobicContact CE2-CD1 4.34Å; F449-I494 HydrophobicContact CG-CD1 3.7Å; F449-I494 HydrophobicContact CZ-CD1 4.04Å; F449-M507 HydrophobicContact CE2-CE 4.49Å; F449-M507 HydrophobicContact CE2-CG 4.38Å; F449-M507 HydrophobicContact CZ-CB 4.18Å; F449-M507 HydrophobicContact CZ-CG 3.97Å; F449-F526 HydrophobicContact CZ-CZ 4.42Å
450	L	98.6	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.5	-170.1	-55.1	176	0	0	0	110.4	I340 M422 Y429 I432 L448 L457 H458	I340-L450 HydrophobicContact CD1-CD1 4.37Å; I340-L450 HydrophobicContact CD1-CD2 3.85Å; I340-L450 HydrophobicContact CG1-CD1 4.23Å; I340-L450 HydrophobicContact CG1-CD2 4.31Å; M422-L450 HydrophobicContact CE-CD1 4.45Å; M422-L450 HydrophobicContact SD-CD1 3.65Å; Y429-L450 HydrophobicContact CD1-CB 3.7Å; Y429-L450 HydrophobicContact CD2-CD1 4.33Å; Y429-L450 HydrophobicContact CE1-CB 3.69Å; Y429-L450 HydrophobicContact CE1-CD1 4.11Å; Y429-L450 HydrophobicContact CE2-CD1 3.87Å; Y429-L450 HydrophobicContact CG-CB 4.26Å; I432-L450 HydrophobicContact CB-CD2 4.06Å; I432-L450 HydrophobicContact CD1-CD2 3.69Å; I432-L450 HydrophobicContact CG1-CD2 3.74Å; L448-L450 HydrophobicContact CB-CD2 4.34Å; L448-L450 HydrophobicContact CB-CG 4.3Å; L450-L457 CarbonylContact O-C 3.52Å; L450-L457 WeakPolarHBondContact O-CA 3.3Å; L450-H458 HydrophobicContact CB-CB 4.35Å; L450-H458 PolarHBondContact N-O 3.42Å; L450-H458 PolarHBondContact O-N 3.12Å
451	G	98.3	Very high	96.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	139.9	178.9	0	0	0	0	0	112.6	Y429 V430 K431 W456	Y429-G451 CarbonylContact C-O 3.55Å; Y429-G451 WeakPolarHBondContact CA-O 3.33Å; V430-G451 PolarHBondContact N-O 2.94Å; K431-G451 PolarHBondContact N-O 3.31Å; K431-G451 PolarHBondContact O-N 2.58Å; G451-W456 WeakPolarHBondContact CA-O 3.41Å
452	T	97.9	Very high	96.7	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	165.4	-176.9	74.1	0	0	0	0	114.7	V427 N428 Y429 V430 E454 G455 W456 I482	V427-T452 HydrophobicContact CG1-CG2 3.63Å; N428-T452 CarbonylContact O-C 3.48Å; N428-T452 VanDerWaalsContact O-CA 3.25Å; N428-T452 WeakPolarHBondContact O-CA 3.14Å; Y429-T452 HydrophobicContact CD1-CG2 3.89Å; Y429-T452 HydrophobicContact CE1-CG2 4.04Å; V430-T452 WeakPolarHBondContact CG2-O 3.4Å; T452-E454 PolarHBondContact O-N 2.85Å; T452-E454 PolarHBondContact OG1-N 3.44Å; T452-G455 PolarHBondContact O-N 3.31Å; T452-G455 PolarHBondContact OG1-N 2.87Å; T452-W456 HydrophobicContact CG2-CB 4Å; T452-W456 PolarHBondContact N-O 3.25Å; T452-W456 WeakPolarHBondContact OG1-CB 3.35Å; T452-W456 PolarHBondContact OG1-N 3.06Å; T452-W456 PolarHBondContact OG1-O 2.03Å; T452-I482 PolarHBondContact O-N 3Å
453	D	96.1	Very high	96.9	Very high	46 Å²	46	22.2 Å²	22.2	25%	0.246	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.2	172.8	73.4	-21.9	0	0	0	114.5	K336 N428 V430 P481	K336-D453 WeakPolarHBondContact CE-OD2 3.49Å; K336-D453 IonicContact NZ-OD1 3.94Å; K336-D453 PolarHBondContact NZ-OD1 3.38Å; K336-D453 IonicContact NZ-OD2 2.74Å; K336-D453 PolarHBondContact NZ-OD2 3.31Å; N428-D453 HydrophobicContact CB-CB 4.06Å; N428-D453 VanDerWaalsContact CB-CG 3.47Å; N428-D453 WeakPolarHBondContact CB-OD2 3.44Å; N428-D453 PolarHBondContact ND2-OD2 2.81Å; N428-D453 PolarHBondContact O-N 3.47Å; V430-D453 HydrophobicContact CG1-CB 3.86Å; D453-P481 VanDerWaalsContact O-CA 3.29Å; D453-P481 WeakPolarHBondContact O-CA 3.3Å
454	E	95.9	Very high	96.5	Very high	85 Å²	85	25.4 Å²	25.4	40%	0.397	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	0.1	178.3	-77.4	177.4	-157.7	0	0	113.9	K336 T452 P479 Q480	K336-E454 IonicContact NZ-OE1 3.79Å; K336-E454 PolarHBondContact NZ-OE1 2.93Å; T452-E454 PolarHBondContact O-N 2.85Å; T452-E454 PolarHBondContact OG1-N 3.44Å; E454-P479 HydrophobicContact CB-CB 4.22Å; E454-P479 HydrophobicContact CG-CB 4.3Å; E454-P479 VanDerWaalsContact O-CA 3.23Å; E454-P479 WeakPolarHBondContact O-CA 3.48Å; E454-Q480 CarbonylContact C-O 3.59Å; E454-Q480 VanDerWaalsContact C-O 3.27Å; E454-Q480 PolarHBondContact O-N 3.06Å
455	G	96	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	90.9	27.1	174.4	0	0	0	0	0	114.4	T452 I475 Q480	T452-G455 PolarHBondContact O-N 3.31Å; T452-G455 PolarHBondContact OG1-N 2.87Å; G455-I475 WeakPolarHBondContact O-CB 3.38Å; G455-I475 PolarHBondContact O-N 3.25Å; G455-I475 VanDerWaalsContact O-N 3.08Å; G455-Q480 WeakPolarHBondContact CA-O 3.45Å; G455-Q480 PolarHBondContact N-O 2.81Å
456	W	96.9	Very high	95.6	Very high	47 Å²	47	26.4 Å²	26.4	18%	0.178	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	149.1	169.9	-60.9	76.9	0	0	0	110.4	T40 F42 G451 T452 E472 L473 Q474 I482	T40-W456 HydrophobicContact CG2-CH2 4.42Å; T40-W456 HydrophobicContact CG2-CZ3 4.05Å; F42-W456 HydrophobicContact CD1-CH2 4.18Å; F42-W456 HydrophobicContact CE1-CH2 4.05Å; G451-W456 WeakPolarHBondContact CA-O 3.41Å; T452-W456 HydrophobicContact CG2-CB 4Å; T452-W456 PolarHBondContact N-O 3.25Å; T452-W456 WeakPolarHBondContact OG1-CB 3.35Å; T452-W456 PolarHBondContact OG1-N 3.06Å; T452-W456 PolarHBondContact OG1-O 2.03Å; W456-E472 HydrophobicContact CE3-CB 4.49Å; W456-E472 HydrophobicContact CE3-CG 4.41Å; W456-E472 HydrophobicContact CZ3-CG 4.35Å; W456-L473 WeakPolarHBondContact CA-O 3.06Å; W456-Q474 HydrophobicContact CD2-CB 4.2Å; W456-Q474 HydrophobicContact CD2-CG 4.35Å; W456-Q474 HydrophobicContact CE3-CB 3.85Å; W456-Q474 HydrophobicContact CE3-CG 4.47Å; W456-Q474 HydrophobicContact CH2-CB 3.77Å; W456-Q474 HydrophobicContact CH2-CG 4.06Å; W456-Q474 HydrophobicContact CZ2-CB 4.11Å; W456-Q474 HydrophobicContact CZ2-CG 3.9Å; W456-Q474 HydrophobicContact CZ3-CB 3.64Å; W456-Q474 HydrophobicContact CZ3-CG 4.34Å; W456-I482 WeakPolarHBondContact O-CD1 3.05Å
457	L	98	Very high	95.4	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.7	169.4	-178.1	71.7	0	0	0	108.6	F449 L450 E472 L473 I475 M485 I494 I496 V505	F449-L457 HydrophobicContact CB-CD1 4.27Å; L450-L457 CarbonylContact O-C 3.52Å; L450-L457 WeakPolarHBondContact O-CA 3.3Å; L457-E472 CarbonylContact O-C 3.56Å; L457-E472 WeakPolarHBondContact O-CA 3.37Å; L457-L473 HydrophobicContact CB-CD1 4.4Å; L457-L473 HydrophobicContact CD2-CD1 4.3Å; L457-L473 HydrophobicContact CG-CD1 4.48Å; L457-L473 PolarHBondContact N-O 3.13Å; L457-L473 WeakPolarHBondContact O-CD1 3.05Å; L457-L473 PolarHBondContact O-N 3.18Å; L457-I475 HydrophobicContact CB-CD1 3.73Å; L457-I475 HydrophobicContact CB-CG1 3.72Å; L457-I475 HydrophobicContact CD2-CD1 4.3Å; L457-M485 HydrophobicContact CD1-CE 3.5Å; L457-M485 VanDerWaalsContact CD1-CE 3.5Å; L457-M485 HydrophobicContact CD1-SD 4.24Å; L457-I494 HydrophobicContact CD2-CD1 3.91Å; L457-I496 HydrophobicContact CB-CD1 4.44Å; L457-I496 HydrophobicContact CD1-CD1 3.91Å; L457-I496 HydrophobicContact CD2-CD1 3.81Å; L457-I496 HydrophobicContact CG-CD1 4.28Å; L457-V505 HydrophobicContact CD2-CG1 4.27Å
458	H	98.1	Very high	95.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.019	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.5	168.2	-60.5	-179.9	0	0	0	109	Y429 L450 I469 E472	Y429-H458 HydrophobicContact CE1-CB 4.5Å; Y429-H458 AromaticContact CE1-CE1 3.98Å; Y429-H458 AromaticContact CE1-ND1 3.52Å; Y429-H458 AromaticContact CZ-ND1 3.64Å; Y429-H458 PolarHBondContact OH-ND1 3.23Å; L450-H458 HydrophobicContact CB-CB 4.35Å; L450-H458 PolarHBondContact N-O 3.42Å; L450-H458 PolarHBondContact O-N 3.12Å; H458-I469 HydrophobicContact CB-CG2 4.16Å; H458-E472 VanDerWaalsContact CD2-CB 3.42Å; H458-E472 WeakPolarHBondContact CD2-CB 3.46Å; H458-E472 IonicContact NE2-OE2 3.7Å
459	K	98.3	Very high	95.2	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.9	168.5	176.7	-178.9	174.3	-178.8	0	108.3	V447 F449 I469 I470 E471 M507 D524	V447-K459 HydrophobicContact CG1-CG 4.32Å; F449-K459 HydrophobicContact CD1-CB 4.3Å; F449-K459 HydrophobicContact CD1-CG 4.2Å; F449-K459 HydrophobicContact CE1-CB 4.35Å; F449-K459 HydrophobicContact CE1-CD 4.1Å; F449-K459 HydrophobicContact CE1-CG 3.82Å; K459-I469 CarbonylContact O-C 3.6Å; K459-I470 HydrophobicContact CD-CD1 4.39Å; K459-I470 HydrophobicContact CG-CB 4.43Å; K459-I470 HydrophobicContact CG-CD1 4.21Å; K459-I470 PolarHBondContact O-N 2.88Å; K459-E471 HydrophobicContact CB-CG 4.04Å; K459-E471 HydrophobicContact CD-CG 4.38Å; K459-E471 PolarHBondContact N-O 3.2Å; K459-E471 PolarHBondContact O-N 3.5Å; K459-M507 WeakPolarHBondContact CE-O 3.29Å; K459-M507 PolarHBondContact NZ-O 2.75Å; K459-D524 WeakPolarHBondContact CE-OD1 3.43Å; K459-D524 IonicContact NZ-OD1 3.59Å; K459-D524 PolarHBondContact NZ-OD1 2.93Å; K459-D524 IonicContact NZ-OD2 3.51Å; K459-D524 PolarHBondContact NZ-OD2 3.28Å
460	A	97.8	Very high	95.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.7	179.8	0	0	0	0	0	112.4	V447 L448 T467 H468 I469	V447-A460 CarbonylContact C-O 3.58Å; V447-A460 WeakPolarHBondContact CA-O 3.46Å; V447-A460 WeakPolarHBondContact CG1-O 3.32Å; L448-A460 HydrophobicContact CB-CB 4.4Å; L448-A460 PolarHBondContact N-O 3.3Å; L448-A460 PolarHBondContact O-N 2.88Å; A460-T467 HydrophobicContact CB-CG2 3.71Å; A460-H468 CarbonylContact C-O 3.55Å; A460-H468 WeakPolarHBondContact CA-O 3.49Å; A460-H468 WeakPolarHBondContact CB-O 3.34Å; A460-I469 HydrophobicContact CB-CB 4.41Å; A460-I469 HydrophobicContact CB-CG1 4.17Å
461	V	97.4	Very high	95	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.6	176.1	60.6	0	0	0	0	110.4	Y445 V447 V463 H468 I470 P525 I550	Y445-V461 HydrophobicContact CD1-CG2 4.06Å; Y445-V461 HydrophobicContact CG-CG2 4.35Å; V447-V461 HydrophobicContact CG2-CG2 4.39Å; V461-V463 HydrophobicContact CG1-CG2 4.09Å; V461-V463 HydrophobicContact CG2-CG2 4.01Å; V461-H468 HydrophobicContact CG1-CB 4.06Å; V461-H468 PolarHBondContact N-O 2.91Å; V461-H468 PolarHBondContact O-N 2.83Å; V461-I470 HydrophobicContact CB-CD1 3.99Å; V461-I470 HydrophobicContact CG1-CD1 3.93Å; V461-I470 HydrophobicContact CG1-CG1 4.07Å; V461-P525 HydrophobicContact CB-CG 4.34Å; V461-P525 HydrophobicContact CG2-CG 3.66Å; V461-I550 HydrophobicContact CG2-CG2 4.23Å
462	E	95.1	Very high	94.9	Very high	37 Å²	37	29.3 Å²	29.3	17%	0.173	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.1	169.6	-178.4	178.7	-148	0	0	109.6	Q342 L421 T446 E466	Q342-E462 PolarHBondContact NE2-OE1 3.28Å; L421-E462 HydrophobicContact CD1-CG 4.06Å; T446-E462 WeakPolarHBondContact CB-OE2 3.31Å; T446-E462 PolarHBondContact O-N 3.48Å; T446-E462 PolarHBondContact OG1-OE2 2.95Å; E462-E466 WeakPolarHBondContact CA-O 3.26Å
463	V	92.6	Very high	94.8	Very high	10 Å²	10	29.2 Å²	29.2	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	127	175.8	-172.2	0	0	0	0	109	Y445 V461 G465 E466 I550	Y445-V463 HydrophobicContact CD1-CG2 4.23Å; Y445-V463 HydrophobicContact CE1-CG1 4.37Å; Y445-V463 HydrophobicContact CE1-CG2 4.09Å; V461-V463 HydrophobicContact CG1-CG2 4.09Å; V461-V463 HydrophobicContact CG2-CG2 4.01Å; V463-G465 PolarHBondContact O-N 3.25Å; V463-E466 PolarHBondContact N-O 3.12Å; V463-E466 PolarHBondContact O-N 2.91Å; V463-I550 HydrophobicContact CG2-CG2 3.84Å
464	D	87.6	Confident	94.8	Very high	155 Å²	155	28.8 Å²	28.8	83%	0.829	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	26.3	178.9	-58.6	-26.2	0	0	0	115
465	G	84.7	Confident	94.6	Very high	29 Å²	29	24.8 Å²	24.8	30%	0.299	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	3.3	-177.8	0	0	0	0	0	115	V463	V463-G465 PolarHBondContact O-N 3.25Å
466	E	86.9	Confident	94.3	Very high	123 Å²	123	25.2 Å²	25.2	58%	0.575	13%	0.13	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	158.1	174.8	-61.1	-170.5	157.5	0	0	111.5	E462 V463	E462-E466 WeakPolarHBondContact CA-O 3.26Å; V463-E466 PolarHBondContact N-O 3.12Å; V463-E466 PolarHBondContact O-N 2.91Å
467	T	93.2	Very high	93.8	Very high	13 Å²	13	25.9 Å²	25.9	8%	0.08	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.1	179.9	-59.8	0	0	0	0	111	V35 L421 M422 L448 A460	V35-T467 WeakPolarHBondContact CG1-O 3.49Å; L421-T467 WeakPolarHBondContact CD1-OG1 3.16Å; L421-T467 WeakPolarHBondContact CG-OG1 3.2Å; L421-T467 PolarHBondContact O-OG1 2.89Å; M422-T467 HydrophobicContact CB-CG2 4.32Å; M422-T467 HydrophobicContact CE-CG2 4.37Å; M422-T467 HydrophobicContact CG-CG2 4.06Å; M422-T467 HydrophobicContact SD-CG2 4.13Å; L448-T467 HydrophobicContact CD1-CG2 4.39Å; A460-T467 HydrophobicContact CB-CG2 3.71Å
468	H	94.9	Very high	93.5	Very high	17 Å²	17	34.1 Å²	34.1	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.4	168.9	176.5	67.9	0	0	0	110.3	A460 V461 I470	A460-H468 CarbonylContact C-O 3.55Å; A460-H468 WeakPolarHBondContact CA-O 3.49Å; A460-H468 WeakPolarHBondContact CB-O 3.34Å; V461-H468 HydrophobicContact CG1-CB 4.06Å; V461-H468 PolarHBondContact N-O 2.91Å; V461-H468 PolarHBondContact O-N 2.83Å; H468-I470 PolarHBondContact O-N 2.92Å
469	I	96.8	Very high	93.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	113	172.1	-54.5	169.5	0	0	0	108.9	V35 P37 R38 M422 H458 K459 A460	V35-I469 HydrophobicContact CB-CD1 4.13Å; V35-I469 HydrophobicContact CB-CG1 4.32Å; V35-I469 HydrophobicContact CG1-CB 4.41Å; V35-I469 HydrophobicContact CG1-CD1 3.97Å; V35-I469 HydrophobicContact CG1-CG1 3.76Å; V35-I469 VanDerWaalsContact O-CD1 3.25Å; V35-I469 WeakPolarHBondContact O-CD1 3.33Å; P37-I469 HydrophobicContact CB-CB 4.44Å; P37-I469 HydrophobicContact CB-CG2 3.79Å; P37-I469 HydrophobicContact CG-CD1 3.96Å; P37-I469 HydrophobicContact CG-CG2 4.12Å; R38-I469 WeakPolarHBondContact CB-O 3.38Å; R38-I469 PolarHBondContact N-O 3.44Å; M422-I469 HydrophobicContact CE-CD1 3.36Å; M422-I469 HydrophobicContact CE-CG1 3.55Å; H458-I469 HydrophobicContact CB-CG2 4.16Å; K459-I469 CarbonylContact O-C 3.6Å; A460-I469 HydrophobicContact CB-CB 4.41Å; A460-I469 HydrophobicContact CB-CG1 4.17Å
470	I	97.3	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-50.2	-178.8	-62.1	164.9	0	0	0	110.4	R38 T39 K459 V461 H468 Y513 A522 D524	R38-I470 WeakPolarHBondContact CB-O 3.26Å; T39-I470 PolarHBondContact OG1-O 2.79Å; K459-I470 HydrophobicContact CD-CD1 4.39Å; K459-I470 HydrophobicContact CG-CB 4.43Å; K459-I470 HydrophobicContact CG-CD1 4.21Å; K459-I470 PolarHBondContact O-N 2.88Å; V461-I470 HydrophobicContact CB-CD1 3.99Å; V461-I470 HydrophobicContact CG1-CD1 3.93Å; V461-I470 HydrophobicContact CG1-CG1 4.07Å; H468-I470 PolarHBondContact O-N 2.92Å; I470-Y513 VanDerWaalsContact CG2-OH 3.31Å; I470-Y513 WeakPolarHBondContact CG2-OH 3.46Å; I470-A522 WeakPolarHBondContact CG2-O 3.37Å; I470-D524 HydrophobicContact CD1-CB 4.26Å; I470-D524 HydrophobicContact CG2-CB 4.09Å
471	E	95.5	Very high	93.1	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.028	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	147.5	178.2	54.5	175.4	176.4	0	0	111.3	T39 K459 L473 R512	T39-E471 CarbonylContact O-C 3.59Å; T39-E471 WeakPolarHBondContact O-CA 3.21Å; T39-E471 WeakPolarHBondContact OG1-CB 3.32Å; K459-E471 HydrophobicContact CB-CG 4.04Å; K459-E471 HydrophobicContact CD-CG 4.38Å; K459-E471 PolarHBondContact N-O 3.2Å; K459-E471 PolarHBondContact O-N 3.5Å; E471-L473 HydrophobicContact CG-CD1 3.83Å; E471-L473 HydrophobicContact CG-CG 4.36Å; E471-R512 IonicContact OE1-NH1 3.62Å; E471-R512 IonicContact OE2-CZ 3.94Å; E471-R512 IonicContact OE2-NH1 3.7Å; E471-R512 PolarHBondContact OE2-NH1 3.19Å
472	E	96.3	Very high	93.1	Very high	34 Å²	34	42.5 Å²	42.5	16%	0.159	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.1	161.2	66	-175.8	146.9	0	0	109.4	P37 T39 T40 I41 W456 L457 H458	P37-E472 HydrophobicContact CB-CB 3.87Å; P37-E472 HydrophobicContact CB-CG 3.74Å; P37-E472 HydrophobicContact CG-CB 4.04Å; P37-E472 HydrophobicContact CG-CG 4.09Å; T39-E472 PolarHBondContact O-N 3.29Å; T40-E472 WeakPolarHBondContact CB-OE1 3.28Å; T40-E472 HydrophobicContact CG2-CG 3.85Å; T40-E472 WeakPolarHBondContact CG2-OE1 3.4Å; T40-E472 PolarHBondContact OG1-OE1 2.98Å; I41-E472 PolarHBondContact N-O 2.8Å; W456-E472 HydrophobicContact CE3-CB 4.49Å; W456-E472 HydrophobicContact CE3-CG 4.41Å; W456-E472 HydrophobicContact CZ3-CG 4.35Å; L457-E472 CarbonylContact O-C 3.56Å; L457-E472 WeakPolarHBondContact O-CA 3.37Å; H458-E472 VanDerWaalsContact CD2-CB 3.42Å; H458-E472 WeakPolarHBondContact CD2-CB 3.46Å; H458-E472 IonicContact NE2-OE2 3.7Å
473	L	95.9	Very high	93.2	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.5	-177.6	-49.2	94.5	0	0	0	110.5	I41 F46 W456 L457 E471 I475	I41-L473 HydrophobicContact CB-CB 4.48Å; I41-L473 HydrophobicContact CB-CG 4.27Å; I41-L473 HydrophobicContact CG1-CG 4.43Å; I41-L473 WeakPolarHBondContact O-CA 3.27Å; F46-L473 HydrophobicContact CD2-CB 4.1Å; F46-L473 HydrophobicContact CD2-CD2 3.84Å; F46-L473 HydrophobicContact CE2-CB 4.3Å; F46-L473 HydrophobicContact CE2-CD2 4.04Å; W456-L473 WeakPolarHBondContact CA-O 3.06Å; L457-L473 HydrophobicContact CB-CD1 4.4Å; L457-L473 HydrophobicContact CD2-CD1 4.3Å; L457-L473 HydrophobicContact CG-CD1 4.48Å; L457-L473 PolarHBondContact N-O 3.13Å; L457-L473 WeakPolarHBondContact O-CD1 3.05Å; L457-L473 PolarHBondContact O-N 3.18Å; E471-L473 HydrophobicContact CG-CD1 3.83Å; E471-L473 HydrophobicContact CG-CG 4.36Å; L473-I475 HydrophobicContact CB-CD1 3.93Å; L473-I475 PolarHBondContact O-N 3.05Å; L473-I475 VanDerWaalsContact O-N 3.12Å
474	Q	94.9	Very high	93.4	Very high	37 Å²	37	42.8 Å²	42.8	17%	0.173	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	90.9	173.4	-168.9	-170.2	17.5	0	0	109.8	I41 H43 W456 F476	I41-Q474 PolarHBondContact O-N 3.17Å; H43-Q474 WeakPolarHBondContact CA-O 3.1Å; H43-Q474 HydrophobicContact CB-CB 4.4Å; H43-Q474 HydrophobicContact CB-CG 4.22Å; W456-Q474 HydrophobicContact CD2-CB 4.2Å; W456-Q474 HydrophobicContact CD2-CG 4.35Å; W456-Q474 HydrophobicContact CE3-CB 3.85Å; W456-Q474 HydrophobicContact CE3-CG 4.47Å; W456-Q474 HydrophobicContact CH2-CB 3.77Å; W456-Q474 HydrophobicContact CH2-CG 4.06Å; W456-Q474 HydrophobicContact CZ2-CB 4.11Å; W456-Q474 HydrophobicContact CZ2-CG 3.9Å; W456-Q474 HydrophobicContact CZ3-CB 3.64Å; W456-Q474 HydrophobicContact CZ3-CG 4.34Å; Q474-F476 VanDerWaalsContact C-N 3.29Å; Q474-F476 WeakPolarHBondContact CG-O 3.4Å; Q474-F476 PolarHBondContact NE2-O 3.3Å; Q474-F476 PolarHBondContact O-N 3.1Å
475	I	92.7	Very high	93.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.			trans	-66.4	-31.9	-175.1	-52.2	-57.3	0	0	0	111.7	H43 F46 G455 L457 L473 I496 I503 V505	H43-I475 PolarHBondContact CD2-O 3.43Å; F46-I475 HydrophobicContact CD2-CD1 4.2Å; F46-I475 HydrophobicContact CE1-CD1 4.48Å; F46-I475 HydrophobicContact CE2-CD1 3.32Å; F46-I475 HydrophobicContact CZ-CD1 3.49Å; F46-I475 VanDerWaalsContact CZ-CD1 3.49Å; F46-I475 HydrophobicContact CZ-CG2 4.29Å; G455-I475 WeakPolarHBondContact O-CB 3.38Å; G455-I475 PolarHBondContact O-N 3.25Å; G455-I475 VanDerWaalsContact O-N 3.08Å; L457-I475 HydrophobicContact CB-CD1 3.73Å; L457-I475 HydrophobicContact CB-CG1 3.72Å; L457-I475 HydrophobicContact CD2-CD1 4.3Å; L473-I475 HydrophobicContact CB-CD1 3.93Å; L473-I475 PolarHBondContact O-N 3.05Å; L473-I475 VanDerWaalsContact O-N 3.12Å; I475-I496 HydrophobicContact CG1-CD1 4.45Å; I475-I503 HydrophobicContact CG2-CB 4.21Å; I475-I503 HydrophobicContact CG2-CD1 3.85Å; I475-I503 HydrophobicContact CG2-CG2 4.23Å; I475-V505 HydrophobicContact CD1-CG2 4.16Å
476	F	88.6	Confident	94.4	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.039	20%	0.197	C	C	.	.			trans	-129	134.9	-176.6	-56.5	-73.3	0	0	0	113.3	Q474 K478 Q480 I482 I503	Q474-F476 VanDerWaalsContact C-N 3.29Å; Q474-F476 WeakPolarHBondContact CG-O 3.4Å; Q474-F476 PolarHBondContact NE2-O 3.3Å; Q474-F476 PolarHBondContact O-N 3.1Å; F476-K478 VanDerWaalsContact C-N 3.34Å; F476-K478 WeakPolarHBondContact CB-O 3.41Å; F476-K478 PolarHBondContact O-N 3.05Å; F476-Q480 HydrophobicContact CB-CG 3.96Å; F476-Q480 HydrophobicContact CD1-CG 4.49Å; F476-Q480 HydrophobicContact CD2-CG 3.85Å; F476-Q480 HydrophobicContact CE2-CG 4.48Å; F476-Q480 HydrophobicContact CG-CG 3.86Å; F476-I482 HydrophobicContact CE2-CG1 4.33Å; F476-I503 HydrophobicContact CD1-CD1 3.88Å; F476-I503 HydrophobicContact CE1-CD1 3.47Å; F476-I503 VanDerWaalsContact CE1-CD1 3.47Å; F476-I503 HydrophobicContact CE1-CG1 4.04Å; F476-I503 HydrophobicContact CZ-CD1 4.17Å; F476-I503 HydrophobicContact CZ-CG1 4.49Å
477	A	87.3	Confident	94.8	Very high	62 Å²	62	32.4 Å²	32.4	51%	0.512	18%	0.179	S	C	.	.	S	Bend	trans	-70.4	-28.4	-177.7	0	0	0	0	0	113.7	H43	H43-A477 HydrophobicContact CB-CB 4.46Å; H43-A477 PolarHBondContact CD2-N 2.92Å; H43-A477 PolarHBondContact NE2-N 2.83Å
478	K	91.7	Very high	94.9	Very high	175 Å²	175	31.8 Å²	31.8	76%	0.761	18%	0.176	S	C	*	.	S	Bend	trans	-103.4	132.5	167.6	-65.5	-172.6	179.6	-175.8	0	107.7	F476 Q480	F476-K478 VanDerWaalsContact C-N 3.34Å; F476-K478 WeakPolarHBondContact CB-O 3.41Å; F476-K478 PolarHBondContact O-N 3.05Å; K478-Q480 PolarHBondContact O-N 3.09Å
479	P	95	Very high	94.8	Very high	96 Å²	96	33.4 Å²	33.4	62%	0.623	19%	0.191	S	C	*	.			trans	-58.4	129.6	177.1	-25.9	35	0	0	0	112.2	E454	E454-P479 HydrophobicContact CB-CB 4.22Å; E454-P479 HydrophobicContact CG-CB 4.3Å; E454-P479 VanDerWaalsContact O-CA 3.23Å; E454-P479 WeakPolarHBondContact O-CA 3.48Å
480	Q	94.9	Very high	94.6	Very high	25 Å²	25	38 Å²	38	12%	0.117	22%	0.219	C	C	.	.			trans	-157.9	142.4	176.4	54.3	180	-28.1	0	0	109.8	E454 G455 F476 K478 S498 S500	E454-Q480 CarbonylContact C-O 3.59Å; E454-Q480 VanDerWaalsContact C-O 3.27Å; E454-Q480 PolarHBondContact O-N 3.06Å; G455-Q480 WeakPolarHBondContact CA-O 3.45Å; G455-Q480 PolarHBondContact N-O 2.81Å; F476-Q480 HydrophobicContact CB-CG 3.96Å; F476-Q480 HydrophobicContact CD1-CG 4.49Å; F476-Q480 HydrophobicContact CD2-CG 3.85Å; F476-Q480 HydrophobicContact CE2-CG 4.48Å; F476-Q480 HydrophobicContact CG-CG 3.86Å; K478-Q480 PolarHBondContact O-N 3.09Å; Q480-S498 VanDerWaalsContact CD-OG 3.32Å; Q480-S498 VanDerWaalsContact CG-OG 3.28Å; Q480-S498 WeakPolarHBondContact CG-OG 3.42Å; Q480-S498 PolarHBondContact OE1-OG 3.45Å; Q480-S500 PolarHBondContact NE2-OG 3.47Å
481	P	96.3	Very high	94.4	Very high	58 Å²	58	41 Å²	41	38%	0.377	23%	0.233	S	C	.	.			trans	-66.7	143.3	-175.5	27.7	-35.8	0	0	0	111.7	D453 E483 S498	D453-P481 VanDerWaalsContact O-CA 3.29Å; D453-P481 WeakPolarHBondContact O-CA 3.3Å; P481-E483 PolarHBondContact O-N 3Å; P481-S498 WeakPolarHBondContact O-CB 3.42Å; P481-S498 PolarHBondContact O-OG 3.33Å
482	I	97.8	Very high	94.3	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	112.1	165.7	-70.7	170.8	0	0	0	107.9	V430 K431 T452 W456 F476 S484 M485 I496	V430-I482 HydrophobicContact CG2-CB 4.42Å; V430-I482 VanDerWaalsContact CG2-O 3.3Å; V430-I482 WeakPolarHBondContact CG2-O 3.06Å; K431-I482 HydrophobicContact CB-CG2 4.16Å; K431-I482 HydrophobicContact CG-CG2 3.94Å; T452-I482 PolarHBondContact O-N 3Å; W456-I482 WeakPolarHBondContact O-CD1 3.05Å; F476-I482 HydrophobicContact CE2-CG1 4.33Å; I482-S484 WeakPolarHBondContact CG2-O 3.29Å; I482-M485 HydrophobicContact CD1-CE 4.45Å; I482-M485 HydrophobicContact CG2-CE 4.13Å; I482-I496 HydrophobicContact CB-CG2 4.29Å; I482-I496 HydrophobicContact CD1-CG2 3.79Å; I482-I496 HydrophobicContact CG1-CG2 3.68Å; I482-I496 HydrophobicContact CG2-CG2 3.68Å
483	E	95.8	Very high	94.2	Very high	46 Å²	46	41.9 Å²	41.9	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-33.7	-176.9	-64.6	-177.1	164.1	0	0	111.4	N59 Y60 S61 K431 P481 G497	N59-E483 WeakPolarHBondContact CA-OE2 3.29Å; N59-E483 PolarHBondContact ND2-OE1 2.69Å; Y60-E483 PolarHBondContact N-OE2 2.94Å; S61-E483 WeakPolarHBondContact CB-OE2 3.37Å; S61-E483 PolarHBondContact N-OE2 2.89Å; K431-E483 VanDerWaalsContact CE-O 3.31Å; K431-E483 WeakPolarHBondContact CE-O 3.49Å; P481-E483 PolarHBondContact O-N 3Å; E483-G497 PolarHBondContact N-O 3.46Å
484	S	96.8	Very high	94.2	Very high	8 Å²	8	41.8 Å²	41.8	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.9	-176.1	63.7	0	0	0	0	112.1	Y60 L63 I482 G497	Y60-S484 PolarHBondContact O-OG 3.45Å; L63-S484 VanDerWaalsContact CD1-OG 3.27Å; L63-S484 WeakPolarHBondContact CD1-OG 3.48Å; L63-S484 WeakPolarHBondContact CG-OG 3.38Å; I482-S484 WeakPolarHBondContact CG2-O 3.29Å; S484-G497 PolarHBondContact N-O 2.97Å; S484-G497 VanDerWaalsContact N-O 3.12Å; S484-G497 PolarHBondContact O-N 3.39Å; S484-G497 VanDerWaalsContact OG-CA 3.28Å; S484-G497 WeakPolarHBondContact OG-CA 3.39Å; S484-G497 PolarHBondContact OG-N 2.9Å
485	M	97.5	Very high	94.3	Very high	23 Å²	23	40 Å²	40	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	133.3	179	-172.9	-179.8	-60.9	0	0	110.2	K431 A433 F449 L457 I482 I494 Y495 I496	K431-M485 HydrophobicContact CB-CB 4.15Å; K431-M485 HydrophobicContact CB-CE 4.13Å; K431-M485 HydrophobicContact CG-CB 4.46Å; A433-M485 HydrophobicContact CB-CG 4.35Å; A433-M485 HydrophobicContact CB-SD 3.97Å; F449-M485 HydrophobicContact CB-SD 4.13Å; L457-M485 HydrophobicContact CD1-CE 3.5Å; L457-M485 VanDerWaalsContact CD1-CE 3.5Å; L457-M485 HydrophobicContact CD1-SD 4.24Å; I482-M485 HydrophobicContact CD1-CE 4.45Å; I482-M485 HydrophobicContact CG2-CE 4.13Å; M485-I494 HydrophobicContact CG-CG2 3.78Å; M485-I494 HydrophobicContact SD-CG2 4.16Å; M485-Y495 WeakPolarHBondContact CA-O 3.46Å; M485-I496 HydrophobicContact CE-CD1 4.27Å; M485-I496 HydrophobicContact CE-CG1 4.43Å; M485-I496 HydrophobicContact CG-CG1 4.33Å
486	V	96.9	Very high	94.6	Very high	34 Å²	34	40 Å²	40	21%	0.206	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.7	170.6	-64.8	0	0	0	0	110.8	L63 L65 L72 Y495	L63-V486 HydrophobicContact CB-CG1 4.02Å; L63-V486 HydrophobicContact CB-CG2 4.06Å; L63-V486 HydrophobicContact CD1-CG2 4Å; L65-V486 HydrophobicContact CB-CB 4.39Å; L65-V486 HydrophobicContact CB-CG2 4Å; L65-V486 HydrophobicContact CD2-CG2 4.49Å; L72-V486 HydrophobicContact CD1-CG2 3.95Å; V486-Y495 HydrophobicContact CG2-CD2 4.21Å; V486-Y495 PolarHBondContact N-O 3.21Å; V486-Y495 PolarHBondContact O-N 3.06Å
487	T	95.8	Very high	95	Very high	32 Å²	32	39.6 Å²	39.6	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.9	-177.3	45.2	0	0	0	0	111.4	L65 A433 F449 I494 M507	L65-T487 WeakPolarHBondContact CD2-O 3.42Å; A433-T487 HydrophobicContact CB-CG2 3.56Å; F449-T487 HydrophobicContact CD2-CG2 3.99Å; F449-T487 HydrophobicContact CE2-CG2 4.34Å; T487-I494 HydrophobicContact CG2-CG1 4.31Å; T487-I494 HydrophobicContact CG2-CG2 4.09Å; T487-M507 HydrophobicContact CG2-CE 4.01Å
488	S	95.2	Very high	95.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.6	168	176.8	0	0	0	0	110.3	E67 V490 Q491 R492 S493 M507	E67-S488 VanDerWaalsContact OE1-C 3.28Å; E67-S488 WeakPolarHBondContact OE1-CA 3.42Å; E67-S488 VanDerWaalsContact OE1-CB 3.26Å; E67-S488 WeakPolarHBondContact OE1-CB 3.49Å; E67-S488 PolarHBondContact OE1-OG 3.07Å; S488-V490 PolarHBondContact OG-N 2.84Å; S488-Q491 WeakPolarHBondContact OG-CB 3.33Å; S488-Q491 PolarHBondContact OG-N 3.41Å; S488-R492 VanDerWaalsContact O-CA 3.3Å; S488-R492 WeakPolarHBondContact O-CA 3.34Å; S488-R492 PolarHBondContact O-N 3.31Å; S488-R492 VanDerWaalsContact O-N 3.14Å; S488-S493 PolarHBondContact N-O 2.93Å; S488-S493 PolarHBondContact O-N 3.44Å; S488-M507 WeakPolarHBondContact O-CE 3.34Å
489	A	92.1	Very high	95.5	Very high	50 Å²	50	31.5 Å²	31.5	41%	0.413	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-33.2	170.2	0	0	0	0	0	111.2	E67 R492	E67-A489 PolarHBondContact OE1-N 3.1Å; A489-R492 VanDerWaalsContact O-CG 3.27Å; A489-R492 WeakPolarHBondContact O-CG 3.45Å; A489-R492 PolarHBondContact O-N 2.9Å
490	V	92.7	Very high	95.4	Very high	96 Å²	96	29.5 Å²	29.5	58%	0.582	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-48.2	179.3	175.8	0	0	0	0	111.6	E67 S488 R492	E67-V490 HydrophobicContact CB-CB 4.36Å; E67-V490 HydrophobicContact CB-CG2 4Å; E67-V490 HydrophobicContact CG-CG2 4.46Å; E67-V490 PolarHBondContact OE1-N 2.89Å; S488-V490 PolarHBondContact OG-N 2.84Å; V490-R492 VanDerWaalsContact C-N 3.29Å
491	Q	92.4	Very high	95.3	Very high	63 Å²	63	28.4 Å²	28.4	29%	0.294	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.9	177.9	-55.7	-68.7	-23.8	0	0	112.8	T85 S488 S493 Y495	T85-Q491 PolarHBondContact OG1-NE2 2.78Å; S488-Q491 WeakPolarHBondContact OG-CB 3.33Å; S488-Q491 PolarHBondContact OG-N 3.41Å; Q491-S493 WeakPolarHBondContact O-CB 3.27Å; Q491-S493 PolarHBondContact O-N 3.2Å; Q491-S493 PolarHBondContact O-OG 2.97Å; Q491-Y495 WeakPolarHBondContact CB-OH 3.36Å
492	R	93.4	Very high	95.2	Very high	52 Å²	52	25.7 Å²	25.7	20%	0.196	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	44.1	-175.7	-61.1	178.4	65.8	81	-12.9	112.3	E437 S488 A489 V490 M507 E536	E437-R492 IonicContact OE1-CZ 3.53Å; E437-R492 VanDerWaalsContact OE1-CZ 3.22Å; E437-R492 IonicContact OE1-NH1 3.47Å; E437-R492 PolarHBondContact OE1-NH1 2.99Å; E437-R492 IonicContact OE1-NH2 3.4Å; E437-R492 PolarHBondContact OE1-NH2 2.77Å; E437-R492 IonicContact OE2-NH1 3.66Å; E437-R492 PolarHBondContact OE2-NH1 2.85Å; S488-R492 VanDerWaalsContact O-CA 3.3Å; S488-R492 WeakPolarHBondContact O-CA 3.34Å; S488-R492 PolarHBondContact O-N 3.31Å; S488-R492 VanDerWaalsContact O-N 3.14Å; A489-R492 VanDerWaalsContact O-CG 3.27Å; A489-R492 WeakPolarHBondContact O-CG 3.45Å; A489-R492 PolarHBondContact O-N 2.9Å; V490-R492 VanDerWaalsContact C-N 3.29Å; R492-M507 WeakPolarHBondContact O-CB 3.44Å; R492-M507 WeakPolarHBondContact O-CG 3.4Å; R492-M507 PolarHBondContact O-N 2.67Å; R492-E536 IonicContact CZ-OE1 2.71Å; R492-E536 VanDerWaalsContact CZ-OE1 3.24Å; R492-E536 IonicContact CZ-OE2 3.81Å; R492-E536 VanDerWaalsContact NE-CD 3.29Å; R492-E536 IonicContact NE-OE1 3.52Å; R492-E536 PolarHBondContact NE-OE1 3.44Å; R492-E536 IonicContact NE-OE2 3.2Å; R492-E536 PolarHBondContact NE-OE2 3.35Å; R492-E536 IonicContact NH2-OE1 3.19Å; R492-E536 PolarHBondContact NH2-OE1 3.13Å; R492-E536 IonicContact NH2-OE2 2.75Å
493	S	94.8	Very high	95.1	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.049	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.6	-167	-72	0	0	0	0	111.5	S488 Q491 Q504 V505	S488-S493 PolarHBondContact N-O 2.93Å; S488-S493 PolarHBondContact O-N 3.44Å; Q491-S493 WeakPolarHBondContact O-CB 3.27Å; Q491-S493 PolarHBondContact O-N 3.2Å; Q491-S493 PolarHBondContact O-OG 2.97Å; S493-Q504 PolarHBondContact OG-NE2 3.32Å; S493-V505 CarbonylContact C-O 3.32Å; S493-V505 WeakPolarHBondContact CA-O 3.33Å
494	I	96.7	Very high	95	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.1	173.9	-40.3	166.7	0	0	0	106.8	F449 L457 M485 T487 I496 Q504 V505 M507	F449-I494 HydrophobicContact CB-CD1 4.33Å; F449-I494 HydrophobicContact CD1-CD1 3.37Å; F449-I494 HydrophobicContact CD1-CG1 4.49Å; F449-I494 HydrophobicContact CD2-CD1 4.19Å; F449-I494 HydrophobicContact CE1-CD1 3.56Å; F449-I494 HydrophobicContact CE2-CD1 4.34Å; F449-I494 HydrophobicContact CG-CD1 3.7Å; F449-I494 HydrophobicContact CZ-CD1 4.04Å; L457-I494 HydrophobicContact CD2-CD1 3.91Å; M485-I494 HydrophobicContact CG-CG2 3.78Å; M485-I494 HydrophobicContact SD-CG2 4.16Å; T487-I494 HydrophobicContact CG2-CG1 4.31Å; T487-I494 HydrophobicContact CG2-CG2 4.09Å; I494-I496 HydrophobicContact CG2-CD1 4.25Å; I494-I496 HydrophobicContact CG2-CG1 3.94Å; I494-Q504 WeakPolarHBondContact O-CA 3.38Å; I494-V505 HydrophobicContact CB-CB 4.31Å; I494-V505 HydrophobicContact CD1-CB 4.5Å; I494-V505 PolarHBondContact N-O 3.41Å; I494-V505 PolarHBondContact O-N 3.23Å; I494-M507 HydrophobicContact CG1-CG 4.01Å
495	Y	97.1	Very high	95	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.2	176.1	-52.3	-85.1	0	0	0	108.7	L63 L65 L72 T85 I88 M485 V486 Q491 I503 Q504	L63-Y495 WeakPolarHBondContact CD1-O 3.46Å; L65-Y495 HydrophobicContact CD1-CD2 4.46Å; L65-Y495 HydrophobicContact CD1-CE2 4.13Å; L72-Y495 HydrophobicContact CD1-CG 4.5Å; L72-Y495 HydrophobicContact CD2-CD1 3.62Å; L72-Y495 HydrophobicContact CD2-CD2 4.42Å; L72-Y495 HydrophobicContact CD2-CE1 4.39Å; L72-Y495 HydrophobicContact CD2-CG 3.64Å; T85-Y495 WeakPolarHBondContact CB-OH 3.5Å; T85-Y495 PolarHBondContact O-OH 3.45Å; I88-Y495 HydrophobicContact CG2-CD1 4Å; I88-Y495 HydrophobicContact CG2-CE1 3.91Å; M485-Y495 WeakPolarHBondContact CA-O 3.46Å; V486-Y495 HydrophobicContact CG2-CD2 4.21Å; V486-Y495 PolarHBondContact N-O 3.21Å; V486-Y495 PolarHBondContact O-N 3.06Å; Q491-Y495 WeakPolarHBondContact CB-OH 3.36Å; Y495-I503 WeakPolarHBondContact CA-O 3.31Å; Y495-Q504 HydrophobicContact CD1-CB 4.05Å; Y495-Q504 HydrophobicContact CD1-CG 4.13Å; Y495-Q504 HydrophobicContact CE1-CB 4.04Å; Y495-Q504 HydrophobicContact CE1-CG 3.66Å
496	I	97.6	Very high	94.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.3	-169.4	-59.8	-175.9	0	0	0	108.7	L457 I475 I482 M485 I494 V502 I503 V505	L457-I496 HydrophobicContact CB-CD1 4.44Å; L457-I496 HydrophobicContact CD1-CD1 3.91Å; L457-I496 HydrophobicContact CD2-CD1 3.81Å; L457-I496 HydrophobicContact CG-CD1 4.28Å; I475-I496 HydrophobicContact CG1-CD1 4.45Å; I482-I496 HydrophobicContact CB-CG2 4.29Å; I482-I496 HydrophobicContact CD1-CG2 3.79Å; I482-I496 HydrophobicContact CG1-CG2 3.68Å; I482-I496 HydrophobicContact CG2-CG2 3.68Å; M485-I496 HydrophobicContact CE-CD1 4.27Å; M485-I496 HydrophobicContact CE-CG1 4.43Å; M485-I496 HydrophobicContact CG-CG1 4.33Å; I494-I496 HydrophobicContact CG2-CD1 4.25Å; I494-I496 HydrophobicContact CG2-CG1 3.94Å; I496-V502 CarbonylContact O-C 3.55Å; I496-V502 VanDerWaalsContact O-CA 3.27Å; I496-V502 WeakPolarHBondContact O-CA 3.32Å; I496-I503 PolarHBondContact N-O 2.92Å; I496-I503 PolarHBondContact O-N 3.23Å; I496-V505 HydrophobicContact CD1-CG2 3.77Å; I496-V505 HydrophobicContact CG1-CG2 4.34Å
497	G	96.6	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.1	175.7	0	0	0	0	0	112.2	Y60 E483 S484	Y60-G497 CarbonylContact O-C 3.58Å; Y60-G497 WeakPolarHBondContact O-CA 3.39Å; E483-G497 PolarHBondContact N-O 3.46Å; S484-G497 PolarHBondContact N-O 2.97Å; S484-G497 VanDerWaalsContact N-O 3.12Å; S484-G497 PolarHBondContact O-N 3.39Å; S484-G497 VanDerWaalsContact OG-CA 3.28Å; S484-G497 WeakPolarHBondContact OG-CA 3.39Å; S484-G497 PolarHBondContact OG-N 2.9Å
498	S	96.2	Very high	94.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-169.6	178.9	-172	0	0	0	0	110.2	Y60 Q480 P481 S500 G501	Y60-S498 WeakPolarHBondContact CB-O 3.37Å; Y60-S498 WeakPolarHBondContact CD2-O 3.49Å; Y60-S498 PolarHBondContact N-O 3.19Å; Q480-S498 VanDerWaalsContact CD-OG 3.32Å; Q480-S498 VanDerWaalsContact CG-OG 3.28Å; Q480-S498 WeakPolarHBondContact CG-OG 3.42Å; Q480-S498 PolarHBondContact OE1-OG 3.45Å; P481-S498 WeakPolarHBondContact O-CB 3.42Å; P481-S498 PolarHBondContact O-OG 3.33Å; S498-S500 PolarHBondContact O-N 3.42Å; S498-G501 PolarHBondContact N-O 3.48Å
499	H	93.9	Very high	94.5	Very high	67 Å²	67	24.2 Å²	24.2	31%	0.31	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-39.6	-178.8	177.8	69.6	0	0	0	112.8	Q58 N59	Q58-H499 CarbonylContact C-O 3.59Å; Q58-H499 VanDerWaalsContact CA-O 3.26Å; Q58-H499 WeakPolarHBondContact CA-O 3.43Å; Q58-H499 PolarHBondContact OE1-CE1 3.48Å; N59-H499 VanDerWaalsContact CG-ND1 3.3Å; N59-H499 PolarHBondContact N-O 2.95Å; N59-H499 PolarHBondContact ND2-ND1 2.84Å; N59-H499 PolarHBondContact OD1-ND1 3.26Å
500	S	93.1	Very high	94.6	Very high	54 Å²	54	22 Å²	22	38%	0.378	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.4	-173.7	80.8	0	0	0	0	116.8	T54 Q480 S498	T54-S500 PolarHBondContact OG1-O 2.93Å; Q480-S500 PolarHBondContact NE2-OG 3.47Å; S498-S500 PolarHBondContact O-N 3.42Å
501	G	93.2	Very high	94.6	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-170.7	-175.4	0	0	0	0	0	114.5	F53 Y60 S498	F53-G501 CarbonylContact O-C 3.57Å; F53-G501 VanDerWaalsContact O-CA 3.27Å; F53-G501 WeakPolarHBondContact O-CA 3.43Å; Y60-G501 VanDerWaalsContact CD2-CA 3.42Å; Y60-G501 VanDerWaalsContact CD2-N 3.31Å; Y60-G501 VanDerWaalsContact CE2-CA 3.48Å; S498-G501 PolarHBondContact N-O 3.48Å
502	V	94.8	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.9	170.5	-177.8	0	0	0	0	109.2	F53 Y60 L63 L72 V74 I88 I496	F53-V502 PolarHBondContact N-O 3.09Å; F53-V502 PolarHBondContact O-N 2.99Å; Y60-V502 HydrophobicContact CD1-CG2 3.88Å; Y60-V502 HydrophobicContact CG-CG2 4.05Å; L63-V502 HydrophobicContact CD2-CG2 4.27Å; L72-V502 HydrophobicContact CD2-CG1 4.31Å; V74-V502 HydrophobicContact CG1-CG2 3.82Å; V74-V502 HydrophobicContact CG2-CG2 4.38Å; I88-V502 HydrophobicContact CD1-CB 4.45Å; I88-V502 HydrophobicContact CD1-CG1 4.14Å; I88-V502 WeakPolarHBondContact CD1-O 3.36Å; I496-V502 CarbonylContact O-C 3.55Å; I496-V502 VanDerWaalsContact O-CA 3.27Å; I496-V502 WeakPolarHBondContact O-CA 3.32Å
503	I	94.2	Very high	94.4	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.036	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.3	176.5	-67.3	-176.5	0	0	0	110.1	F46 W47 I475 F476 Y495 I496 V505	F46-I503 HydrophobicContact CE1-CG2 3.89Å; F46-I503 HydrophobicContact CZ-CG2 3.84Å; W47-I503 HydrophobicContact CZ2-CD1 3.98Å; I475-I503 HydrophobicContact CG2-CB 4.21Å; I475-I503 HydrophobicContact CG2-CD1 3.85Å; I475-I503 HydrophobicContact CG2-CG2 4.23Å; F476-I503 HydrophobicContact CD1-CD1 3.88Å; F476-I503 HydrophobicContact CE1-CD1 3.47Å; F476-I503 VanDerWaalsContact CE1-CD1 3.47Å; F476-I503 HydrophobicContact CE1-CG1 4.04Å; F476-I503 HydrophobicContact CZ-CD1 4.17Å; F476-I503 HydrophobicContact CZ-CG1 4.49Å; Y495-I503 WeakPolarHBondContact CA-O 3.31Å; I496-I503 PolarHBondContact N-O 2.92Å; I496-I503 PolarHBondContact O-N 3.23Å; I503-V505 HydrophobicContact CG2-CG2 4.12Å
504	Q	95.3	Very high	94.1	Very high	16 Å²	16	26.7 Å²	26.7	8%	0.075	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.7	171.8	178.1	-178.4	7	0	0	108.7	N51 T85 S86 I88 S493 I494 Y495	N51-Q504 HydrophobicContact CB-CB 4.21Å; N51-Q504 PolarHBondContact ND2-OE1 3.07Å; N51-Q504 PolarHBondContact O-N 2.83Å; T85-Q504 PolarHBondContact O-NE2 2.93Å; S86-Q504 PolarHBondContact O-NE2 3.16Å; I88-Q504 HydrophobicContact CD1-CB 3.86Å; I88-Q504 HydrophobicContact CG1-CB 3.96Å; S493-Q504 PolarHBondContact OG-NE2 3.32Å; I494-Q504 WeakPolarHBondContact O-CA 3.38Å; Y495-Q504 HydrophobicContact CD1-CB 4.05Å; Y495-Q504 HydrophobicContact CD1-CG 4.13Å; Y495-Q504 HydrophobicContact CE1-CB 4.04Å; Y495-Q504 HydrophobicContact CE1-CG 3.66Å
505	V	94.9	Very high	93.8	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.024	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.7	178.6	-164.2	0	0	0	0	108.5	F46 L457 I475 S493 I494 I496 I503	F46-V505 HydrophobicContact CE2-CG1 3.89Å; F46-V505 HydrophobicContact CE2-CG2 4.25Å; F46-V505 HydrophobicContact CZ-CG1 4.32Å; F46-V505 HydrophobicContact CZ-CG2 3.91Å; L457-V505 HydrophobicContact CD2-CG1 4.27Å; I475-V505 HydrophobicContact CD1-CG2 4.16Å; S493-V505 CarbonylContact C-O 3.32Å; S493-V505 WeakPolarHBondContact CA-O 3.33Å; I494-V505 HydrophobicContact CB-CB 4.31Å; I494-V505 HydrophobicContact CD1-CB 4.5Å; I494-V505 PolarHBondContact N-O 3.41Å; I494-V505 PolarHBondContact O-N 3.23Å; I496-V505 HydrophobicContact CD1-CG2 3.77Å; I496-V505 HydrophobicContact CG1-CG2 4.34Å; I503-V505 HydrophobicContact CG2-CG2 4.12Å
506	P	94.1	Very high	93.5	Very high	50 Å²	50	27.4 Å²	27.4	33%	0.325	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	143.3	173.1	30.3	-35.4	0	0	0	109.9	N50 S508	N50-P506 WeakPolarHBondContact OD1-CD 3.36Å; P506-S508 WeakPolarHBondContact CB-O 3.35Å; P506-S508 PolarHBondContact O-N 3.08Å
507	M	95	Very high	93.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-66.3	-18.8	177.9	-71.3	176.4	170.9	0	0	113	F449 K459 T487 S488 R492 I494 F526	F449-M507 HydrophobicContact CE2-CE 4.49Å; F449-M507 HydrophobicContact CE2-CG 4.38Å; F449-M507 HydrophobicContact CZ-CB 4.18Å; F449-M507 HydrophobicContact CZ-CG 3.97Å; K459-M507 WeakPolarHBondContact CE-O 3.29Å; K459-M507 PolarHBondContact NZ-O 2.75Å; T487-M507 HydrophobicContact CG2-CE 4.01Å; S488-M507 WeakPolarHBondContact O-CE 3.34Å; R492-M507 WeakPolarHBondContact O-CB 3.44Å; R492-M507 WeakPolarHBondContact O-CG 3.4Å; R492-M507 PolarHBondContact O-N 2.67Å; I494-M507 HydrophobicContact CG1-CG 4.01Å; M507-F526 HydrophobicContact CB-CD1 4.1Å; M507-F526 HydrophobicContact CB-CE1 3.41Å; M507-F526 VanDerWaalsContact CB-CE1 3.41Å; M507-F526 HydrophobicContact CB-CZ 3.75Å; M507-F526 HydrophobicContact CG-CE1 4.29Å; M507-F526 HydrophobicContact CG-CZ 4.43Å; M507-F526 HydrophobicContact SD-CE1 3.99Å; M507-F526 HydrophobicContact SD-CZ 4.16Å
508	S	93.7	Very high	92.9	Very high	15 Å²	15	29.4 Å²	29.4	11%	0.105	16%	0.157	C	C	.	.			trans	-138.5	148.5	174.8	82.4	0	0	0	0	111.6	P506 E536	P506-S508 WeakPolarHBondContact CB-O 3.35Å; P506-S508 PolarHBondContact O-N 3.08Å; S508-E536 VanDerWaalsContact OG-CD 3.22Å; S508-E536 PolarHBondContact OG-OE1 3.26Å
509	A	92.6	Very high	92.8	Very high	21 Å²	21	29.6 Å²	29.6	17%	0.174	16%	0.158	C	C	.	.			trans	-134.1	41.7	177.6	0	0	0	0	0	110.5	Q511 R512	A509-Q511 PolarHBondContact O-N 3.38Å; A509-R512 HydrophobicContact CB-CG 4.14Å; A509-R512 WeakPolarHBondContact O-CB 3.07Å; A509-R512 WeakPolarHBondContact O-CG 3.39Å; A509-R512 PolarHBondContact O-N 2.86Å
510	C	94.9	Very high	92.8	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.034	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-50.2	-32.1	-163.8	-51.1	0	0	0	0	114.9	R512 Y513 C527 C534	C510-R512 PolarHBondContact O-N 3.34Å; C510-R512 VanDerWaalsContact O-N 3.12Å; C510-Y513 VanDerWaalsContact O-CD2 3.26Å; C510-Y513 WeakPolarHBondContact O-CD2 3.31Å; C510-Y513 PolarHBondContact O-N 3.4Å; C510-C527 WeakPolarHBondContact CA-SG 3.45Å; C510-C527 HydrophobicContact CB-CB 3.7Å; C510-C527 WeakPolarHBondContact CB-SG 3.33Å; C510-C527 WeakPolarHBondContact SG-CA 3.49Å; C510-C527 WeakPolarHBondContact SG-CB 3.02Å; C510-C527 CovalentContact SG-SG 2.03Å; C510-C527 PolarHBondContact SG-SG 3.28Å; C510-C534 CarbonylContact C-O 3.56Å; C510-C534 VanDerWaalsContact O-CB 3.31Å; C510-C534 WeakPolarHBondContact O-CB 3.5Å
511	Q	91.7	Very high	92.9	Very high	174 Å²	174	24.2 Å²	24.2	81%	0.813	13%	0.127	S	C	*	.	G	3₁₀ helix	trans	-62	-17.2	178.4	-60.1	-178.1	13.6	0	0	113.9	A509 Y513	A509-Q511 PolarHBondContact O-N 3.38Å; Q511-Y513 PolarHBondContact O-N 2.82Å
512	R	90.2	Very high	93	Very high	63 Å²	63	24.1 Å²	24.1	24%	0.238	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-61.1	-31.5	171	-70.8	-179.9	178.9	151.2	5.7	112.3	E471 A509 C510 T514 R586	E471-R512 IonicContact OE1-NH1 3.62Å; E471-R512 IonicContact OE2-CZ 3.94Å; E471-R512 IonicContact OE2-NH1 3.7Å; E471-R512 PolarHBondContact OE2-NH1 3.19Å; A509-R512 HydrophobicContact CB-CG 4.14Å; A509-R512 WeakPolarHBondContact O-CB 3.07Å; A509-R512 WeakPolarHBondContact O-CG 3.39Å; A509-R512 PolarHBondContact O-N 2.86Å; C510-R512 PolarHBondContact O-N 3.34Å; C510-R512 VanDerWaalsContact O-N 3.12Å; R512-T514 PolarHBondContact O-N 2.79Å; R512-R586 PolarHBondContact O-NH1 3.18Å
513	Y	91.8	Very high	93	Very high	8 Å²	8	26 Å²	26	3%	0.031	13%	0.134	C	C	.	.			trans	-83.9	96.5	-177.2	-47.3	-58.8	0	0	0	110.3	I470 C510 Q511 S515 A522 D524 C527 C534	I470-Y513 VanDerWaalsContact CG2-OH 3.31Å; I470-Y513 WeakPolarHBondContact CG2-OH 3.46Å; C510-Y513 VanDerWaalsContact O-CD2 3.26Å; C510-Y513 WeakPolarHBondContact O-CD2 3.31Å; C510-Y513 PolarHBondContact O-N 3.4Å; Q511-Y513 PolarHBondContact O-N 2.82Å; Y513-S515 VanDerWaalsContact C-N 3.3Å; Y513-S515 PolarHBondContact O-N 2.81Å; Y513-A522 HydrophobicContact CD1-CB 3.88Å; Y513-A522 HydrophobicContact CD2-CB 4.35Å; Y513-A522 HydrophobicContact CE1-CB 3.44Å; Y513-A522 VanDerWaalsContact CE1-CB 3.44Å; Y513-A522 HydrophobicContact CE2-CB 3.95Å; Y513-A522 HydrophobicContact CG-CB 4.33Å; Y513-A522 VanDerWaalsContact CZ-CB 3.47Å; Y513-D524 HydrophobicContact CE2-CB 4.33Å; Y513-D524 PolarHBondContact OH-OD2 3.18Å; Y513-D524 VanDerWaalsContact OH-OD2 3.09Å; Y513-C527 HydrophobicContact CE2-CB 4.3Å; Y513-C534 VanDerWaalsContact O-CB 3.32Å; Y513-C534 WeakPolarHBondContact O-CB 3.12Å
514	T	88.7	Confident	93.2	Very high	70 Å²	70	25.8 Å²	25.8	43%	0.429	13%	0.132	S	C	.	.			trans	-88.1	17.8	-164.6	62.8	0	0	0	0	115	R512 D518 R586	R512-T514 PolarHBondContact O-N 2.79Å; T514-D518 PolarHBondContact N-OD2 3.03Å; T514-R586 VanDerWaalsContact OG1-CZ 3.3Å; T514-R586 PolarHBondContact OG1-NH1 3.42Å; T514-R586 PolarHBondContact OG1-NH2 2.6Å
515	S	89.5	Confident	93.3	Very high	12 Å²	12	25 Å²	25	8%	0.084	13%	0.129	C	C	.	.	S	Bend	trans	-158.7	166.3	175.6	70.2	0	0	0	0	111.4	Y513 Y517 D518 C519 W529 G564	Y513-S515 VanDerWaalsContact C-N 3.3Å; Y513-S515 PolarHBondContact O-N 2.81Å; S515-Y517 VanDerWaalsContact C-N 3.35Å; S515-Y517 PolarHBondContact O-N 3.01Å; S515-D518 PolarHBondContact O-N 2.75Å; S515-D518 WeakPolarHBondContact OG-CB 3.28Å; S515-D518 PolarHBondContact OG-N 3.34Å; S515-C519 WeakPolarHBondContact O-CB 3.44Å; S515-C519 PolarHBondContact O-N 2.82Å; S515-W529 VanDerWaalsContact C-CE3 3.46Å; S515-W529 VanDerWaalsContact CA-CZ3 3.44Å; S515-G564 VanDerWaalsContact CB-N 3.34Å
516	C	91.3	Very high	93.4	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.034	13%	0.128	C	C	.	.	H	α-helix	trans	-56.7	-49.5	178.3	-172.8	0	0	0	0	111.6	C519 V520 W529 C557 G562	C516-C519 WeakPolarHBondContact O-CB 3.26Å; C516-C519 PolarHBondContact O-N 2.89Å; C516-V520 WeakPolarHBondContact O-CB 3.25Å; C516-V520 WeakPolarHBondContact O-CG2 3.43Å; C516-V520 PolarHBondContact O-N 2.79Å; C516-W529 VanDerWaalsContact CA-CD2 3.44Å; C516-W529 HydrophobicContact CB-CD2 3.81Å; C516-W529 HydrophobicContact CB-CE3 4.49Å; C516-W529 HydrophobicContact CB-CG 3.87Å; C516-W529 HydrophobicContact CB-CZ2 4.24Å; C516-C557 HydrophobicContact CB-CB 3.93Å; C516-C557 WeakPolarHBondContact CB-SG 3.15Å; C516-C557 PolarHBondContact O-SG 3.41Å; C516-C557 VanDerWaalsContact O-SG 3.4Å; C516-C557 WeakPolarHBondContact SG-CA 3.27Å; C516-C557 WeakPolarHBondContact SG-CB 3.3Å; C516-C557 CovalentContact SG-SG 2.04Å; C516-C557 PolarHBondContact SG-SG 3.47Å; C516-G562 WeakPolarHBondContact CB-O 3.46Å; C516-G562 PolarHBondContact N-O 3.44Å
517	Y	90.8	Very high	93.5	Very high	32 Å²	32	22.4 Å²	22.4	13%	0.125	11%	0.112	C	C	.	.	H	α-helix	trans	-67.8	-37.2	-179.8	-76.5	-65.3	0	0	0	112.6	S515 C519 V520 F521 C557 V639 V641	S515-Y517 VanDerWaalsContact C-N 3.35Å; S515-Y517 PolarHBondContact O-N 3.01Å; Y517-C519 VanDerWaalsContact C-N 3.29Å; Y517-C519 PolarHBondContact O-N 2.81Å; Y517-V520 PolarHBondContact O-N 2.89Å; Y517-F521 HydrophobicContact CD1-CD1 4.4Å; Y517-F521 AromaticContact CD1-CE1 3.62Å; Y517-F521 HydrophobicContact CD1-CE1 3.62Å; Y517-F521 AromaticContact CD1-CZ 3.73Å; Y517-F521 HydrophobicContact CD1-CZ 3.73Å; Y517-F521 HydrophobicContact CE1-CE1 4.44Å; Y517-F521 HydrophobicContact CG-CE1 4.34Å; Y517-F521 HydrophobicContact CG-CZ 4.08Å; Y517-F521 WeakPolarHBondContact O-CB 3.34Å; Y517-F521 WeakPolarHBondContact O-CD1 3.42Å; Y517-F521 WeakPolarHBondContact O-CD2 3.42Å; Y517-F521 WeakPolarHBondContact O-CG 3.41Å; Y517-F521 PolarHBondContact O-N 3.01Å; Y517-C557 HydrophobicContact CD1-CB 3.93Å; Y517-C557 HydrophobicContact CD2-CB 4.16Å; Y517-C557 HydrophobicContact CE1-CB 3.55Å; Y517-C557 HydrophobicContact CE2-CB 3.81Å; Y517-C557 HydrophobicContact CG-CB 4.22Å; Y517-C557 VanDerWaalsContact CZ-CB 3.5Å; Y517-V639 HydrophobicContact CD1-CG1 4.06Å; Y517-V639 HydrophobicContact CE1-CG1 3.63Å; Y517-V641 HydrophobicContact CD1-CG2 4.26Å; Y517-V641 HydrophobicContact CD2-CG1 4.27Å; Y517-V641 HydrophobicContact CD2-CG2 3.67Å; Y517-V641 HydrophobicContact CE2-CG2 4.33Å; Y517-V641 HydrophobicContact CG-CG2 3.61Å
518	D	90.9	Very high	93.5	Very high	11 Å²	11	22.3 Å²	22.3	6%	0.059	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-36.7	176.2	-162.1	19.4	0	0	0	111.9	R38 T514 S515 A522 R586	R38-D518 IonicContact CZ-OD1 3.91Å; R38-D518 PolarHBondContact NH1-O 3.18Å; R38-D518 IonicContact NH1-OD1 2.78Å; R38-D518 PolarHBondContact NH1-OD1 3.28Å; R38-D518 IonicContact NH2-OD1 3.79Å; R38-D518 PolarHBondContact NH2-OD1 3.15Å; R38-D518 VanDerWaalsContact NH2-OD1 3.15Å; T514-D518 PolarHBondContact N-OD2 3.03Å; S515-D518 PolarHBondContact O-N 2.75Å; S515-D518 WeakPolarHBondContact OG-CB 3.28Å; S515-D518 PolarHBondContact OG-N 3.34Å; D518-A522 WeakPolarHBondContact O-CB 3.29Å; D518-A522 PolarHBondContact O-N 2.99Å; D518-R586 WeakPolarHBondContact OD2-CD 3.35Å; D518-R586 IonicContact OD2-CZ 3.71Å; D518-R586 IonicContact OD2-NE 2.72Å; D518-R586 IonicContact OD2-NH1 3.85Å; D518-R586 PolarHBondContact OD2-NH1 3.22Å
519	C	94.3	Very high	93.6	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.02	11%	0.11	C	C	.	.	H	α-helix	trans	-68.2	-40.1	175.4	-170.5	0	0	0	0	112.4	S515 C516 Y517 W529 C534	S515-C519 WeakPolarHBondContact O-CB 3.44Å; S515-C519 PolarHBondContact O-N 2.82Å; C516-C519 WeakPolarHBondContact O-CB 3.26Å; C516-C519 PolarHBondContact O-N 2.89Å; Y517-C519 VanDerWaalsContact C-N 3.29Å; Y517-C519 PolarHBondContact O-N 2.81Å; C519-W529 HydrophobicContact CB-CB 4.2Å; C519-W529 HydrophobicContact CB-CE3 4.19Å; C519-W529 PolarHBondContact SG-N 3.39Å; C519-W529 VanDerWaalsContact SG-N 3.4Å; C519-C534 HydrophobicContact CB-CB 3.57Å; C519-C534 WeakPolarHBondContact CB-SG 3.34Å; C519-C534 WeakPolarHBondContact SG-CB 3.11Å; C519-C534 CovalentContact SG-SG 2.03Å; C519-C534 PolarHBondContact SG-SG 2.63Å
520	V	94.2	Very high	93.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-77.2	-42.4	179.5	164.1	0	0	0	0	112.1	C516 Y517 A522 R523 T547 D549 G553	C516-V520 WeakPolarHBondContact O-CB 3.25Å; C516-V520 WeakPolarHBondContact O-CG2 3.43Å; C516-V520 PolarHBondContact O-N 2.79Å; Y517-V520 PolarHBondContact O-N 2.89Å; V520-A522 PolarHBondContact O-N 2.91Å; V520-R523 PolarHBondContact O-N 3.32Å; V520-R523 VanDerWaalsContact O-N 3.15Å; V520-T547 HydrophobicContact CG2-CG2 4.07Å; V520-D549 HydrophobicContact CG1-CB 4.15Å; V520-G553 VanDerWaalsContact O-CA 3.29Å; V520-G553 WeakPolarHBondContact O-CA 3.46Å
521	F	94.2	Very high	93.2	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-27.8	178.1	-67	-10.9	0	0	0	112.5	R38 Y517 R523 G553 E636 V639 V641	R38-F521 WeakPolarHBondContact CD-O 3.37Å; R38-F521 PolarHBondContact NE-O 2.8Å; R38-F521 VanDerWaalsContact NH2-CB 3.34Å; Y517-F521 HydrophobicContact CD1-CD1 4.4Å; Y517-F521 AromaticContact CD1-CE1 3.62Å; Y517-F521 HydrophobicContact CD1-CE1 3.62Å; Y517-F521 AromaticContact CD1-CZ 3.73Å; Y517-F521 HydrophobicContact CD1-CZ 3.73Å; Y517-F521 HydrophobicContact CE1-CE1 4.44Å; Y517-F521 HydrophobicContact CG-CE1 4.34Å; Y517-F521 HydrophobicContact CG-CZ 4.08Å; Y517-F521 WeakPolarHBondContact O-CB 3.34Å; Y517-F521 WeakPolarHBondContact O-CD1 3.42Å; Y517-F521 WeakPolarHBondContact O-CD2 3.42Å; Y517-F521 WeakPolarHBondContact O-CG 3.41Å; Y517-F521 PolarHBondContact O-N 3.01Å; F521-R523 PolarHBondContact O-N 3.47Å; F521-G553 WeakPolarHBondContact CD1-O 3.41Å; F521-E636 HydrophobicContact CB-CG 4.43Å; F521-E636 HydrophobicContact CD2-CB 3.93Å; F521-E636 HydrophobicContact CD2-CG 4.04Å; F521-E636 WeakPolarHBondContact CD2-OE2 3.42Å; F521-E636 HydrophobicContact CE2-CB 3.87Å; F521-E636 HydrophobicContact CE2-CG 4.46Å; F521-E636 HydrophobicContact CG-CB 4.49Å; F521-E636 HydrophobicContact CG-CG 4.21Å; F521-E636 HydrophobicContact CZ-CB 4.39Å; F521-V639 HydrophobicContact CE1-CB 3.93Å; F521-V639 HydrophobicContact CE1-CG1 4.16Å; F521-V639 HydrophobicContact CE1-CG2 4.38Å; F521-V639 HydrophobicContact CZ-CB 3.75Å; F521-V639 HydrophobicContact CZ-CG1 3.82Å; F521-V641 HydrophobicContact CE2-CG2 3.67Å; F521-V641 HydrophobicContact CZ-CG2 3.66Å
522	A	95.4	Very high	92.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21	174.2	0	0	0	0	0	114	I470 Y513 D518 V520 D524	I470-A522 WeakPolarHBondContact CG2-O 3.37Å; Y513-A522 HydrophobicContact CD1-CB 3.88Å; Y513-A522 HydrophobicContact CD2-CB 4.35Å; Y513-A522 HydrophobicContact CE1-CB 3.44Å; Y513-A522 VanDerWaalsContact CE1-CB 3.44Å; Y513-A522 HydrophobicContact CE2-CB 3.95Å; Y513-A522 HydrophobicContact CG-CB 4.33Å; Y513-A522 VanDerWaalsContact CZ-CB 3.47Å; D518-A522 WeakPolarHBondContact O-CB 3.29Å; D518-A522 PolarHBondContact O-N 2.99Å; V520-A522 PolarHBondContact O-N 2.91Å; A522-D524 HydrophobicContact CB-CB 4.34Å; A522-D524 PolarHBondContact O-N 3.4Å
523	R	96.3	Very high	93	Very high	41 Å²	41	28.2 Å²	28.2	16%	0.155	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	36.9	-179.7	-59.7	172.9	68.4	-170.6	2.7	112.9	V520 F521 P525 I550 S551	V520-R523 PolarHBondContact O-N 3.32Å; V520-R523 VanDerWaalsContact O-N 3.15Å; F521-R523 PolarHBondContact O-N 3.47Å; R523-P525 WeakPolarHBondContact O-CD 3.29Å; R523-I550 PolarHBondContact NE-O 3.05Å; R523-I550 PolarHBondContact NH2-O 3.36Å; R523-I550 WeakPolarHBondContact O-CD1 3.45Å; R523-S551 PolarHBondContact NH2-O 3.27Å; R523-S551 VanDerWaalsContact NH2-O 3.08Å
524	D	97.4	Very high	93.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.			trans	-91.3	112	-173.3	-171.1	-21.1	0	0	0	110.6	K459 I470 Y513 A522 F526 C527 Q548 I550	K459-D524 WeakPolarHBondContact CE-OD1 3.43Å; K459-D524 IonicContact NZ-OD1 3.59Å; K459-D524 PolarHBondContact NZ-OD1 2.93Å; K459-D524 IonicContact NZ-OD2 3.51Å; K459-D524 PolarHBondContact NZ-OD2 3.28Å; I470-D524 HydrophobicContact CD1-CB 4.26Å; I470-D524 HydrophobicContact CG2-CB 4.09Å; Y513-D524 HydrophobicContact CE2-CB 4.33Å; Y513-D524 PolarHBondContact OH-OD2 3.18Å; Y513-D524 VanDerWaalsContact OH-OD2 3.09Å; A522-D524 HydrophobicContact CB-CB 4.34Å; A522-D524 PolarHBondContact O-N 3.4Å; D524-F526 PolarHBondContact O-N 3.23Å; D524-F526 WeakPolarHBondContact OD1-CB 3.36Å; D524-F526 WeakPolarHBondContact OD1-CD2 3.34Å; D524-F526 PolarHBondContact OD1-N 2.73Å; D524-C527 HydrophobicContact CB-CB 4.13Å; D524-C527 PolarHBondContact O-N 2.82Å; D524-Q548 PolarHBondContact O-NE2 2.04Å; D524-I550 VanDerWaalsContact C-CD1 3.43Å
525	P	97.2	Very high	93.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.4	-175	-29	38	0	0	0	114.4	E437 A439 Y445 V447 V461 R523 C527 Q548 I550	E437-P525 HydrophobicContact CB-CB 4.16Å; E437-P525 HydrophobicContact CG-CB 4.24Å; A439-P525 HydrophobicContact CB-CB 4.48Å; Y445-P525 HydrophobicContact CG-CG 4.22Å; V447-P525 HydrophobicContact CG2-CB 4.49Å; V447-P525 HydrophobicContact CG2-CG 3.9Å; V461-P525 HydrophobicContact CB-CG 4.34Å; V461-P525 HydrophobicContact CG2-CG 3.66Å; R523-P525 WeakPolarHBondContact O-CD 3.29Å; P525-C527 VanDerWaalsContact C-N 3.35Å; P525-Q548 VanDerWaalsContact C-NE2 3.25Å; P525-Q548 PolarHBondContact O-NE2 2.94Å; P525-I550 HydrophobicContact CG-CD1 4.27Å; P525-I550 HydrophobicContact CG-CG2 4.37Å
526	F	96.8	Very high	93.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-23.7	179.9	-65	-108.8	0	0	0	112.8	H435 E437 V447 F449 M507 D524 E536 I537	H435-F526 AromaticContact CD2-CZ 3.7Å; E437-F526 HydrophobicContact CB-CD2 4.41Å; E437-F526 HydrophobicContact CB-CE2 3.99Å; E437-F526 HydrophobicContact CB-CZ 4.08Å; E437-F526 HydrophobicContact CG-CD1 4.14Å; E437-F526 HydrophobicContact CG-CD2 4.01Å; E437-F526 HydrophobicContact CG-CE1 4.09Å; E437-F526 HydrophobicContact CG-CE2 3.99Å; E437-F526 HydrophobicContact CG-CG 4.07Å; E437-F526 HydrophobicContact CG-CZ 4.02Å; V447-F526 HydrophobicContact CB-CE2 4.39Å; V447-F526 HydrophobicContact CG1-CE2 4.14Å; V447-F526 HydrophobicContact CG2-CE2 4.06Å; F449-F526 HydrophobicContact CZ-CZ 4.42Å; M507-F526 HydrophobicContact CB-CD1 4.1Å; M507-F526 HydrophobicContact CB-CE1 3.41Å; M507-F526 VanDerWaalsContact CB-CE1 3.41Å; M507-F526 HydrophobicContact CB-CZ 3.75Å; M507-F526 HydrophobicContact CG-CE1 4.29Å; M507-F526 HydrophobicContact CG-CZ 4.43Å; M507-F526 HydrophobicContact SD-CE1 3.99Å; M507-F526 HydrophobicContact SD-CZ 4.16Å; D524-F526 PolarHBondContact O-N 3.23Å; D524-F526 WeakPolarHBondContact OD1-CB 3.36Å; D524-F526 WeakPolarHBondContact OD1-CD2 3.34Å; D524-F526 PolarHBondContact OD1-N 2.73Å; F526-E536 CarbonylContact O-C 3.58Å; F526-E536 WeakPolarHBondContact O-CA 3.39Å; F526-E536 WeakPolarHBondContact O-CG 3.26Å; F526-I537 PolarHBondContact O-N 3.48Å
527	C	96.7	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.3	-161.8	-59.2	0	0	0	0	113.6	C510 Y513 D524 P525 V535 Q548	C510-C527 WeakPolarHBondContact CA-SG 3.45Å; C510-C527 HydrophobicContact CB-CB 3.7Å; C510-C527 WeakPolarHBondContact CB-SG 3.33Å; C510-C527 WeakPolarHBondContact SG-CA 3.49Å; C510-C527 WeakPolarHBondContact SG-CB 3.02Å; C510-C527 CovalentContact SG-SG 2.03Å; C510-C527 PolarHBondContact SG-SG 3.28Å; Y513-C527 HydrophobicContact CE2-CB 4.3Å; D524-C527 HydrophobicContact CB-CB 4.13Å; D524-C527 PolarHBondContact O-N 2.82Å; P525-C527 VanDerWaalsContact C-N 3.35Å; C527-V535 WeakPolarHBondContact CA-O 3.34Å; C527-Q548 WeakPolarHBondContact O-CG 3.31Å; C527-Q548 PolarHBondContact O-NE2 3.39Å
528	G	95.7	Very high	93.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.5	174.6	0	0	0	0	0	112.3	V535 T547	G528-V535 PolarHBondContact N-O 3.44Å; G528-V535 WeakPolarHBondContact O-CG2 3.25Å; G528-V535 PolarHBondContact O-N 3.27Å; G528-T547 WeakPolarHBondContact CA-O 3.04Å
529	W	94.2	Very high	93.6	Very high	20 Å²	20	30.4 Å²	30.4	8%	0.076	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.2	-179.2	177.9	-98.9	0	0	0	111.1	S515 C516 C519 G531 R532 V533 C534 L546 T547	S515-W529 VanDerWaalsContact C-CE3 3.46Å; S515-W529 VanDerWaalsContact CA-CZ3 3.44Å; C516-W529 VanDerWaalsContact CA-CD2 3.44Å; C516-W529 HydrophobicContact CB-CD2 3.81Å; C516-W529 HydrophobicContact CB-CE3 4.49Å; C516-W529 HydrophobicContact CB-CG 3.87Å; C516-W529 HydrophobicContact CB-CZ2 4.24Å; C519-W529 HydrophobicContact CB-CB 4.2Å; C519-W529 HydrophobicContact CB-CE3 4.19Å; C519-W529 PolarHBondContact SG-N 3.39Å; C519-W529 VanDerWaalsContact SG-N 3.4Å; W529-G531 VanDerWaalsContact C-N 3.33Å; W529-G531 VanDerWaalsContact CD1-N 3.26Å; W529-G531 VanDerWaalsContact NE1-C 3.31Å; W529-G531 PolarHBondContact O-N 3.03Å; W529-R532 WeakPolarHBondContact CH2-O 3.45Å; W529-R532 VanDerWaalsContact CZ2-C 3.46Å; W529-R532 WeakPolarHBondContact CZ2-O 3.4Å; W529-V533 VanDerWaalsContact CZ3-C 3.49Å; W529-V533 VanDerWaalsContact CZ3-CA 3.48Å; W529-C534 HydrophobicContact CE3-CB 4.07Å; W529-C534 VanDerWaalsContact CE3-N 3.35Å; W529-L546 CarbonylContact O-C 3.56Å; W529-L546 WeakPolarHBondContact O-CA 3.47Å; W529-T547 PolarHBondContact N-O 3.14Å; W529-T547 PolarHBondContact O-N 2.85Å
530	D	90.8	Very high	93.1	Very high	38 Å²	38	34.7 Å²	34.7	20%	0.203	18%	0.18	C	C	.	.			trans	-90.2	9.4	-175.8	76.9	2.5	0	0	0	115.2	R532 V533 V535 R540 L546	D530-R532 WeakPolarHBondContact OD1-CA 3.47Å; D530-R532 PolarHBondContact OD1-N 3.12Å; D530-V533 PolarHBondContact N-O 2.74Å; D530-V533 PolarHBondContact OD1-N 2.92Å; D530-V535 HydrophobicContact CB-CG2 4.1Å; D530-R540 IonicContact OD2-CZ 2.82Å; D530-R540 IonicContact OD2-NE 3.63Å; D530-R540 IonicContact OD2-NH2 2.79Å; D530-R540 PolarHBondContact OD2-NH2 3.08Å; D530-L546 HydrophobicContact CB-CD2 3.69Å
531	G	88.3	Confident	92.4	Very high	48 Å²	48	40.9 Å²	40.9	50%	0.495	22%	0.22	S	C	.	.	S	Bend	trans	96.8	-18.3	-171.9	0	0	0	0	0	113.7	W529	W529-G531 VanDerWaalsContact C-N 3.33Å; W529-G531 VanDerWaalsContact CD1-N 3.26Å; W529-G531 VanDerWaalsContact NE1-C 3.31Å; W529-G531 PolarHBondContact O-N 3.03Å
532	R	87.3	Confident	91.7	Very high	220 Å²	220	46.8 Å²	46.8	83%	0.83	25%	0.248	S	C	*	.	S	Bend	trans	-130.6	-37.4	-178.8	-60	-177.8	-179.4	-170.1	-0	114	W529 D530	W529-R532 WeakPolarHBondContact CH2-O 3.45Å; W529-R532 VanDerWaalsContact CZ2-C 3.46Å; W529-R532 WeakPolarHBondContact CZ2-O 3.4Å; D530-R532 WeakPolarHBondContact OD1-CA 3.47Å; D530-R532 PolarHBondContact OD1-N 3.12Å
533	V	91.6	Very high	91.2	Very high	75 Å²	75	52.5 Å²	52.5	46%	0.455	27%	0.269	S	S	.	.	S	Bend	trans	-143.4	157.1	-179.2	-77	0	0	0	0	110.7	W529 D530 V535	W529-V533 VanDerWaalsContact CZ3-C 3.49Å; W529-V533 VanDerWaalsContact CZ3-CA 3.48Å; D530-V533 PolarHBondContact N-O 2.74Å; D530-V533 PolarHBondContact OD1-N 2.92Å; V533-V535 HydrophobicContact CB-CG1 4.5Å; V533-V535 HydrophobicContact CG2-CG1 3.76Å
534	C	94.1	Very high	90.4	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126	170.1	-165.8	0	0	0	0	109.2	C510 Y513 C519 W529	C510-C534 CarbonylContact C-O 3.56Å; C510-C534 VanDerWaalsContact O-CB 3.31Å; C510-C534 WeakPolarHBondContact O-CB 3.5Å; Y513-C534 VanDerWaalsContact O-CB 3.32Å; Y513-C534 WeakPolarHBondContact O-CB 3.12Å; C519-C534 HydrophobicContact CB-CB 3.57Å; C519-C534 WeakPolarHBondContact CB-SG 3.34Å; C519-C534 WeakPolarHBondContact SG-CB 3.11Å; C519-C534 CovalentContact SG-SG 2.03Å; C519-C534 PolarHBondContact SG-SG 2.63Å; W529-C534 HydrophobicContact CE3-CB 4.07Å; W529-C534 VanDerWaalsContact CE3-N 3.35Å
535	V	94.7	Very high	89.9	Confident	14 Å²	14	60 Å²	60	9%	0.085	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158.5	-171.3	-61.7	0	0	0	0	110.9	C527 G528 D530 V533 R540 L546	C527-V535 WeakPolarHBondContact CA-O 3.34Å; G528-V535 PolarHBondContact N-O 3.44Å; G528-V535 WeakPolarHBondContact O-CG2 3.25Å; G528-V535 PolarHBondContact O-N 3.27Å; D530-V535 HydrophobicContact CB-CG2 4.1Å; V533-V535 HydrophobicContact CB-CG1 4.5Å; V533-V535 HydrophobicContact CG2-CG1 3.76Å; V535-R540 HydrophobicContact CG2-CG 3.79Å; V535-L546 HydrophobicContact CG2-CD2 3.99Å
536	E	94.6	Very high	89.7	Confident	40 Å²	40	60.8 Å²	60.8	19%	0.187	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.3	172.7	-163.6	178.2	-135.4	0	0	110.3	R492 S508 F526 S538 S539	R492-E536 IonicContact CZ-OE1 2.71Å; R492-E536 VanDerWaalsContact CZ-OE1 3.24Å; R492-E536 IonicContact CZ-OE2 3.81Å; R492-E536 VanDerWaalsContact NE-CD 3.29Å; R492-E536 IonicContact NE-OE1 3.52Å; R492-E536 PolarHBondContact NE-OE1 3.44Å; R492-E536 IonicContact NE-OE2 3.2Å; R492-E536 PolarHBondContact NE-OE2 3.35Å; R492-E536 IonicContact NH2-OE1 3.19Å; R492-E536 PolarHBondContact NH2-OE1 3.13Å; R492-E536 IonicContact NH2-OE2 2.75Å; S508-E536 VanDerWaalsContact OG-CD 3.22Å; S508-E536 PolarHBondContact OG-OE1 3.26Å; F526-E536 CarbonylContact O-C 3.58Å; F526-E536 WeakPolarHBondContact O-CA 3.39Å; F526-E536 WeakPolarHBondContact O-CG 3.26Å; E536-S538 VanDerWaalsContact C-N 3.33Å; E536-S538 VanDerWaalsContact CD-OG 3.27Å; E536-S538 WeakPolarHBondContact CG-OG 3.35Å; E536-S538 PolarHBondContact O-N 3.41Å; E536-S538 PolarHBondContact OE2-OG 2.93Å; E536-S539 WeakPolarHBondContact O-CB 3.39Å; E536-S539 PolarHBondContact O-N 2.76Å; E536-S539 VanDerWaalsContact O-N 3.08Å; E536-S539 PolarHBondContact O-OG 2.78Å
537	I	93.7	Very high	89.5	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.026	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-66.5	-34.9	-171.5	-64.8	172.1	0	0	0	111.9	L440 F526 S539 R540 R543 L546 Q548	L440-I537 HydrophobicContact CB-CD1 4.14Å; F526-I537 PolarHBondContact O-N 3.48Å; I537-S539 PolarHBondContact O-N 3.28Å; I537-R540 PolarHBondContact O-N 2.99Å; I537-R543 HydrophobicContact CG2-CG 4.47Å; I537-L546 HydrophobicContact CB-CD1 4.37Å; I537-L546 HydrophobicContact CG1-CD1 4.09Å; I537-L546 HydrophobicContact CG2-CD1 4.1Å; I537-Q548 VanDerWaalsContact CD1-CD 3.43Å; I537-Q548 HydrophobicContact CD1-CG 4.49Å
538	S	89.6	Confident	89.4	Confident	55 Å²	55	64 Å²	64	39%	0.385	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-59	-31.6	173.6	56.2	0	0	0	0	112.7	E536 R540	E536-S538 VanDerWaalsContact C-N 3.33Å; E536-S538 VanDerWaalsContact CD-OG 3.27Å; E536-S538 WeakPolarHBondContact CG-OG 3.35Å; E536-S538 PolarHBondContact O-N 3.41Å; E536-S538 PolarHBondContact OE2-OG 2.93Å; S538-R540 PolarHBondContact O-N 2.75Å
539	S	87.9	Confident	89.4	Confident	68 Å²	68	64.4 Å²	64.4	48%	0.476	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-76.1	-6	-178.7	79	0	0	0	0	114.5	E536 I537	E536-S539 WeakPolarHBondContact O-CB 3.39Å; E536-S539 PolarHBondContact O-N 2.76Å; E536-S539 VanDerWaalsContact O-N 3.08Å; E536-S539 PolarHBondContact O-OG 2.78Å; I537-S539 PolarHBondContact O-N 3.28Å
540	R	85.6	Confident	89.5	Confident	94 Å²	94	63.7 Å²	63.7	36%	0.355	34%	0.34	S	S	.	.			trans	-116.1	115.8	-174.6	-65.7	-55.7	-155	-153.3	7.1	111.5	D530 V535 I537 S538 L546	D530-R540 IonicContact OD2-CZ 2.82Å; D530-R540 IonicContact OD2-NE 3.63Å; D530-R540 IonicContact OD2-NH2 2.79Å; D530-R540 PolarHBondContact OD2-NH2 3.08Å; V535-R540 HydrophobicContact CG2-CG 3.79Å; I537-R540 PolarHBondContact O-N 2.99Å; S538-R540 PolarHBondContact O-N 2.75Å; R540-L546 HydrophobicContact CB-CD1 4.13Å; R540-L546 HydrophobicContact CG-CD1 4.41Å; R540-L546 HydrophobicContact CG-CD2 4.29Å
541	P	78.5	Confident	89.6	Confident	131 Å²	131	63.9 Å²	63.9	85%	0.851	35%	0.345	S	S	*	.	S	Bend	trans	-70.4	-39.4	176	27.2	-33	0	0	0	111.9	R543	P541-R543 PolarHBondContact O-N 3.2Å
542	Q	80.3	Confident	89.7	Confident	130 Å²	130	69.3 Å²	69.3	61%	0.607	35%	0.35	S	S	*	.			trans	-89.2	90.8	177.1	-169.1	70.3	30.4	0	0	110.5	S544	Q542-S544 PolarHBondContact NE2-OG 3.04Å
543	R	84.3	Confident	89.9	Confident	120 Å²	120	58.8 Å²	58.8	45%	0.453	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-77.5	-20.6	-178.2	-64	-174.8	-177.4	179.9	1.4	114.8	L440 I537 P541 N545 L546	L440-R543 HydrophobicContact CD1-CB 3.94Å; I537-R543 HydrophobicContact CG2-CG 4.47Å; P541-R543 PolarHBondContact O-N 3.2Å; R543-N545 PolarHBondContact O-N 2.85Å; R543-L546 HydrophobicContact CB-CD1 4.46Å; R543-L546 HydrophobicContact CG-CD1 4.45Å; R543-L546 WeakPolarHBondContact O-CB 3.36Å; R543-L546 PolarHBondContact O-N 3Å
544	S	80.3	Confident	89.8	Confident	85 Å²	85	57 Å²	57	59%	0.594	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-57.3	-19.3	-173.9	62.8	0	0	0	0	116	Q542	Q542-S544 PolarHBondContact NE2-OG 3.04Å
545	N	85.2	Confident	89.5	Confident	115 Å²	115	64.5 Å²	64.5	62%	0.615	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-104.7	0.7	-175.6	-59.9	6.9	0	0	0	112.2	R543	R543-N545 PolarHBondContact O-N 2.85Å
546	L	92.8	Very high	89	Confident	17 Å²	17	66.5 Å²	66.5	9%	0.089	35%	0.351	C	S	.	.			trans	-81.1	155.4	177	-58.7	-178.4	0	0	0	110.9	L440 W529 D530 V535 I537 R540 R543	L440-L546 HydrophobicContact CD1-CB 4.12Å; L440-L546 HydrophobicContact CD1-CD1 4.44Å; L440-L546 HydrophobicContact CD2-CB 3.75Å; L440-L546 WeakPolarHBondContact CD2-O 3.06Å; W529-L546 CarbonylContact O-C 3.56Å; W529-L546 WeakPolarHBondContact O-CA 3.47Å; D530-L546 HydrophobicContact CB-CD2 3.69Å; V535-L546 HydrophobicContact CG2-CD2 3.99Å; I537-L546 HydrophobicContact CB-CD1 4.37Å; I537-L546 HydrophobicContact CG1-CD1 4.09Å; I537-L546 HydrophobicContact CG2-CD1 4.1Å; R540-L546 HydrophobicContact CB-CD1 4.13Å; R540-L546 HydrophobicContact CG-CD1 4.41Å; R540-L546 HydrophobicContact CG-CD2 4.29Å; R543-L546 HydrophobicContact CB-CD1 4.46Å; R543-L546 HydrophobicContact CG-CD1 4.45Å; R543-L546 WeakPolarHBondContact O-CB 3.36Å; R543-L546 PolarHBondContact O-N 3Å
547	T	93.7	Very high	88.6	Confident	32 Å²	32	65.5 Å²	65.5	20%	0.196	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-128.6	125.4	176.7	-56	0	0	0	0	109.2	V520 G528 W529	V520-T547 HydrophobicContact CG2-CG2 4.07Å; G528-T547 WeakPolarHBondContact CA-O 3.04Å; W529-T547 PolarHBondContact N-O 3.14Å; W529-T547 PolarHBondContact O-N 2.85Å
548	Q	95.4	Very high	87.8	Confident	34 Å²	34	73.3 Å²	73.3	16%	0.159	38%	0.382	C	S	.	.			trans	-151.1	147.9	178.6	-169.5	-174.9	47.5	0	0	108.7	L440 D524 P525 C527 I537 I550	L440-Q548 HydrophobicContact CB-CB 4.04Å; L440-Q548 HydrophobicContact CD2-CB 3.91Å; D524-Q548 PolarHBondContact O-NE2 2.04Å; P525-Q548 VanDerWaalsContact C-NE2 3.25Å; P525-Q548 PolarHBondContact O-NE2 2.94Å; C527-Q548 WeakPolarHBondContact O-CG 3.31Å; C527-Q548 PolarHBondContact O-NE2 3.39Å; I537-Q548 VanDerWaalsContact CD1-CD 3.43Å; I537-Q548 HydrophobicContact CD1-CG 4.49Å; Q548-I550 HydrophobicContact CG-CD1 3.67Å; Q548-I550 HydrophobicContact CG-CG1 4.03Å
549	D	94.9	Very high	86.5	Confident	10 Å²	10	78.7 Å²	78.7	5%	0.053	40%	0.402	C	S	.	.			trans	-148.3	85.4	173.6	172.6	12.3	0	0	0	109.4	V520 S551 R552 G553 T554 R555	V520-D549 HydrophobicContact CG1-CB 4.15Å; D549-S551 VanDerWaalsContact C-N 3.3Å; D549-S551 PolarHBondContact OD1-N 3.42Å; D549-S551 PolarHBondContact OD1-OG 2.78Å; D549-R552 PolarHBondContact OD1-N 2.89Å; D549-G553 VanDerWaalsContact O-CA 3.23Å; D549-G553 WeakPolarHBondContact O-CA 3.36Å; D549-G553 PolarHBondContact O-N 3.47Å; D549-G553 PolarHBondContact OD2-N 2.99Å; D549-T554 PolarHBondContact OD2-N 3.02Å; D549-T554 PolarHBondContact OD2-OG1 3.34Å; D549-T554 VanDerWaalsContact OD2-OG1 3.09Å; D549-R555 HydrophobicContact CB-CB 4.21Å; D549-R555 PolarHBondContact OD2-N 2.85Å
550	I	95.6	Very high	84.9	Confident	4 Å²	4	81.4 Å²	81.4	2%	0.021	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-31	177.8	-49.9	-57.4	0	0	0	111.2	A439 Y445 V461 V463 R523 D524 P525 Q548 R552	A439-I550 HydrophobicContact CB-CG1 4.2Å; Y445-I550 HydrophobicContact CD1-CG2 3.66Å; Y445-I550 HydrophobicContact CD2-CG1 4.44Å; Y445-I550 HydrophobicContact CD2-CG2 4.27Å; Y445-I550 HydrophobicContact CE1-CB 4Å; Y445-I550 HydrophobicContact CE1-CG2 3.43Å; Y445-I550 VanDerWaalsContact CE1-CG2 3.43Å; Y445-I550 HydrophobicContact CE2-CB 3.93Å; Y445-I550 HydrophobicContact CE2-CG1 4.06Å; Y445-I550 HydrophobicContact CE2-CG2 4.05Å; Y445-I550 HydrophobicContact CG-CG2 4.08Å; V461-I550 HydrophobicContact CG2-CG2 4.23Å; V463-I550 HydrophobicContact CG2-CG2 3.84Å; R523-I550 PolarHBondContact NE-O 3.05Å; R523-I550 PolarHBondContact NH2-O 3.36Å; R523-I550 WeakPolarHBondContact O-CD1 3.45Å; D524-I550 VanDerWaalsContact C-CD1 3.43Å; P525-I550 HydrophobicContact CG-CD1 4.27Å; P525-I550 HydrophobicContact CG-CG2 4.37Å; Q548-I550 HydrophobicContact CG-CD1 3.67Å; Q548-I550 HydrophobicContact CG-CG1 4.03Å; I550-R552 PolarHBondContact O-N 2.76Å
551	S	92.9	Very high	83.1	Confident	43 Å²	43	82.9 Å²	82.9	30%	0.301	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-44.4	-178	76.6	0	0	0	0	112.7	R523 D549	R523-S551 PolarHBondContact NH2-O 3.27Å; R523-S551 VanDerWaalsContact NH2-O 3.08Å; D549-S551 VanDerWaalsContact C-N 3.3Å; D549-S551 PolarHBondContact OD1-N 3.42Å; D549-S551 PolarHBondContact OD1-OG 2.78Å
552	R	90.3	Very high	81.6	Confident	161 Å²	161	77.3 Å²	77.3	61%	0.608	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	-18.1	-172.2	-66.4	-177.3	-179.7	-145.4	-5.1	114.9	D549 I550 T554 N637	D549-R552 PolarHBondContact OD1-N 2.89Å; I550-R552 PolarHBondContact O-N 2.76Å; R552-T554 HydrophobicContact CB-CG2 4.27Å; R552-N637 PolarHBondContact O-ND2 2.67Å
553	G	91.6	Very high	80.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	56.8	54.2	-172.2	0	0	0	0	0	112.1	V520 F521 D549 N637	V520-G553 VanDerWaalsContact O-CA 3.29Å; V520-G553 WeakPolarHBondContact O-CA 3.46Å; F521-G553 WeakPolarHBondContact CD1-O 3.41Å; D549-G553 VanDerWaalsContact O-CA 3.23Å; D549-G553 WeakPolarHBondContact O-CA 3.36Å; D549-G553 PolarHBondContact O-N 3.47Å; D549-G553 PolarHBondContact OD2-N 2.99Å; G553-N637 PolarHBondContact O-ND2 3.13Å
554	T	89.4	Confident	79.5	Confident	38 Å²	38	68.3 Å²	68.3	23%	0.233	37%	0.368	C	S	.	.			trans	-140.4	-27.7	-177.8	54.7	0	0	0	0	115.1	D549 R552 N637 V639	D549-T554 PolarHBondContact OD2-N 3.02Å; D549-T554 PolarHBondContact OD2-OG1 3.34Å; D549-T554 VanDerWaalsContact OD2-OG1 3.09Å; R552-T554 HydrophobicContact CB-CG2 4.27Å; T554-N637 HydrophobicContact CG2-CB 3.67Å; T554-N637 WeakPolarHBondContact CG2-O 3.46Å; T554-V639 HydrophobicContact CG2-CG2 4.03Å
555	R	87.9	Confident	78.9	Confident	158 Å²	158	69.4 Å²	69.4	60%	0.596	37%	0.373	S	S	*	.			trans	-96.8	158.2	-163	-68.8	175.9	172.9	-180	-3.3	115	D549 C557	D549-R555 HydrophobicContact CB-CB 4.21Å; D549-R555 PolarHBondContact OD2-N 2.85Å; R555-C557 PolarHBondContact O-N 2.95Å
556	G	84.6	Confident	78.7	Confident	56 Å²	56	65.9 Å²	65.9	58%	0.577	36%	0.355	S	S	*	.	S	Bend	trans	90.8	-22.1	163.1	0	0	0	0	0	116.4
557	C	86.8	Confident	78.3	Confident	19 Å²	19	68.4 Å²	68.4	13%	0.128	37%	0.368	C	S	.	.			trans	-68.9	138.8	171.9	-63.7	0	0	0	0	112.2	C516 Y517 R555	C516-C557 HydrophobicContact CB-CB 3.93Å; C516-C557 WeakPolarHBondContact CB-SG 3.15Å; C516-C557 PolarHBondContact O-SG 3.41Å; C516-C557 VanDerWaalsContact O-SG 3.4Å; C516-C557 WeakPolarHBondContact SG-CA 3.27Å; C516-C557 WeakPolarHBondContact SG-CB 3.3Å; C516-C557 CovalentContact SG-SG 2.04Å; C516-C557 PolarHBondContact SG-SG 3.47Å; Y517-C557 HydrophobicContact CD1-CB 3.93Å; Y517-C557 HydrophobicContact CD2-CB 4.16Å; Y517-C557 HydrophobicContact CE1-CB 3.55Å; Y517-C557 HydrophobicContact CE2-CB 3.81Å; Y517-C557 HydrophobicContact CG-CB 4.22Å; Y517-C557 VanDerWaalsContact CZ-CB 3.5Å; R555-C557 PolarHBondContact O-N 2.95Å
558	K	76.2	Confident	78.2	Confident	169 Å²	169	73.4 Å²	73.4	74%	0.735	39%	0.389	S	S	*	.			trans	-95.9	148.2	176.2	-64.9	179.9	-178.9	177.1	0	110.5	N560	K558-N560 PolarHBondContact O-N 2.86Å
559	E	62	Low	78	Confident	169 Å²	169	74.8 Å²	74.8	79%	0.79	39%	0.393	S	S	*	.	S	Bend	trans	-62.2	-13.8	-171.6	-62	-169.9	142	0	0	115.4	N563	E559-N563 PolarHBondContact O-ND2 2.87Å
560	N	54.5	Low	77.9	Confident	125 Å²	125	84.5 Å²	84.5	67%	0.668	43%	0.429	S	S	*	.	S	Bend	trans	-159.7	161.5	162.1	-87.3	-50.6	0	0	0	109.3	K558 N563	K558-N560 PolarHBondContact O-N 2.86Å; N560-N563 PolarHBondContact OD1-ND2 2.64Å
561	P	47.5	Very low	77.7	Confident	124 Å²	124	89.2 Å²	89.2	81%	0.805	45%	0.446	S	S	*	.	S	Bend	cis	-103	19.2	-4.4	40.1	-33.2	0	0	0	113	N563	P561-N563 PolarHBondContact O-N 3.28Å
562	G	48.2	Very low	77.6	Confident	15 Å²	15	91 Å²	91	16%	0.155	46%	0.463	C	S	.	.	S	Bend	trans	-81.2	8.9	-179.3	0	0	0	0	0	115.5	C516	C516-G562 WeakPolarHBondContact CB-O 3.46Å; C516-G562 PolarHBondContact N-O 3.44Å
563	N	58.1	Low	77.7	Confident	45 Å²	45	83.8 Å²	83.8	24%	0.241	44%	0.437	C	S	.	.	S	Bend	trans	-68.3	144.3	168.5	-59.7	-45	0	0	0	109	E559 N560 P561	E559-N563 PolarHBondContact O-ND2 2.87Å; N560-N563 PolarHBondContact OD1-ND2 2.64Å; P561-N563 PolarHBondContact O-N 3.28Å
564	G	60.6	Low	77.6	Confident	15 Å²	15	87 Å²	87	16%	0.155	45%	0.453	C	S	.	.			trans	-60.6	163.5	178.9	0	0	0	0	0	113.1	S515 V566	S515-G564 VanDerWaalsContact CB-N 3.34Å; G564-V566 PolarHBondContact O-N 3.07Å
565	P	67.6	Low	77.6	Confident	109 Å²	109	88 Å²	88	71%	0.708	46%	0.462	S	S	*	.			trans	-60.7	103.9	-179.1	25.4	-34.4	0	0	0	110.7	I567	P565-I567 PolarHBondContact O-N 3.21Å
566	V	81.8	Confident	77.6	Confident	40 Å²	40	82.9 Å²	82.9	24%	0.242	46%	0.458	C	S	.	.			trans	-62.1	118.7	178.6	178.1	0	0	0	0	108.7	G564 H568 L642 V643 L645	G564-V566 PolarHBondContact O-N 3.07Å; V566-H568 PolarHBondContact O-CD2 3.1Å; V566-H568 PolarHBondContact O-N 2.9Å; V566-H568 VanDerWaalsContact O-N 3.13Å; V566-L642 HydrophobicContact CG1-CD2 4.02Å; V566-L642 HydrophobicContact CG1-CG 3.94Å; V566-L642 HydrophobicContact CG2-CB 4.44Å; V566-L642 HydrophobicContact CG2-CD2 3.97Å; V566-L642 HydrophobicContact CG2-CG 3.94Å; V566-V643 WeakPolarHBondContact CA-O 3.45Å; V566-L645 HydrophobicContact CG1-CB 3.97Å
567	I	84.8	Confident	77.8	Confident	70 Å²	70	84 Å²	84	36%	0.359	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	104.2	-173.5	-59.7	-179.8	0	0	0	109.1	P565 R569 V643 Y644 L645	P565-I567 PolarHBondContact O-N 3.21Å; I567-R569 HydrophobicContact CG2-CG 4.14Å; I567-V643 PolarHBondContact N-O 3.48Å; I567-Y644 HydrophobicContact CB-CD1 3.67Å; I567-Y644 HydrophobicContact CB-CE1 3.82Å; I567-Y644 HydrophobicContact CB-CG 4.37Å; I567-Y644 HydrophobicContact CD1-CE1 3.86Å; I567-Y644 HydrophobicContact CG1-CE1 4.38Å; I567-Y644 HydrophobicContact CG2-CD1 3.84Å; I567-Y644 HydrophobicContact CG2-CE1 3.8Å; I567-L645 PolarHBondContact O-N 3.03Å
568	H	90.4	Very high	78	Confident	138 Å²	138	87 Å²	87	64%	0.639	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	118.7	175.2	-70.1	-96.1	0	0	0	110.8	V566 L645	V566-H568 PolarHBondContact O-CD2 3.1Å; V566-H568 PolarHBondContact O-N 2.9Å; V566-H568 VanDerWaalsContact O-N 3.13Å; H568-L645 CarbonylContact C-O 3.57Å; H568-L645 WeakPolarHBondContact CA-O 3.02Å; H568-L645 VanDerWaalsContact CE1-CD2 3.44Å; H568-L645 WeakPolarHBondContact CE1-CD2 3.47Å
569	R	92.1	Very high	78.7	Confident	62 Å²	62	79.9 Å²	79.9	23%	0.234	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.5	175.5	-74.9	174.5	177.6	-176.7	4.2	110.2	I567 E584 L645 Y646 T647	I567-R569 HydrophobicContact CG2-CG 4.14Å; R569-E584 IonicContact NH1-OE2 3.86Å; R569-E584 IonicContact NH2-OE2 2.76Å; R569-E584 PolarHBondContact NH2-OE2 2.96Å; R569-L645 PolarHBondContact N-O 3.28Å; R569-Y646 HydrophobicContact CB-CD1 3.56Å; R569-Y646 HydrophobicContact CB-CE1 3.48Å; R569-Y646 VanDerWaalsContact CB-CE1 3.48Å; R569-Y646 HydrophobicContact CB-CG 4.32Å; R569-Y646 VanDerWaalsContact CD-OH 3.31Å; R569-Y646 WeakPolarHBondContact CD-OH 3.37Å; R569-Y646 HydrophobicContact CG-CE1 4.1Å; R569-Y646 PolarHBondContact NH1-OH 2.8Å; R569-Y646 CarbonylContact O-C 3.54Å; R569-Y646 VanDerWaalsContact O-CA 3.31Å; R569-Y646 WeakPolarHBondContact O-CA 3.43Å; R569-T647 PolarHBondContact O-N 2.96Å
570	R	93.1	Very high	80.1	Confident	215 Å²	215	73.3 Å²	73.3	81%	0.811	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.9	171.3	-60.8	-175.9	-174.4	174	3.1	109.4	T647	R570-T647 WeakPolarHBondContact CA-O 3.47Å
571	R	91.3	Very high	82	Confident	103 Å²	103	67.4 Å²	67.4	39%	0.389	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.7	174.3	-69.5	-64.3	-174.4	-128.9	10.5	110	V573 L581 Y646 T647 V648 K649	R571-V573 HydrophobicContact CB-CG2 4.33Å; R571-L581 HydrophobicContact CG-CD2 4.1Å; R571-Y646 HydrophobicContact CG-CD1 4.26Å; R571-Y646 HydrophobicContact CG-CE1 4.5Å; R571-T647 PolarHBondContact N-O 2.84Å; R571-V648 HydrophobicContact CB-CG2 4.45Å; R571-V648 WeakPolarHBondContact O-CA 3.34Å; R571-K649 PolarHBondContact O-N 2.85Å
572	A	91.6	Very high	84	Confident	79 Å²	79	64 Å²	64	65%	0.653	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.9	161.9	0	0	0	0	0	107.5	K649	A572-K649 WeakPolarHBondContact CA-O 3.46Å
573	V	90.7	Very high	86	Confident	11 Å²	11	63.3 Å²	63.3	7%	0.067	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.6	-173.4	-171.5	0	0	0	0	107.8	R571 D577 V579 A622 V648 K649 V650 H651	R571-V573 HydrophobicContact CB-CG2 4.33Å; V573-D577 HydrophobicContact CG1-CB 3.8Å; V573-V579 HydrophobicContact CG1-CB 4.1Å; V573-V579 HydrophobicContact CG1-CG1 4.06Å; V573-V579 HydrophobicContact CG2-CB 4.06Å; V573-V579 HydrophobicContact CG2-CG1 3.98Å; V573-V579 HydrophobicContact CG2-CG2 3.97Å; V573-A622 HydrophobicContact CG1-CB 3.88Å; V573-V648 HydrophobicContact CG2-CG1 4.21Å; V573-K649 PolarHBondContact N-O 3.42Å; V573-V650 CarbonylContact O-C 3.58Å; V573-V650 WeakPolarHBondContact O-CA 3.22Å; V573-H651 PolarHBondContact O-N 3.04Å; V573-H651 PolarHBondContact O-ND1 2.03Å
574	M	89.9	Confident	87.4	Confident	66 Å²	66	65.8 Å²	65.8	33%	0.325	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	153.1	172.9	-59.2	-56.3	-59.1	0	0	111.3	G576 D577 H651 D653	M574-G576 PolarHBondContact O-N 3.46Å; M574-G576 VanDerWaalsContact O-N 3.16Å; M574-D577 VanDerWaalsContact CB-OD2 3.28Å; M574-D577 WeakPolarHBondContact CB-OD2 3.45Å; M574-D577 PolarHBondContact N-OD2 3.29Å; M574-D577 PolarHBondContact O-N 3.19Å; M574-D577 VanDerWaalsContact O-N 3.14Å; M574-H651 CarbonylContact C-O 3.57Å; M574-H651 HydrophobicContact CE-CB 4.35Å; M574-H651 HydrophobicContact SD-CB 4.17Å; M574-D653 WeakPolarHBondContact CE-O 3.2Å
575	S	90.5	Very high	88.7	Confident	60 Å²	60	67.2 Å²	67.2	42%	0.42	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	113.2	177.4	-176.2	0	0	0	0	110.3	A622 H651	S575-A622 CarbonylContact C-O 3.46Å; S575-A622 VanDerWaalsContact CA-O 3.29Å; S575-A622 WeakPolarHBondContact CA-O 3.48Å; S575-H651 WeakPolarHBondContact CB-O 3.36Å; S575-H651 PolarHBondContact N-O 3.32Å
576	G	87.2	Confident	89.5	Confident	50 Å²	50	68.6 Å²	68.6	52%	0.515	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.2	-13.1	-175.4	0	0	0	0	0	115.1	M574 A622	M574-G576 PolarHBondContact O-N 3.46Å; M574-G576 VanDerWaalsContact O-N 3.16Å; G576-A622 PolarHBondContact N-O 2.98Å
577	D	89.9	Confident	89.9	Confident	81 Å²	81	67 Å²	67	43%	0.433	34%	0.336	S	S	.	.			trans	-72.9	152	175.1	-71.3	-13.6	0	0	0	112.1	V573 M574 A622	V573-D577 HydrophobicContact CG1-CB 3.8Å; M574-D577 VanDerWaalsContact CB-OD2 3.28Å; M574-D577 WeakPolarHBondContact CB-OD2 3.45Å; M574-D577 PolarHBondContact N-OD2 3.29Å; M574-D577 PolarHBondContact O-N 3.19Å; M574-D577 VanDerWaalsContact O-N 3.14Å; D577-A622 WeakPolarHBondContact O-CB 3.42Å; D577-A622 PolarHBondContact O-N 3.29Å
578	D	90.3	Very high	90.3	Very high	81 Å²	81	67.6 Å²	67.6	43%	0.433	34%	0.34	S	S	.	.			trans	-88.3	136.7	165.7	-78.3	4.5	0	0	0	110.2	L618 I619 I620 G621	D578-L618 HydrophobicContact CB-CD1 4.38Å; D578-I619 WeakPolarHBondContact CA-O 3.42Å; D578-I620 VanDerWaalsContact OD1-CA 3.26Å; D578-I620 WeakPolarHBondContact OD1-CA 3.43Å; D578-G621 PolarHBondContact OD1-N 3.43Å
579	V	91.1	Very high	90.3	Very high	19 Å²	19	64.1 Å²	64.1	12%	0.115	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129	179.7	60.1	0	0	0	0	112.7	V573 L581 L618 I619	V573-V579 HydrophobicContact CG1-CB 4.1Å; V573-V579 HydrophobicContact CG1-CG1 4.06Å; V573-V579 HydrophobicContact CG2-CB 4.06Å; V573-V579 HydrophobicContact CG2-CG1 3.98Å; V573-V579 HydrophobicContact CG2-CG2 3.97Å; V579-L581 HydrophobicContact CG2-CD2 4.24Å; V579-L618 WeakPolarHBondContact O-CA 3.48Å; V579-I619 HydrophobicContact CG1-CB 3.7Å; V579-I619 HydrophobicContact CG1-CD1 3.86Å; V579-I619 HydrophobicContact CG1-CG1 4.01Å; V579-I619 PolarHBondContact N-O 2.9Å; V579-I619 PolarHBondContact O-N 3.45Å
580	L	91.7	Very high	90.3	Very high	32 Å²	32	61.8 Å²	61.8	17%	0.168	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.1	174.7	-177.6	62.3	0	0	0	111.3	Q582 L618 Y844	L580-Q582 HydrophobicContact CD2-CG 4.13Å; L580-Q582 HydrophobicContact CG-CG 4.16Å; L580-Q582 PolarHBondContact O-N 3.14Å; L580-L618 HydrophobicContact CB-CD1 4.34Å; L580-L618 HydrophobicContact CD1-CB 4.38Å; L580-Y844 HydrophobicContact CD2-CE1 3.96Å; L580-Y844 HydrophobicContact CD2-CE2 4.4Å
581	L	92.7	Very high	90.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	92.6	166.7	-51.7	-173	0	0	0	108.6	R571 V579 W594 G616 L617 I619 Y630 Y646 V648	R571-L581 HydrophobicContact CG-CD2 4.1Å; V579-L581 HydrophobicContact CG2-CD2 4.24Å; L581-W594 HydrophobicContact CB-CH2 3.61Å; L581-W594 HydrophobicContact CB-CZ2 4.42Å; L581-W594 HydrophobicContact CB-CZ3 4.09Å; L581-W594 HydrophobicContact CD1-CZ3 4.19Å; L581-W594 VanDerWaalsContact O-CH2 3.28Å; L581-W594 WeakPolarHBondContact O-CH2 3.38Å; L581-W594 WeakPolarHBondContact O-CZ2 3.08Å; L581-G616 CarbonylContact O-C 3.56Å; L581-G616 VanDerWaalsContact O-CA 3.23Å; L581-G616 WeakPolarHBondContact O-CA 3.49Å; L581-L617 HydrophobicContact CB-CB 4.46Å; L581-L617 HydrophobicContact CD1-CD2 4.43Å; L581-L617 PolarHBondContact N-O 3.35Å; L581-L617 PolarHBondContact O-N 3.46Å; L581-I619 HydrophobicContact CD1-CD1 4.2Å; L581-I619 HydrophobicContact CG-CD1 4.47Å; L581-Y630 HydrophobicContact CD1-CD1 3.92Å; L581-Y630 HydrophobicContact CD1-CD2 3.98Å; L581-Y630 HydrophobicContact CD1-CE1 4.46Å; L581-Y630 HydrophobicContact CD1-CG 3.64Å; L581-Y646 HydrophobicContact CB-CD1 4.49Å; L581-Y646 HydrophobicContact CB-CD2 4.22Å; L581-Y646 HydrophobicContact CB-CE1 4.42Å; L581-Y646 HydrophobicContact CB-CE2 4.15Å; L581-Y646 HydrophobicContact CB-CG 4.38Å; L581-Y646 HydrophobicContact CD1-CG 4.27Å; L581-Y646 HydrophobicContact CD2-CD1 3.85Å; L581-Y646 HydrophobicContact CD2-CE1 4.17Å; L581-Y646 HydrophobicContact CD2-CG 4.23Å; L581-V648 HydrophobicContact CD1-CG2 3.89Å; L581-V648 HydrophobicContact CD2-CG2 3.94Å
582	Q	91.6	Very high	89.9	Confident	54 Å²	54	51.9 Å²	51.9	25%	0.252	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	141.9	179.1	-63.8	170.8	-66.9	0	0	111.6	L580 D615 Y646	L580-Q582 HydrophobicContact CD2-CG 4.13Å; L580-Q582 HydrophobicContact CG-CG 4.16Å; L580-Q582 PolarHBondContact O-N 3.14Å; Q582-D615 CarbonylContact C-O 3.59Å; Q582-D615 WeakPolarHBondContact CA-O 3.37Å; Q582-Y646 PolarHBondContact N-OH 2.92Å; Q582-Y646 VanDerWaalsContact O-CE2 3.24Å; Q582-Y646 WeakPolarHBondContact O-CE2 3.39Å; Q582-Y646 VanDerWaalsContact O-CZ 3.32Å; Q582-Y646 PolarHBondContact O-OH 3.45Å
583	C	88.9	Confident	89.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.			trans	-135.7	90	171	-175.6	0	0	0	0	108.7	L585 W594 D615 C632 Y644	C583-L585 PolarHBondContact O-N 2.59Å; C583-W594 HydrophobicContact CB-CH2 4.2Å; C583-W594 HydrophobicContact CB-CZ2 3.54Å; C583-D615 PolarHBondContact N-O 3.48Å; C583-C632 HydrophobicContact CB-CB 3.75Å; C583-C632 WeakPolarHBondContact CB-SG 3.49Å; C583-C632 WeakPolarHBondContact SG-CB 3.36Å; C583-C632 CovalentContact SG-SG 2.03Å; C583-C632 PolarHBondContact SG-SG 3.21Å; C583-Y644 HydrophobicContact CB-CD2 4.18Å; C583-Y644 HydrophobicContact CB-CE2 4.47Å
584	E	87.2	Confident	89.9	Confident	97 Å²	97	51.8 Å²	51.8	45%	0.453	28%	0.277	S	S	.	.			trans	-76	107.2	-177.4	-60.3	137.2	153	0	0	108.1	R569 Y644	R569-E584 IonicContact NH1-OE2 3.86Å; R569-E584 IonicContact NH2-OE2 2.76Å; R569-E584 PolarHBondContact NH2-OE2 2.96Å; E584-Y644 WeakPolarHBondContact CB-OH 3.01Å; E584-Y644 PolarHBondContact OE2-OH 3.39Å
585	L	87.6	Confident	90	Very high	44 Å²	44	49 Å²	49	23%	0.23	26%	0.264	C	S	.	.			trans	-85.6	141.2	178.1	-56.2	-172.3	0	0	0	110.2	C583 A590 P592 A634	C583-L585 PolarHBondContact O-N 2.59Å; L585-A590 HydrophobicContact CD1-CB 4.04Å; L585-A590 WeakPolarHBondContact CD1-O 3.36Å; L585-P592 HydrophobicContact CD1-CB 4.13Å; L585-P592 HydrophobicContact CD1-CG 4.43Å; L585-A634 HydrophobicContact CD2-CB 3.96Å
586	R	84.6	Confident	90	Very high	138 Å²	138	47.1 Å²	47.1	52%	0.521	25%	0.249	S	C	.	.	S	Bend	trans	-78	-33.2	177.8	-78.2	-177.8	162.9	-135.9	-9.4	113.8	R512 T514 D518	R512-R586 PolarHBondContact O-NH1 3.18Å; T514-R586 VanDerWaalsContact OG1-CZ 3.3Å; T514-R586 PolarHBondContact OG1-NH1 3.42Å; T514-R586 PolarHBondContact OG1-NH2 2.6Å; D518-R586 WeakPolarHBondContact OD2-CD 3.35Å; D518-R586 IonicContact OD2-CZ 3.71Å; D518-R586 IonicContact OD2-NE 2.72Å; D518-R586 IonicContact OD2-NH1 3.85Å; D518-R586 PolarHBondContact OD2-NH1 3.22Å
587	S	91.2	Very high	90.2	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.042	25%	0.25	C	C	.	.			trans	-101.3	131.3	-177.9	171.3	0	0	0	0	110.4	R38 L589 A590 E636	R38-S587 VanDerWaalsContact CG-OG 3.26Å; R38-S587 WeakPolarHBondContact CG-OG 3.35Å; R38-S587 CarbonylContact O-C 3.55Å; R38-S587 VanDerWaalsContact O-CA 3.29Å; R38-S587 WeakPolarHBondContact O-CA 3.42Å; S587-L589 PolarHBondContact O-N 3.05Å; S587-L589 PolarHBondContact OG-N 3.24Å; S587-A590 WeakPolarHBondContact O-CB 3.47Å; S587-A590 PolarHBondContact O-N 3.02Å; S587-A590 VanDerWaalsContact O-N 3.16Å; S587-E636 VanDerWaalsContact CB-OE1 3.28Å; S587-E636 WeakPolarHBondContact CB-OE1 3.39Å; S587-E636 VanDerWaalsContact CB-OE2 3.31Å; S587-E636 WeakPolarHBondContact CB-OE2 3.24Å; S587-E636 VanDerWaalsContact OG-CD 3.26Å; S587-E636 PolarHBondContact OG-OE1 3.37Å
588	N	92.5	Very high	90	Very high	83 Å²	83	48.5 Å²	48.5	44%	0.444	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17	171.9	-59.2	-33	0	0	0	112.3	T36 P37 R38 T40	T36-N588 HydrophobicContact CG2-CB 4.2Å; P37-N588 WeakPolarHBondContact O-CB 3.23Å; P37-N588 PolarHBondContact O-ND2 2.65Å; R38-N588 PolarHBondContact O-N 2.97Å; T40-N588 PolarHBondContact OG1-ND2 3.27Å
589	L	91.6	Very high	90	Very high	66 Å²	66	52.5 Å²	52.5	35%	0.346	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-9.2	175.6	-53.3	179	0	0	0	112.6	T36 R38 S587	T36-L589 HydrophobicContact CG2-CD2 4.06Å; R38-L589 HydrophobicContact CB-CD1 4.02Å; R38-L589 HydrophobicContact CB-CG 4.41Å; R38-L589 HydrophobicContact CG-CD1 4.08Å; R38-L589 HydrophobicContact CG-CG 4.38Å; S587-L589 PolarHBondContact O-N 3.05Å; S587-L589 PolarHBondContact OG-N 3.24Å
590	A	90.5	Very high	89.8	Confident	13 Å²	13	55.7 Å²	55.7	11%	0.107	29%	0.286	C	S	.	.			trans	-86.1	145.2	-179.4	0	0	0	0	0	112	L585 S587 A634 V635 E636	L585-A590 HydrophobicContact CD1-CB 4.04Å; L585-A590 WeakPolarHBondContact CD1-O 3.36Å; S587-A590 WeakPolarHBondContact O-CB 3.47Å; S587-A590 PolarHBondContact O-N 3.02Å; S587-A590 VanDerWaalsContact O-N 3.16Å; A590-A634 HydrophobicContact CB-CB 4.31Å; A590-V635 WeakPolarHBondContact CA-O 3.48Å; A590-E636 HydrophobicContact CB-CB 4.08Å
591	T	89.1	Confident	89.5	Confident	85 Å²	85	55.8 Å²	55.8	52%	0.521	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.5	176.2	54.3	0	0	0	0	112	V635	T591-V635 PolarHBondContact N-O 3.32Å; T591-V635 PolarHBondContact O-N 2.93Å; T591-V635 PolarHBondContact OG1-O 3.36Å
592	P	88.4	Confident	88.3	Confident	25 Å²	25	63.4 Å²	63.4	16%	0.162	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.3	-175.9	31.3	-32.8	0	0	0	112	L585 V612 G613 F633	L585-P592 HydrophobicContact CD1-CB 4.13Å; L585-P592 HydrophobicContact CD1-CG 4.43Å; P592-V612 HydrophobicContact CG-CG1 4.44Å; P592-G613 WeakPolarHBondContact CG-O 3.5Å; P592-F633 WeakPolarHBondContact CA-O 3.44Å
593	R	89.6	Confident	86.7	Confident	81 Å²	81	62.1 Å²	62.1	31%	0.306	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.4	173.9	-168.6	-178.8	72.9	91.3	0.7	110.6	E600 F633 V635 S640	R593-E600 WeakPolarHBondContact CD-OE1 3.43Å; R593-E600 IonicContact CZ-OE1 2.81Å; R593-E600 IonicContact NE-OE1 3.82Å; R593-E600 IonicContact NH1-OE1 3.56Å; R593-E600 PolarHBondContact NH1-OE1 2.72Å; R593-F633 HydrophobicContact CB-CB 4.43Å; R593-F633 PolarHBondContact N-O 3.21Å; R593-F633 PolarHBondContact O-N 2.99Å; R593-V635 HydrophobicContact CB-CG2 3.61Å; R593-V635 HydrophobicContact CG-CG2 4.48Å; R593-S640 PolarHBondContact NE-OG 2.9Å; R593-S640 PolarHBondContact NH2-OG 2.94Å
594	W	91.4	Very high	85.2	Confident	6 Å²	6	72 Å²	72	2%	0.023	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.8	-172.9	-73.8	89.3	0	0	0	113.6	L581 C583 L601 L617 R631 C632 Y646	L581-W594 HydrophobicContact CB-CH2 3.61Å; L581-W594 HydrophobicContact CB-CZ2 4.42Å; L581-W594 HydrophobicContact CB-CZ3 4.09Å; L581-W594 HydrophobicContact CD1-CZ3 4.19Å; L581-W594 VanDerWaalsContact O-CH2 3.28Å; L581-W594 WeakPolarHBondContact O-CH2 3.38Å; L581-W594 WeakPolarHBondContact O-CZ2 3.08Å; C583-W594 HydrophobicContact CB-CH2 4.2Å; C583-W594 HydrophobicContact CB-CZ2 3.54Å; W594-L601 HydrophobicContact CB-CB 4.38Å; W594-L601 HydrophobicContact CB-CD1 4.19Å; W594-L601 PolarHBondContact O-N 3.47Å; W594-L617 HydrophobicContact CB-CD2 4.46Å; W594-L617 HydrophobicContact CD2-CB 3.69Å; W594-L617 HydrophobicContact CD2-CD2 3.96Å; W594-L617 HydrophobicContact CD2-CG 4.46Å; W594-L617 VanDerWaalsContact CE2-CB 3.45Å; W594-L617 HydrophobicContact CE3-CB 4.11Å; W594-L617 HydrophobicContact CE3-CD2 3.84Å; W594-L617 HydrophobicContact CG-CB 4.15Å; W594-L617 HydrophobicContact CG-CD2 4.26Å; W594-L617 HydrophobicContact CH2-CB 4.07Å; W594-L617 HydrophobicContact CZ2-CB 3.65Å; W594-L617 HydrophobicContact CZ3-CB 4.29Å; W594-L617 HydrophobicContact CZ3-CD2 4.35Å; W594-R631 WeakPolarHBondContact CA-O 3.37Å; W594-C632 HydrophobicContact CD2-CB 3.93Å; W594-C632 HydrophobicContact CE3-CB 3.92Å; W594-C632 HydrophobicContact CH2-CB 3.72Å; W594-C632 HydrophobicContact CZ2-CB 3.71Å; W594-C632 HydrophobicContact CZ3-CB 3.82Å; W594-Y646 HydrophobicContact CH2-CD2 4.08Å; W594-Y646 HydrophobicContact CH2-CE2 4.04Å; W594-Y646 HydrophobicContact CZ3-CD2 4.13Å
595	T	92.1	Very high	83.8	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.055	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.3	170.9	70.4	0	0	0	0	111.3	K599 Y630 R631 F633	T595-K599 CarbonylContact C-O 3.59Å; T595-K599 WeakPolarHBondContact CA-O 3.33Å; T595-K599 VanDerWaalsContact CB-O 3.24Å; T595-K599 WeakPolarHBondContact CB-O 3.38Å; T595-Y630 CarbonylContact O-C 3.48Å; T595-Y630 WeakPolarHBondContact O-CA 3.44Å; T595-R631 PolarHBondContact N-O 3.48Å; T595-R631 PolarHBondContact O-N 1.81Å; T595-R631 WeakPolarHBondContact OG1-CB 3.47Å; T595-R631 WeakPolarHBondContact OG1-CG 3.14Å; T595-F633 HydrophobicContact CG2-CD2 4.43Å; T595-F633 HydrophobicContact CG2-CE2 3.83Å
596	L	91.7	Very high	82.5	Confident	19 Å²	19	72.4 Å²	72.4	10%	0.099	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.2	169.2	171.4	57.6	0	0	0	109.7	G598 K599 L601 Y610 Y630	L596-G598 PolarHBondContact O-N 2.85Å; L596-G598 VanDerWaalsContact O-N 3.1Å; L596-K599 PolarHBondContact N-O 2.89Å; L596-K599 PolarHBondContact O-N 3.46Å; L596-L601 HydrophobicContact CB-CD1 4.07Å; L596-L601 HydrophobicContact CB-CD2 3.79Å; L596-L601 HydrophobicContact CB-CG 3.96Å; L596-L601 HydrophobicContact CD2-CD2 4.37Å; L596-Y610 WeakPolarHBondContact CD2-OH 3.45Å; L596-Y630 HydrophobicContact CB-CD1 4.27Å; L596-Y630 HydrophobicContact CB-CE1 4.13Å; L596-Y630 HydrophobicContact CD1-CD1 4.28Å; L596-Y630 HydrophobicContact CD1-CD2 3.83Å; L596-Y630 HydrophobicContact CD1-CE1 4.06Å; L596-Y630 HydrophobicContact CD1-CE2 3.57Å; L596-Y630 HydrophobicContact CD1-CG 4.17Å; L596-Y630 HydrophobicContact CD2-CE1 4.2Å; L596-Y630 HydrophobicContact CG-CE1 4.36Å
597	N	91.1	Very high	81.5	Confident	99 Å²	99	71.3 Å²	71.3	53%	0.529	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.1	177.6	-59.4	-32.2	0	0	0	112.8	K599 G628 S629	N597-K599 VanDerWaalsContact C-N 3.33Å; N597-K599 PolarHBondContact O-N 3.44Å; N597-G628 WeakPolarHBondContact OD1-CA 3.22Å; N597-S629 PolarHBondContact N-O 2.83Å; N597-S629 PolarHBondContact OD1-N 2.96Å
598	G	85.7	Confident	80.6	Confident	61 Å²	61	73.7 Å²	73.7	63%	0.629	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-10.4	-177.9	0	0	0	0	0	115.9	L596	L596-G598 PolarHBondContact O-N 2.85Å; L596-G598 VanDerWaalsContact O-N 3.1Å
599	K	88.8	Confident	80.1	Confident	166 Å²	166	69.8 Å²	69.8	72%	0.722	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	140.7	173.6	-63.3	-175.1	179.2	-177.3	0	110.6	T595 L596 N597	T595-K599 CarbonylContact C-O 3.59Å; T595-K599 WeakPolarHBondContact CA-O 3.33Å; T595-K599 VanDerWaalsContact CB-O 3.24Å; T595-K599 WeakPolarHBondContact CB-O 3.38Å; L596-K599 PolarHBondContact N-O 2.89Å; L596-K599 PolarHBondContact O-N 3.46Å; N597-K599 VanDerWaalsContact C-N 3.33Å; N597-K599 PolarHBondContact O-N 3.44Å
600	E	87.7	Confident	79.9	Confident	86 Å²	86	68 Å²	68	40%	0.402	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.9	176.6	-171.5	164.6	-97.1	0	0	111.8	R593 Q602	R593-E600 WeakPolarHBondContact CD-OE1 3.43Å; R593-E600 IonicContact CZ-OE1 2.81Å; R593-E600 IonicContact NE-OE1 3.82Å; R593-E600 IonicContact NH1-OE1 3.56Å; R593-E600 PolarHBondContact NH1-OE1 2.72Å; E600-Q602 HydrophobicContact CG-CG 4.04Å; E600-Q602 PolarHBondContact O-N 2.81Å; E600-Q602 PolarHBondContact OE2-NE2 3.43Å
601	L	84.5	Confident	79.6	Confident	33 Å²	33	71.3 Å²	71.3	17%	0.173	38%	0.377	C	S	.	.			trans	-88.1	83.8	175.6	-72.1	176	0	0	0	109.9	W594 L596 Y610 L617 Y630	W594-L601 HydrophobicContact CB-CB 4.38Å; W594-L601 HydrophobicContact CB-CD1 4.19Å; W594-L601 PolarHBondContact O-N 3.47Å; L596-L601 HydrophobicContact CB-CD1 4.07Å; L596-L601 HydrophobicContact CB-CD2 3.79Å; L596-L601 HydrophobicContact CB-CG 3.96Å; L596-L601 HydrophobicContact CD2-CD2 4.37Å; L601-Y610 HydrophobicContact CD2-CD2 4.31Å; L601-Y610 HydrophobicContact CD2-CE2 3.94Å; L601-L617 HydrophobicContact CD1-CD2 3.54Å; L601-Y630 HydrophobicContact CD1-CD1 3.85Å; L601-Y630 HydrophobicContact CD1-CE1 3.75Å
602	Q	68.3	Low	79.2	Confident	161 Å²	161	68.2 Å²	68.2	75%	0.752	36%	0.358	S	S	*	.			trans	-83.9	114.7	172	-61.2	-160.5	-5.2	0	0	110.4	E600	E600-Q602 HydrophobicContact CG-CG 4.04Å; E600-Q602 PolarHBondContact O-N 2.81Å; E600-Q602 PolarHBondContact OE2-NE2 3.43Å
603	G	58.8	Low	78.6	Confident	26 Å²	26	68.6 Å²	68.6	27%	0.268	37%	0.367	S	S	.	.			trans	163.3	105.4	173.3	0	0	0	0	0	115.5	G605	G603-G605 PolarHBondContact O-N 2.85Å
604	Y	56.3	Low	77.8	Confident	209 Å²	209	69.4 Å²	69.4	82%	0.82	38%	0.381	S	S	*	.			trans	-87.7	51.2	159.9	-69.6	-80	0	0	0	110.4	V612	Y604-V612 HydrophobicContact CE1-CB 4.34Å
605	G	58.2	Low	76.9	Confident	19 Å²	19	73.4 Å²	73.4	20%	0.196	40%	0.403	C	S	.	.			trans	-138.5	121.1	-167.1	0	0	0	0	0	113.7	G603 S607 T608	G603-G605 PolarHBondContact O-N 2.85Å; G605-S607 PolarHBondContact O-N 2.87Å; G605-S607 VanDerWaalsContact O-N 3.09Å; G605-T608 PolarHBondContact O-N 2.94Å; G605-T608 PolarHBondContact O-OG1 2.95Å
606	L	60.5	Low	76.7	Confident	130 Å²	130	73.1 Å²	73.1	68%	0.681	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-52.7	-29.9	173.6	-71.5	163.5	0	0	0	112.5	T608 G609 I620	L606-T608 PolarHBondContact O-N 2.81Å; L606-G609 PolarHBondContact O-N 2.63Å; L606-I620 HydrophobicContact CD2-CD1 3.97Å
607	S	63.4	Low	76.6	Confident	115 Å²	115	72.2 Å²	72.2	80%	0.804	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.1	174.4	50.7	0	0	0	0	114.7	G605	G605-S607 PolarHBondContact O-N 2.87Å; G605-S607 VanDerWaalsContact O-N 3.09Å
608	T	72.9	Confident	76.6	Confident	55 Å²	55	68 Å²	68	34%	0.337	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-87.5	-14.1	-177.9	67.8	0	0	0	0	113.8	G605 L606 Y610	G605-T608 PolarHBondContact O-N 2.94Å; G605-T608 PolarHBondContact O-OG1 2.95Å; L606-T608 PolarHBondContact O-N 2.81Å; T608-Y610 VanDerWaalsContact C-N 3.33Å; T608-Y610 WeakPolarHBondContact O-CD2 3.49Å; T608-Y610 PolarHBondContact OG1-N 2.61Å
609	G	81.6	Confident	76.9	Confident	2 Å²	2	65.2 Å²	65.2	2%	0.021	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	20.7	-170.3	0	0	0	0	0	114.3	L606 I620 Q626	L606-G609 PolarHBondContact O-N 2.63Å; G609-I620 PolarHBondContact O-N 2.9Å; G609-Q626 PolarHBondContact O-NE2 3.33Å
610	Y	86.6	Confident	76.8	Confident	29 Å²	29	58.8 Å²	58.8	11%	0.114	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.7	177.5	-61.1	-68.7	0	0	0	111.6	L596 L601 T608 L617 L618 I619 Q626 Y630	L596-Y610 WeakPolarHBondContact CD2-OH 3.45Å; L601-Y610 HydrophobicContact CD2-CD2 4.31Å; L601-Y610 HydrophobicContact CD2-CE2 3.94Å; T608-Y610 VanDerWaalsContact C-N 3.33Å; T608-Y610 WeakPolarHBondContact O-CD2 3.49Å; T608-Y610 PolarHBondContact OG1-N 2.61Å; Y610-L617 HydrophobicContact CD1-CD1 4.12Å; Y610-L617 HydrophobicContact CG-CD1 4.48Å; Y610-L618 CarbonylContact C-O 3.45Å; Y610-L618 WeakPolarHBondContact CA-O 3.39Å; Y610-I619 HydrophobicContact CD1-CB 4.42Å; Y610-I619 HydrophobicContact CD1-CG1 4.1Å; Y610-I619 HydrophobicContact CD1-CG2 4.27Å; Y610-I619 HydrophobicContact CE1-CB 4.48Å; Y610-I619 HydrophobicContact CE1-CD1 4.48Å; Y610-I619 HydrophobicContact CE1-CG1 4.04Å; Y610-I619 HydrophobicContact CE1-CG2 4.02Å; Y610-Q626 VanDerWaalsContact CZ-NE2 3.33Å; Y610-Q626 WeakPolarHBondContact OH-CB 3.34Å; Y610-Q626 WeakPolarHBondContact OH-CG 3.13Å; Y610-Y630 AromaticContact CE1-CE1 3.96Å; Y610-Y630 HydrophobicContact CE1-CE1 3.96Å; Y610-Y630 WeakPolarHBondContact CE1-OH 3.37Å; Y610-Y630 PolarHBondContact OH-OH 3.38Å
611	R	84.7	Confident	76.9	Confident	81 Å²	81	55.9 Å²	55.9	31%	0.306	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	112.3	167.2	-178	-175.9	-175.2	102.4	0.9	109.7	L618 I620 S834	R611-L618 HydrophobicContact CB-CB 4.31Å; R611-L618 PolarHBondContact N-O 3.26Å; R611-L618 PolarHBondContact O-N 2.87Å; R611-I620 HydrophobicContact CB-CD1 4.21Å; R611-S834 PolarHBondContact NH2-O 3.05Å; R611-S834 PolarHBondContact NH2-OG 2.89Å
612	V	81.5	Confident	77.2	Confident	20 Å²	20	54.3 Å²	54.3	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.3	168	-178.8	0	0	0	0	108.8	P592 Y604 L617	P592-V612 HydrophobicContact CG-CG1 4.44Å; Y604-V612 HydrophobicContact CE1-CB 4.34Å; V612-L617 HydrophobicContact CG2-CD1 3.95Å
613	G	76.3	Confident	78.2	Confident	34 Å²	34	51.5 Å²	51.5	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-178.9	165.4	0	0	0	0	0	110.9	P592 D615 G616	P592-G613 WeakPolarHBondContact CG-O 3.5Å; G613-D615 VanDerWaalsContact C-N 3.27Å; G613-D615 PolarHBondContact O-N 3.01Å; G613-G616 PolarHBondContact N-O 3.13Å
614	T	72.4	Confident	79.6	Confident	97 Å²	97	54.4 Å²	54.4	60%	0.595	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-42.7	172.6	41.8	0	0	0	0	112
615	D	72.1	Confident	81	Confident	90 Å²	90	51.5 Å²	51.5	48%	0.481	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.2	-167.6	-48.3	1.7	0	0	0	112.7	Q582 C583 G613	Q582-D615 CarbonylContact C-O 3.59Å; Q582-D615 WeakPolarHBondContact CA-O 3.37Å; C583-D615 PolarHBondContact N-O 3.48Å; G613-D615 VanDerWaalsContact C-N 3.27Å; G613-D615 PolarHBondContact O-N 3.01Å
616	G	87.1	Confident	82.4	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-167.9	-177.4	0	0	0	0	0	115.6	L581 G613	L581-G616 CarbonylContact O-C 3.56Å; L581-G616 VanDerWaalsContact O-CA 3.23Å; L581-G616 WeakPolarHBondContact O-CA 3.49Å; G613-G616 PolarHBondContact N-O 3.13Å
617	L	90.8	Very high	83.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117	177.6	168.8	65.5	0	0	0	110.1	L581 W594 L601 Y610 V612 Y630	L581-L617 HydrophobicContact CB-CB 4.46Å; L581-L617 HydrophobicContact CD1-CD2 4.43Å; L581-L617 PolarHBondContact N-O 3.35Å; L581-L617 PolarHBondContact O-N 3.46Å; W594-L617 HydrophobicContact CB-CD2 4.46Å; W594-L617 HydrophobicContact CD2-CB 3.69Å; W594-L617 HydrophobicContact CD2-CD2 3.96Å; W594-L617 HydrophobicContact CD2-CG 4.46Å; W594-L617 VanDerWaalsContact CE2-CB 3.45Å; W594-L617 HydrophobicContact CE3-CB 4.11Å; W594-L617 HydrophobicContact CE3-CD2 3.84Å; W594-L617 HydrophobicContact CG-CB 4.15Å; W594-L617 HydrophobicContact CG-CD2 4.26Å; W594-L617 HydrophobicContact CH2-CB 4.07Å; W594-L617 HydrophobicContact CZ2-CB 3.65Å; W594-L617 HydrophobicContact CZ3-CB 4.29Å; W594-L617 HydrophobicContact CZ3-CD2 4.35Å; L601-L617 HydrophobicContact CD1-CD2 3.54Å; Y610-L617 HydrophobicContact CD1-CD1 4.12Å; Y610-L617 HydrophobicContact CG-CD1 4.48Å; V612-L617 HydrophobicContact CG2-CD1 3.95Å; L617-Y630 HydrophobicContact CD2-CD1 3.55Å; L617-Y630 HydrophobicContact CD2-CE1 3.71Å
618	L	90.5	Very high	85.3	Confident	12 Å²	12	41 Å²	41	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.6	166.2	-176.7	71.9	0	0	0	109.2	D578 V579 L580 Y610 R611 I620 L836 L846	D578-L618 HydrophobicContact CB-CD1 4.38Å; V579-L618 WeakPolarHBondContact O-CA 3.48Å; L580-L618 HydrophobicContact CB-CD1 4.34Å; L580-L618 HydrophobicContact CD1-CB 4.38Å; Y610-L618 CarbonylContact C-O 3.45Å; Y610-L618 WeakPolarHBondContact CA-O 3.39Å; R611-L618 HydrophobicContact CB-CB 4.31Å; R611-L618 PolarHBondContact N-O 3.26Å; R611-L618 PolarHBondContact O-N 2.87Å; L618-I620 HydrophobicContact CD2-CD1 4.08Å; L618-I620 HydrophobicContact CD2-CG1 3.72Å; L618-I620 HydrophobicContact CG-CG1 3.91Å; L618-L836 HydrophobicContact CB-CD1 4.21Å; L618-L836 HydrophobicContact CD2-CD1 4.04Å; L618-L846 HydrophobicContact CD2-CD1 3.75Å
619	I	90.9	Very high	86.3	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.3	163.7	-49.3	178.6	0	0	0	106.6	D578 V579 L581 Y610 A622 Q626 Y630	D578-I619 WeakPolarHBondContact CA-O 3.42Å; V579-I619 HydrophobicContact CG1-CB 3.7Å; V579-I619 HydrophobicContact CG1-CD1 3.86Å; V579-I619 HydrophobicContact CG1-CG1 4.01Å; V579-I619 PolarHBondContact N-O 2.9Å; V579-I619 PolarHBondContact O-N 3.45Å; L581-I619 HydrophobicContact CD1-CD1 4.2Å; L581-I619 HydrophobicContact CG-CD1 4.47Å; Y610-I619 HydrophobicContact CD1-CB 4.42Å; Y610-I619 HydrophobicContact CD1-CG1 4.1Å; Y610-I619 HydrophobicContact CD1-CG2 4.27Å; Y610-I619 HydrophobicContact CE1-CB 4.48Å; Y610-I619 HydrophobicContact CE1-CD1 4.48Å; Y610-I619 HydrophobicContact CE1-CG1 4.04Å; Y610-I619 HydrophobicContact CE1-CG2 4.02Å; I619-A622 HydrophobicContact CG2-CB 4.23Å; I619-Q626 HydrophobicContact CG2-CB 4.41Å; I619-Y630 HydrophobicContact CD1-CE1 4.06Å; I619-Y630 HydrophobicContact CD1-CE2 4Å; I619-Y630 WeakPolarHBondContact CD1-OH 3.39Å
620	I	88.7	Confident	86.9	Confident	32 Å²	32	40.2 Å²	40.2	16%	0.164	23%	0.229	C	C	.	.	S	Bend	trans	-110	124.1	-174.9	-53.7	175.9	0	0	0	109.3	D578 L606 G609 R611 L618	D578-I620 VanDerWaalsContact OD1-CA 3.26Å; D578-I620 WeakPolarHBondContact OD1-CA 3.43Å; L606-I620 HydrophobicContact CD2-CD1 3.97Å; G609-I620 PolarHBondContact O-N 2.9Å; R611-I620 HydrophobicContact CB-CD1 4.21Å; L618-I620 HydrophobicContact CD2-CD1 4.08Å; L618-I620 HydrophobicContact CD2-CG1 3.72Å; L618-I620 HydrophobicContact CG-CG1 3.91Å
621	G	88.6	Confident	87.2	Confident	24 Å²	24	43.4 Å²	43.4	25%	0.247	24%	0.241	C	C	.	.	S	Bend	trans	55.2	64.8	-176.3	0	0	0	0	0	111.8	D578 R623 Q626	D578-G621 PolarHBondContact OD1-N 3.43Å; G621-R623 PolarHBondContact O-N 3.24Å; G621-R623 PolarHBondContact O-NE 2.99Å; G621-Q626 PolarHBondContact O-OE1 2.72Å
622	A	90.1	Very high	87.6	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.008	23%	0.226	C	C	.	.			trans	-56	120.8	-168.4	0	0	0	0	0	112.2	V573 S575 G576 D577 I619 V650	V573-A622 HydrophobicContact CG1-CB 3.88Å; S575-A622 CarbonylContact C-O 3.46Å; S575-A622 VanDerWaalsContact CA-O 3.29Å; S575-A622 WeakPolarHBondContact CA-O 3.48Å; G576-A622 PolarHBondContact N-O 2.98Å; D577-A622 WeakPolarHBondContact O-CB 3.42Å; D577-A622 PolarHBondContact O-N 3.29Å; I619-A622 HydrophobicContact CG2-CB 4.23Å; A622-V650 HydrophobicContact CB-CG1 4.34Å; A622-V650 HydrophobicContact CB-CG2 4.14Å
623	R	89.6	Confident	88	Confident	102 Å²	102	39.9 Å²	39.9	39%	0.385	23%	0.226	S	C	.	.			trans	-105.2	155.7	176.5	-74	155.9	-79.7	-167.9	-9.4	111.3	G621 Q625 Q626	G621-R623 PolarHBondContact O-N 3.24Å; G621-R623 PolarHBondContact O-NE 2.99Å; R623-Q625 HydrophobicContact CB-CG 4.03Å; R623-Q625 PolarHBondContact O-N 3.06Å; R623-Q626 HydrophobicContact CB-CG 4.33Å; R623-Q626 WeakPolarHBondContact O-CA 3.28Å; R623-Q626 VanDerWaalsContact O-CB 3.3Å; R623-Q626 WeakPolarHBondContact O-CB 3.23Å; R623-Q626 PolarHBondContact O-N 3.47Å
624	T	87.8	Confident	88.7	Confident	86 Å²	86	38.9 Å²	38.9	53%	0.528	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-52.5	-39.5	177.7	50	0	0	0	0	113.5	Q626 G627 T652	T624-Q626 PolarHBondContact O-N 2.86Å; T624-G627 PolarHBondContact O-N 3.48Å; T624-T652 HydrophobicContact CG2-CG2 3.61Å
625	Q	86.4	Confident	89.5	Confident	148 Å²	148	35.9 Å²	35.9	69%	0.692	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-63.2	-14.9	174	71.3	-173	10.9	0	0	114.9	R623	R623-Q625 HydrophobicContact CB-CG 4.03Å; R623-Q625 PolarHBondContact O-N 3.06Å
626	Q	88.8	Confident	90.4	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.019	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-95.9	4.1	174.9	-52.8	177.9	-95.6	0	0	111.4	G609 Y610 I619 G621 R623 T624 Y630	G609-Q626 PolarHBondContact O-NE2 3.33Å; Y610-Q626 VanDerWaalsContact CZ-NE2 3.33Å; Y610-Q626 WeakPolarHBondContact OH-CB 3.34Å; Y610-Q626 WeakPolarHBondContact OH-CG 3.13Å; I619-Q626 HydrophobicContact CG2-CB 4.41Å; G621-Q626 PolarHBondContact O-OE1 2.72Å; R623-Q626 HydrophobicContact CB-CG 4.33Å; R623-Q626 WeakPolarHBondContact O-CA 3.28Å; R623-Q626 VanDerWaalsContact O-CB 3.3Å; R623-Q626 WeakPolarHBondContact O-CB 3.23Å; R623-Q626 PolarHBondContact O-N 3.47Å; T624-Q626 PolarHBondContact O-N 2.86Å; Q626-Y630 VanDerWaalsContact O-CE2 3.26Å; Q626-Y630 WeakPolarHBondContact O-CE2 3.44Å; Q626-Y630 PolarHBondContact O-OH 3.37Å
627	G	90.3	Very high	90.4	Very high	20 Å²	20	35 Å²	35	21%	0.206	19%	0.19	C	C	.	.			trans	-70.1	149.5	165.9	0	0	0	0	0	111.9	T624 V648	T624-G627 PolarHBondContact O-N 3.48Å; G627-V648 WeakPolarHBondContact CA-O 3.46Å
628	G	93.3	Very high	90.2	Very high	20 Å²	20	38.5 Å²	38.5	21%	0.206	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.4	-160.9	176.9	0	0	0	0	0	115.4	N597 V648	N597-G628 WeakPolarHBondContact OD1-CA 3.22Å; G628-V648 PolarHBondContact N-O 3.19Å; G628-V648 PolarHBondContact O-N 2.99Å
629	S	94.8	Very high	90.1	Very high	41 Å²	41	39.4 Å²	39.4	29%	0.287	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106.6	178.8	-172.5	0	0	0	0	110.4	N597 L645 Y646	N597-S629 PolarHBondContact N-O 2.83Å; N597-S629 PolarHBondContact OD1-N 2.96Å; S629-L645 WeakPolarHBondContact OG-CD1 3.44Å; S629-Y646 CarbonylContact C-O 3.59Å; S629-Y646 WeakPolarHBondContact CA-O 3.37Å
630	Y	94.2	Very high	90	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.5	173.6	-69.9	-100.6	0	0	0	109.7	L581 T595 L596 L601 Y610 L617 I619 Q626 Y646 V648	L581-Y630 HydrophobicContact CD1-CD1 3.92Å; L581-Y630 HydrophobicContact CD1-CD2 3.98Å; L581-Y630 HydrophobicContact CD1-CE1 4.46Å; L581-Y630 HydrophobicContact CD1-CG 3.64Å; T595-Y630 CarbonylContact O-C 3.48Å; T595-Y630 WeakPolarHBondContact O-CA 3.44Å; L596-Y630 HydrophobicContact CB-CD1 4.27Å; L596-Y630 HydrophobicContact CB-CE1 4.13Å; L596-Y630 HydrophobicContact CD1-CD1 4.28Å; L596-Y630 HydrophobicContact CD1-CD2 3.83Å; L596-Y630 HydrophobicContact CD1-CE1 4.06Å; L596-Y630 HydrophobicContact CD1-CE2 3.57Å; L596-Y630 HydrophobicContact CD1-CG 4.17Å; L596-Y630 HydrophobicContact CD2-CE1 4.2Å; L596-Y630 HydrophobicContact CG-CE1 4.36Å; L601-Y630 HydrophobicContact CD1-CD1 3.85Å; L601-Y630 HydrophobicContact CD1-CE1 3.75Å; Y610-Y630 AromaticContact CE1-CE1 3.96Å; Y610-Y630 HydrophobicContact CE1-CE1 3.96Å; Y610-Y630 WeakPolarHBondContact CE1-OH 3.37Å; Y610-Y630 PolarHBondContact OH-OH 3.38Å; L617-Y630 HydrophobicContact CD2-CD1 3.55Å; L617-Y630 HydrophobicContact CD2-CE1 3.71Å; I619-Y630 HydrophobicContact CD1-CE1 4.06Å; I619-Y630 HydrophobicContact CD1-CE2 4Å; I619-Y630 WeakPolarHBondContact CD1-OH 3.39Å; Q626-Y630 VanDerWaalsContact O-CE2 3.26Å; Q626-Y630 WeakPolarHBondContact O-CE2 3.44Å; Q626-Y630 PolarHBondContact O-OH 3.37Å; Y630-Y646 PolarHBondContact N-O 3.44Å; Y630-Y646 PolarHBondContact O-N 3.26Å; Y630-V648 HydrophobicContact CD2-CB 4.03Å; Y630-V648 HydrophobicContact CD2-CG2 3.54Å; Y630-V648 HydrophobicContact CE2-CB 3.87Å; Y630-V648 HydrophobicContact CE2-CG2 3.74Å
631	R	93.4	Very high	90	Very high	95 Å²	95	40.7 Å²	40.7	36%	0.358	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.4	176.3	-38.6	-176.6	78.1	155.7	3.4	108.5	W594 T595 F633 L642 Y644 L645	W594-R631 WeakPolarHBondContact CA-O 3.37Å; T595-R631 PolarHBondContact N-O 3.48Å; T595-R631 PolarHBondContact O-N 1.81Å; T595-R631 WeakPolarHBondContact OG1-CB 3.47Å; T595-R631 WeakPolarHBondContact OG1-CG 3.14Å; R631-F633 HydrophobicContact CB-CD2 4.38Å; R631-F633 HydrophobicContact CB-CE2 3.73Å; R631-F633 HydrophobicContact CB-CZ 4.24Å; R631-L642 HydrophobicContact CB-CD1 3.81Å; R631-L642 VanDerWaalsContact NH2-CD2 3.26Å; R631-Y644 WeakPolarHBondContact CA-O 3.46Å; R631-L645 HydrophobicContact CB-CD1 4.42Å; R631-L645 HydrophobicContact CG-CD1 3.71Å
632	C	91.7	Very high	90	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.3	167.5	-175.9	0	0	0	0	109.8	C583 W594 V643 Y644	C583-C632 HydrophobicContact CB-CB 3.75Å; C583-C632 WeakPolarHBondContact CB-SG 3.49Å; C583-C632 WeakPolarHBondContact SG-CB 3.36Å; C583-C632 CovalentContact SG-SG 2.03Å; C583-C632 PolarHBondContact SG-SG 3.21Å; W594-C632 HydrophobicContact CD2-CB 3.93Å; W594-C632 HydrophobicContact CE3-CB 3.92Å; W594-C632 HydrophobicContact CH2-CB 3.72Å; W594-C632 HydrophobicContact CZ2-CB 3.71Å; W594-C632 HydrophobicContact CZ3-CB 3.82Å; C632-V643 PolarHBondContact O-N 3.25Å; C632-Y644 PolarHBondContact N-O 3.15Å; C632-Y644 PolarHBondContact O-N 2.88Å
633	F	90.5	Very high	89.9	Confident	28 Å²	28	42.8 Å²	42.8	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137	173.1	-58.4	-100	0	0	0	109.8	P592 R593 T595 R631 S640 V641 L642	P592-F633 WeakPolarHBondContact CA-O 3.44Å; R593-F633 HydrophobicContact CB-CB 4.43Å; R593-F633 PolarHBondContact N-O 3.21Å; R593-F633 PolarHBondContact O-N 2.99Å; T595-F633 HydrophobicContact CG2-CD2 4.43Å; T595-F633 HydrophobicContact CG2-CE2 3.83Å; R631-F633 HydrophobicContact CB-CD2 4.38Å; R631-F633 HydrophobicContact CB-CE2 3.73Å; R631-F633 HydrophobicContact CB-CZ 4.24Å; F633-S640 WeakPolarHBondContact CB-OG 3.38Å; F633-S640 WeakPolarHBondContact CD1-OG 3.37Å; F633-S640 WeakPolarHBondContact CG-OG 3.38Å; F633-V641 CarbonylContact C-O 3.58Å; F633-V641 WeakPolarHBondContact CA-O 3.43Å; F633-L642 HydrophobicContact CD1-CB 3.88Å; F633-L642 HydrophobicContact CD1-CD1 4.28Å; F633-L642 HydrophobicContact CE1-CB 3.83Å; F633-L642 HydrophobicContact CE1-CD1 4.08Å; F633-L642 HydrophobicContact CE1-CG 4.46Å; F633-L642 HydrophobicContact CE2-CD1 4.47Å; F633-L642 HydrophobicContact CZ-CD1 4.18Å
634	A	89.9	Confident	90	Very high	13 Å²	13	38.4 Å²	38.4	11%	0.107	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.6	161.1	0	0	0	0	0	108.4	L585 A590 S640 V641 V643	L585-A634 HydrophobicContact CD2-CB 3.96Å; A590-A634 HydrophobicContact CB-CB 4.31Å; A634-S640 CarbonylContact O-C 3.38Å; A634-S640 WeakPolarHBondContact O-CA 3.38Å; A634-V641 PolarHBondContact N-O 3.41Å; A634-V641 PolarHBondContact O-N 3.31Å; A634-V643 HydrophobicContact CB-CG2 3.74Å
635	V	89.5	Confident	90.3	Very high	33 Å²	33	35.7 Å²	35.7	20%	0.2	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	112.2	173	-174.6	0	0	0	0	109.2	A590 T591 R593 V639	A590-V635 WeakPolarHBondContact CA-O 3.48Å; T591-V635 PolarHBondContact N-O 3.32Å; T591-V635 PolarHBondContact O-N 2.93Å; T591-V635 PolarHBondContact OG1-O 3.36Å; R593-V635 HydrophobicContact CB-CG2 3.61Å; R593-V635 HydrophobicContact CG-CG2 4.48Å; V635-V639 WeakPolarHBondContact CA-O 3.11Å
636	E	90.8	Very high	90.7	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.033	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.9	-177.6	-176	166.2	-155	0	0	108.1	R38 F521 S587 A590 G638 V639	R38-E636 WeakPolarHBondContact CG-OE1 3.35Å; R38-E636 IonicContact CZ-OE1 3.03Å; R38-E636 IonicContact CZ-OE2 2.89Å; R38-E636 IonicContact NE-OE1 3.15Å; R38-E636 PolarHBondContact NE-OE1 3.03Å; R38-E636 IonicContact NE-OE2 2.79Å; R38-E636 IonicContact NH2-OE1 2.73Å; R38-E636 IonicContact NH2-OE2 3.59Å; R38-E636 PolarHBondContact NH2-OE2 3.46Å; F521-E636 HydrophobicContact CB-CG 4.43Å; F521-E636 HydrophobicContact CD2-CB 3.93Å; F521-E636 HydrophobicContact CD2-CG 4.04Å; F521-E636 WeakPolarHBondContact CD2-OE2 3.42Å; F521-E636 HydrophobicContact CE2-CB 3.87Å; F521-E636 HydrophobicContact CE2-CG 4.46Å; F521-E636 HydrophobicContact CG-CB 4.49Å; F521-E636 HydrophobicContact CG-CG 4.21Å; F521-E636 HydrophobicContact CZ-CB 4.39Å; S587-E636 VanDerWaalsContact CB-OE1 3.28Å; S587-E636 WeakPolarHBondContact CB-OE1 3.39Å; S587-E636 VanDerWaalsContact CB-OE2 3.31Å; S587-E636 WeakPolarHBondContact CB-OE2 3.24Å; S587-E636 VanDerWaalsContact OG-CD 3.26Å; S587-E636 PolarHBondContact OG-OE1 3.37Å; A590-E636 HydrophobicContact CB-CB 4.08Å; E636-G638 PolarHBondContact O-N 2.93Å; E636-V639 PolarHBondContact N-O 3.3Å; E636-V639 VanDerWaalsContact N-O 3.09Å; E636-V639 PolarHBondContact O-N 2.97Å
637	N	87.4	Confident	91	Very high	69 Å²	69	31.6 Å²	31.6	37%	0.369	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	27	-175	-55.2	-26.8	0	0	0	115.1	R552 G553 T554 V639	R552-N637 PolarHBondContact O-ND2 2.67Å; G553-N637 PolarHBondContact O-ND2 3.13Å; T554-N637 HydrophobicContact CG2-CB 3.67Å; T554-N637 WeakPolarHBondContact CG2-O 3.46Å; N637-V639 VanDerWaalsContact C-N 3.31Å; N637-V639 PolarHBondContact O-N 3.43Å
638	G	86.9	Confident	91.2	Very high	72 Å²	72	30.8 Å²	30.8	74%	0.742	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	0.4	-175.6	0	0	0	0	0	115.4	E636	E636-G638 PolarHBondContact O-N 2.93Å
639	V	88.8	Confident	91.2	Very high	32 Å²	32	36.4 Å²	36.4	19%	0.194	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.4	180	179.8	0	0	0	0	110.2	Y517 F521 T554 V635 E636 N637 V641	Y517-V639 HydrophobicContact CD1-CG1 4.06Å; Y517-V639 HydrophobicContact CE1-CG1 3.63Å; F521-V639 HydrophobicContact CE1-CB 3.93Å; F521-V639 HydrophobicContact CE1-CG1 4.16Å; F521-V639 HydrophobicContact CE1-CG2 4.38Å; F521-V639 HydrophobicContact CZ-CB 3.75Å; F521-V639 HydrophobicContact CZ-CG1 3.82Å; T554-V639 HydrophobicContact CG2-CG2 4.03Å; V635-V639 WeakPolarHBondContact CA-O 3.11Å; E636-V639 PolarHBondContact N-O 3.3Å; E636-V639 VanDerWaalsContact N-O 3.09Å; E636-V639 PolarHBondContact O-N 2.97Å; N637-V639 VanDerWaalsContact C-N 3.31Å; N637-V639 PolarHBondContact O-N 3.43Å; V639-V641 HydrophobicContact CG1-CG2 4.29Å
640	S	88.6	Confident	91.1	Very high	45 Å²	45	35.5 Å²	35.5	32%	0.315	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	93.8	-171.1	165.7	0	0	0	0	112.3	R593 F633 A634	R593-S640 PolarHBondContact NE-OG 2.9Å; R593-S640 PolarHBondContact NH2-OG 2.94Å; F633-S640 WeakPolarHBondContact CB-OG 3.38Å; F633-S640 WeakPolarHBondContact CD1-OG 3.37Å; F633-S640 WeakPolarHBondContact CG-OG 3.38Å; A634-S640 CarbonylContact O-C 3.38Å; A634-S640 WeakPolarHBondContact O-CA 3.38Å
641	V	88.6	Confident	90.9	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.8	-176.4	-173.7	0	0	0	0	111.4	Y517 F521 F633 A634 V639	Y517-V641 HydrophobicContact CD1-CG2 4.26Å; Y517-V641 HydrophobicContact CD2-CG1 4.27Å; Y517-V641 HydrophobicContact CD2-CG2 3.67Å; Y517-V641 HydrophobicContact CE2-CG2 4.33Å; Y517-V641 HydrophobicContact CG-CG2 3.61Å; F521-V641 HydrophobicContact CE2-CG2 3.67Å; F521-V641 HydrophobicContact CZ-CG2 3.66Å; F633-V641 CarbonylContact C-O 3.58Å; F633-V641 WeakPolarHBondContact CA-O 3.43Å; A634-V641 PolarHBondContact N-O 3.41Å; A634-V641 PolarHBondContact O-N 3.31Å; V639-V641 HydrophobicContact CG1-CG2 4.29Å
642	L	88.9	Confident	90.4	Very high	32 Å²	32	38.7 Å²	38.7	17%	0.168	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.4	178.8	178.6	61.3	0	0	0	111.4	V566 R631 F633	V566-L642 HydrophobicContact CG1-CD2 4.02Å; V566-L642 HydrophobicContact CG1-CG 3.94Å; V566-L642 HydrophobicContact CG2-CB 4.44Å; V566-L642 HydrophobicContact CG2-CD2 3.97Å; V566-L642 HydrophobicContact CG2-CG 3.94Å; R631-L642 HydrophobicContact CB-CD1 3.81Å; R631-L642 VanDerWaalsContact NH2-CD2 3.26Å; F633-L642 HydrophobicContact CD1-CB 3.88Å; F633-L642 HydrophobicContact CD1-CD1 4.28Å; F633-L642 HydrophobicContact CE1-CB 3.83Å; F633-L642 HydrophobicContact CE1-CD1 4.08Å; F633-L642 HydrophobicContact CE1-CG 4.46Å; F633-L642 HydrophobicContact CE2-CD1 4.47Å; F633-L642 HydrophobicContact CZ-CD1 4.18Å
643	V	88.8	Confident	89.7	Confident	37 Å²	37	43.6 Å²	43.6	22%	0.224	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-47.6	-178.7	-167.5	0	0	0	0	112.5	V566 I567 C632 A634	V566-V643 WeakPolarHBondContact CA-O 3.45Å; I567-V643 PolarHBondContact N-O 3.48Å; C632-V643 PolarHBondContact O-N 3.25Å; A634-V643 HydrophobicContact CB-CG2 3.74Å
644	Y	91	Very high	88.2	Confident	9 Å²	9	47.2 Å²	47.2	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.9	-178.4	-67.9	-98.8	0	0	0	112.2	I567 C583 E584 R631 C632 Y646	I567-Y644 HydrophobicContact CB-CD1 3.67Å; I567-Y644 HydrophobicContact CB-CE1 3.82Å; I567-Y644 HydrophobicContact CB-CG 4.37Å; I567-Y644 HydrophobicContact CD1-CE1 3.86Å; I567-Y644 HydrophobicContact CG1-CE1 4.38Å; I567-Y644 HydrophobicContact CG2-CD1 3.84Å; I567-Y644 HydrophobicContact CG2-CE1 3.8Å; C583-Y644 HydrophobicContact CB-CD2 4.18Å; C583-Y644 HydrophobicContact CB-CE2 4.47Å; E584-Y644 WeakPolarHBondContact CB-OH 3.01Å; E584-Y644 PolarHBondContact OE2-OH 3.39Å; R631-Y644 WeakPolarHBondContact CA-O 3.46Å; C632-Y644 PolarHBondContact N-O 3.15Å; C632-Y644 PolarHBondContact O-N 2.88Å; Y644-Y646 AromaticContact CD1-CE2 3.98Å; Y644-Y646 HydrophobicContact CD1-CE2 3.98Å; Y644-Y646 HydrophobicContact CG-CE2 4.06Å
645	L	93.8	Very high	86.4	Confident	30 Å²	30	56 Å²	56	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.3	166.2	-169.2	69.2	0	0	0	110	V566 I567 H568 R569 S629 R631	V566-L645 HydrophobicContact CG1-CB 3.97Å; I567-L645 PolarHBondContact O-N 3.03Å; H568-L645 CarbonylContact C-O 3.57Å; H568-L645 WeakPolarHBondContact CA-O 3.02Å; H568-L645 VanDerWaalsContact CE1-CD2 3.44Å; H568-L645 WeakPolarHBondContact CE1-CD2 3.47Å; R569-L645 PolarHBondContact N-O 3.28Å; S629-L645 WeakPolarHBondContact OG-CD1 3.44Å; R631-L645 HydrophobicContact CB-CD1 4.42Å; R631-L645 HydrophobicContact CG-CD1 3.71Å
646	Y	94.7	Very high	84.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.4	177	-78.3	-88.4	0	0	0	110.9	R569 R571 L581 Q582 W594 S629 Y630 Y644	R569-Y646 HydrophobicContact CB-CD1 3.56Å; R569-Y646 HydrophobicContact CB-CE1 3.48Å; R569-Y646 VanDerWaalsContact CB-CE1 3.48Å; R569-Y646 HydrophobicContact CB-CG 4.32Å; R569-Y646 VanDerWaalsContact CD-OH 3.31Å; R569-Y646 WeakPolarHBondContact CD-OH 3.37Å; R569-Y646 HydrophobicContact CG-CE1 4.1Å; R569-Y646 PolarHBondContact NH1-OH 2.8Å; R569-Y646 CarbonylContact O-C 3.54Å; R569-Y646 VanDerWaalsContact O-CA 3.31Å; R569-Y646 WeakPolarHBondContact O-CA 3.43Å; R571-Y646 HydrophobicContact CG-CD1 4.26Å; R571-Y646 HydrophobicContact CG-CE1 4.5Å; L581-Y646 HydrophobicContact CB-CD1 4.49Å; L581-Y646 HydrophobicContact CB-CD2 4.22Å; L581-Y646 HydrophobicContact CB-CE1 4.42Å; L581-Y646 HydrophobicContact CB-CE2 4.15Å; L581-Y646 HydrophobicContact CB-CG 4.38Å; L581-Y646 HydrophobicContact CD1-CG 4.27Å; L581-Y646 HydrophobicContact CD2-CD1 3.85Å; L581-Y646 HydrophobicContact CD2-CE1 4.17Å; L581-Y646 HydrophobicContact CD2-CG 4.23Å; Q582-Y646 PolarHBondContact N-OH 2.92Å; Q582-Y646 VanDerWaalsContact O-CE2 3.24Å; Q582-Y646 WeakPolarHBondContact O-CE2 3.39Å; Q582-Y646 VanDerWaalsContact O-CZ 3.32Å; Q582-Y646 PolarHBondContact O-OH 3.45Å; W594-Y646 HydrophobicContact CH2-CD2 4.08Å; W594-Y646 HydrophobicContact CH2-CE2 4.04Å; W594-Y646 HydrophobicContact CZ3-CD2 4.13Å; S629-Y646 CarbonylContact C-O 3.59Å; S629-Y646 WeakPolarHBondContact CA-O 3.37Å; Y630-Y646 PolarHBondContact N-O 3.44Å; Y630-Y646 PolarHBondContact O-N 3.26Å; Y644-Y646 AromaticContact CD1-CE2 3.98Å; Y644-Y646 HydrophobicContact CD1-CE2 3.98Å; Y644-Y646 HydrophobicContact CG-CE2 4.06Å
647	T	95.6	Very high	82.5	Confident	65 Å²	65	67.9 Å²	67.9	40%	0.399	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111	164.3	-52.7	0	0	0	0	108.9	R569 R570 R571	R569-T647 PolarHBondContact O-N 2.96Å; R570-T647 WeakPolarHBondContact CA-O 3.47Å; R571-T647 PolarHBondContact N-O 2.84Å
648	V	94.4	Very high	80.5	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.024	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126	179.9	-178	0	0	0	0	109.9	R571 V573 L581 G627 G628 Y630 V650	R571-V648 HydrophobicContact CB-CG2 4.45Å; R571-V648 WeakPolarHBondContact O-CA 3.34Å; V573-V648 HydrophobicContact CG2-CG1 4.21Å; L581-V648 HydrophobicContact CD1-CG2 3.89Å; L581-V648 HydrophobicContact CD2-CG2 3.94Å; G627-V648 WeakPolarHBondContact CA-O 3.46Å; G628-V648 PolarHBondContact N-O 3.19Å; G628-V648 PolarHBondContact O-N 2.99Å; Y630-V648 HydrophobicContact CD2-CB 4.03Å; Y630-V648 HydrophobicContact CD2-CG2 3.54Å; Y630-V648 HydrophobicContact CE2-CB 3.87Å; Y630-V648 HydrophobicContact CE2-CG2 3.74Å; V648-V650 HydrophobicContact CG1-CG2 4.29Å
649	K	93.8	Very high	78.4	Confident	138 Å²	138	75.1 Å²	75.1	60%	0.6	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.4	167.7	-72.7	-170.2	172	-167.5	0	109.5	R571 A572 V573	R571-K649 PolarHBondContact O-N 2.85Å; A572-K649 WeakPolarHBondContact CA-O 3.46Å; V573-K649 PolarHBondContact N-O 3.42Å
650	V	92.1	Very high	76.4	Confident	21 Å²	21	79.5 Å²	79.5	13%	0.127	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.7	173.7	-176.4	0	0	0	0	108.2	V573 A622 V648	V573-V650 CarbonylContact O-C 3.58Å; V573-V650 WeakPolarHBondContact O-CA 3.22Å; A622-V650 HydrophobicContact CB-CG1 4.34Å; A622-V650 HydrophobicContact CB-CG2 4.14Å; V648-V650 HydrophobicContact CG1-CG2 4.29Å
651	H	89.4	Confident	74	Confident	80 Å²	80	84 Å²	84	37%	0.37	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.5	-178.7	-53.1	85.1	0	0	0	109.8	V573 M574 S575	V573-H651 PolarHBondContact O-N 3.04Å; V573-H651 PolarHBondContact O-ND1 2.03Å; M574-H651 CarbonylContact C-O 3.57Å; M574-H651 HydrophobicContact CE-CB 4.35Å; M574-H651 HydrophobicContact SD-CB 4.17Å; S575-H651 WeakPolarHBondContact CB-O 3.36Å; S575-H651 PolarHBondContact N-O 3.32Å
652	T	83.5	Confident	71.7	Confident	83 Å²	83	90.6 Å²	90.6	51%	0.509	48%	0.483	S	S	.	.	S	Bend	trans	-82.6	-28.6	176.1	46.2	0	0	0	0	112.8	T624	T624-T652 HydrophobicContact CG2-CG2 3.61Å
653	D	77.3	Confident	69.2	Low	102 Å²	102	94.3 Å²	94.3	55%	0.545	51%	0.512	S	S	.	.	S	Bend	trans	-109.1	128.4	-164.3	-44.3	-22.6	0	0	0	109.5	M574 Y655	M574-D653 WeakPolarHBondContact CE-O 3.2Å; D653-Y655 VanDerWaalsContact C-N 3.3Å; D653-Y655 PolarHBondContact O-N 2.96Å
654	P	59.5	Low	66.8	Low	105 Å²	105	99 Å²	99	68%	0.682	54%	0.541	S	S	*	.			trans	-72	84.2	-179.3	29.9	-34.7	0	0	0	110.6	F656	P654-F656 PolarHBondContact O-N 3.22Å; P654-F656 VanDerWaalsContact O-N 3.17Å
655	Y	50.7	Low	63.9	Low	197 Å²	197	107.7 Å²	107.7	77%	0.773	58%	0.582	S	S	*	*			trans	-77.2	102.7	-174.8	-139.7	-79.7	0	0	0	110.9	D653	D653-Y655 VanDerWaalsContact C-N 3.3Å; D653-Y655 PolarHBondContact O-N 2.96Å
656	F	49.8	Very low	61.7	Low	173 Å²	173	111.5 Å²	111.5	76%	0.759	61%	0.608	S	S	*	*			trans	-61.4	132.2	166.2	-72.9	-95.2	0	0	0	109.2	P654 V658	P654-F656 PolarHBondContact O-N 3.22Å; P654-F656 VanDerWaalsContact O-N 3.17Å; F656-V658 PolarHBondContact O-N 2.87Å; F656-V658 VanDerWaalsContact O-N 3.15Å
657	P	49.7	Very low	58.7	Low	117 Å²	117	118 Å²	118	76%	0.76	65%	0.648	S	S	*	*			trans	-67	115.4	172.4	27.9	-32.2	0	0	0	108.8	E659	P657-E659 PolarHBondContact O-N 3.18Å
658	V	45.6	Very low	55.5	Low	122 Å²	122	120.2 Å²	120.2	74%	0.739	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-70.5	120.3	170.7	179.9	0	0	0	0	107.5	F656	F656-V658 PolarHBondContact O-N 2.87Å; F656-V658 VanDerWaalsContact O-N 3.15Å
659	E	41.9	Very low	52.6	Low	171 Å²	171	127.5 Å²	127.5	80%	0.799	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-61.8	142.1	173.6	-69.2	-174.2	126.1	0	0	110.3	P657 T661	P657-E659 PolarHBondContact O-N 3.18Å; E659-T661 PolarHBondContact O-N 3.12Å
660	P	48.1	Very low	49.5	Very low	123 Å²	123	126.5 Å²	126.5	80%	0.799	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-66.1	119.6	177.4	27.8	-33.2	0	0	0	109.7	D662	P660-D662 PolarHBondContact O-N 2.67Å
661	T	37.8	Very low	46.6	Very low	141 Å²	141	130.7 Å²	130.7	87%	0.865	74%	0.74	S	S	*	*			trans	-67.1	98.7	177.7	-26.3	0	0	0	0	110	E659	E659-T661 PolarHBondContact O-N 3.12Å
662	D	39.3	Very low	44.9	Very low	152 Å²	152	132 Å²	132	81%	0.813	76%	0.755	S	S	*	*			trans	-73.1	133.8	-178.7	-156.5	2.5	0	0	0	111.1	P660	P660-D662 PolarHBondContact O-N 2.67Å
663	S	36.8	Very low	42.4	Very low	110 Å²	110	133.6 Å²	133.6	77%	0.769	77%	0.765	S	S	*	*			trans	-91.9	111.1	-170	58	0	0	0	0	111.3
664	T	37.9	Very low	40.1	Very low	136 Å²	136	134 Å²	134	83%	0.834	77%	0.77	S	S	*	*			trans	-63.2	130.4	-179.1	50.7	0	0	0	0	114.3
665	E	30.9	Very low	38.8	Very low	192 Å²	192	137.8 Å²	137.8	90%	0.897	78%	0.776	S	S	*	*				-142.3	156.8	129.8	-85.4	-149.4	130.1	0	0	110.6
666	P	47.9	Very low	37.8	Very low	109 Å²	109	132.9 Å²	132.9	71%	0.708	77%	0.771	S	S	*	*			trans	-124.3	149.7	-155.9	38.7	-24.3	0	0	0	116.2
667	T	30.2	Very low	36.8	Very low	136 Å²	136	131 Å²	131	83%	0.834	77%	0.774	S	S	*	*			trans	-154.7	82.8	160.5	-15.1	0	0	0	0	115.1
668	T	30	Very low	35.8	Very low	112 Å²	112	130.1 Å²	130.1	69%	0.687	78%	0.776	S	S	*	*			trans	43	126.9	138.5	56.3	0	0	0	0	124.1
669	I	32.4	Very low	35.2	Very low	158 Å²	158	129.7 Å²	129.7	81%	0.81	78%	0.779	S	S	*	*			trans	70.9	121.4	133.5	-63.8	165.3	0	0	0	116.6
670	S	29.8	Very low	35.4	Very low	116 Å²	116	127.5 Å²	127.5	81%	0.811	78%	0.779	S	S	*	*			cis	-158.3	172.1	49.2	57.3	0	0	0	0	116.3
671	S	31.2	Very low	34.5	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	79%	0.785	S	S	*	*			trans	-158.8	172.4	172.3	68	0	0	0	0	107.9
672	P	52.7	Low	34.2	Very low	106 Å²	106	130.5 Å²	130.5	69%	0.688	78%	0.783	S	S	*	*			cis	-125.9	-165.2	15.4	36.9	-14.8	0	0	0	113.1
673	V	31.3	Very low	33.8	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.715	79%	0.787	S	S	*	*				-169.7	114.6	77.3	162.6	0	0	0	0	107.3
674	V	29.7	Very low	33.8	Very low	110 Å²	110	132.4 Å²	132.4	67%	0.667	79%	0.785	S	S	*	*				53.7	119.3	94.4	-170.2	0	0	0	0	114.4
675	F	31.2	Very low	33.8	Very low	184 Å²	184	133.9 Å²	133.9	81%	0.807	79%	0.787	S	S	*	*				-169.4	145.3	93.8	-108.6	-85.7	0	0	0	113.6
676	S	29.7	Very low	34.1	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	78%	0.782	S	S	*	*			trans	30.7	150.7	143.8	-65.9	0	0	0	0	122.8
677	T	28.4	Very low	33.7	Very low	134 Å²	134	130.7 Å²	130.7	82%	0.822	79%	0.786	S	S	*	*			cis	-168.1	167.7	0.8	17.8	0	0	0	0	106.8
678	A	29.7	Very low	34.3	Very low	98 Å²	98	130 Å²	130	81%	0.81	78%	0.783	S	S	*	*			cis	-148.2	-177.4	17.7	0	0	0	0	0	111.9
679	S	33.3	Very low	34.8	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	79%	0.79	S	S	*	*			trans	-96.5	165.5	-176.7	46.7	0	0	0	0	114.6
680	P	44.4	Very low	35.1	Very low	125 Å²	125	127.5 Å²	127.5	81%	0.812	79%	0.787	S	S	*	*			trans	-93.9	-178.2	-169.8	38.8	-37.7	0	0	0	114.5
681	T	29.5	Very low	35.6	Very low	150 Å²	150	128.2 Å²	128.2	92%	0.92	79%	0.789	S	S	*	*			trans	-117.1	146.3	168.8	-47.3	0	0	0	0	111.2
682	E	31.1	Very low	35.9	Very low	177 Å²	177	131 Å²	131	83%	0.827	79%	0.794	S	S	*	*			trans	-98.7	152.7	-164	162.7	-173.6	-128.6	0	0	113.2
683	Q	32.8	Very low	35.4	Very low	189 Å²	189	131.1 Å²	131.1	88%	0.883	80%	0.795	S	S	*	*			trans	-172.8	164.9	142.6	-103.2	-172.5	4.6	0	0	111.4
684	P	34.9	Very low	35.7	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	80%	0.802	S	S	*	*				-122.6	175.9	-125.3	42.9	-31.5	0	0	0	117.4
685	L	39.2	Very low	36	Very low	168 Å²	168	130.1 Å²	130.1	88%	0.88	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.9	145.1	175.1	-76.9	150.3	0	0	0	113.5
686	P	36.4	Very low	36.1	Very low	123 Å²	123	126.4 Å²	126.4	80%	0.799	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.3	159.9	168.3	34.1	-34.3	0	0	0	113.2
687	S	39.7	Very low	36.3	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-91.3	162.3	-175	42.5	0	0	0	0	114.4
688	P	43.2	Very low	37	Very low	121 Å²	121	132.9 Å²	132.9	79%	0.786	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.9	153.9	-174.3	30.9	-36.7	0	0	0	114.5
689	P	39.3	Very low	37.7	Very low	128 Å²	128	137.2 Å²	137.2	83%	0.831	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.3	161.9	-179.6	33.4	-36.4	0	0	0	114.3
690	A	40.4	Very low	38.5	Very low	89 Å²	89	137.1 Å²	137.1	74%	0.736	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.8	165.2	-176.8	0	0	0	0	0	114.3
691	P	39.9	Very low	38.7	Very low	132 Å²	132	140.5 Å²	140.5	86%	0.857	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-75.3	153.3	-177.5	-11.7	28.3	0	0	0	114
692	L	37.7	Very low	39.6	Very low	167 Å²	167	144 Å²	144	87%	0.874	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-97.1	153.3	176.4	-74.8	167.9	0	0	0	112.7
693	P	40.8	Very low	40.7	Very low	110 Å²	110	142.1 Å²	142.1	71%	0.714	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.6	160.6	-177.8	32.4	-36.6	0	0	0	113.7
694	P	37.8	Very low	41.8	Very low	131 Å²	131	138.6 Å²	138.6	85%	0.851	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72	141.5	-179.6	29.8	-35.5	0	0	0	113.2
695	G	36	Very low	42.8	Very low	75 Å²	75	139 Å²	139	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-79	157.5	178.6	0	0	0	0	0	114.5
696	A	33.8	Very low	43.5	Very low	106 Å²	106	133.6 Å²	133.6	88%	0.876	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-79.1	157.8	179.3	0	0	0	0	0	113.4
697	N	33	Very low	44.9	Very low	163 Å²	163	132.9 Å²	132.9	87%	0.872	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-80.9	158.2	-173.6	-81.2	-48.9	0	0	0	115
698	F	44.2	Very low	46.1	Very low	202 Å²	202	135.1 Å²	135.1	89%	0.886	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-64.3	133.9	-175.4	-74.8	-109.2	0	0	0	114.9
699	Q	44.2	Very low	47.5	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	74%	0.737	S	S	*	*			trans	-157.6	37.4	160.1	-137.7	170.7	13.6	0	0	117.7
700	T	49.7	Very low	48.7	Very low	111 Å²	111	132.5 Å²	132.5	68%	0.681	72%	0.72	S	S	*	*			trans	-118.9	-6.5	-170.2	21.5	0	0	0	0	118.3	R702 H703	T700-R702 PolarHBondContact O-N 3.48Å; T700-H703 PolarHBondContact O-N 2.94Å
701	Y	48.8	Very low	50.4	Low	196 Å²	196	133 Å²	133	77%	0.769	71%	0.71	S	S	*	*	H	α-helix	trans	-64.7	-36.3	-170	-156.3	-101.3	0	0	0	114.8	H703	Y701-H703 VanDerWaalsContact C-N 3.28Å; Y701-H703 PolarHBondContact O-N 2.93Å
702	R	47.8	Very low	52.4	Low	224 Å²	224	131.1 Å²	131.1	85%	0.845	70%	0.696	S	S	*	*	H	α-helix	trans	-71	-11	-175.1	-89.1	-172.4	172.3	-179.6	-1.5	115.9	T700	T700-R702 PolarHBondContact O-N 3.48Å
703	H	55.8	Low	54.4	Low	137 Å²	137	126.3 Å²	126.3	63%	0.634	68%	0.681	S	S	*	*	H	α-helix	trans	-92.2	-23.6	179.7	-75.8	-71.7	0	0	0	113.7	T700 Y701 A706 I707	T700-H703 PolarHBondContact O-N 2.94Å; Y701-H703 VanDerWaalsContact C-N 3.28Å; Y701-H703 PolarHBondContact O-N 2.93Å; H703-A706 PolarHBondContact O-N 3.33Å; H703-I707 WeakPolarHBondContact O-CG1 3.35Å; H703-I707 PolarHBondContact O-N 3.01Å
704	M	55.7	Low	56.4	Low	115 Å²	115	125.6 Å²	125.6	57%	0.567	67%	0.674	S	S	*	*	H	α-helix	trans	-70.2	-38.7	-178.6	-70	-151.7	78.1	0	0	113.2	A706 I707 Y708	M704-A706 VanDerWaalsContact C-N 3.32Å; M704-A706 PolarHBondContact O-N 3.31Å; M704-I707 PolarHBondContact O-N 3.03Å; M704-Y708 PolarHBondContact O-N 3.31Å
705	E	55.9	Low	58.6	Low	122 Å²	122	124.2 Å²	124.2	57%	0.57	66%	0.659	S	S	*	*	H	α-helix	trans	-60.3	-41.2	176.6	-65.3	-177	121.4	0	0	111.9	I707 Y708 I709	E705-I707 PolarHBondContact O-N 2.81Å; E705-Y708 PolarHBondContact O-N 2.98Å; E705-I709 VanDerWaalsContact O-CG1 3.29Å; E705-I709 WeakPolarHBondContact O-CG1 3.26Å; E705-I709 PolarHBondContact O-N 3.35Å
706	A	54.2	Low	60.9	Low	54 Å²	54	122.7 Å²	122.7	45%	0.446	64%	0.643	S	S	.	*	H	α-helix	trans	-65.2	-37.1	177.8	0	0	0	0	0	112.6	H703 M704 S710	H703-A706 PolarHBondContact O-N 3.33Å; M704-A706 VanDerWaalsContact C-N 3.32Å; M704-A706 PolarHBondContact O-N 3.31Å; A706-S710 WeakPolarHBondContact O-CB 3.48Å; A706-S710 PolarHBondContact O-N 2.92Å; A706-S710 VanDerWaalsContact O-N 3.12Å; A706-S710 PolarHBondContact O-OG 3.5Å
707	I	65.9	Low	63.4	Low	107 Å²	107	119.3 Å²	119.3	55%	0.549	62%	0.618	S	S	.	*	H	α-helix	trans	-67.5	-45.3	174.2	-66.9	166.9	0	0	0	110.1	H703 M704 E705 S710 L711	H703-I707 WeakPolarHBondContact O-CG1 3.35Å; H703-I707 PolarHBondContact O-N 3.01Å; M704-I707 PolarHBondContact O-N 3.03Å; E705-I707 PolarHBondContact O-N 2.81Å; I707-S710 PolarHBondContact O-N 3.48Å; I707-L711 WeakPolarHBondContact O-CB 3.48Å; I707-L711 PolarHBondContact O-N 3.21Å
708	Y	64.1	Low	65.9	Low	159 Å²	159	116.6 Å²	116.6	62%	0.624	60%	0.603	S	S	*	*	H	α-helix	trans	-61.4	-46.3	179	-119.4	-92.9	0	0	0	112.6	M704 E705 S710 L711 V712	M704-Y708 PolarHBondContact O-N 3.31Å; E705-Y708 PolarHBondContact O-N 2.98Å; Y708-S710 VanDerWaalsContact C-N 3.31Å; Y708-S710 PolarHBondContact O-N 3.47Å; Y708-L711 PolarHBondContact O-N 2.89Å; Y708-V712 WeakPolarHBondContact O-CG2 3.4Å; Y708-V712 PolarHBondContact O-N 2.96Å
709	I	72.1	Confident	67.6	Low	123 Å²	123	110.7 Å²	110.7	63%	0.631	59%	0.586	S	S	*	*	H	α-helix	trans	-62.1	-40.6	176.8	-67.7	166	0	0	0	110.6	E705 A713	E705-I709 VanDerWaalsContact O-CG1 3.29Å; E705-I709 WeakPolarHBondContact O-CG1 3.26Å; E705-I709 PolarHBondContact O-N 3.35Å; I709-A713 WeakPolarHBondContact O-CB 3.34Å; I709-A713 PolarHBondContact O-N 3.32Å
710	S	64.8	Low	69.6	Low	70 Å²	70	107.2 Å²	107.2	49%	0.49	57%	0.573	S	S	.	*	H	α-helix	trans	-64.8	-42.7	175.9	-58.4	0	0	0	0	112.2	A706 I707 Y708 A713 V714	A706-S710 WeakPolarHBondContact O-CB 3.48Å; A706-S710 PolarHBondContact O-N 2.92Å; A706-S710 VanDerWaalsContact O-N 3.12Å; A706-S710 PolarHBondContact O-OG 3.5Å; I707-S710 PolarHBondContact O-N 3.48Å; Y708-S710 VanDerWaalsContact C-N 3.31Å; Y708-S710 PolarHBondContact O-N 3.47Å; S710-A713 PolarHBondContact O-N 2.74Å; S710-V714 WeakPolarHBondContact O-CG2 3.49Å; S710-V714 PolarHBondContact O-N 2.96Å
711	L	77.5	Confident	71.5	Confident	100 Å²	100	106.3 Å²	106.3	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-62.2	-45.9	178.7	-163.7	95.5	0	0	0	111.4	I707 Y708 A713 V714 L715	I707-L711 WeakPolarHBondContact O-CB 3.48Å; I707-L711 PolarHBondContact O-N 3.21Å; Y708-L711 PolarHBondContact O-N 2.89Å; L711-A713 PolarHBondContact O-N 2.65Å; L711-V714 PolarHBondContact O-N 3.49Å; L711-L715 HydrophobicContact CD2-CD1 4.16Å; L711-L715 HydrophobicContact CG-CD1 4.24Å; L711-L715 WeakPolarHBondContact O-CB 3.43Å; L711-L715 WeakPolarHBondContact O-CG 3.2Å; L711-L715 PolarHBondContact O-N 2.99Å
712	V	80.3	Confident	73.2	Confident	93 Å²	93	102 Å²	102	56%	0.564	56%	0.556	S	S	*	*	H	α-helix	trans	-63.8	-40.2	176.9	173.6	0	0	0	0	111.3	Y708 L715 G716	Y708-V712 WeakPolarHBondContact O-CG2 3.4Å; Y708-V712 PolarHBondContact O-N 2.96Å; V712-L715 PolarHBondContact O-N 2.97Å; V712-G716 PolarHBondContact O-N 3.33Å
713	A	80.3	Confident	75.1	Confident	66 Å²	66	94.5 Å²	94.5	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-41.9	175.5	0	0	0	0	0	112.6	I709 S710 L711 G716 G717	I709-A713 WeakPolarHBondContact O-CB 3.34Å; I709-A713 PolarHBondContact O-N 3.32Å; S710-A713 PolarHBondContact O-N 2.74Å; L711-A713 PolarHBondContact O-N 2.65Å; A713-G716 PolarHBondContact O-N 3.49Å; A713-G717 PolarHBondContact O-N 2.88Å
714	V	83.4	Confident	76.6	Confident	94 Å²	94	92 Å²	92	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-65.7	-43.4	176.6	169.1	0	0	0	0	111.5	S710 L711 G717 L718	S710-V714 WeakPolarHBondContact O-CG2 3.49Å; S710-V714 PolarHBondContact O-N 2.96Å; L711-V714 PolarHBondContact O-N 3.49Å; V714-G717 PolarHBondContact O-N 2.87Å; V714-L718 HydrophobicContact CG1-CD1 4.16Å; V714-L718 WeakPolarHBondContact O-CB 3.28Å; V714-L718 PolarHBondContact O-N 3.1Å
715	L	82.4	Confident	78.1	Confident	103 Å²	103	90.2 Å²	90.2	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-41.2	175.9	-74.3	166.9	0	0	0	112.2	L711 V712 L718 C719	L711-L715 HydrophobicContact CD2-CD1 4.16Å; L711-L715 HydrophobicContact CG-CD1 4.24Å; L711-L715 WeakPolarHBondContact O-CB 3.43Å; L711-L715 WeakPolarHBondContact O-CG 3.2Å; L711-L715 PolarHBondContact O-N 2.99Å; V712-L715 PolarHBondContact O-N 2.97Å; L715-L718 PolarHBondContact O-N 3.35Å; L715-C719 WeakPolarHBondContact O-CB 3.35Å; L715-C719 PolarHBondContact O-N 3.07Å
716	G	85	Confident	79.5	Confident	42 Å²	42	89.4 Å²	89.4	43%	0.433	53%	0.525	S	S	.	.	H	α-helix	trans	-61.6	-44.3	173.1	0	0	0	0	0	112.5	V712 A713 C719 L720	V712-G716 PolarHBondContact O-N 3.33Å; A713-G716 PolarHBondContact O-N 3.49Å; G716-C719 PolarHBondContact O-N 3.29Å; G716-L720 WeakPolarHBondContact O-CB 3.23Å; G716-L720 PolarHBondContact O-N 3.1Å
717	G	86	Confident	80.9	Confident	35 Å²	35	92.7 Å²	92.7	36%	0.361	53%	0.534	S	S	.	.	H	α-helix	trans	-61.3	-45.9	174.9	0	0	0	0	0	112.9	A713 V714 C719 L720 V721	A713-G717 PolarHBondContact O-N 2.88Å; V714-G717 PolarHBondContact O-N 2.87Å; G717-C719 PolarHBondContact O-N 2.83Å; G717-L720 PolarHBondContact O-N 2.84Å; G717-V721 WeakPolarHBondContact O-CG2 3.44Å; G717-V721 PolarHBondContact O-N 2.62Å
718	L	85.4	Confident	81.7	Confident	107 Å²	107	95.4 Å²	95.4	56%	0.56	54%	0.538	S	S	*	.	H	α-helix	trans	-58.8	-45.9	174.8	-87.9	164.3	0	0	0	111.9	V714 L715 L720 V721 L722	V714-L718 HydrophobicContact CG1-CD1 4.16Å; V714-L718 WeakPolarHBondContact O-CB 3.28Å; V714-L718 PolarHBondContact O-N 3.1Å; L715-L718 PolarHBondContact O-N 3.35Å; L718-L720 VanDerWaalsContact C-N 3.31Å; L718-L720 PolarHBondContact O-N 2.91Å; L718-V721 PolarHBondContact O-N 3.36Å; L718-L722 WeakPolarHBondContact O-CB 3.31Å; L718-L722 PolarHBondContact O-N 2.92Å
719	C	81	Confident	82.4	Confident	78 Å²	78	91.4 Å²	91.4	53%	0.527	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-37.7	177.9	-166.6	0	0	0	0	112.3	L715 G716 G717 L722 T723	L715-C719 WeakPolarHBondContact O-CB 3.35Å; L715-C719 PolarHBondContact O-N 3.07Å; G716-C719 PolarHBondContact O-N 3.29Å; G717-C719 PolarHBondContact O-N 2.83Å; C719-L722 PolarHBondContact O-N 2.83Å; C719-T723 WeakPolarHBondContact O-CG2 3.31Å; C719-T723 PolarHBondContact O-N 3.47Å; C719-T723 PolarHBondContact O-OG1 2.89Å
720	L	86.6	Confident	82.5	Confident	116 Å²	116	88 Å²	88	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-68.7	-41.3	176.4	-160.2	155.2	0	0	0	111.8	G716 G717 L718 T723 V724	G716-L720 WeakPolarHBondContact O-CB 3.23Å; G716-L720 PolarHBondContact O-N 3.1Å; G717-L720 PolarHBondContact O-N 2.84Å; L718-L720 VanDerWaalsContact C-N 3.31Å; L718-L720 PolarHBondContact O-N 2.91Å; L720-T723 WeakPolarHBondContact CA-OG1 3.24Å; L720-T723 PolarHBondContact O-OG1 2.81Å; L720-V724 HydrophobicContact CD2-CG2 4.23Å; L720-V724 WeakPolarHBondContact O-CG2 3.37Å; L720-V724 PolarHBondContact O-N 3.13Å
721	V	87.7	Confident	83	Confident	91 Å²	91	91.8 Å²	91.8	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-62.3	-45.5	172.4	172	0	0	0	0	111	G717 L718 T723 V724 V725	G717-V721 WeakPolarHBondContact O-CG2 3.44Å; G717-V721 PolarHBondContact O-N 2.62Å; L718-V721 PolarHBondContact O-N 3.36Å; V721-T723 PolarHBondContact O-N 2.89Å; V721-V724 PolarHBondContact O-N 3.27Å; V721-V725 HydrophobicContact CG1-CG2 4.44Å; V721-V725 WeakPolarHBondContact O-CG2 3.29Å; V721-V725 PolarHBondContact O-N 3.44Å
722	L	84.8	Confident	82.6	Confident	105 Å²	105	89.4 Å²	89.4	55%	0.55	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-39.8	-177.4	-143.3	163.8	0	0	0	111.5	L718 C719 V725 L726	L718-L722 WeakPolarHBondContact O-CB 3.31Å; L718-L722 PolarHBondContact O-N 2.92Å; C719-L722 PolarHBondContact O-N 2.83Å; L722-V725 PolarHBondContact O-N 3.24Å; L722-L726 HydrophobicContact CD2-CD1 3.69Å; L722-L726 HydrophobicContact CD2-CG 4.03Å; L722-L726 WeakPolarHBondContact O-CG 3.33Å; L722-L726 PolarHBondContact O-N 2.93Å
723	T	88.2	Confident	82	Confident	68 Å²	68	88.7 Å²	88.7	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-67.6	-37.5	173.5	46.2	0	0	0	0	113	C719 L720 V721 L726 L727	C719-T723 WeakPolarHBondContact O-CG2 3.31Å; C719-T723 PolarHBondContact O-N 3.47Å; C719-T723 PolarHBondContact O-OG1 2.89Å; L720-T723 WeakPolarHBondContact CA-OG1 3.24Å; L720-T723 PolarHBondContact O-OG1 2.81Å; V721-T723 PolarHBondContact O-N 2.89Å; T723-L726 PolarHBondContact O-N 3.28Å; T723-L727 WeakPolarHBondContact O-CB 3.38Å; T723-L727 VanDerWaalsContact O-CG 3.31Å; T723-L727 WeakPolarHBondContact O-CG 3.42Å; T723-L727 PolarHBondContact O-N 2.87Å
724	V	88.4	Confident	81	Confident	85 Å²	85	94.4 Å²	94.4	52%	0.515	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-41.7	171.6	169.1	0	0	0	0	111.7	L720 V721 L727 Y728	L720-V724 HydrophobicContact CD2-CG2 4.23Å; L720-V724 WeakPolarHBondContact O-CG2 3.37Å; L720-V724 PolarHBondContact O-N 3.13Å; V721-V724 PolarHBondContact O-N 3.27Å; V724-L727 PolarHBondContact O-N 3.12Å; V724-Y728 WeakPolarHBondContact O-CB 3.35Å; V724-Y728 PolarHBondContact O-N 3.28Å
725	V	86.9	Confident	79.4	Confident	77 Å²	77	99.2 Å²	99.2	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-44.3	175.6	170	0	0	0	0	111.4	V721 L722 L727 Y728 V729	V721-V725 HydrophobicContact CG1-CG2 4.44Å; V721-V725 WeakPolarHBondContact O-CG2 3.29Å; V721-V725 PolarHBondContact O-N 3.44Å; L722-V725 PolarHBondContact O-N 3.24Å; V725-L727 PolarHBondContact O-N 3.27Å; V725-Y728 WeakPolarHBondContact O-CB 3.39Å; V725-Y728 PolarHBondContact O-N 2.93Å; V725-V729 WeakPolarHBondContact O-CG2 3.44Å; V725-V729 PolarHBondContact O-N 3.44Å
726	L	83.9	Confident	77.7	Confident	105 Å²	105	101.5 Å²	101.5	55%	0.55	54%	0.536	S	S	.	.	H	α-helix	trans	-63.7	-39.3	176.6	-72.2	168.9	0	0	0	112.3	L722 T723 V729 S730	L722-L726 HydrophobicContact CD2-CD1 3.69Å; L722-L726 HydrophobicContact CD2-CG 4.03Å; L722-L726 WeakPolarHBondContact O-CG 3.33Å; L722-L726 PolarHBondContact O-N 2.93Å; T723-L726 PolarHBondContact O-N 3.28Å; L726-V729 PolarHBondContact O-N 3.05Å; L726-S730 WeakPolarHBondContact O-CB 3.39Å; L726-S730 PolarHBondContact O-N 3.49Å
727	L	84.6	Confident	75.8	Confident	122 Å²	122	103.7 Å²	103.7	64%	0.639	55%	0.545	S	S	*	.	H	α-helix	trans	-64.5	-40.8	173.1	-74	170.1	0	0	0	111.9	T723 V724 V725 S730 F731	T723-L727 WeakPolarHBondContact O-CB 3.38Å; T723-L727 VanDerWaalsContact O-CG 3.31Å; T723-L727 WeakPolarHBondContact O-CG 3.42Å; T723-L727 PolarHBondContact O-N 2.87Å; V724-L727 PolarHBondContact O-N 3.12Å; V725-L727 PolarHBondContact O-N 3.27Å; L727-S730 PolarHBondContact O-N 2.68Å; L727-F731 WeakPolarHBondContact O-CB 3.49Å; L727-F731 PolarHBondContact O-N 2.83Å
728	Y	82.6	Confident	73.9	Confident	164 Å²	164	113.1 Å²	113.1	64%	0.643	57%	0.57	S	S	*	*	H	α-helix	trans	-62.7	-46.7	175.1	-179	-101.4	0	0	0	111.9	V724 V725 S730 F731 C732	V724-Y728 WeakPolarHBondContact O-CB 3.35Å; V724-Y728 PolarHBondContact O-N 3.28Å; V725-Y728 WeakPolarHBondContact O-CB 3.39Å; V725-Y728 PolarHBondContact O-N 2.93Å; Y728-S730 VanDerWaalsContact C-N 3.34Å; Y728-S730 PolarHBondContact O-N 3.09Å; Y728-F731 PolarHBondContact O-N 3.28Å; Y728-F731 VanDerWaalsContact O-N 3.13Å; Y728-C732 PolarHBondContact O-N 2.89Å; Y728-C732 PolarHBondContact O-SG 3.35Å; Y728-C732 VanDerWaalsContact O-SG 3.38Å
729	V	78.9	Confident	72	Confident	75 Å²	75	113 Å²	113	46%	0.455	58%	0.577	S	S	.	*	H	α-helix	trans	-62.4	-39.9	175.7	172.7	0	0	0	0	111.4	V725 L726 F731 C732 T733	V725-V729 WeakPolarHBondContact O-CG2 3.44Å; V725-V729 PolarHBondContact O-N 3.44Å; L726-V729 PolarHBondContact O-N 3.05Å; V729-F731 VanDerWaalsContact C-N 3.31Å; V729-F731 PolarHBondContact O-N 3.35Å; V729-C732 PolarHBondContact O-N 3.35Å; V729-T733 HydrophobicContact CG1-CG2 4.45Å; V729-T733 WeakPolarHBondContact O-CG2 3.47Å; V729-T733 PolarHBondContact O-N 3.35Å; V729-T733 PolarHBondContact O-OG1 2.8Å
730	S	73.9	Confident	70.2	Confident	53 Å²	53	120.3 Å²	120.3	37%	0.371	59%	0.594	S	S	.	*	H	α-helix	trans	-62.8	-36.7	173.6	-165.2	0	0	0	0	112.4	L726 L727 Y728 T733 R734	L726-S730 WeakPolarHBondContact O-CB 3.39Å; L726-S730 PolarHBondContact O-N 3.49Å; L727-S730 PolarHBondContact O-N 2.68Å; Y728-S730 VanDerWaalsContact C-N 3.34Å; Y728-S730 PolarHBondContact O-N 3.09Å; S730-T733 PolarHBondContact O-OG1 3.08Å; S730-R734 WeakPolarHBondContact O-CB 3.36Å; S730-R734 VanDerWaalsContact O-CG 3.25Å; S730-R734 WeakPolarHBondContact O-CG 3.38Å; S730-R734 PolarHBondContact O-N 2.86Å; S730-R734 VanDerWaalsContact O-N 3.13Å
731	F	74.3	Confident	67.9	Low	148 Å²	148	123.8 Å²	123.8	65%	0.649	60%	0.604	S	S	*	*	H	α-helix	trans	-72	-41.4	177	-157	-90.8	0	0	0	112.2	L727 Y728 V729 R734 R735	L727-F731 WeakPolarHBondContact O-CB 3.49Å; L727-F731 PolarHBondContact O-N 2.83Å; Y728-F731 PolarHBondContact O-N 3.28Å; Y728-F731 VanDerWaalsContact O-N 3.13Å; V729-F731 VanDerWaalsContact C-N 3.31Å; V729-F731 PolarHBondContact O-N 3.35Å; F731-R734 PolarHBondContact O-N 2.71Å; F731-R735 PolarHBondContact O-N 3.18Å; F731-R735 VanDerWaalsContact O-N 3.1Å
732	C	69.9	Low	65.3	Low	50 Å²	50	129.7 Å²	129.7	34%	0.338	62%	0.623	S	S	.	*	H	α-helix	trans	-64	-48.6	176.5	-71.5	0	0	0	0	112.3	Y728 V729 R734 R735 E736	Y728-C732 PolarHBondContact O-N 2.89Å; Y728-C732 PolarHBondContact O-SG 3.35Å; Y728-C732 VanDerWaalsContact O-SG 3.38Å; V729-C732 PolarHBondContact O-N 3.35Å; C732-R734 VanDerWaalsContact C-N 3.34Å; C732-R734 PolarHBondContact O-N 2.98Å; C732-R735 WeakPolarHBondContact O-CA 3.47Å; C732-R735 VanDerWaalsContact O-CB 3.28Å; C732-R735 WeakPolarHBondContact O-CB 3.39Å; C732-R735 PolarHBondContact O-N 3.18Å; C732-E736 PolarHBondContact O-N 2.86Å
733	T	66.8	Low	62.8	Low	78 Å²	78	129.8 Å²	129.8	48%	0.479	63%	0.632	S	S	.	*	H	α-helix	trans	-63.6	-36.3	177.2	50	0	0	0	0	112.5	V729 S730 R735 S737	V729-T733 HydrophobicContact CG1-CG2 4.45Å; V729-T733 WeakPolarHBondContact O-CG2 3.47Å; V729-T733 PolarHBondContact O-N 3.35Å; V729-T733 PolarHBondContact O-OG1 2.8Å; S730-T733 PolarHBondContact O-OG1 3.08Å; T733-R735 VanDerWaalsContact C-N 3.26Å; T733-R735 PolarHBondContact O-N 2.87Å; T733-S737 PolarHBondContact O-N 3.33Å
734	R	59.7	Low	60.1	Low	187 Å²	187	135 Å²	135	71%	0.706	65%	0.651	S	S	*	*	H	α-helix	trans	-64.8	-25.6	170	-78.8	178.8	171.2	-159.7	-1.5	113.6	S730 F731 C732	S730-R734 WeakPolarHBondContact O-CB 3.36Å; S730-R734 VanDerWaalsContact O-CG 3.25Å; S730-R734 WeakPolarHBondContact O-CG 3.38Å; S730-R734 PolarHBondContact O-N 2.86Å; S730-R734 VanDerWaalsContact O-N 3.13Å; F731-R734 PolarHBondContact O-N 2.71Å; C732-R734 VanDerWaalsContact C-N 3.34Å; C732-R734 PolarHBondContact O-N 2.98Å
735	R	50.1	Low	57.5	Low	194 Å²	194	139.2 Å²	139.2	73%	0.732	67%	0.666	S	S	*	*	H	α-helix	trans	-75.4	-39.2	179.8	-155	172.6	-172.6	173.4	1.7	112.1	F731 C732 T733	F731-R735 PolarHBondContact O-N 3.18Å; F731-R735 VanDerWaalsContact O-N 3.1Å; C732-R735 WeakPolarHBondContact O-CA 3.47Å; C732-R735 VanDerWaalsContact O-CB 3.28Å; C732-R735 WeakPolarHBondContact O-CB 3.39Å; C732-R735 PolarHBondContact O-N 3.18Å; T733-R735 VanDerWaalsContact C-N 3.26Å; T733-R735 PolarHBondContact O-N 2.87Å
736	E	47.4	Very low	54.8	Low	151 Å²	151	142.8 Å²	142.8	71%	0.706	68%	0.682	S	S	*	*	H	α-helix	trans	-66.6	-39.7	172.6	-66	-169.1	117.8	0	0	112.3	C732 R738 S739	C732-E736 PolarHBondContact O-N 2.86Å; E736-R738 PolarHBondContact O-N 3.33Å; E736-R738 VanDerWaalsContact O-N 3.16Å; E736-S739 WeakPolarHBondContact O-CB 3.4Å; E736-S739 PolarHBondContact O-N 2.94Å
737	S	45.2	Very low	52.1	Low	89 Å²	89	146.2 Å²	146.2	62%	0.622	70%	0.7	S	S	*	*	H	α-helix	trans	-56.5	-32.1	-179.9	-170.6	0	0	0	0	113.7	T733 S739	T733-S737 PolarHBondContact O-N 3.33Å; S737-S739 VanDerWaalsContact C-N 3.27Å; S737-S739 PolarHBondContact O-N 2.61Å
738	R	45.8	Very low	49.4	Very low	233 Å²	233	148.5 Å²	148.5	88%	0.879	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-9.1	176.9	-88	-174.6	167.6	-176.3	-3.7	114.9	E736	E736-R738 PolarHBondContact O-N 3.33Å; E736-R738 VanDerWaalsContact O-N 3.16Å
739	S	44	Very low	46.9	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-4	-175.8	-154.8	0	0	0	0	114.6	E736 S737	E736-S739 WeakPolarHBondContact O-CB 3.4Å; E736-S739 PolarHBondContact O-N 2.94Å; S737-S739 VanDerWaalsContact C-N 3.27Å; S737-S739 PolarHBondContact O-N 2.61Å
740	R	43.8	Very low	44.6	Very low	233 Å²	233	151 Å²	151	88%	0.879	73%	0.732	S	S	*	*	S	Bend	trans	-129.8	41	-171.3	-76.7	-172.9	169.6	174.3	-1.4	115.3
741	K	38.3	Very low	42.4	Very low	189 Å²	189	152.2 Å²	152.2	82%	0.822	75%	0.753	S	S	*	*			trans	-141.2	77.5	170.5	-72.8	-164.3	175.8	-174.5	0	114
742	F	33.2	Very low	40.2	Very low	215 Å²	215	150.4 Å²	150.4	94%	0.943	76%	0.759	S	S	*	*			trans	-153.7	151.3	154.9	-103.2	-77.8	0	0	0	108.6
743	S	32.7	Very low	38.2	Very low	107 Å²	107	152.9 Å²	152.9	75%	0.748	78%	0.776	S	S	*	*			trans	68.4	130.7	179.5	-175.3	0	0	0	0	115.3
744	H	31.4	Very low	36.4	Very low	176 Å²	176	154.8 Å²	154.8	82%	0.815	78%	0.784	S	S	*	*			cis	-151.4	162.1	-8	-135.7	-87.6	0	0	0	112
745	Q	32.9	Very low	35	Very low	175 Å²	175	154.9 Å²	154.9	82%	0.818	78%	0.784	S	S	*	*			trans	-92.2	158.1	162.9	-70.3	172.8	-58.5	0	0	111.4
746	N	30.9	Very low	34	Very low	151 Å²	151	154 Å²	154	81%	0.807	79%	0.786	S	S	*	*			trans	-17.3	138.8	171.3	-53.6	-13.6	0	0	0	118.7
747	L	26.8	Very low	33.1	Very low	177 Å²	177	158.3 Å²	158.3	93%	0.927	80%	0.795	S	S	*	*				-157.8	-174.7	127.9	-135.3	73.9	0	0	0	112.5
748	H	28.9	Very low	32.3	Very low	171 Å²	171	158.6 Å²	158.6	79%	0.792	80%	0.797	S	S	*	*			trans	-116.3	152.9	-157.6	-108.4	-122.5	0	0	0	114.6
749	V	30.3	Very low	31.6	Very low	113 Å²	113	152.7 Å²	152.7	69%	0.685	79%	0.792	S	S	*	*			trans	80.5	131.7	137	164.4	0	0	0	0	122.2
750	L	29.5	Very low	30.8	Very low	177 Å²	177	155.9 Å²	155.9	93%	0.927	80%	0.795	S	S	*	*			trans	56.3	140	157.9	-77.1	164.4	0	0	0	121.3
751	G	27.4	Very low	30	Very low	79 Å²	79	152 Å²	152	81%	0.814	79%	0.791	S	S	*	*			trans	164.7	115.1	165	0	0	0	0	0	114.9
752	S	28.1	Very low	29.4	Very low	111 Å²	111	150 Å²	150	78%	0.776	78%	0.784	S	S	*	*			trans	-89	147.7	-174	-178.1	0	0	0	0	114.9
753	S	28.9	Very low	28.9	Very low	101 Å²	101	147.2 Å²	147.2	71%	0.706	78%	0.779	S	S	*	*			trans	60.5	132.6	140.6	62.7	0	0	0	0	124.5
754	D	29	Very low	28.5	Very low	119 Å²	119	149.9 Å²	149.9	64%	0.636	78%	0.777	S	S	*	*			trans	101.4	112.5	130.5	-118.2	21.4	0	0	0	122.8
755	R	29.6	Very low	28.2	Very low	189 Å²	189	148.3 Å²	148.3	71%	0.713	78%	0.779	S	S	*	*			trans	65.6	120	131.6	-81.8	176.3	-170.9	145.6	-9	124.6
756	K	28.8	Very low	27.7	Very low	175 Å²	175	148.1 Å²	148.1	76%	0.761	78%	0.782	S	S	*	*				101.6	123.1	123.4	-79.3	174.3	177.5	177	0	120.9
757	R	29.2	Very low	27.5	Very low	242 Å²	242	145.3 Å²	145.3	91%	0.913	77%	0.774	S	S	*	*			trans	69.3	152.3	144.8	-76.6	-165.5	159.6	178.7	-6.4	118.2
758	S	28.4	Very low	27.7	Very low	95 Å²	95	142 Å²	142	66%	0.664	77%	0.766	S	S	*	*			cis	-176.3	123.5	-16.2	165	0	0	0	0	113.3
759	S	30.8	Very low	27.9	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	76%	0.764	S	S	*	*			trans	-166.7	117.4	150.9	49.7	0	0	0	0	109.3
760	H	27.9	Very low	27.7	Very low	170 Å²	170	141 Å²	141	79%	0.787	76%	0.764	S	S	*	*				55.2	120.1	88.2	-97.2	-83.7	0	0	0	112.5
761	L	26	Very low	27.7	Very low	151 Å²	151	139.5 Å²	139.5	79%	0.791	76%	0.757	S	S	*	*			cis	-143.3	162.2	28.8	-123.4	95.2	0	0	0	113.4
762	E	26.1	Very low	27.8	Very low	148 Å²	148	138.6 Å²	138.6	69%	0.692	75%	0.748	S	S	*	*			trans	-99.4	149.8	156.4	-70.1	-167.2	136.7	0	0	110.7
763	L	23.6	Very low	27.9	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	75%	0.748	S	S	*	*				-178.9	113.5	120.6	-94.1	140.3	0	0	0	108.6
764	K	23.1	Very low	28	Very low	163 Å²	163	146.7 Å²	146.7	71%	0.709	75%	0.753	S	S	*	*				82.3	117.7	71.9	-126.5	167.8	-165	154.1	0	114.3
765	T	24.9	Very low	28	Very low	142 Å²	142	144.5 Å²	144.5	87%	0.871	76%	0.759	S	S	*	*			trans	-64.1	146	165.3	10.3	0	0	0	0	111.2
766	I	23.9	Very low	28	Very low	171 Å²	171	145.9 Å²	145.9	88%	0.877	76%	0.764	S	S	*	*			trans	-87.6	149.3	-178.9	-70	175.5	0	0	0	111.3
767	S	25.9	Very low	28	Very low	92 Å²	92	147.7 Å²	147.7	64%	0.643	77%	0.766	S	S	*	*			trans	-122.5	154.8	-175.2	60	0	0	0	0	112.8
768	S	31.3	Very low	28	Very low	108 Å²	108	140.5 Å²	140.5	76%	0.755	75%	0.753	S	S	*	*			trans	-167.2	158.2	158.7	53.4	0	0	0	0	110.6
769	H	32.1	Very low	28.1	Very low	163 Å²	163	144.1 Å²	144.1	76%	0.755	76%	0.763	S	S	*	*			cis	-174.1	152.4	-31.6	-92.9	-42.6	0	0	0	106.2
770	C	27.3	Very low	28	Very low	99 Å²	99	144.6 Å²	144.6	67%	0.669	77%	0.766	S	S	*	*			cis	-156.3	-175.2	-11.7	-123.4	0	0	0	0	106.4
771	N	28.9	Very low	28.2	Very low	147 Å²	147	143 Å²	143	79%	0.786	77%	0.768	S	S	*	*			cis	-136.8	-145.9	11.1	-135.3	-41.7	0	0	0	108
772	G	29.1	Very low	29.2	Very low	60 Å²	60	140.9 Å²	140.9	62%	0.619	76%	0.764	S	S	*	*			cis	107.2	122.3	1	0	0	0	0	0	113.2
773	R	30.7	Very low	29.3	Very low	210 Å²	210	138.9 Å²	138.9	79%	0.792	76%	0.762	S	S	*	*			cis	-160.2	153.4	9.3	-99.2	179.4	170.3	179.9	-0.1	112
774	Q	31.7	Very low	29.5	Very low	171 Å²	171	141 Å²	141	80%	0.799	76%	0.764	S	S	*	*			trans	52.5	134.9	141.2	-62.3	165.3	-24	0	0	121
775	G	28.6	Very low	29.8	Very low	74 Å²	74	136.7 Å²	136.7	76%	0.763	77%	0.767	S	S	*	*			cis	152.3	-176.4	-10.1	0	0	0	0	0	115.4
776	R	30.1	Very low	29.9	Very low	218 Å²	218	136.7 Å²	136.7	82%	0.823	76%	0.761	S	S	*	*			trans	75.2	126	169.7	-76.9	-175.9	167.7	178.8	-2.2	120.3
777	R	29.3	Very low	30.2	Very low	212 Å²	212	137.3 Å²	137.3	80%	0.8	76%	0.758	S	S	*	*			trans	68.7	155.6	142.3	-69.3	178.2	176.4	177.8	-4.7	118.7
778	S	28.5	Very low	30.4	Very low	91 Å²	91	140.2 Å²	140.2	64%	0.636	77%	0.766	S	S	*	*			cis	176.7	122.5	-48.2	46	0	0	0	0	109.6
779	I	31	Very low	30.4	Very low	172 Å²	172	142.1 Å²	142.1	88%	0.882	77%	0.768	S	S	*	*			trans	57	106.4	156.3	-51.7	164	0	0	0	117.8
780	S	28.3	Very low	30.3	Very low	118 Å²	118	138.2 Å²	138.2	83%	0.825	76%	0.759	S	S	*	*			trans	-171.5	160.9	131.4	57.5	0	0	0	0	112.5
781	V	31.5	Very low	30.4	Very low	135 Å²	135	142 Å²	142	82%	0.818	77%	0.765	S	S	*	*			trans	-154.8	154.2	-177.4	167	0	0	0	0	105.7
782	P	47.4	Very low	30.4	Very low	108 Å²	108	143 Å²	143	70%	0.701	77%	0.769	S	S	*	*			cis	-112.2	-136.4	-0.9	24	1.3	0	0	0	111.4
783	T	29	Very low	30.3	Very low	106 Å²	106	146.4 Å²	146.4	65%	0.65	77%	0.769	S	S	*	*			cis	-165.4	160.9	10.7	-16.9	0	0	0	0	113.4
784	F	27.8	Very low	30.2	Very low	200 Å²	200	144.2 Å²	144.2	88%	0.877	77%	0.771	S	S	*	*			trans	52.2	118.9	154	-83.4	-63.4	0	0	0	123.5
785	G	27.6	Very low	30.1	Very low	74 Å²	74	142.2 Å²	142.2	76%	0.763	77%	0.765	S	S	*	*			trans	77.6	163.2	136.4	0	0	0	0	0	119.4
786	D	28.7	Very low	30.9	Very low	141 Å²	141	144.5 Å²	144.5	75%	0.754	77%	0.766	S	S	*	*			cis	-164.5	169.9	-25.2	-155.3	-7.9	0	0	0	109.4
787	F	29.3	Very low	30.7	Very low	185 Å²	185	137.7 Å²	137.7	81%	0.811	76%	0.764	S	S	*	*			trans	71.8	153.8	172.8	-72.1	-84.3	0	0	0	121
788	N	30.1	Very low	30.9	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	77%	0.766	S	S	*	*			trans	-78.3	160.5	175.9	-60.3	-44.5	0	0	0	112
789	D	32.5	Very low	30.8	Very low	148 Å²	148	138.6 Å²	138.6	79%	0.791	78%	0.777	S	S	*	*				-155.6	143.4	113.4	-130.3	-26.9	0	0	0	116.8
790	S	29.9	Very low	30.8	Very low	82 Å²	82	138.5 Å²	138.5	57%	0.573	77%	0.773	S	S	*	*			trans	23.1	123.6	146.6	-65.5	0	0	0	0	124.7
791	F	28.8	Very low	30.7	Very low	179 Å²	179	141.7 Å²	141.7	79%	0.785	78%	0.777	S	S	*	*			trans	52.7	130	130.4	-71.2	-84.8	0	0	0	122.9
792	L	28.2	Very low	30.6	Very low	168 Å²	168	140.4 Å²	140.4	88%	0.88	77%	0.774	S	S	*	*				-147.8	144.9	121.7	-116.7	171.7	0	0	0	111
793	Q	28.1	Very low	30.4	Very low	130 Å²	130	141.1 Å²	141.1	61%	0.607	78%	0.779	S	S	*	*			trans	-145	135.2	-172.7	177.2	-172.5	5	0	0	109	I795	Q793-I795 HydrophobicContact CG-CG1 4.35Å
794	I	28.8	Very low	30.5	Very low	164 Å²	164	140.7 Å²	140.7	84%	0.841	79%	0.786	S	S	*	*			trans	-134.8	145.3	168.1	-60	-176.9	0	0	0	107.9
795	I	29.8	Very low	30.7	Very low	130 Å²	130	141.1 Å²	141.1	67%	0.667	79%	0.788	S	S	*	*			trans	-122.7	-166.4	-166	-10.4	179.7	0	0	0	110.4	Q793	Q793-I795 HydrophobicContact CG-CG1 4.35Å
796	P	44.2	Very low	31.4	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	79%	0.792	S	S	*	*			trans	-106.9	-168.2	-143.8	43.9	-30.1	0	0	0	113.7
797	G	25.5	Very low	31.9	Very low	75 Å²	75	143.1 Å²	143.1	77%	0.773	79%	0.792	S	S	*	*			trans	-150.6	123.4	161.5	0	0	0	0	0	111.3
798	D	33.5	Very low	32.7	Very low	159 Å²	159	140 Å²	140	85%	0.85	79%	0.79	S	S	*	*			trans	-86	153.7	164.4	-65.9	-66.4	0	0	0	109.8
799	D	26.4	Very low	33.4	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	79%	0.791	S	S	*	*			trans	-160	169	131.7	-134.1	-32.8	0	0	0	112.8
800	Q	30.8	Very low	33.6	Very low	169 Å²	169	136 Å²	136	79%	0.79	79%	0.789	S	S	*	*			trans	-103	-179.6	-167.2	-63.1	-170.1	-4.5	0	0	115.8
801	M	26.8	Very low	34.2	Very low	185 Å²	185	137.7 Å²	137.7	91%	0.911	80%	0.798	S	S	*	*			trans	98.9	127.4	156.4	-61.3	-172.4	151.2	0	0	119.2
802	S	29.9	Very low	34.8	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	80%	0.801	S	S	*	*			trans	-104.6	158.5	156.3	61.8	0	0	0	0	108.4
803	P	42.5	Very low	35.2	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	80%	0.798	S	S	*	*				-150.9	153.6	90.4	37.8	-19.7	0	0	0	117.5
804	A	31.6	Very low	35.7	Very low	97 Å²	97	134.2 Å²	134.2	80%	0.802	81%	0.805	S	S	*	*			trans	20.6	119.7	151	0	0	0	0	0	122.1
805	K	32.6	Very low	36	Very low	210 Å²	210	133.8 Å²	133.8	91%	0.913	81%	0.805	S	S	*	*			trans	-161.9	132.4	131	-114.7	167.8	-174.9	174	0	112.5
806	T	42.2	Very low	36.5	Very low	138 Å²	138	133 Å²	133	85%	0.847	81%	0.808	S	S	*	*			trans	-113	142.2	177.1	45.3	0	0	0	0	112
807	P	39.3	Very low	36.2	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	81%	0.805	S	S	*	*			trans	-122.3	-172	153.6	44.8	-32.9	0	0	0	109.7
808	P	45.8	Very low	36.6	Very low	119 Å²	119	135.3 Å²	135.3	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix		-101.6	167.4	-116.9	6.9	17.4	0	0	0	114.5
809	P	43.2	Very low	36.6	Very low	127 Å²	127	135.4 Å²	135.4	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.1	150.1	179.4	31.2	-36	0	0	0	113.3
810	A	37.9	Very low	36.8	Very low	91 Å²	91	133 Å²	133	75%	0.752	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-80.1	151.9	169.2	0	0	0	0	0	111.5
811	P	42.3	Very low	36.7	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.6	155	-174.6	30.1	-36.1	0	0	0	113.5
812	P	41.3	Very low	36.7	Very low	129 Å²	129	131.8 Å²	131.8	84%	0.838	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.2	141.6	179.2	30.4	-35.3	0	0	0	112.3
813	L	36.6	Very low	36.6	Very low	159 Å²	159	134 Å²	134	83%	0.832	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-90	149.5	168	-75.8	167.7	0	0	0	110.5
814	P	39.6	Very low	35.8	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-76	149.5	-168.8	30.1	-36.1	0	0	0	113.9
815	N	35	Very low	35.6	Very low	155 Å²	155	138.7 Å²	138.7	83%	0.829	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66.9	138.3	178.8	-66.7	-11.2	0	0	0	112.3
816	P	39.2	Very low	35.4	Very low	112 Å²	112	136.2 Å²	136.2	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.2	157.7	164	31.4	-34.3	0	0	0	111.4
817	P	38.3	Very low	34.6	Very low	114 Å²	114	133.2 Å²	133.2	74%	0.74	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.2	153.2	-177.9	29.8	-35.9	0	0	0	112.8
818	P	34.7	Very low	34.1	Very low	131 Å²	131	136.2 Å²	136.2	85%	0.851	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.7	131.2	-179.2	29.5	-34.5	0	0	0	112.1
819	L	31.5	Very low	33.3	Very low	162 Å²	162	134.1 Å²	134.1	85%	0.848	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-100.1	148.6	163.2	-79.5	165.2	0	0	0	109.5
820	P	31.4	Very low	32.5	Very low	113 Å²	113	133 Å²	133	73%	0.734	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-73.9	154.6	-169.4	30.1	-36.1	0	0	0	113.3	M822	P820-M822 PolarHBondContact O-N 2.86Å
821	N	29	Very low	32.2	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-54.4	132.1	176.1	-64.9	-4.4	0	0	0	111.8
822	M	26.7	Very low	31.6	Very low	168 Å²	168	136 Å²	136	83%	0.828	80%	0.802	S	S	*	*			trans	-129.2	118.2	161.2	-79	-169.8	63.7	0	0	109.2	P820	P820-M822 PolarHBondContact O-N 2.86Å
823	D	27.2	Very low	31.1	Very low	156 Å²	156	135 Å²	135	83%	0.834	80%	0.795	S	S	*	*			trans	-71.2	128.1	173.7	-64.1	-62.2	0	0	0	110.7	A825	D823-A825 PolarHBondContact O-N 2.81Å; D823-A825 VanDerWaalsContact O-N 3.1Å
824	Y	26	Very low	31	Very low	219 Å²	219	130.1 Å²	130.1	86%	0.859	77%	0.774	S	S	*	*			trans	-76.8	95	174.4	-90.7	-91.7	0	0	0	111.2	N826	Y824-N826 PolarHBondContact O-N 3.33Å
825	A	27	Very low	30.9	Very low	98 Å²	98	128.9 Å²	128.9	81%	0.81	76%	0.764	S	S	*	*			trans	-86.9	89.8	168.2	0	0	0	0	0	111.1	D823 G827	D823-A825 PolarHBondContact O-N 2.81Å; D823-A825 VanDerWaalsContact O-N 3.1Å; A825-G827 PolarHBondContact O-N 3.06Å
826	N	28.6	Very low	30.9	Very low	158 Å²	158	123.4 Å²	123.4	85%	0.845	74%	0.735	S	S	*	*			trans	-62.7	123.7	166.8	-79.8	-19.3	0	0	0	109.8	Y824	Y824-N826 PolarHBondContact O-N 3.33Å
827	G	26.6	Very low	30.7	Very low	75 Å²	75	128.4 Å²	128.4	77%	0.773	74%	0.739	S	S	*	*			trans	-155.3	119.7	-173.5	0	0	0	0	0	114.5	A825	A825-G827 PolarHBondContact O-N 3.06Å
828	L	27.7	Very low	30.5	Very low	182 Å²	182	129.6 Å²	129.6	95%	0.953	73%	0.732	S	S	*	*			trans	-69	137.4	165	-66.4	149.6	0	0	0	110.3
829	S	28.8	Very low	30.2	Very low	74 Å²	74	130.1 Å²	130.1	52%	0.517	73%	0.725	S	S	.	*				161	131.6	121.4	-173.8	0	0	0	0	113.7	L832	S829-L832 WeakPolarHBondContact OG-CG 3.26Å
830	A	27	Very low	30	Very low	103 Å²	103	130.4 Å²	130.4	85%	0.851	73%	0.728	S	S	*	*	S	Bend	trans	-149.7	125.4	135.5	0	0	0	0	0	106.5
831	T	30.8	Very low	30.3	Very low	139 Å²	139	127.4 Å²	127.4	85%	0.853	72%	0.717	S	S	*	*	S	Bend	cis	-109.5	133.4	14.5	50.7	0	0	0	0	114.1
832	L	29.6	Very low	30.3	Very low	134 Å²	134	127.5 Å²	127.5	70%	0.702	72%	0.718	S	S	*	*			trans	-134	141.3	158.6	-79.9	172.2	0	0	0	109.3	S829	S829-L832 WeakPolarHBondContact OG-CG 3.26Å
833	P	32.2	Very low	30.3	Very low	107 Å²	107	123.4 Å²	123.4	70%	0.695	71%	0.706	S	S	*	*			trans	-66.4	156.5	167.3	30.5	-34.5	0	0	0	110.3	V835	P833-V835 WeakPolarHBondContact O-CG2 3.47Å; P833-V835 PolarHBondContact O-N 2.84Å; P833-V835 VanDerWaalsContact O-N 3.1Å
834	S	34.5	Very low	30.7	Very low	57 Å²	57	120.2 Å²	120.2	40%	0.399	68%	0.682	S	S	.	*			trans	-68.5	109.6	-174.8	29.3	0	0	0	0	112.6	R611 Q849	R611-S834 PolarHBondContact NH2-O 3.05Å; R611-S834 PolarHBondContact NH2-OG 2.89Å; S834-Q849 PolarHBondContact OG-OE1 3.48Å
835	V	37.7	Very low	30.8	Very low	89 Å²	89	114.3 Å²	114.3	54%	0.539	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-98.8	141.3	-179.7	-167.4	0	0	0	0	111	P833	P833-V835 WeakPolarHBondContact O-CG2 3.47Å; P833-V835 PolarHBondContact O-N 2.84Å; P833-V835 VanDerWaalsContact O-N 3.1Å
836	L	35.2	Very low	31	Very low	41 Å²	41	113 Å²	113	22%	0.215	65%	0.648	C	S	.	*	P	Polyproline II helix	trans	-76.3	117.1	167.5	-75.2	159.1	0	0	0	109.2	L618	L618-L836 HydrophobicContact CB-CD1 4.21Å; L618-L836 HydrophobicContact CD2-CD1 4.04Å
837	R	34.9	Very low	31	Very low	216 Å²	216	112.7 Å²	112.7	82%	0.815	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-95	138.6	170.8	-86.9	-172.2	171.7	-175.5	-1.3	111.6
838	K	32.7	Very low	31.1	Very low	139 Å²	139	119.9 Å²	119.9	60%	0.604	65%	0.65	S	S	*	*	B	Isolated β-bridge	trans	-80.6	134.5	168	179.3	177.3	176	-176.8	0	109.8	Y844	K838-Y844 HydrophobicContact CB-CD1 4.39Å; K838-Y844 HydrophobicContact CB-CE1 3.8Å; K838-Y844 HydrophobicContact CG-CE1 4.22Å
839	M	28.4	Very low	31.3	Very low	142 Å²	142	118.7 Å²	118.7	70%	0.7	64%	0.639	S	S	*	*			trans	-108.4	169.7	159.4	-68.6	-174.8	70.4	0	0	109.3	G841	M839-G841 PolarHBondContact O-N 2.91Å
840	N	28.7	Very low	31.3	Very low	168 Å²	168	119.5 Å²	119.5	90%	0.898	65%	0.651	S	S	*	*	S	Bend	trans	-60.4	133.7	-173.4	-75.1	-21.8	0	0	0	112.1
841	G	36.3	Very low	31.4	Very low	50 Å²	50	121.7 Å²	121.7	52%	0.515	65%	0.648	S	S	.	*	S	Bend	trans	101.9	-161.2	-171.3	0	0	0	0	0	113.1	M839 S843	M839-G841 PolarHBondContact O-N 2.91Å; G841-S843 VanDerWaalsContact C-N 3.34Å
842	N	30	Very low	31.5	Very low	162 Å²	162	121 Å²	121	87%	0.866	65%	0.646	S	S	*	*	S	Bend	trans	-92.7	11	178.2	-75.2	-20.5	0	0	0	113.1
843	S	25.7	Very low	31.7	Very low	82 Å²	82	123.7 Å²	123.7	57%	0.573	66%	0.655	S	S	*	*			trans	-96.5	137.2	-170.6	-55.9	0	0	0	0	112.8	G841	G841-S843 VanDerWaalsContact C-N 3.34Å
844	Y	37	Very low	31.9	Very low	89 Å²	89	122.4 Å²	122.4	35%	0.349	66%	0.661	S	S	.	*	B	Isolated β-bridge	trans	-128.2	147.8	174	-62.3	-94.4	0	0	0	109	L580 K838	L580-Y844 HydrophobicContact CD2-CE1 3.96Å; L580-Y844 HydrophobicContact CD2-CE2 4.4Å; K838-Y844 HydrophobicContact CB-CD1 4.39Å; K838-Y844 HydrophobicContact CB-CE1 3.8Å; K838-Y844 HydrophobicContact CG-CE1 4.22Å
845	V	27.4	Very low	31.6	Very low	96 Å²	96	128 Å²	128	58%	0.582	68%	0.682	S	S	*	*			trans	-114.5	121.1	175.9	178	0	0	0	0	109.3	L847	V845-L847 HydrophobicContact CG1-CD2 4.19Å; V845-L847 HydrophobicContact CG1-CG 4.46Å; V845-L847 PolarHBondContact O-N 2.92Å
846	L	31.5	Very low	31.4	Very low	69 Å²	69	128.3 Å²	128.3	36%	0.361	69%	0.689	S	S	.	*			trans	-84.1	89.6	174.4	-167.9	132.1	0	0	0	109.5	L618 R848	L618-L846 HydrophobicContact CD2-CD1 3.75Å; L846-R848 HydrophobicContact CD2-CG 4.17Å; L846-R848 PolarHBondContact O-N 2.95Å
847	L	29.1	Very low	31.6	Very low	153 Å²	153	132.3 Å²	132.3	80%	0.801	72%	0.717	S	S	*	*			trans	-64.1	104.2	172.8	-67.9	174.9	0	0	0	109.6	V845 Q849	V845-L847 HydrophobicContact CG1-CD2 4.19Å; V845-L847 HydrophobicContact CG1-CG 4.46Å; V845-L847 PolarHBondContact O-N 2.92Å; L847-Q849 PolarHBondContact O-N 2.75Å
848	R	28.8	Very low	31.6	Very low	226 Å²	226	128.7 Å²	128.7	85%	0.853	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-67.7	126.7	166	-69.6	-176.5	179	173.6	0.5	108.4	L846	L846-R848 HydrophobicContact CD2-CG 4.17Å; L846-R848 PolarHBondContact O-N 2.95Å
849	Q	31.2	Very low	31.7	Very low	156 Å²	156	132.5 Å²	132.5	73%	0.729	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-65.4	132.4	155.8	-72.5	174.7	-107.5	0	0	107.7	S834 L847	S834-Q849 PolarHBondContact OG-OE1 3.48Å; L847-Q849 PolarHBondContact O-N 2.75Å
850	A	29	Very low	32.5	Very low	92 Å²	92	130.3 Å²	130.3	76%	0.76	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-73.5	144.3	151.8	0	0	0	0	0	107.7
851	D	28.9	Very low	33.3	Very low	149 Å²	149	125.2 Å²	125.2	80%	0.797	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-66.4	152	174.9	-77.4	-55.4	0	0	0	111.2	E853	D851-E853 VanDerWaalsContact C-N 3.26Å; D851-E853 PolarHBondContact O-N 3.4Å
852	P	33.4	Very low	33.5	Very low	125 Å²	125	130.9 Å²	130.9	81%	0.812	70%	0.702	S	S	*	*	S	Bend	trans	-83.1	44.9	-158.4	34.6	-38.9	0	0	0	115.3
853	E	32.6	Very low	34.3	Very low	190 Å²	190	127.5 Å²	127.5	89%	0.888	69%	0.687	S	S	*	*			trans	-106.3	77.6	170.9	-67.2	-161.4	167.1	0	0	110.8	D851	D851-E853 VanDerWaalsContact C-N 3.26Å; D851-E853 PolarHBondContact O-N 3.4Å
854	G	36.6	Very low	35.6	Very low	79 Å²	79	128.3 Å²	128.3	81%	0.814	68%	0.682	S	S	*	*			trans	-173.7	16.5	-175.9	0	0	0	0	0	117.4
855	M	29.3	Very low	36.3	Very low	174 Å²	174	126.9 Å²	126.9	86%	0.857	68%	0.678	S	S	*	*			trans	-103.2	133.1	173.3	-79	-165.1	171.6	0	0	112.3
856	S	33.1	Very low	37.3	Very low	97 Å²	97	126 Å²	126	68%	0.678	67%	0.67	S	S	*	*			trans	-71.1	142.2	178.2	-171.7	0	0	0	0	111.5	L858	S856-L858 VanDerWaalsContact C-N 3.28Å; S856-L858 PolarHBondContact O-N 3.3Å
857	P	38.2	Very low	38.2	Very low	124 Å²	124	127.2 Å²	127.2	81%	0.805	68%	0.677	S	S	*	*	S	Bend	trans	-81.7	62.4	-171.4	34.9	-38.3	0	0	0	113.5
858	L	35.7	Very low	39.8	Very low	141 Å²	141	126.6 Å²	126.6	74%	0.738	66%	0.664	S	S	*	*			trans	-135.5	74.3	171.8	-73.2	177.6	0	0	0	110.8	S856	S856-L858 VanDerWaalsContact C-N 3.28Å; S856-L858 PolarHBondContact O-N 3.3Å
859	Y	35.1	Very low	41.1	Very low	219 Å²	219	119 Å²	119	86%	0.859	64%	0.64	S	S	*	*			trans	-97.3	97	174.6	-131.3	-82	0	0	0	110
860	H	44.9	Very low	42.2	Very low	95 Å²	95	116.2 Å²	116.2	44%	0.44	63%	0.629	S	S	.	*			trans	-77	151.3	167.9	-78.7	-65.2	0	0	0	110.6	E864	H860-E864 HydrophobicContact CB-CB 4.47Å; H860-E864 IonicContact CE1-OE2 2.74Å; H860-E864 IonicContact CG-OE2 3.27Å; H860-E864 IonicContact ND1-OE1 3.87Å; H860-E864 IonicContact ND1-OE2 2.65Å; H860-E864 PolarHBondContact ND1-OE2 3.17Å
861	S	46.4	Very low	43.7	Very low	62 Å²	62	116.6 Å²	116.6	43%	0.434	62%	0.615	S	S	.	*			trans	-72.4	152.5	176	74.3	0	0	0	0	111	T863 E864 E865	S861-T863 PolarHBondContact O-N 2.9Å; S861-T863 VanDerWaalsContact O-N 3.15Å; S861-E864 PolarHBondContact N-OE2 3.19Å; S861-E864 WeakPolarHBondContact O-CA 3.42Å; S861-E864 WeakPolarHBondContact O-CB 3.49Å; S861-E864 PolarHBondContact O-N 2.92Å; S861-E864 WeakPolarHBondContact OG-CB 3.25Å; S861-E864 PolarHBondContact OG-N 3.23Å; S861-E865 PolarHBondContact O-N 3.47Å
862	F	39.2	Very low	44.7	Very low	169 Å²	169	115.5 Å²	115.5	74%	0.741	61%	0.605	S	S	*	*	H	α-helix	trans	-53.4	-37.8	178.1	177	-98.6	0	0	0	112.7	E864 L866	F862-E864 VanDerWaalsContact C-N 3.32Å; F862-E864 PolarHBondContact O-N 3.46Å; F862-L866 HydrophobicContact CE1-CD2 4.47Å; F862-L866 WeakPolarHBondContact O-CB 3.43Å; F862-L866 PolarHBondContact O-N 3.28Å
863	T	47.2	Very low	45.4	Very low	90 Å²	90	118.4 Å²	118.4	55%	0.552	60%	0.6	S	S	*	*	H	α-helix	trans	-65.4	-33.7	175.7	-48.4	0	0	0	0	112.9	S861 N867	S861-T863 PolarHBondContact O-N 2.9Å; S861-T863 VanDerWaalsContact O-N 3.15Å; T863-N867 WeakPolarHBondContact O-CB 3.43Å; T863-N867 VanDerWaalsContact O-CG 3.24Å; T863-N867 PolarHBondContact O-N 2.89Å; T863-N867 PolarHBondContact O-ND2 3.34Å
864	E	53.4	Low	46.1	Very low	99 Å²	99	115.6 Å²	115.6	46%	0.463	59%	0.585	S	S	.	*	H	α-helix	trans	-78.9	-41.8	-177.7	-165.2	170.1	-139	0	0	111	H860 S861 F862 N867 R868	H860-E864 HydrophobicContact CB-CB 4.47Å; H860-E864 IonicContact CE1-OE2 2.74Å; H860-E864 IonicContact CG-OE2 3.27Å; H860-E864 IonicContact ND1-OE1 3.87Å; H860-E864 IonicContact ND1-OE2 2.65Å; H860-E864 PolarHBondContact ND1-OE2 3.17Å; S861-E864 PolarHBondContact N-OE2 3.19Å; S861-E864 WeakPolarHBondContact O-CA 3.42Å; S861-E864 WeakPolarHBondContact O-CB 3.49Å; S861-E864 PolarHBondContact O-N 2.92Å; S861-E864 WeakPolarHBondContact OG-CB 3.25Å; S861-E864 PolarHBondContact OG-N 3.23Å; F862-E864 VanDerWaalsContact C-N 3.32Å; F862-E864 PolarHBondContact O-N 3.46Å; E864-N867 PolarHBondContact O-N 3.02Å; E864-R868 PolarHBondContact O-N 2.82Å
865	E	50.7	Low	46.6	Very low	60 Å²	60	118.8 Å²	118.8	28%	0.28	58%	0.578	S	S	.	*	H	α-helix	trans	-65.2	-41.3	172	-166.5	58.1	-124.2	0	0	111.5	S861 N867 R868 I869	S861-E865 PolarHBondContact O-N 3.47Å; E865-N867 PolarHBondContact O-N 2.81Å; E865-R868 VanDerWaalsContact CD-NH2 3.35Å; E865-R868 WeakPolarHBondContact O-CB 3.3Å; E865-R868 PolarHBondContact O-N 3.1Å; E865-R868 IonicContact OE1-CZ 3.27Å; E865-R868 IonicContact OE1-NE 2.73Å; E865-R868 PolarHBondContact OE1-NE 2.97Å; E865-R868 IonicContact OE1-NH2 2.99Å; E865-R868 PolarHBondContact OE1-NH2 2.88Å; E865-R868 IonicContact OE2-CZ 3.15Å; E865-R868 IonicContact OE2-NE 2.83Å; E865-R868 IonicContact OE2-NH2 2.68Å; E865-R868 PolarHBondContact OE2-NH2 3.22Å; E865-I869 HydrophobicContact CG-CD1 4.32Å; E865-I869 WeakPolarHBondContact O-CG1 3.42Å; E865-I869 PolarHBondContact O-N 3.45Å
866	L	48.2	Very low	47.5	Very low	78 Å²	78	115.1 Å²	115.1	41%	0.408	57%	0.565	S	S	.	*	H	α-helix	trans	-61	-44.3	173.3	-177.7	64.2	0	0	0	111.8	F862 R868 I869 L870	F862-L866 HydrophobicContact CE1-CD2 4.47Å; F862-L866 WeakPolarHBondContact O-CB 3.43Å; F862-L866 PolarHBondContact O-N 3.28Å; L866-R868 VanDerWaalsContact C-N 3.33Å; L866-R868 PolarHBondContact O-N 2.97Å; L866-I869 PolarHBondContact O-N 2.86Å; L866-L870 HydrophobicContact CD1-CD1 4.4Å; L866-L870 HydrophobicContact CG-CD1 4.07Å; L866-L870 WeakPolarHBondContact O-CB 3.39Å; L866-L870 VanDerWaalsContact O-CG 3.26Å; L866-L870 WeakPolarHBondContact O-CG 3.21Å; L866-L870 PolarHBondContact O-N 3.49Å
867	N	51.3	Low	47.9	Very low	94 Å²	94	119.8 Å²	119.8	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-63.6	-37.4	175	-79.3	-22.4	0	0	0	112.2	T863 E864 E865 L870 E871	T863-N867 WeakPolarHBondContact O-CB 3.43Å; T863-N867 VanDerWaalsContact O-CG 3.24Å; T863-N867 PolarHBondContact O-N 2.89Å; T863-N867 PolarHBondContact O-ND2 3.34Å; E864-N867 PolarHBondContact O-N 3.02Å; E865-N867 PolarHBondContact O-N 2.81Å; N867-L870 PolarHBondContact O-N 2.99Å; N867-E871 PolarHBondContact O-N 3.2Å
868	R	62	Low	48.1	Very low	140 Å²	140	122.1 Å²	122.1	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-61.4	-45.7	175.1	-169.8	172.5	77.9	145.2	0.4	111.6	E864 E865 L866 L870 Q872	E864-R868 PolarHBondContact O-N 2.82Å; E865-R868 VanDerWaalsContact CD-NH2 3.35Å; E865-R868 WeakPolarHBondContact O-CB 3.3Å; E865-R868 PolarHBondContact O-N 3.1Å; E865-R868 IonicContact OE1-CZ 3.27Å; E865-R868 IonicContact OE1-NE 2.73Å; E865-R868 PolarHBondContact OE1-NE 2.97Å; E865-R868 IonicContact OE1-NH2 2.99Å; E865-R868 PolarHBondContact OE1-NH2 2.88Å; E865-R868 IonicContact OE2-CZ 3.15Å; E865-R868 IonicContact OE2-NE 2.83Å; E865-R868 IonicContact OE2-NH2 2.68Å; E865-R868 PolarHBondContact OE2-NH2 3.22Å; L866-R868 VanDerWaalsContact C-N 3.33Å; L866-R868 PolarHBondContact O-N 2.97Å; R868-L870 VanDerWaalsContact C-N 3.35Å; R868-Q872 WeakPolarHBondContact O-CG 3.43Å; R868-Q872 PolarHBondContact O-N 3.37Å; R868-Q872 VanDerWaalsContact O-N 3.08Å
869	I	57.6	Low	48.4	Very low	67 Å²	67	122.1 Å²	122.1	34%	0.344	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-38.4	176.7	-67.5	163.5	0	0	0	111.3	E865 L866 Q872 R873	E865-I869 HydrophobicContact CG-CD1 4.32Å; E865-I869 WeakPolarHBondContact O-CG1 3.42Å; E865-I869 PolarHBondContact O-N 3.45Å; L866-I869 PolarHBondContact O-N 2.86Å; I869-Q872 PolarHBondContact O-N 3.4Å; I869-R873 WeakPolarHBondContact O-CG 3.26Å; I869-R873 PolarHBondContact O-N 3.23Å
870	L	53.4	Low	48.7	Very low	97 Å²	97	119.5 Å²	119.5	51%	0.508	58%	0.58	S	S	.	*	H	α-helix	trans	-69.8	-43.1	178.7	-71.6	169.2	0	0	0	113	L866 N867 R868 Q872 R873 K874	L866-L870 HydrophobicContact CD1-CD1 4.4Å; L866-L870 HydrophobicContact CG-CD1 4.07Å; L866-L870 WeakPolarHBondContact O-CB 3.39Å; L866-L870 VanDerWaalsContact O-CG 3.26Å; L866-L870 WeakPolarHBondContact O-CG 3.21Å; L866-L870 PolarHBondContact O-N 3.49Å; N867-L870 PolarHBondContact O-N 2.99Å; R868-L870 VanDerWaalsContact C-N 3.35Å; L870-Q872 VanDerWaalsContact C-N 3.33Å; L870-Q872 PolarHBondContact O-N 3.32Å; L870-R873 PolarHBondContact O-N 2.9Å; L870-K874 WeakPolarHBondContact O-CB 3.34Å; L870-K874 PolarHBondContact O-N 3.16Å
871	E	59.8	Low	48.5	Very low	99 Å²	99	122.7 Å²	122.7	46%	0.463	59%	0.594	S	S	.	*	H	α-helix	trans	-68.4	-29.3	174.3	-79.6	-68.1	141.5	0	0	112.7	N867 K874 H875	N867-E871 PolarHBondContact O-N 3.2Å; E871-K874 WeakPolarHBondContact O-CB 3.28Å; E871-K874 WeakPolarHBondContact OE1-CD 3.42Å; E871-K874 IonicContact OE1-NZ 3.52Å; E871-K874 PolarHBondContact OE1-NZ 2.91Å; E871-K874 VanDerWaalsContact OE2-CD 3.22Å; E871-K874 WeakPolarHBondContact OE2-CD 3.29Å; E871-K874 IonicContact OE2-NZ 3.27Å; E871-K874 PolarHBondContact OE2-NZ 3.14Å; E871-H875 PolarHBondContact O-ND1 2.81Å; E871-H875 IonicContact OE2-CE1 3.59Å
872	Q	49.8	Very low	48.1	Very low	126 Å²	126	125 Å²	125	59%	0.589	61%	0.608	S	S	*	*	H	α-helix	trans	-65.1	-48.2	169.7	-77.6	179.9	-20.4	0	0	111.6	R868 I869 L870 K874 H875	R868-Q872 WeakPolarHBondContact O-CG 3.43Å; R868-Q872 PolarHBondContact O-N 3.37Å; R868-Q872 VanDerWaalsContact O-N 3.08Å; I869-Q872 PolarHBondContact O-N 3.4Å; L870-Q872 VanDerWaalsContact C-N 3.33Å; L870-Q872 PolarHBondContact O-N 3.32Å; Q872-K874 PolarHBondContact O-N 3.42Å; Q872-H875 PolarHBondContact O-N 3.25Å
873	R	48.6	Very low	48	Very low	187 Å²	187	123.1 Å²	123.1	71%	0.706	61%	0.606	S	S	*	*	H	α-helix	trans	-67.4	-19.9	179.2	-73.7	-176.2	175.3	-159.2	-2.8	114.5	I869 L870 H875 T876	I869-R873 WeakPolarHBondContact O-CG 3.26Å; I869-R873 PolarHBondContact O-N 3.23Å; L870-R873 PolarHBondContact O-N 2.9Å; R873-H875 PolarHBondContact O-N 3.43Å; R873-T876 PolarHBondContact O-OG1 2.82Å
874	K	48	Very low	47.5	Very low	131 Å²	131	127.4 Å²	127.4	57%	0.57	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-19.5	177	-176.3	-174.6	172.8	-169.7	0	114.1	L870 E871 Q872	L870-K874 WeakPolarHBondContact O-CB 3.34Å; L870-K874 PolarHBondContact O-N 3.16Å; E871-K874 WeakPolarHBondContact O-CB 3.28Å; E871-K874 WeakPolarHBondContact OE1-CD 3.42Å; E871-K874 IonicContact OE1-NZ 3.52Å; E871-K874 PolarHBondContact OE1-NZ 2.91Å; E871-K874 VanDerWaalsContact OE2-CD 3.22Å; E871-K874 WeakPolarHBondContact OE2-CD 3.29Å; E871-K874 IonicContact OE2-NZ 3.27Å; E871-K874 PolarHBondContact OE2-NZ 3.14Å; Q872-K874 PolarHBondContact O-N 3.42Å
875	H	47.2	Very low	46.5	Very low	145 Å²	145	128.1 Å²	128.1	67%	0.671	64%	0.636	S	S	*	*	S	Bend	trans	-111.4	-6.5	-174.7	-62.3	93.3	0	0	0	114	E871 Q872 R873	E871-H875 PolarHBondContact O-ND1 2.81Å; E871-H875 IonicContact OE2-CE1 3.59Å; Q872-H875 PolarHBondContact O-N 3.25Å; R873-H875 PolarHBondContact O-N 3.43Å
876	T	46.8	Very low	45.6	Very low	97 Å²	97	129.3 Å²	129.3	60%	0.595	65%	0.65	S	S	*	*	S	Bend	trans	-82.3	129.8	169.9	39.8	0	0	0	0	110.9	R873	R873-T876 PolarHBondContact O-OG1 2.82Å
877	Q	42.5	Very low	44.8	Very low	196 Å²	196	136 Å²	136	92%	0.916	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-62.8	143.2	168.6	-77.1	-178.4	-36.8	0	0	110.3	D879	Q877-D879 PolarHBondContact O-N 3.17Å
878	L	42.7	Very low	44.4	Very low	172 Å²	172	138.2 Å²	138.2	90%	0.901	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-69.6	117.8	176	-74	162.7	0	0	0	109.5
879	D	41.6	Very low	43.5	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-71.8	148	168	-150	-33.9	0	0	0	110.2	Q877	Q877-D879 PolarHBondContact O-N 3.17Å
880	M	42.3	Very low	42.7	Very low	163 Å²	163	142 Å²	142	80%	0.803	72%	0.722	S	S	*	*	S	Bend	trans	-82.3	-15.3	-169.7	-76.4	-89.1	-71.8	0	0	113.5
881	H	40.7	Very low	42.1	Very low	162 Å²	162	144.6 Å²	144.6	75%	0.75	74%	0.735	S	S	*	*	S	Bend	trans	-136.3	104.1	179.5	-66.8	82.2	0	0	0	110
882	P	37.7	Very low	41	Very low	112 Å²	112	147.5 Å²	147.5	73%	0.727	75%	0.752	S	S	*	*			trans	-78.9	129.3	175.9	30.8	-32.5	0	0	0	111.3
883	D	36.1	Very low	40.4	Very low	128 Å²	128	148.9 Å²	148.9	68%	0.684	76%	0.763	S	S	*	*			trans	-70.5	148.5	172.4	-110.6	-33.3	0	0	0	111.8	S885 S886	D883-S885 PolarHBondContact O-N 3.15Å; D883-S886 VanDerWaalsContact O-CB 3.25Å; D883-S886 WeakPolarHBondContact O-CB 3.47Å; D883-S886 PolarHBondContact O-N 3.37Å; D883-S886 PolarHBondContact O-OG 2.96Å
884	E	37	Very low	39.8	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-63.9	-9.2	-171.4	-63.1	-169.5	138.1	0	0	114.8	S886	E884-S886 PolarHBondContact O-N 3.21Å
885	S	32.6	Very low	39.2	Very low	114 Å²	114	147.4 Å²	147.4	80%	0.797	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-75.5	1.4	171.4	56	0	0	0	0	114.4	D883	D883-S885 PolarHBondContact O-N 3.15Å
886	S	31.9	Very low	38.5	Very low	84 Å²	84	147.6 Å²	147.6	59%	0.587	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-104.3	11.3	-170.6	-48	0	0	0	0	115.6	D883 E884	D883-S886 VanDerWaalsContact O-CB 3.25Å; D883-S886 WeakPolarHBondContact O-CB 3.47Å; D883-S886 PolarHBondContact O-N 3.37Å; D883-S886 PolarHBondContact O-OG 2.96Å; E884-S886 PolarHBondContact O-N 3.21Å
887	I	30.4	Very low	37.8	Very low	220 Å²	220	152.2 Å²	152.2	100%	1.128	81%	0.809	S	S	*	*			trans	-104.6	0	-174	-62.8	179.2	0	0	0	111.5

Retrieved 887 of 887 residues in 550.1 ms (Link to these results)

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