A0A087YJN7_POEFO Loading...

Serotransferrin

Transferrins are iron binding transport proteins which bind Fe(3+) ion in association with the binding of an anion, usually bicarbonate.

AlphaFold DB , UniProt , Accession A0A087YJN7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 728 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	38.3	Very low	249 Å²	249	157.5 Å²	157.5	100%	1.227	83%	0.831	S	S	*	*				0	92.8	0	-69.8	160.5	82.2	0	0	107.9
2	R	34.2	Very low	38.5	Very low	255 Å²	255	154.6 Å²	154.6	96%	0.962	81%	0.814	S	S	*	*			trans	-81	153.5	163.4	-68.9	170.4	171.6	176.5	-4.3	106.3
3	G	32.1	Very low	38.6	Very low	74 Å²	74	157.6 Å²	157.6	76%	0.763	82%	0.817	S	S	*	*			cis	179.6	177.9	9.5	0	0	0	0	0	109.3
4	S	40.7	Very low	38.7	Very low	121 Å²	121	154.1 Å²	154.1	85%	0.846	81%	0.806	S	S	*	*			trans	-49.5	149.4	177.7	-42	0	0	0	0	115
5	S	31.2	Very low	38.4	Very low	113 Å²	113	150.4 Å²	150.4	79%	0.79	80%	0.797	S	S	*	*				-168.1	129.9	120.9	-144.8	0	0	0	0	112.8
6	H	42.4	Very low	38.1	Very low	183 Å²	183	148 Å²	148	85%	0.847	79%	0.794	S	S	*	*			trans	-62	131.5	164.7	-70.4	-90.8	0	0	0	110.6
7	I	37.9	Very low	38.3	Very low	145 Å²	145	147.9 Å²	147.9	74%	0.744	79%	0.791	S	S	*	*			trans	-131.2	101	154.6	-62.7	-177.7	0	0	0	108	L9	I7-L9 HydrophobicContact CG2-CD1 4.24Å; I7-L9 PolarHBondContact O-N 3.27Å
8	L	42.4	Very low	38.6	Very low	141 Å²	141	152.3 Å²	152.3	74%	0.738	80%	0.795	S	S	*	*			trans	-67.4	100.1	167.4	-167.2	78.5	0	0	0	107.9	F10	L8-F10 HydrophobicContact CD2-CD2 3.66Å; L8-F10 HydrophobicContact CD2-CE2 3.62Å; L8-F10 HydrophobicContact CG-CD2 4.13Å; L8-F10 HydrophobicContact CG-CE2 4.44Å; L8-F10 PolarHBondContact O-N 3.4Å
9	L	38.4	Very low	39.2	Very low	143 Å²	143	147.4 Å²	147.4	75%	0.749	78%	0.779	S	S	*	*			trans	-78.9	88.6	172.1	-131	98.3	0	0	0	108.6	I7 L11	I7-L9 HydrophobicContact CG2-CD1 4.24Å; I7-L9 PolarHBondContact O-N 3.27Å; L9-L11 VanDerWaalsContact C-N 3.29Å; L9-L11 PolarHBondContact O-N 3.47Å
10	F	39.5	Very low	40.3	Very low	168 Å²	168	147.3 Å²	147.3	74%	0.737	77%	0.772	S	S	*	*			trans	-62.5	93.8	161.4	-106.6	-89.1	0	0	0	107.8	L8 I12	L8-F10 HydrophobicContact CD2-CD2 3.66Å; L8-F10 HydrophobicContact CD2-CE2 3.62Å; L8-F10 HydrophobicContact CG-CD2 4.13Å; L8-F10 HydrophobicContact CG-CE2 4.44Å; L8-F10 PolarHBondContact O-N 3.4Å; F10-I12 PolarHBondContact O-N 3.32Å
11	L	40.9	Very low	42	Very low	140 Å²	140	147.1 Å²	147.1	73%	0.733	76%	0.764	S	S	*	*			trans	-68.2	87	160	-90.8	157	0	0	0	107	L9 F13	L9-L11 VanDerWaalsContact C-N 3.29Å; L9-L11 PolarHBondContact O-N 3.47Å; L11-F13 PolarHBondContact O-N 2.73Å
12	I	40.3	Very low	44.2	Very low	123 Å²	123	135.3 Å²	135.3	63%	0.631	71%	0.706	S	S	*	*			trans	-60.4	95.2	158.3	-65.2	171.3	0	0	0	105	F10 T14	F10-I12 PolarHBondContact O-N 3.32Å; I12-T14 HydrophobicContact CG2-CG2 4.03Å; I12-T14 PolarHBondContact O-N 3.25Å; I12-T14 PolarHBondContact O-OG1 2.98Å
13	F	39.8	Very low	47.1	Very low	194 Å²	194	125.7 Å²	125.7	85%	0.851	67%	0.67	S	S	*	*			trans	-68.1	75.5	160.7	-130.3	-91.2	0	0	0	105.8	L11 C15	L11-F13 PolarHBondContact O-N 2.73Å; F13-C15 PolarHBondContact O-N 3.17Å
14	T	40.1	Very low	50.1	Low	109 Å²	109	122.2 Å²	122.2	67%	0.669	63%	0.634	S	S	*	*			trans	-59.9	92.6	159.3	7.5	0	0	0	0	104.5	I12 C16	I12-T14 HydrophobicContact CG2-CG2 4.03Å; I12-T14 PolarHBondContact O-N 3.25Å; I12-T14 PolarHBondContact O-OG1 2.98Å; T14-C16 PolarHBondContact O-N 2.95Å
15	C	34	Very low	52.8	Low	98 Å²	98	116.4 Å²	116.4	66%	0.662	59%	0.594	S	S	*	*			trans	-57.3	93.1	161.2	-174.4	0	0	0	0	105	F13 I17	F13-C15 PolarHBondContact O-N 3.17Å; C15-I17 PolarHBondContact O-N 3.46Å
16	C	33.6	Very low	55.9	Low	112 Å²	112	111 Å²	111	76%	0.757	56%	0.556	S	S	*	*			trans	-61.2	85.6	163.8	-83.4	0	0	0	0	105.7	T14 R18	T14-C16 PolarHBondContact O-N 2.95Å; C16-R18 PolarHBondContact O-N 2.99Å
17	I	41.3	Very low	58.3	Low	146 Å²	146	102.7 Å²	102.7	75%	0.749	52%	0.518	S	S	*	.			trans	-62.3	89	161.3	-58.4	174.4	0	0	0	103.9	C15 A19	C15-I17 PolarHBondContact O-N 3.46Å; I17-A19 VanDerWaalsContact C-N 3.32Å; I17-A19 PolarHBondContact O-N 3Å
18	R	43.4	Very low	60.8	Low	228 Å²	228	95.8 Å²	95.8	86%	0.86	48%	0.482	S	S	*	.			trans	-59.5	102.5	173.4	-142	178.2	-170.5	-177.8	3	104.8	C16 K20	C16-R18 PolarHBondContact O-N 2.99Å; R18-K20 PolarHBondContact O-N 3.47Å
19	A	51.3	Low	63.1	Low	59 Å²	59	92.6 Å²	92.6	49%	0.488	47%	0.466	S	S	.	.			trans	-55.2	110.7	-177.9	0	0	0	0	0	107.9	I17 K21 A55	I17-A19 VanDerWaalsContact C-N 3.32Å; I17-A19 PolarHBondContact O-N 3Å; A19-K21 PolarHBondContact O-N 3.37Å; A19-A55 HydrophobicContact CB-CB 3.82Å
20	K	60.4	Low	65.7	Low	145 Å²	145	86.6 Å²	86.6	63%	0.63	44%	0.436	S	S	*	.			trans	-74.1	114.9	-176.3	-70.6	-177.2	179.9	176	0	108.2	R18 M22 A55 F282	R18-K20 PolarHBondContact O-N 3.47Å; K20-M22 PolarHBondContact O-N 3.16Å; K20-A55 WeakPolarHBondContact O-CB 3.08Å; K20-F282 HydrophobicContact CB-CZ 3.95Å; K20-F282 HydrophobicContact CD-CE2 4.15Å; K20-F282 HydrophobicContact CD-CZ 3.96Å
21	K	75.9	Confident	68.2	Low	143 Å²	143	79.3 Å²	79.3	62%	0.622	40%	0.404	S	S	*	.			trans	-50.4	131.6	178.6	-58.9	-173.7	178.7	175.8	0	111.1	A19 A55 D78	A19-K21 PolarHBondContact O-N 3.37Å; K21-A55 VanDerWaalsContact CA-CB 3.42Å; K21-A55 VanDerWaalsContact CA-O 3.32Å; K21-A55 WeakPolarHBondContact CA-O 3.48Å; K21-A55 WeakPolarHBondContact CG-O 3.45Å; K21-D78 VanDerWaalsContact O-OD2 3.07Å
22	M	88.5	Confident	70.8	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.005	38%	0.381	C	S	.	.			trans	-74.9	123.1	172.2	-172.1	67.1	83.1	0	0	109.8	K20 F54 L57 S58 D78 L79 F282 V285 V286 F289	K20-M22 PolarHBondContact O-N 3.16Å; M22-F54 WeakPolarHBondContact CB-O 3.17Å; M22-F54 PolarHBondContact N-O 2.98Å; M22-L57 HydrophobicContact CB-CD1 4.49Å; M22-L57 HydrophobicContact CG-CD1 4.22Å; M22-L57 CarbonylContact O-C 3.23Å; M22-S58 PolarHBondContact O-N 3.12Å; M22-S58 PolarHBondContact O-OG 3.19Å; M22-D78 HydrophobicContact SD-CB 3.91Å; M22-L79 HydrophobicContact CG-CD2 3.57Å; M22-L79 HydrophobicContact SD-CD2 3.35Å; M22-L79 WeakPolarHBondContact SD-CD2 3.44Å; M22-F282 HydrophobicContact SD-CD1 4.34Å; M22-V285 HydrophobicContact CE-CB 4.4Å; M22-V285 HydrophobicContact CE-CG1 3.71Å; M22-V286 HydrophobicContact CE-CB 4.42Å; M22-V286 HydrophobicContact CE-CG2 3.71Å; M22-V286 HydrophobicContact SD-CG2 3.94Å; M22-F289 HydrophobicContact CE-CB 4Å; M22-F289 HydrophobicContact CE-CD1 4.39Å; M22-F289 HydrophobicContact CE-CG 4.18Å; M22-F289 HydrophobicContact CG-CD1 4.46Å; M22-F289 HydrophobicContact CG-CE1 4.46Å
23	R	93.9	Very high	73.4	Confident	54 Å²	54	76.9 Å²	76.9	20%	0.204	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	107.3	-178.6	-65	165.1	-62.6	171.7	6.3	111.3	S58 V60 N75 R76 D78 L79	R23-S58 CarbonylContact C-O 3.37Å; R23-S58 VanDerWaalsContact CA-O 3.32Å; R23-S58 WeakPolarHBondContact CA-O 3.39Å; R23-S58 WeakPolarHBondContact CG-OG 3.36Å; R23-V60 HydrophobicContact CB-CG2 3.82Å; R23-V60 HydrophobicContact CG-CG2 4.14Å; R23-N75 VanDerWaalsContact CZ-O 3.27Å; R23-N75 PolarHBondContact NH1-O 3.44Å; R23-N75 PolarHBondContact NH2-O 3.42Å; R23-N75 PolarHBondContact NH2-OD1 3.11Å; R23-R76 PolarHBondContact NH1-O 2.7Å; R23-D78 HydrophobicContact CB-CB 4.43Å; R23-D78 VanDerWaalsContact CB-OD2 3.26Å; R23-D78 WeakPolarHBondContact CB-OD2 3.37Å; R23-D78 IonicContact CZ-OD1 3.86Å; R23-D78 IonicContact CZ-OD2 3.58Å; R23-D78 PolarHBondContact N-OD2 2.96Å; R23-D78 IonicContact NE-OD1 3.12Å; R23-D78 IonicContact NE-OD2 3.56Å; R23-D78 PolarHBondContact NE-OD2 3.34Å; R23-D78 IonicContact NH2-OD1 2.67Å; R23-D78 PolarHBondContact NH2-OD1 3.1Å; R23-D78 IonicContact NH2-OD2 2.77Å; R23-D78 WeakPolarHBondContact O-CA 3.24Å; R23-D78 PolarHBondContact O-N 3.4Å; R23-L79 PolarHBondContact O-N 2.91Å
24	W	96.4	Very high	76	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.9	173	-165.4	-62.9	0	0	0	110.1	L38 L57 S58 C59 V60 L79 M276 F289 I290 L321 F322	W24-L38 HydrophobicContact CZ3-CD2 4.49Å; W24-L57 HydrophobicContact CB-CD1 3.94Å; W24-L57 HydrophobicContact CE3-CD1 4.48Å; W24-S58 PolarHBondContact N-O 2.65Å; W24-C59 CarbonylContact O-C 3.58Å; W24-C59 WeakPolarHBondContact O-CA 3.44Å; W24-V60 PolarHBondContact O-N 3.28Å; W24-L79 HydrophobicContact CD2-CD1 3.88Å; W24-L79 HydrophobicContact CD2-CG 4.13Å; W24-L79 HydrophobicContact CE3-CD1 3.41Å; W24-L79 VanDerWaalsContact CE3-CD1 3.41Å; W24-L79 HydrophobicContact CE3-CD2 4.49Å; W24-L79 HydrophobicContact CE3-CG 4.06Å; W24-L79 HydrophobicContact CG-CG 4.39Å; W24-L79 HydrophobicContact CH2-CD1 4.15Å; W24-L79 HydrophobicContact CZ3-CD1 3.58Å; W24-M276 HydrophobicContact CH2-CE 3.39Å; W24-M276 HydrophobicContact CZ2-CE 3.78Å; W24-M276 HydrophobicContact CZ3-CE 3.99Å; W24-F289 AromaticContact CE3-CE1 3.9Å; W24-F289 HydrophobicContact CE3-CE1 3.9Å; W24-F289 HydrophobicContact CE3-CZ 4.44Å; W24-F289 AromaticContact CZ3-CE1 3.79Å; W24-F289 HydrophobicContact CZ3-CE1 3.79Å; W24-F289 HydrophobicContact CZ3-CZ 4.49Å; W24-I290 HydrophobicContact CH2-CD1 4.32Å; W24-I290 HydrophobicContact CZ3-CD1 4.04Å; W24-L321 HydrophobicContact CZ2-CB 4.23Å; W24-L321 HydrophobicContact CZ2-CD2 4.44Å; W24-F322 HydrophobicContact CH2-CE1 4.49Å; W24-F322 AromaticContact CH2-CE2 3.53Å; W24-F322 HydrophobicContact CH2-CE2 3.53Å; W24-F322 AromaticContact CH2-CZ 3.46Å; W24-F322 HydrophobicContact CH2-CZ 3.46Å; W24-F322 VanDerWaalsContact CH2-CZ 3.46Å; W24-F322 AromaticContact CZ2-CE2 3.94Å; W24-F322 HydrophobicContact CZ2-CE2 3.94Å; W24-F322 AromaticContact CZ2-CZ 3.9Å; W24-F322 HydrophobicContact CZ2-CZ 3.9Å
25	C	97.5	Very high	78.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.5	177.6	-162.4	0	0	0	0	111.7	V60 A62 C68 A77 L79 V80	C25-V60 CarbonylContact C-O 3.49Å; C25-V60 VanDerWaalsContact CA-O 3.3Å; C25-V60 WeakPolarHBondContact CA-O 3.4Å; C25-A62 VanDerWaalsContact SG-CB 3.55Å; C25-C68 HydrophobicContact CB-CB 3.8Å; C25-C68 WeakPolarHBondContact CB-SG 3.44Å; C25-C68 WeakPolarHBondContact SG-CA 3.38Å; C25-C68 WeakPolarHBondContact SG-CB 2.98Å; C25-C68 CovalentContact SG-SG 2.03Å; C25-C68 PolarHBondContact SG-SG 3.48Å; C25-A77 HydrophobicContact CB-CB 3.89Å; C25-L79 PolarHBondContact N-O 3.22Å; C25-V80 HydrophobicContact CB-CB 4.12Å; C25-V80 HydrophobicContact CB-CG2 4.32Å
26	T	95.9	Very high	81.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.2	-179.3	63.5	0	0	0	0	110.5	E31 Q32 C35 V60 A62 L321	T26-E31 WeakPolarHBondContact CA-OE2 3.32Å; T26-E31 HydrophobicContact CG2-CG 3.93Å; T26-Q32 PolarHBondContact OG1-OE1 2.77Å; T26-C35 HydrophobicContact CG2-CB 3.82Å; T26-V60 PolarHBondContact N-O 3.08Å; T26-A62 PolarHBondContact O-N 2.81Å; T26-L321 HydrophobicContact CG2-CD2 4.01Å
27	V	92.8	Very high	84.4	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.042	28%	0.276	C	S	.	.	S	Bend	trans	-106.7	-7.9	-175.4	-57.4	0	0	0	0	113.4	E31 R61 T65 S207	V27-E31 VanDerWaalsContact CG2-OE2 3.25Å; V27-E31 WeakPolarHBondContact CG2-OE2 3.28Å; V27-E31 PolarHBondContact N-OE2 3.28Å; V27-R61 VanDerWaalsContact O-CZ 3.32Å; V27-R61 PolarHBondContact O-NH1 3.48Å; V27-R61 PolarHBondContact O-NH2 2.87Å; V27-T65 HydrophobicContact CG1-CG2 4.04Å; V27-S207 WeakPolarHBondContact O-CB 3.01Å
28	S	90.4	Very high	86.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-136.8	163.2	173.4	76.7	0	0	0	0	114.2	E31 Q32 R61 H208	S28-E31 PolarHBondContact N-OE2 3.21Å; S28-E31 PolarHBondContact O-N 2.98Å; S28-E31 VanDerWaalsContact OG-CB 3.24Å; S28-E31 WeakPolarHBondContact OG-CB 3.46Å; S28-E31 PolarHBondContact OG-N 3.46Å; S28-Q32 WeakPolarHBondContact O-CB 3.34Å; S28-Q32 PolarHBondContact O-N 3.3Å; S28-R61 VanDerWaalsContact C-CZ 3.42Å; S28-R61 VanDerWaalsContact CA-NH2 3.34Å; S28-H208 PolarHBondContact OG-ND1 3.37Å; S28-H208 VanDerWaalsContact OG-ND1 3.13Å
29	D	90.6	Very high	89.2	Confident	75 Å²	75	42.1 Å²	42.1	40%	0.401	21%	0.206	S	C	.	.	H	α-helix	trans	-66.9	-42.3	175.6	-72.5	-0.7	0	0	0	112.8	E31 Q32 R33 R61	D29-E31 VanDerWaalsContact C-N 3.26Å; D29-E31 PolarHBondContact O-N 2.8Å; D29-Q32 PolarHBondContact O-N 3.11Å; D29-R33 WeakPolarHBondContact O-CG 3.44Å; D29-R33 PolarHBondContact O-N 3.34Å; D29-R61 IonicContact OD1-CZ 2.78Å; D29-R61 IonicContact OD1-NE 2.7Å; D29-R61 PolarHBondContact OD1-NE 3.17Å; D29-R61 IonicContact OD1-NH2 2.67Å; D29-R61 PolarHBondContact OD1-NH2 3.01Å
30	P	92.6	Very high	91.1	Very high	17 Å²	17	45.3 Å²	45.3	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-57	-40.1	169.9	-26.6	36.5	0	0	0	112.7	R33 K34 E317 L320	P30-R33 PolarHBondContact O-N 2.97Å; P30-K34 PolarHBondContact O-N 2.62Å; P30-E317 HydrophobicContact CB-CG 4.32Å; P30-E317 HydrophobicContact CG-CG 4.05Å; P30-L320 HydrophobicContact CB-CD1 3.87Å; P30-L320 HydrophobicContact CB-CD2 3.92Å
31	E	93.3	Very high	92.6	Very high	15 Å²	15	38.9 Å²	38.9	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-69	-41.1	178.2	-169.7	178.8	-151.5	0	0	112.3	T26 V27 S28 D29 R33 K34 C35 L320 L321	T26-E31 WeakPolarHBondContact CA-OE2 3.32Å; T26-E31 HydrophobicContact CG2-CG 3.93Å; V27-E31 VanDerWaalsContact CG2-OE2 3.25Å; V27-E31 WeakPolarHBondContact CG2-OE2 3.28Å; V27-E31 PolarHBondContact N-OE2 3.28Å; S28-E31 PolarHBondContact N-OE2 3.21Å; S28-E31 PolarHBondContact O-N 2.98Å; S28-E31 VanDerWaalsContact OG-CB 3.24Å; S28-E31 WeakPolarHBondContact OG-CB 3.46Å; S28-E31 PolarHBondContact OG-N 3.46Å; D29-E31 VanDerWaalsContact C-N 3.26Å; D29-E31 PolarHBondContact O-N 2.8Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.24Å; E31-K34 PolarHBondContact O-N 3.21Å; E31-C35 WeakPolarHBondContact O-CB 3.33Å; E31-C35 PolarHBondContact O-N 2.03Å; E31-L320 HydrophobicContact CB-CD2 4.07Å; E31-L321 HydrophobicContact CG-CD2 3.38Å; E31-L321 HydrophobicContact CG-CG 3.88Å; E31-L321 WeakPolarHBondContact OE1-CA 3.41Å; E31-L321 PolarHBondContact OE1-N 2.87Å
32	Q	94.3	Very high	93.3	Very high	52 Å²	52	32.5 Å²	32.5	24%	0.243	16%	0.156	C	C	.	.	H	α-helix	trans	-58.1	-41.2	172.8	-177.6	69.5	3.4	0	0	111.4	T26 S28 D29 A36 C59	T26-Q32 PolarHBondContact OG1-OE1 2.77Å; S28-Q32 WeakPolarHBondContact O-CB 3.34Å; S28-Q32 PolarHBondContact O-N 3.3Å; D29-Q32 PolarHBondContact O-N 3.11Å; Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 3.48Å; Q32-C59 PolarHBondContact NE2-O 3.16Å; Q32-C59 VanDerWaalsContact OE1-CB 3.3Å
33	R	94.5	Very high	93.2	Very high	160 Å²	160	36.1 Å²	36.1	60%	0.604	18%	0.178	S	C	*	.	H	α-helix	trans	-64.9	-47.5	174.5	-69.2	179.3	-133.6	153.2	2.5	111.6	D29 P30 E31 C35 A36 E37	D29-R33 WeakPolarHBondContact O-CG 3.44Å; D29-R33 PolarHBondContact O-N 3.34Å; P30-R33 PolarHBondContact O-N 2.97Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.24Å; R33-C35 VanDerWaalsContact C-N 3.3Å; R33-C35 PolarHBondContact O-N 3.35Å; R33-A36 WeakPolarHBondContact O-CB 3.49Å; R33-A36 PolarHBondContact O-N 2.95Å; R33-E37 PolarHBondContact O-N 3.26Å
34	K	95.4	Very high	92.9	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.057	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-40.7	177.3	-170.9	177.1	179.8	-176	0	111.8	P30 E31 E37 L38 F307 L309 N311 S312 L320 L321	P30-K34 PolarHBondContact O-N 2.62Å; E31-K34 PolarHBondContact O-N 3.21Å; K34-E37 PolarHBondContact O-N 2.88Å; K34-L38 PolarHBondContact O-N 3.4Å; K34-F307 HydrophobicContact CG-CE2 4.24Å; K34-F307 HydrophobicContact CG-CZ 3.97Å; K34-L309 WeakPolarHBondContact CE-O 3.22Å; K34-L309 PolarHBondContact NZ-O 3.46Å; K34-L309 VanDerWaalsContact NZ-O 3.11Å; K34-N311 WeakPolarHBondContact CE-O 3.4Å; K34-N311 PolarHBondContact NZ-O 2.88Å; K34-S312 PolarHBondContact NZ-OG 2.97Å; K34-L320 HydrophobicContact CD-CB 3.51Å; K34-L320 HydrophobicContact CD-CD1 4.31Å; K34-L320 WeakPolarHBondContact CD-O 3.42Å; K34-L320 WeakPolarHBondContact CE-O 3.42Å; K34-L320 PolarHBondContact NZ-O 3.45Å; K34-L321 HydrophobicContact CB-CD1 4.25Å; K34-L321 HydrophobicContact CD-CD1 4.05Å; K34-L321 HydrophobicContact CD-CG 4.27Å; K34-L321 HydrophobicContact CG-CD1 3.84Å; K34-L321 HydrophobicContact CG-CG 4.44Å
35	C	95.4	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-41.7	173.6	176.3	0	0	0	0	112.4	T26 E31 R33 E37 L38 A39 C59 L321	T26-C35 HydrophobicContact CG2-CB 3.82Å; E31-C35 WeakPolarHBondContact O-CB 3.33Å; E31-C35 PolarHBondContact O-N 2.03Å; R33-C35 VanDerWaalsContact C-N 3.3Å; R33-C35 PolarHBondContact O-N 3.35Å; C35-E37 VanDerWaalsContact C-N 3.34Å; C35-E37 PolarHBondContact O-N 3.29Å; C35-L38 WeakPolarHBondContact O-CB 3.33Å; C35-L38 PolarHBondContact O-N 3.25Å; C35-A39 PolarHBondContact O-N 3.17Å; C35-C59 HydrophobicContact CB-CB 3.81Å; C35-C59 WeakPolarHBondContact CB-SG 3.37Å; C35-C59 PolarHBondContact O-SG 3.48Å; C35-C59 VanDerWaalsContact O-SG 3.41Å; C35-C59 WeakPolarHBondContact SG-CB 3.29Å; C35-C59 CovalentContact SG-SG 2.03Å; C35-C59 PolarHBondContact SG-SG 3Å; C35-L321 HydrophobicContact CB-CD1 4.45Å; C35-L321 HydrophobicContact CB-CD2 4.07Å
36	A	94.4	Very high	91.8	Very high	36 Å²	36	39 Å²	39	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-64.8	-38.6	177.6	0	0	0	0	0	111.8	Q32 R33 A39 K40 C59	Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 3.48Å; R33-A36 WeakPolarHBondContact O-CB 3.49Å; R33-A36 PolarHBondContact O-N 2.95Å; A36-A39 WeakPolarHBondContact O-CB 3.28Å; A36-A39 PolarHBondContact O-N 3.07Å; A36-K40 WeakPolarHBondContact O-CG 3.46Å; A36-K40 PolarHBondContact O-N 3.33Å; A36-C59 PolarHBondContact N-SG 3.12Å; A36-C59 VanDerWaalsContact N-SG 3.41Å
37	E	93.7	Very high	91.2	Very high	90 Å²	90	42.8 Å²	42.8	42%	0.421	23%	0.231	S	C	.	.	H	α-helix	trans	-66.4	-40	173.4	-66.1	-49	126	0	0	112.2	R33 K34 C35 A39 K40 A41 F307	R33-E37 PolarHBondContact O-N 3.26Å; K34-E37 PolarHBondContact O-N 2.88Å; C35-E37 VanDerWaalsContact C-N 3.34Å; C35-E37 PolarHBondContact O-N 3.29Å; E37-A39 VanDerWaalsContact C-N 3.3Å; E37-A39 PolarHBondContact O-N 2.9Å; E37-K40 PolarHBondContact O-N 3.48Å; E37-K40 IonicContact OE1-NZ 2.88Å; E37-K40 PolarHBondContact OE1-NZ 3.15Å; E37-K40 IonicContact OE2-NZ 3.59Å; E37-A41 WeakPolarHBondContact O-CB 3.46Å; E37-A41 PolarHBondContact O-N 2.87Å; E37-F307 HydrophobicContact CB-CD2 4.29Å; E37-F307 HydrophobicContact CB-CE2 4.03Å
38	L	93.3	Very high	90.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-44.2	170.7	174.8	58.8	0	0	0	111.2	W24 K34 C35 K40 A41 L42 L57 V293 F297 F307 L309	W24-L38 HydrophobicContact CZ3-CD2 4.49Å; K34-L38 PolarHBondContact O-N 3.4Å; C35-L38 WeakPolarHBondContact O-CB 3.33Å; C35-L38 PolarHBondContact O-N 3.25Å; L38-K40 VanDerWaalsContact C-N 3.34Å; L38-K40 PolarHBondContact O-N 3.32Å; L38-A41 PolarHBondContact O-N 3.28Å; L38-L42 HydrophobicContact CD1-CD1 3.98Å; L38-L42 HydrophobicContact CD1-CG 4Å; L38-L42 HydrophobicContact CG-CD1 3.93Å; L38-L42 HydrophobicContact CG-CG 4.44Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 2.79Å; L38-L57 HydrophobicContact CB-CD2 4.28Å; L38-L57 HydrophobicContact CD2-CD2 3.85Å; L38-L57 HydrophobicContact CG-CD2 3.78Å; L38-V293 HydrophobicContact CD1-CG1 4.13Å; L38-V293 HydrophobicContact CD2-CG1 4.42Å; L38-F297 HydrophobicContact CD1-CD2 3.81Å; L38-F297 HydrophobicContact CD1-CE2 4.07Å; L38-F307 HydrophobicContact CB-CD1 4.47Å; L38-F307 HydrophobicContact CB-CE1 3.84Å; L38-F307 HydrophobicContact CB-CE2 4.06Å; L38-F307 HydrophobicContact CB-CZ 3.62Å; L38-F307 HydrophobicContact CD1-CD1 3.81Å; L38-F307 HydrophobicContact CD1-CE1 3.65Å; L38-F307 HydrophobicContact CD1-CZ 4.34Å; L38-F307 HydrophobicContact CG-CE1 4.18Å; L38-F307 HydrophobicContact CG-CZ 4.44Å; L38-L309 HydrophobicContact CD2-CD1 4.34Å
39	A	92.1	Very high	89.7	Confident	17 Å²	17	51.6 Å²	51.6	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-44.1	178.7	0	0	0	0	0	111.5	C35 A36 E37 V43 L57	C35-A39 PolarHBondContact O-N 3.17Å; A36-A39 WeakPolarHBondContact O-CB 3.28Å; A36-A39 PolarHBondContact O-N 3.07Å; E37-A39 VanDerWaalsContact C-N 3.3Å; E37-A39 PolarHBondContact O-N 2.9Å; A39-V43 WeakPolarHBondContact O-CG2 3.07Å; A39-V43 PolarHBondContact O-N 2.76Å; A39-L57 HydrophobicContact CB-CB 3.9Å; A39-L57 HydrophobicContact CB-CD2 4Å; A39-L57 HydrophobicContact CB-CG 4.09Å
40	K	91.5	Very high	88.9	Confident	127 Å²	127	49.4 Å²	49.4	55%	0.552	29%	0.288	S	S	*	.	H	α-helix	trans	-63.1	-46.7	175	-68.2	171.8	-172.8	169.2	0	111.8	A36 E37 L38 L42 V43 A44	A36-K40 WeakPolarHBondContact O-CG 3.46Å; A36-K40 PolarHBondContact O-N 3.33Å; E37-K40 PolarHBondContact O-N 3.48Å; E37-K40 IonicContact OE1-NZ 2.88Å; E37-K40 PolarHBondContact OE1-NZ 3.15Å; E37-K40 IonicContact OE2-NZ 3.59Å; L38-K40 VanDerWaalsContact C-N 3.34Å; L38-K40 PolarHBondContact O-N 3.32Å; K40-L42 VanDerWaalsContact C-N 3.32Å; K40-L42 PolarHBondContact O-N 3.36Å; K40-V43 PolarHBondContact O-N 3.49Å; K40-A44 PolarHBondContact O-N 2.82Å; K40-A44 VanDerWaalsContact O-N 3.16Å
41	A	91.8	Very high	87.8	Confident	10 Å²	10	49.6 Å²	49.6	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-39.8	-179.7	0	0	0	0	0	112.1	E37 L38 A44 V45 F297 F307	E37-A41 WeakPolarHBondContact O-CB 3.46Å; E37-A41 PolarHBondContact O-N 2.87Å; L38-A41 PolarHBondContact O-N 3.28Å; A41-A44 PolarHBondContact O-N 2.9Å; A41-V45 WeakPolarHBondContact O-CG2 3.04Å; A41-V45 PolarHBondContact O-N 2.93Å; A41-F297 HydrophobicContact CB-CE1 4.09Å; A41-F297 HydrophobicContact CB-CE2 4.34Å; A41-F297 HydrophobicContact CB-CZ 3.77Å; A41-F307 HydrophobicContact CB-CB 3.75Å; A41-F307 HydrophobicContact CB-CG 4.25Å
42	L	90.6	Very high	86.7	Confident	9 Å²	9	51.6 Å²	51.6	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-45.5	176.3	-77.4	164.7	0	0	0	112.1	L38 K40 A44 V45 L46 L57 F289 V293 F297	L38-L42 HydrophobicContact CD1-CD1 3.98Å; L38-L42 HydrophobicContact CD1-CG 4Å; L38-L42 HydrophobicContact CG-CD1 3.93Å; L38-L42 HydrophobicContact CG-CG 4.44Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 2.79Å; K40-L42 VanDerWaalsContact C-N 3.32Å; K40-L42 PolarHBondContact O-N 3.36Å; L42-A44 PolarHBondContact O-N 3.03Å; L42-V45 PolarHBondContact O-N 2.97Å; L42-L46 HydrophobicContact CB-CD1 4.4Å; L42-L46 HydrophobicContact CD2-CD1 3.48Å; L42-L46 VanDerWaalsContact CD2-CD1 3.48Å; L42-L46 HydrophobicContact CD2-CG 4.13Å; L42-L46 WeakPolarHBondContact O-CB 3.41Å; L42-L46 PolarHBondContact O-N 3.24Å; L42-L57 HydrophobicContact CD1-CB 4.13Å; L42-L57 HydrophobicContact CD1-CD2 3.83Å; L42-F289 HydrophobicContact CD1-CE2 3.78Å; L42-F289 HydrophobicContact CD1-CZ 4.09Å; L42-V293 HydrophobicContact CD1-CG2 4.32Å; L42-V293 HydrophobicContact CD2-CG2 3.98Å; L42-F297 HydrophobicContact CD2-CD2 4.46Å; L42-F297 HydrophobicContact CD2-CE2 3.7Å; L42-F297 HydrophobicContact CG-CE2 3.93Å
43	V	87.8	Confident	85.4	Confident	76 Å²	76	52.2 Å²	52.2	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-62.1	-34.5	177	177.1	0	0	0	0	111.4	A39 K40 V51	A39-V43 WeakPolarHBondContact O-CG2 3.07Å; A39-V43 PolarHBondContact O-N 2.76Å; K40-V43 PolarHBondContact O-N 3.49Å; V43-V51 HydrophobicContact CG2-CG1 4.26Å
44	A	87.7	Confident	84.2	Confident	61 Å²	61	45.8 Å²	45.8	50%	0.504	30%	0.298	S	S	.	.	H	α-helix	trans	-78.9	-13.4	-178.5	0	0	0	0	0	114.7	K40 A41 L42 R306	K40-A44 PolarHBondContact O-N 2.82Å; K40-A44 VanDerWaalsContact O-N 3.16Å; A41-A44 PolarHBondContact O-N 2.9Å; L42-A44 PolarHBondContact O-N 3.03Å; A44-R306 PolarHBondContact O-NH1 2.81Å
45	V	87.4	Confident	82.4	Confident	33 Å²	33	45.7 Å²	45.7	20%	0.2	30%	0.3	C	S	.	.	H	α-helix	trans	-119.2	-35.7	-172.2	170.2	0	0	0	0	112.9	A41 L42 Q296 F297 K303	A41-V45 WeakPolarHBondContact O-CG2 3.04Å; A41-V45 PolarHBondContact O-N 2.93Å; L42-V45 PolarHBondContact O-N 2.97Å; V45-Q296 HydrophobicContact CG1-CB 4.34Å; V45-Q296 HydrophobicContact CG1-CG 3.98Å; V45-F297 HydrophobicContact CB-CZ 4.11Å; V45-F297 HydrophobicContact CG1-CZ 4.43Å; V45-F297 HydrophobicContact CG2-CE1 4.08Å; V45-F297 HydrophobicContact CG2-CZ 4Å; V45-K303 HydrophobicContact CG1-CB 4.32Å; V45-K303 HydrophobicContact CG1-CG 3.7Å; V45-K303 HydrophobicContact CG2-CB 4.15Å; V45-K303 HydrophobicContact CG2-CG 4Å
46	L	82.7	Confident	81.5	Confident	20 Å²	20	53.9 Å²	53.9	11%	0.105	33%	0.331	C	S	.	.	S	Bend	trans	-86.1	146	-173.9	-66.2	-177.9	0	0	0	112.1	L42 A50 V51 F54 Q296	L42-L46 HydrophobicContact CB-CD1 4.4Å; L42-L46 HydrophobicContact CD2-CD1 3.48Å; L42-L46 VanDerWaalsContact CD2-CD1 3.48Å; L42-L46 HydrophobicContact CD2-CG 4.13Å; L42-L46 WeakPolarHBondContact O-CB 3.41Å; L42-L46 PolarHBondContact O-N 3.24Å; L46-A50 HydrophobicContact CB-CB 4.26Å; L46-V51 HydrophobicContact CB-CG2 3.67Å; L46-F54 HydrophobicContact CD1-CD2 3.91Å; L46-F54 HydrophobicContact CD1-CE2 3.86Å; L46-Q296 HydrophobicContact CD2-CG 4.07Å
47	P	82.3	Confident	81.3	Confident	80 Å²	80	53.1 Å²	53.1	52%	0.519	32%	0.322	S	S	.	.			trans	-57.1	148.9	172.3	-23.2	32.1	0	0	0	111.8	A49 A50 V51	P47-A49 PolarHBondContact O-N 3.48Å; P47-A49 VanDerWaalsContact O-N 3.09Å; P47-A50 WeakPolarHBondContact O-CA 3.43Å; P47-A50 WeakPolarHBondContact O-CB 3.36Å; P47-A50 PolarHBondContact O-N 3.43Å; P47-V51 PolarHBondContact O-N 2.79Å
48	P	77.6	Confident	81.2	Confident	114 Å²	114	50.7 Å²	50.7	74%	0.74	32%	0.315	S	S	*	.	H	α-helix	trans	-52.2	-37.4	179.7	-28.7	35.1	0	0	0	113.8	V51 A52	P48-V51 PolarHBondContact O-N 2.95Å; P48-A52 VanDerWaalsContact O-CB 3.24Å; P48-A52 WeakPolarHBondContact O-CB 3.21Å; P48-A52 PolarHBondContact O-N 2.83Å
49	A	75.5	Confident	81.3	Confident	79 Å²	79	52 Å²	52	65%	0.653	32%	0.323	S	S	*	.	H	α-helix	trans	-63.9	-38.9	175.8	0	0	0	0	0	113.1	P47 A53	P47-A49 PolarHBondContact O-N 3.48Å; P47-A49 VanDerWaalsContact O-N 3.09Å; A49-A53 VanDerWaalsContact O-CB 3.27Å; A49-A53 WeakPolarHBondContact O-CB 3.48Å; A49-A53 PolarHBondContact O-N 3.1Å
50	A	72.2	Confident	81.6	Confident	28 Å²	28	52.7 Å²	52.7	23%	0.231	33%	0.326	C	S	.	.	H	α-helix	trans	-73.6	-39.4	176.2	0	0	0	0	0	111.6	L46 P47 A52 A53 F54	L46-A50 HydrophobicContact CB-CB 4.26Å; P47-A50 WeakPolarHBondContact O-CA 3.43Å; P47-A50 WeakPolarHBondContact O-CB 3.36Å; P47-A50 PolarHBondContact O-N 3.43Å; A50-A52 VanDerWaalsContact C-N 3.3Å; A50-A52 PolarHBondContact O-N 3.25Å; A50-A53 PolarHBondContact O-N 2.9Å; A50-F54 HydrophobicContact CB-CE2 4.49Å; A50-F54 WeakPolarHBondContact O-CD2 3.44Å; A50-F54 WeakPolarHBondContact O-CG 3.26Å; A50-F54 PolarHBondContact O-N 2.8Å
51	V	71.2	Confident	81.7	Confident	21 Å²	21	50.1 Å²	50.1	13%	0.127	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-39.8	173.2	177.7	0	0	0	0	111.1	V43 L46 P47 P48 A55 R56	V43-V51 HydrophobicContact CG2-CG1 4.26Å; L46-V51 HydrophobicContact CB-CG2 3.67Å; P47-V51 PolarHBondContact O-N 2.79Å; P48-V51 PolarHBondContact O-N 2.95Å; V51-A55 PolarHBondContact O-N 2.95Å; V51-R56 HydrophobicContact CG1-CG 3.93Å; V51-R56 PolarHBondContact O-N 3.22Å; V51-R56 VanDerWaalsContact O-N 3.12Å
52	A	68.9	Low	81.7	Confident	57 Å²	57	49.7 Å²	49.7	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-70.5	-37.6	174.6	0	0	0	0	0	112.3	P48 A50 F54 A55	P48-A52 VanDerWaalsContact O-CB 3.24Å; P48-A52 WeakPolarHBondContact O-CB 3.21Å; P48-A52 PolarHBondContact O-N 2.83Å; A50-A52 VanDerWaalsContact C-N 3.3Å; A50-A52 PolarHBondContact O-N 3.25Å; A52-F54 VanDerWaalsContact C-N 3.33Å; A52-F54 PolarHBondContact O-N 3.46Å; A52-A55 WeakPolarHBondContact O-CA 3.35Å; A52-A55 PolarHBondContact O-N 3.34Å
53	A	68.4	Low	81.5	Confident	66 Å²	66	51.2 Å²	51.2	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-33.4	176.5	0	0	0	0	0	113.1	A49 A50 A55	A49-A53 VanDerWaalsContact O-CB 3.27Å; A49-A53 WeakPolarHBondContact O-CB 3.48Å; A49-A53 PolarHBondContact O-N 3.1Å; A50-A53 PolarHBondContact O-N 2.9Å; A53-A55 VanDerWaalsContact C-N 3.31Å
54	F	68.3	Low	81.5	Confident	24 Å²	24	48.7 Å²	48.7	11%	0.105	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	2	170	-52.2	-43.6	0	0	0	113.1	M22 L46 A50 A52 R56 K288 F289 A292	M22-F54 WeakPolarHBondContact CB-O 3.17Å; M22-F54 PolarHBondContact N-O 2.98Å; L46-F54 HydrophobicContact CD1-CD2 3.91Å; L46-F54 HydrophobicContact CD1-CE2 3.86Å; A50-F54 HydrophobicContact CB-CE2 4.49Å; A50-F54 WeakPolarHBondContact O-CD2 3.44Å; A50-F54 WeakPolarHBondContact O-CG 3.26Å; A50-F54 PolarHBondContact O-N 2.8Å; A52-F54 VanDerWaalsContact C-N 3.33Å; A52-F54 PolarHBondContact O-N 3.46Å; F54-R56 PolarHBondContact O-N 2.93Å; F54-R56 VanDerWaalsContact O-N 3.14Å; F54-K288 HydrophobicContact CE1-CB 4.11Å; F54-F289 HydrophobicContact CB-CD2 4.04Å; F54-F289 HydrophobicContact CD1-CB 3.82Å; F54-F289 HydrophobicContact CD1-CD2 4.01Å; F54-F289 HydrophobicContact CD1-CG 4.4Å; F54-F289 AromaticContact CD2-CD2 3.93Å; F54-F289 HydrophobicContact CD2-CD2 3.93Å; F54-F289 VanDerWaalsContact CE1-CA 3.49Å; F54-F289 HydrophobicContact CE1-CB 3.81Å; F54-F289 HydrophobicContact CE1-CD2 4.46Å; F54-F289 HydrophobicContact CE2-CD2 4.38Å; F54-F289 HydrophobicContact CG-CB 4.42Å; F54-F289 AromaticContact CG-CD2 3.73Å; F54-F289 HydrophobicContact CG-CD2 3.73Å; F54-F289 HydrophobicContact CZ-CB 4.38Å; F54-A292 HydrophobicContact CE2-CB 3.83Å; F54-A292 HydrophobicContact CZ-CB 3.83Å
55	A	58.8	Low	81.7	Confident	11 Å²	11	46.2 Å²	46.2	9%	0.091	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	35.8	174.4	0	0	0	0	0	115.1	A19 K20 K21 V51 A52 A53	A19-A55 HydrophobicContact CB-CB 3.82Å; K20-A55 WeakPolarHBondContact O-CB 3.08Å; K21-A55 VanDerWaalsContact CA-CB 3.42Å; K21-A55 VanDerWaalsContact CA-O 3.32Å; K21-A55 WeakPolarHBondContact CA-O 3.48Å; K21-A55 WeakPolarHBondContact CG-O 3.45Å; V51-A55 PolarHBondContact O-N 2.95Å; A52-A55 WeakPolarHBondContact O-CA 3.35Å; A52-A55 PolarHBondContact O-N 3.34Å; A53-A55 VanDerWaalsContact C-N 3.31Å
56	R	76.4	Confident	81.9	Confident	173 Å²	173	47 Å²	47	65%	0.653	30%	0.295	S	S	*	.			trans	56.6	119.7	-171.6	-66.5	-180	169.5	167.7	-3	113.2	V51 F54 S58	V51-R56 HydrophobicContact CG1-CG 3.93Å; V51-R56 PolarHBondContact O-N 3.22Å; V51-R56 VanDerWaalsContact O-N 3.12Å; F54-R56 PolarHBondContact O-N 2.93Å; F54-R56 VanDerWaalsContact O-N 3.14Å; R56-S58 PolarHBondContact O-N 3.01Å
57	L	89.4	Confident	82.4	Confident	20 Å²	20	47.9 Å²	47.9	11%	0.105	30%	0.3	C	S	.	.			trans	-58.3	134.4	173.4	-177.3	64.6	0	0	0	110.3	M22 W24 L38 A39 L42 F289	M22-L57 HydrophobicContact CB-CD1 4.49Å; M22-L57 HydrophobicContact CG-CD1 4.22Å; M22-L57 CarbonylContact O-C 3.23Å; W24-L57 HydrophobicContact CB-CD1 3.94Å; W24-L57 HydrophobicContact CE3-CD1 4.48Å; L38-L57 HydrophobicContact CB-CD2 4.28Å; L38-L57 HydrophobicContact CD2-CD2 3.85Å; L38-L57 HydrophobicContact CG-CD2 3.78Å; A39-L57 HydrophobicContact CB-CB 3.9Å; A39-L57 HydrophobicContact CB-CD2 4Å; A39-L57 HydrophobicContact CB-CG 4.09Å; L42-L57 HydrophobicContact CD1-CB 4.13Å; L42-L57 HydrophobicContact CD1-CD2 3.83Å; L57-F289 HydrophobicContact CD1-CE1 4.42Å; L57-F289 HydrophobicContact CD1-CE2 4.48Å; L57-F289 HydrophobicContact CD1-CZ 3.79Å; L57-F289 HydrophobicContact CD2-CZ 4.2Å; L57-F289 HydrophobicContact CG-CZ 4.46Å
58	S	92.4	Very high	83	Confident	39 Å²	39	44 Å²	44	27%	0.273	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.5	171.9	54.2	0	0	0	0	109.5	M22 R23 W24 R56	M22-S58 PolarHBondContact O-N 3.12Å; M22-S58 PolarHBondContact O-OG 3.19Å; R23-S58 CarbonylContact C-O 3.37Å; R23-S58 VanDerWaalsContact CA-O 3.32Å; R23-S58 WeakPolarHBondContact CA-O 3.39Å; R23-S58 WeakPolarHBondContact CG-OG 3.36Å; W24-S58 PolarHBondContact N-O 2.65Å; R56-S58 PolarHBondContact O-N 3.01Å
59	C	95.4	Very high	83.9	Confident	26 Å²	26	39 Å²	39	18%	0.176	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.6	-173.5	-51.9	0	0	0	0	109.3	W24 Q32 C35 A36	W24-C59 CarbonylContact O-C 3.58Å; W24-C59 WeakPolarHBondContact O-CA 3.44Å; Q32-C59 PolarHBondContact NE2-O 3.16Å; Q32-C59 VanDerWaalsContact OE1-CB 3.3Å; C35-C59 HydrophobicContact CB-CB 3.81Å; C35-C59 WeakPolarHBondContact CB-SG 3.37Å; C35-C59 PolarHBondContact O-SG 3.48Å; C35-C59 VanDerWaalsContact O-SG 3.41Å; C35-C59 WeakPolarHBondContact SG-CB 3.29Å; C35-C59 CovalentContact SG-SG 2.03Å; C35-C59 PolarHBondContact SG-SG 3Å; A36-C59 PolarHBondContact N-SG 3.12Å; A36-C59 VanDerWaalsContact N-SG 3.41Å
60	V	96.4	Very high	84.8	Confident	33 Å²	33	39.1 Å²	39.1	20%	0.2	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.1	-177.7	177.7	0	0	0	0	108.5	R23 W24 C25 T26 K71 A77	R23-V60 HydrophobicContact CB-CG2 3.82Å; R23-V60 HydrophobicContact CG-CG2 4.14Å; W24-V60 PolarHBondContact O-N 3.28Å; C25-V60 CarbonylContact C-O 3.49Å; C25-V60 VanDerWaalsContact CA-O 3.3Å; C25-V60 WeakPolarHBondContact CA-O 3.4Å; T26-V60 PolarHBondContact N-O 3.08Å; V60-K71 HydrophobicContact CG1-CD 3.81Å; V60-A77 HydrophobicContact CB-CB 4.4Å; V60-A77 HydrophobicContact CG1-CB 4.45Å
61	R	93.7	Very high	86	Confident	72 Å²	72	39.4 Å²	39.4	27%	0.272	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	130.8	177.2	-170.2	75.2	173.9	81.5	1.8	110.5	V27 S28 D29 K71 N209	V27-R61 VanDerWaalsContact O-CZ 3.32Å; V27-R61 PolarHBondContact O-NH1 3.48Å; V27-R61 PolarHBondContact O-NH2 2.87Å; S28-R61 VanDerWaalsContact C-CZ 3.42Å; S28-R61 VanDerWaalsContact CA-NH2 3.34Å; D29-R61 IonicContact OD1-CZ 2.78Å; D29-R61 IonicContact OD1-NE 2.7Å; D29-R61 PolarHBondContact OD1-NE 3.17Å; D29-R61 IonicContact OD1-NH2 2.67Å; D29-R61 PolarHBondContact OD1-NH2 3.01Å; R61-K71 WeakPolarHBondContact O-CE 3.3Å; R61-N209 PolarHBondContact NH2-ND2 3.24Å
62	A	92.4	Very high	87.2	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.017	22%	0.221	C	C	.	.			trans	-125.1	152.4	172.2	0	0	0	0	0	110.2	C25 T26 S64 D67 C68 K71	C25-A62 VanDerWaalsContact SG-CB 3.55Å; T26-A62 PolarHBondContact O-N 2.81Å; A62-S64 VanDerWaalsContact C-N 3.32Å; A62-S64 PolarHBondContact O-N 3.18Å; A62-D67 VanDerWaalsContact CA-OD2 3.23Å; A62-D67 WeakPolarHBondContact CA-OD2 3.43Å; A62-D67 HydrophobicContact CB-CB 4.08Å; A62-D67 VanDerWaalsContact CB-OD2 3.31Å; A62-D67 WeakPolarHBondContact CB-OD2 3.49Å; A62-C68 HydrophobicContact CB-CB 4.23Å; A62-C68 WeakPolarHBondContact CB-SG 3.32Å; A62-K71 HydrophobicContact CB-CD 4.28Å
63	S	86.1	Confident	88.4	Confident	41 Å²	41	40.2 Å²	40.2	29%	0.287	22%	0.218	S	C	.	.	S	Bend	trans	-71.5	-28.9	-179.4	65.6	0	0	0	0	112.5	D67 E205	S63-D67 PolarHBondContact N-OD2 3.35Å; S63-E205 VanDerWaalsContact CB-OE1 3.29Å; S63-E205 WeakPolarHBondContact CB-OE1 3.44Å; S63-E205 WeakPolarHBondContact O-CG 3.46Å
64	S	88.7	Confident	89.7	Confident	23 Å²	23	39.7 Å²	39.7	16%	0.161	21%	0.214	C	C	.	.	S	Bend	trans	-149.5	168.4	-176.8	55.9	0	0	0	0	111.1	A62 A66 D67 C68 S206	A62-S64 VanDerWaalsContact C-N 3.32Å; A62-S64 PolarHBondContact O-N 3.18Å; S64-A66 VanDerWaalsContact C-N 3.25Å; S64-A66 PolarHBondContact O-N 3.1Å; S64-D67 PolarHBondContact O-N 2.9Å; S64-D67 WeakPolarHBondContact OG-CB 3.48Å; S64-D67 PolarHBondContact OG-N 2.85Å; S64-D67 VanDerWaalsContact OG-N 3.09Å; S64-C68 PolarHBondContact O-N 2.83Å; S64-S206 VanDerWaalsContact CB-OG 3.32Å; S64-S206 WeakPolarHBondContact CB-OG 3.12Å
65	T	92.2	Very high	90.9	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-55.6	-40.3	168.5	48.6	0	0	0	0	112	V27 C68 I69 L82 E86 S206	V27-T65 HydrophobicContact CG1-CG2 4.04Å; T65-C68 WeakPolarHBondContact O-CB 3.42Å; T65-C68 PolarHBondContact O-N 3.01Å; T65-I69 WeakPolarHBondContact O-CG1 3.21Å; T65-I69 PolarHBondContact O-N 3.33Å; T65-L82 HydrophobicContact CG2-CD2 3.98Å; T65-E86 WeakPolarHBondContact CB-OE1 3.41Å; T65-E86 PolarHBondContact OG1-OE1 3.12Å; T65-S206 PolarHBondContact N-OG 3.2Å; T65-S206 PolarHBondContact OG1-OG 3.44Å
66	A	90.7	Very high	92.7	Very high	51 Å²	51	50 Å²	50	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-46.8	173.8	0	0	0	0	0	112.5	S64 C68 I69 D70	S64-A66 VanDerWaalsContact C-N 3.25Å; S64-A66 PolarHBondContact O-N 3.1Å; A66-C68 PolarHBondContact O-N 2.53Å; A66-I69 WeakPolarHBondContact O-CB 3.42Å; A66-I69 PolarHBondContact O-N 3.14Å; A66-I69 VanDerWaalsContact O-N 3.12Å; A66-D70 PolarHBondContact O-N 2.01Å
67	D	92.4	Very high	93.6	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-32	174.7	-179.6	37.9	0	0	0	111.5	A62 S63 S64 K71	A62-D67 VanDerWaalsContact CA-OD2 3.23Å; A62-D67 WeakPolarHBondContact CA-OD2 3.43Å; A62-D67 HydrophobicContact CB-CB 4.08Å; A62-D67 VanDerWaalsContact CB-OD2 3.31Å; A62-D67 WeakPolarHBondContact CB-OD2 3.49Å; S63-D67 PolarHBondContact N-OD2 3.35Å; S64-D67 PolarHBondContact O-N 2.9Å; S64-D67 WeakPolarHBondContact OG-CB 3.48Å; S64-D67 PolarHBondContact OG-N 2.85Å; S64-D67 VanDerWaalsContact OG-N 3.09Å; D67-K71 WeakPolarHBondContact O-CB 3.15Å; D67-K71 VanDerWaalsContact O-CG 3.24Å; D67-K71 WeakPolarHBondContact O-CG 3.39Å; D67-K71 PolarHBondContact O-N 3.23Å; D67-K71 WeakPolarHBondContact OD1-CE 3.49Å; D67-K71 IonicContact OD1-NZ 2.76Å; D67-K71 PolarHBondContact OD1-NZ 3.35Å; D67-K71 WeakPolarHBondContact OD2-CE 3.49Å; D67-K71 IonicContact OD2-NZ 3.31Å; D67-K71 PolarHBondContact OD2-NZ 2.94Å
68	C	95.6	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-46.4	170.9	-88.1	0	0	0	0	112.6	C25 A62 S64 T65 A66 D70 K71 I72 V80	C25-C68 HydrophobicContact CB-CB 3.8Å; C25-C68 WeakPolarHBondContact CB-SG 3.44Å; C25-C68 WeakPolarHBondContact SG-CA 3.38Å; C25-C68 WeakPolarHBondContact SG-CB 2.98Å; C25-C68 CovalentContact SG-SG 2.03Å; C25-C68 PolarHBondContact SG-SG 3.48Å; A62-C68 HydrophobicContact CB-CB 4.23Å; A62-C68 WeakPolarHBondContact CB-SG 3.32Å; S64-C68 PolarHBondContact O-N 2.83Å; T65-C68 WeakPolarHBondContact O-CB 3.42Å; T65-C68 PolarHBondContact O-N 3.01Å; A66-C68 PolarHBondContact O-N 2.53Å; C68-D70 VanDerWaalsContact C-N 3.34Å; C68-D70 PolarHBondContact O-N 2.81Å; C68-K71 PolarHBondContact O-N 2.99Å; C68-I72 VanDerWaalsContact O-CG1 3.3Å; C68-I72 WeakPolarHBondContact O-CG1 3.41Å; C68-I72 PolarHBondContact O-N 2.95Å; C68-V80 HydrophobicContact CB-CB 4.35Å; C68-V80 HydrophobicContact CB-CG1 4.49Å; C68-V80 HydrophobicContact CB-CG2 3.97Å
69	I	95.8	Very high	94.1	Very high	8 Å²	8	39 Å²	39	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-47.3	176.8	-66.4	163.5	0	0	0	110	T65 A66 K71 I72 K73 L82 A90 F94 L96	T65-I69 WeakPolarHBondContact O-CG1 3.21Å; T65-I69 PolarHBondContact O-N 3.33Å; A66-I69 WeakPolarHBondContact O-CB 3.42Å; A66-I69 PolarHBondContact O-N 3.14Å; A66-I69 VanDerWaalsContact O-N 3.12Å; I69-K71 PolarHBondContact O-N 3.33Å; I69-I72 PolarHBondContact O-N 3.11Å; I69-I72 VanDerWaalsContact O-N 3.15Å; I69-K73 PolarHBondContact O-N 3.39Å; I69-L82 HydrophobicContact CD1-CD1 3.9Å; I69-L82 HydrophobicContact CG1-CD1 3.92Å; I69-A90 HydrophobicContact CD1-CB 3.99Å; I69-A90 HydrophobicContact CG1-CB 4.16Å; I69-A90 HydrophobicContact CG2-CB 4.31Å; I69-F94 HydrophobicContact CG2-CB 3.8Å; I69-F94 HydrophobicContact CG2-CD1 3.76Å; I69-F94 HydrophobicContact CG2-CD2 3.54Å; I69-F94 HydrophobicContact CG2-CE1 4.19Å; I69-F94 HydrophobicContact CG2-CE2 4Å; I69-F94 HydrophobicContact CG2-CG 3.41Å; I69-F94 VanDerWaalsContact CG2-CG 3.41Å; I69-F94 HydrophobicContact CG2-CZ 4.3Å; I69-L96 HydrophobicContact CG2-CD1 4.07Å
70	D	94.9	Very high	94.1	Very high	81 Å²	81	38 Å²	38	43%	0.433	20%	0.2	S	C	.	.	H	α-helix	trans	-59.4	-45.1	176.3	-75.1	-24.4	0	0	0	111.9	A66 C68 I72 K73 A74 F94	A66-D70 PolarHBondContact O-N 2.01Å; C68-D70 VanDerWaalsContact C-N 3.34Å; C68-D70 PolarHBondContact O-N 2.81Å; D70-I72 VanDerWaalsContact C-N 3.33Å; D70-I72 PolarHBondContact O-N 3.14Å; D70-K73 PolarHBondContact O-N 2.8Å; D70-A74 WeakPolarHBondContact O-CB 3.24Å; D70-A74 PolarHBondContact O-N 2.84Å; D70-F94 VanDerWaalsContact OD1-CE1 3.27Å; D70-F94 WeakPolarHBondContact OD1-CE1 3.06Å
71	K	96.8	Very high	94.1	Very high	35 Å²	35	37.5 Å²	37.5	15%	0.152	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-38	176.1	-77.1	-172.4	-144	-42.1	0	111.9	V60 R61 A62 D67 C68 I69 A74 N75 R76 A77	V60-K71 HydrophobicContact CG1-CD 3.81Å; R61-K71 WeakPolarHBondContact O-CE 3.3Å; A62-K71 HydrophobicContact CB-CD 4.28Å; D67-K71 WeakPolarHBondContact O-CB 3.15Å; D67-K71 VanDerWaalsContact O-CG 3.24Å; D67-K71 WeakPolarHBondContact O-CG 3.39Å; D67-K71 PolarHBondContact O-N 3.23Å; D67-K71 WeakPolarHBondContact OD1-CE 3.49Å; D67-K71 IonicContact OD1-NZ 2.76Å; D67-K71 PolarHBondContact OD1-NZ 3.35Å; D67-K71 WeakPolarHBondContact OD2-CE 3.49Å; D67-K71 IonicContact OD2-NZ 3.31Å; D67-K71 PolarHBondContact OD2-NZ 2.94Å; C68-K71 PolarHBondContact O-N 2.99Å; I69-K71 PolarHBondContact O-N 3.33Å; K71-A74 CarbonylContact O-C 3.5Å; K71-N75 PolarHBondContact O-N 3.12Å; K71-R76 HydrophobicContact CB-CB 4Å; K71-R76 HydrophobicContact CG-CB 4.17Å; K71-R76 WeakPolarHBondContact O-CA 3.39Å; K71-R76 WeakPolarHBondContact O-CB 3.36Å; K71-R76 PolarHBondContact O-N 3.01Å; K71-A77 HydrophobicContact CB-CB 4.1Å; K71-A77 PolarHBondContact O-N 2.8Å; K71-A77 VanDerWaalsContact O-N 3.08Å
72	I	96.9	Very high	94.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-49	176.2	-69.5	168.8	0	0	0	109.5	C68 I69 D70 A74 N75 A77 V80 L96 R279	C68-I72 VanDerWaalsContact O-CG1 3.3Å; C68-I72 WeakPolarHBondContact O-CG1 3.41Å; C68-I72 PolarHBondContact O-N 2.95Å; I69-I72 PolarHBondContact O-N 3.11Å; I69-I72 VanDerWaalsContact O-N 3.15Å; D70-I72 VanDerWaalsContact C-N 3.33Å; D70-I72 PolarHBondContact O-N 3.14Å; I72-A74 VanDerWaalsContact C-N 3.32Å; I72-A74 PolarHBondContact O-N 2.76Å; I72-N75 PolarHBondContact O-N 2.9Å; I72-A77 WeakPolarHBondContact CA-O 3.37Å; I72-A77 HydrophobicContact CG1-CB 3.79Å; I72-V80 HydrophobicContact CD1-CB 3.84Å; I72-V80 HydrophobicContact CD1-CG1 3.37Å; I72-L96 HydrophobicContact CB-CD1 4.26Å; I72-L96 HydrophobicContact CG2-CD1 3.88Å; I72-L96 HydrophobicContact CG2-CD2 3.82Å; I72-R279 HydrophobicContact CG2-CG 3.79Å; I72-R279 WeakPolarHBondContact O-CD 2.69Å; I72-R279 PolarHBondContact O-NE 2.74Å
73	K	95.1	Very high	94.4	Very high	94 Å²	94	34.8 Å²	34.8	41%	0.409	19%	0.19	S	C	.	.	H	α-helix	trans	-58.6	-44.3	177.3	-172	58	165	-164.3	0	111.9	I69 D70 N75 F94 D95	I69-K73 PolarHBondContact O-N 3.39Å; D70-K73 PolarHBondContact O-N 2.8Å; K73-N75 PolarHBondContact O-N 2.85Å; K73-N75 VanDerWaalsContact O-N 3.11Å; K73-F94 VanDerWaalsContact CD-O 3.28Å; K73-F94 WeakPolarHBondContact CD-O 3.46Å; K73-F94 VanDerWaalsContact CE-O 3.24Å; K73-F94 WeakPolarHBondContact CE-O 3.49Å; K73-F94 PolarHBondContact NZ-O 3.46Å; K73-D95 IonicContact NZ-OD2 2.85Å; K73-D95 PolarHBondContact NZ-OD2 3.44Å; K73-D95 VanDerWaalsContact NZ-OD2 3.12Å
74	A	95.3	Very high	94.8	Very high	55 Å²	55	33 Å²	33	46%	0.455	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	9.5	177	0	0	0	0	0	114.4	D70 K71 I72 R76	D70-A74 WeakPolarHBondContact O-CB 3.24Å; D70-A74 PolarHBondContact O-N 2.84Å; K71-A74 CarbonylContact O-C 3.5Å; I72-A74 VanDerWaalsContact C-N 3.32Å; I72-A74 PolarHBondContact O-N 2.76Å; A74-R76 HydrophobicContact CB-CG 4.34Å; A74-R76 PolarHBondContact O-N 2.87Å
75	N	93.5	Very high	95	Very high	83 Å²	83	31.9 Å²	31.9	44%	0.444	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	29.2	-179.7	-172.4	30.6	0	0	0	113.8	R23 K71 I72 K73 R279	R23-N75 VanDerWaalsContact CZ-O 3.27Å; R23-N75 PolarHBondContact NH1-O 3.44Å; R23-N75 PolarHBondContact NH2-O 3.42Å; R23-N75 PolarHBondContact NH2-OD1 3.11Å; K71-N75 PolarHBondContact O-N 3.12Å; I72-N75 PolarHBondContact O-N 2.9Å; K73-N75 PolarHBondContact O-N 2.85Å; K73-N75 VanDerWaalsContact O-N 3.11Å; N75-R279 PolarHBondContact OD1-NH1 3.35Å; N75-R279 PolarHBondContact OD1-NH2 2.93Å
76	R	95.4	Very high	95.1	Very high	170 Å²	170	32.2 Å²	32.2	64%	0.642	17%	0.171	S	C	*	.	S	Bend	trans	-97.8	-22.2	174.9	-63.9	-178.6	-176.8	162.6	0.3	112.7	R23 K71 A74	R23-R76 PolarHBondContact NH1-O 2.7Å; K71-R76 HydrophobicContact CB-CB 4Å; K71-R76 HydrophobicContact CG-CB 4.17Å; K71-R76 WeakPolarHBondContact O-CA 3.39Å; K71-R76 WeakPolarHBondContact O-CB 3.36Å; K71-R76 PolarHBondContact O-N 3.01Å; A74-R76 HydrophobicContact CB-CG 4.34Å; A74-R76 PolarHBondContact O-N 2.87Å
77	A	96.4	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.			trans	-133.1	171.3	168.2	0	0	0	0	0	110.3	C25 V60 K71 I72	C25-A77 HydrophobicContact CB-CB 3.89Å; V60-A77 HydrophobicContact CB-CB 4.4Å; V60-A77 HydrophobicContact CG1-CB 4.45Å; K71-A77 HydrophobicContact CB-CB 4.1Å; K71-A77 PolarHBondContact O-N 2.8Å; K71-A77 VanDerWaalsContact O-N 3.08Å; I72-A77 WeakPolarHBondContact CA-O 3.37Å; I72-A77 HydrophobicContact CG1-CB 3.79Å
78	D	95.5	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.			trans	-121.3	-32.4	-176.1	-59.2	-48.7	0	0	0	113.8	K21 M22 R23 T278 R279 F282	K21-D78 VanDerWaalsContact O-OD2 3.07Å; M22-D78 HydrophobicContact SD-CB 3.91Å; R23-D78 HydrophobicContact CB-CB 4.43Å; R23-D78 VanDerWaalsContact CB-OD2 3.26Å; R23-D78 WeakPolarHBondContact CB-OD2 3.37Å; R23-D78 IonicContact CZ-OD1 3.86Å; R23-D78 IonicContact CZ-OD2 3.58Å; R23-D78 PolarHBondContact N-OD2 2.96Å; R23-D78 IonicContact NE-OD1 3.12Å; R23-D78 IonicContact NE-OD2 3.56Å; R23-D78 PolarHBondContact NE-OD2 3.34Å; R23-D78 IonicContact NH2-OD1 2.67Å; R23-D78 PolarHBondContact NH2-OD1 3.1Å; R23-D78 IonicContact NH2-OD2 2.77Å; R23-D78 WeakPolarHBondContact O-CA 3.24Å; R23-D78 PolarHBondContact O-N 3.4Å; D78-T278 VanDerWaalsContact O-CB 3.26Å; D78-T278 WeakPolarHBondContact O-CB 3.35Å; D78-T278 PolarHBondContact O-OG1 2.91Å; D78-R279 IonicContact OD1-CZ 3.38Å; D78-R279 IonicContact OD1-NH2 3.54Å; D78-R279 PolarHBondContact OD1-NH2 2.03Å; D78-F282 HydrophobicContact CB-CD1 4.1Å; D78-F282 HydrophobicContact CB-CE1 4.22Å
79	L	95.9	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.4	178.2	66.4	153.5	0	0	0	112.6	M22 R23 W24 C25 M276 V277 V286 F289 I290	M22-L79 HydrophobicContact CG-CD2 3.57Å; M22-L79 HydrophobicContact SD-CD2 3.35Å; M22-L79 WeakPolarHBondContact SD-CD2 3.44Å; R23-L79 PolarHBondContact O-N 2.91Å; W24-L79 HydrophobicContact CD2-CD1 3.88Å; W24-L79 HydrophobicContact CD2-CG 4.13Å; W24-L79 HydrophobicContact CE3-CD1 3.41Å; W24-L79 VanDerWaalsContact CE3-CD1 3.41Å; W24-L79 HydrophobicContact CE3-CD2 4.49Å; W24-L79 HydrophobicContact CE3-CG 4.06Å; W24-L79 HydrophobicContact CG-CG 4.39Å; W24-L79 HydrophobicContact CH2-CD1 4.15Å; W24-L79 HydrophobicContact CZ3-CD1 3.58Å; C25-L79 PolarHBondContact N-O 3.22Å; L79-M276 HydrophobicContact CD1-CE 3.56Å; L79-V277 WeakPolarHBondContact CA-O 3.16Å; L79-V286 HydrophobicContact CB-CG1 4.37Å; L79-V286 HydrophobicContact CD1-CG1 4.22Å; L79-F289 HydrophobicContact CD1-CD1 4.38Å; L79-F289 HydrophobicContact CD1-CE1 4.21Å; L79-I290 HydrophobicContact CD1-CD1 4.12Å
80	V	97	Very high	95.2	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	150.2	173.4	64.9	0	0	0	0	108.9	C25 C68 I72 L82 M276 V277	C25-V80 HydrophobicContact CB-CB 4.12Å; C25-V80 HydrophobicContact CB-CG2 4.32Å; C68-V80 HydrophobicContact CB-CB 4.35Å; C68-V80 HydrophobicContact CB-CG1 4.49Å; C68-V80 HydrophobicContact CB-CG2 3.97Å; I72-V80 HydrophobicContact CD1-CB 3.84Å; I72-V80 HydrophobicContact CD1-CG1 3.37Å; V80-L82 HydrophobicContact CG1-CD1 3.99Å; V80-L82 HydrophobicContact CG1-CD2 4.04Å; V80-L82 HydrophobicContact CG1-CG 3.85Å; V80-L82 HydrophobicContact CG2-CD2 4.05Å; V80-L82 HydrophobicContact CG2-CG 4.48Å; V80-M276 WeakPolarHBondContact O-CA 3.45Å; V80-V277 HydrophobicContact CG1-CG2 3.62Å; V80-V277 PolarHBondContact N-O 2.98Å; V80-V277 PolarHBondContact O-N 2.85Å
81	A	96.3	Very high	95.1	Very high	24 Å²	24	25.3 Å²	25.3	20%	0.198	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136	168	0	0	0	0	0	108.9	G275 M276 L321 F322	A81-G275 WeakPolarHBondContact CA-O 3.46Å; A81-M276 HydrophobicContact CB-CG 4.46Å; A81-L321 WeakPolarHBondContact CB-O 3.42Å; A81-F322 HydrophobicContact CB-CD1 4.2Å; A81-F322 HydrophobicContact CB-CE1 4.13Å
82	L	96.1	Very high	94.8	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.5	-173.9	-63.1	174	0	0	0	110	T65 I69 V80 E86 V87 A90 G274 G275 V277	T65-L82 HydrophobicContact CG2-CD2 3.98Å; I69-L82 HydrophobicContact CD1-CD1 3.9Å; I69-L82 HydrophobicContact CG1-CD1 3.92Å; V80-L82 HydrophobicContact CG1-CD1 3.99Å; V80-L82 HydrophobicContact CG1-CD2 4.04Å; V80-L82 HydrophobicContact CG1-CG 3.85Å; V80-L82 HydrophobicContact CG2-CD2 4.05Å; V80-L82 HydrophobicContact CG2-CG 4.48Å; L82-E86 HydrophobicContact CB-CB 4.01Å; L82-E86 HydrophobicContact CD1-CB 4.37Å; L82-E86 HydrophobicContact CD2-CB 4.48Å; L82-V87 HydrophobicContact CB-CG2 3.75Å; L82-A90 HydrophobicContact CD1-CB 4.08Å; L82-G274 CarbonylContact O-C 3.59Å; L82-G274 VanDerWaalsContact O-CA 3.24Å; L82-G274 WeakPolarHBondContact O-CA 3.14Å; L82-G275 PolarHBondContact N-O 3.43Å; L82-G275 PolarHBondContact O-N 3.39Å; L82-V277 HydrophobicContact CD1-CG1 4.45Å; L82-V277 HydrophobicContact CD1-CG2 3.54Å; L82-V277 HydrophobicContact CG-CG2 4.35Å
83	D	95.6	Very high	94.5	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.032	16%	0.156	C	C	.	.			trans	-66.6	152.8	165.3	-171.3	-85.5	0	0	0	110.8	G85 E86 V87 W138 T139 R323	D83-G85 VanDerWaalsContact C-N 3.27Å; D83-G85 PolarHBondContact O-N 3.11Å; D83-G85 PolarHBondContact OD1-N 3.4Å; D83-E86 WeakPolarHBondContact O-CA 2.93Å; D83-E86 WeakPolarHBondContact O-CB 2.83Å; D83-E86 PolarHBondContact O-N 3.1Å; D83-V87 WeakPolarHBondContact O-CG2 3.44Å; D83-V87 PolarHBondContact O-N 3.12Å; D83-W138 HydrophobicContact CB-CB 4.39Å; D83-W138 HydrophobicContact CB-CD2 3.98Å; D83-W138 HydrophobicContact CB-CG 3.82Å; D83-W138 WeakPolarHBondContact OD1-CA 3.45Å; D83-T139 WeakPolarHBondContact OD1-CB 3.33Å; D83-T139 PolarHBondContact OD1-N 2.78Å; D83-T139 PolarHBondContact OD1-OG1 3.42Å; D83-R323 IonicContact OD2-CZ 3.99Å; D83-R323 IonicContact OD2-NH2 3.57Å; D83-R323 PolarHBondContact OD2-NH2 2.83Å
84	A	94.6	Very high	94.3	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-36.9	-172.5	0	0	0	0	0	113.9	E86 V87 Y88 T139 P272 G273 M342 Y346	A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 3.39Å; A84-V87 WeakPolarHBondContact O-CB 3.21Å; A84-V87 PolarHBondContact O-N 3.32Å; A84-Y88 PolarHBondContact O-N 3.37Å; A84-T139 WeakPolarHBondContact CB-OG1 3.18Å; A84-P272 HydrophobicContact CB-CB 4.21Å; A84-P272 HydrophobicContact CB-CG 3.71Å; A84-P272 WeakPolarHBondContact CB-O 2.88Å; A84-G273 WeakPolarHBondContact CB-O 3.37Å; A84-M342 WeakPolarHBondContact O-CE 3.26Å; A84-Y346 HydrophobicContact CB-CE1 3.84Å
85	G	93.7	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-30.6	177.7	0	0	0	0	0	113.3	D83 S89 R137 Y346 H355	D83-G85 VanDerWaalsContact C-N 3.27Å; D83-G85 PolarHBondContact O-N 3.11Å; D83-G85 PolarHBondContact OD1-N 3.4Å; G85-S89 PolarHBondContact O-N 3.14Å; G85-R137 CarbonylContact C-O 3.52Å; G85-R137 VanDerWaalsContact CA-O 3.24Å; G85-R137 WeakPolarHBondContact CA-O 3.45Å; G85-Y346 VanDerWaalsContact CA-OH 3.29Å; G85-Y346 WeakPolarHBondContact CA-OH 3.5Å; G85-Y346 PolarHBondContact N-OH 3.36Å; G85-Y346 VanDerWaalsContact N-OH 3.16Å; G85-H355 PolarHBondContact O-ND1 3.37Å
86	E	94.4	Very high	94.2	Very high	16 Å²	16	27.3 Å²	27.3	8%	0.075	13%	0.129	C	C	.	.	H	α-helix	trans	-76.5	-37.3	171.6	-66.6	-175.1	113	0	0	111.8	T65 L82 D83 A84 Y88 S89 A90 R137 W138	T65-E86 WeakPolarHBondContact CB-OE1 3.41Å; T65-E86 PolarHBondContact OG1-OE1 3.12Å; L82-E86 HydrophobicContact CB-CB 4.01Å; L82-E86 HydrophobicContact CD1-CB 4.37Å; L82-E86 HydrophobicContact CD2-CB 4.48Å; D83-E86 WeakPolarHBondContact O-CA 2.93Å; D83-E86 WeakPolarHBondContact O-CB 2.83Å; D83-E86 PolarHBondContact O-N 3.1Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 3.39Å; E86-Y88 PolarHBondContact O-N 3.15Å; E86-S89 PolarHBondContact O-N 2.94Å; E86-A90 VanDerWaalsContact O-CB 3.29Å; E86-A90 WeakPolarHBondContact O-CB 3.12Å; E86-A90 PolarHBondContact O-N 3.23Å; E86-R137 HydrophobicContact CG-CB 4.2Å; E86-W138 PolarHBondContact OE2-NE1 3.41Å
87	V	95.4	Very high	94.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-55.8	-44.2	170.7	174	0	0	0	0	109.8	L82 D83 A84 A90 V91 L98 V277 M342	L82-V87 HydrophobicContact CB-CG2 3.75Å; D83-V87 WeakPolarHBondContact O-CG2 3.44Å; D83-V87 PolarHBondContact O-N 3.12Å; A84-V87 WeakPolarHBondContact O-CB 3.21Å; A84-V87 PolarHBondContact O-N 3.32Å; V87-A90 WeakPolarHBondContact O-CB 3.46Å; V87-A90 PolarHBondContact O-N 2.84Å; V87-V91 HydrophobicContact CG1-CG2 4.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.25Å; V87-V91 PolarHBondContact O-N 2.6Å; V87-L98 HydrophobicContact CG1-CB 4.1Å; V87-L98 HydrophobicContact CG1-CD1 3.73Å; V87-L98 HydrophobicContact CG1-CD2 4Å; V87-L98 HydrophobicContact CG1-CG 4.13Å; V87-L98 HydrophobicContact CG2-CD1 4.47Å; V87-V277 HydrophobicContact CB-CG1 4.23Å; V87-V277 HydrophobicContact CG1-CG1 3.69Å; V87-V277 HydrophobicContact CG2-CG1 4.12Å; V87-M342 HydrophobicContact CB-CE 3.53Å; V87-M342 HydrophobicContact CG1-CE 3.21Å
88	Y	93.9	Very high	94.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-50.5	-179	-174.6	-98.7	0	0	0	111.1	A84 E86 A90 V91 K92 V338 M342 V347 L350 K351 H355 E356	A84-Y88 PolarHBondContact O-N 3.37Å; E86-Y88 PolarHBondContact O-N 3.15Å; Y88-A90 VanDerWaalsContact C-N 3.31Å; Y88-A90 PolarHBondContact O-N 3.11Å; Y88-V91 PolarHBondContact O-N 3.28Å; Y88-K92 HydrophobicContact CD1-CG 4.23Å; Y88-K92 HydrophobicContact CD2-CG 4.31Å; Y88-K92 HydrophobicContact CE1-CB 4.47Å; Y88-K92 HydrophobicContact CE1-CG 3.82Å; Y88-K92 HydrophobicContact CE2-CG 3.91Å; Y88-K92 HydrophobicContact CG-CG 4.45Å; Y88-K92 WeakPolarHBondContact O-CB 3.38Å; Y88-K92 WeakPolarHBondContact O-CG 3.13Å; Y88-K92 PolarHBondContact O-N 2.96Å; Y88-V338 HydrophobicContact CD2-CG2 4.41Å; Y88-V338 HydrophobicContact CE2-CG1 4.35Å; Y88-M342 HydrophobicContact CD2-SD 3.71Å; Y88-M342 HydrophobicContact CG-SD 4.27Å; Y88-V347 HydrophobicContact CD2-CG2 4.05Å; Y88-V347 HydrophobicContact CE2-CB 4.12Å; Y88-V347 HydrophobicContact CE2-CG1 3.66Å; Y88-V347 HydrophobicContact CE2-CG2 3.7Å; Y88-L350 HydrophobicContact CD1-CB 3.84Å; Y88-L350 HydrophobicContact CD1-CD1 3.78Å; Y88-L350 HydrophobicContact CD2-CD1 4.04Å; Y88-L350 HydrophobicContact CE1-CB 4.04Å; Y88-L350 HydrophobicContact CG-CB 4.26Å; Y88-L350 HydrophobicContact CG-CD1 3.42Å; Y88-L350 VanDerWaalsContact CG-CD1 3.42Å; Y88-K351 HydrophobicContact CE1-CG 4.35Å; Y88-K351 VanDerWaalsContact OH-CE 3.31Å; Y88-K351 WeakPolarHBondContact OH-CE 3.35Å; Y88-K351 WeakPolarHBondContact OH-CG 3.3Å; Y88-H355 HydrophobicContact CD1-CB 3.96Å; Y88-H355 HydrophobicContact CE1-CB 4.35Å; Y88-E356 HydrophobicContact CE1-CG 3.68Å; Y88-E356 VanDerWaalsContact CZ-OE1 3.3Å; Y88-E356 PolarHBondContact OH-OE1 2.57Å
89	S	91.9	Very high	94	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-58.9	-41.7	174.9	-66.7	0	0	0	0	112	G85 E86 V91 K92 Q93 R137 H355	G85-S89 PolarHBondContact O-N 3.14Å; E86-S89 PolarHBondContact O-N 2.94Å; S89-V91 VanDerWaalsContact C-N 3.34Å; S89-V91 PolarHBondContact O-N 3.01Å; S89-K92 PolarHBondContact O-N 2.78Å; S89-Q93 VanDerWaalsContact O-CB 3.28Å; S89-Q93 WeakPolarHBondContact O-CB 3.47Å; S89-Q93 PolarHBondContact O-N 2.76Å; S89-R137 PolarHBondContact OG-NH1 2.05Å; S89-H355 PolarHBondContact OG-O 3.23Å
90	A	94.3	Very high	94	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-40.5	177.6	0	0	0	0	0	112.5	I69 L82 E86 V87 Y88 F94 D95 L96 V277	I69-A90 HydrophobicContact CD1-CB 3.99Å; I69-A90 HydrophobicContact CG1-CB 4.16Å; I69-A90 HydrophobicContact CG2-CB 4.31Å; L82-A90 HydrophobicContact CD1-CB 4.08Å; E86-A90 VanDerWaalsContact O-CB 3.29Å; E86-A90 WeakPolarHBondContact O-CB 3.12Å; E86-A90 PolarHBondContact O-N 3.23Å; V87-A90 WeakPolarHBondContact O-CB 3.46Å; V87-A90 PolarHBondContact O-N 2.84Å; Y88-A90 VanDerWaalsContact C-N 3.31Å; Y88-A90 PolarHBondContact O-N 3.11Å; A90-F94 CarbonylContact O-C 3.32Å; A90-F94 WeakPolarHBondContact O-CA 3.26Å; A90-F94 WeakPolarHBondContact O-CB 3.45Å; A90-F94 PolarHBondContact O-N 3.35Å; A90-D95 PolarHBondContact O-N 3.09Å; A90-L96 HydrophobicContact CB-CD1 4.24Å; A90-L96 WeakPolarHBondContact O-CB 2.97Å; A90-L96 PolarHBondContact O-N 3.05Å; A90-V277 HydrophobicContact CB-CG1 4.35Å; A90-V277 HydrophobicContact CB-CG2 4.32Å
91	V	93.4	Very high	93.8	Very high	27 Å²	27	20.9 Å²	20.9	16%	0.164	11%	0.107	C	C	.	.	H	α-helix	trans	-71.7	-49.9	177.6	173	0	0	0	0	110.8	V87 Y88 S89 D95 L96 V338	V87-V91 HydrophobicContact CG1-CG2 4.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.25Å; V87-V91 PolarHBondContact O-N 2.6Å; Y88-V91 PolarHBondContact O-N 3.28Å; S89-V91 VanDerWaalsContact C-N 3.34Å; S89-V91 PolarHBondContact O-N 3.01Å; V91-D95 WeakPolarHBondContact O-CA 3.22Å; V91-D95 PolarHBondContact O-N 2.96Å; V91-L96 WeakPolarHBondContact CA-O 3.45Å; V91-L96 WeakPolarHBondContact CG2-O 3.03Å; V91-V338 HydrophobicContact CB-CG2 4.42Å; V91-V338 HydrophobicContact CG1-CB 4.1Å; V91-V338 HydrophobicContact CG1-CG1 4.14Å; V91-V338 HydrophobicContact CG1-CG2 4.33Å; V91-V338 HydrophobicContact CG2-CG2 4.32Å
92	K	90.9	Very high	93.6	Very high	86 Å²	86	20.1 Å²	20.1	37%	0.374	10%	0.1	S	C	.	.	H	α-helix	trans	-77.8	-41.3	-171.5	-66.1	-62.7	-167.2	-175	0	114	Y88 S89 V338 E356	Y88-K92 HydrophobicContact CD1-CG 4.23Å; Y88-K92 HydrophobicContact CD2-CG 4.31Å; Y88-K92 HydrophobicContact CE1-CB 4.47Å; Y88-K92 HydrophobicContact CE1-CG 3.82Å; Y88-K92 HydrophobicContact CE2-CG 3.91Å; Y88-K92 HydrophobicContact CG-CG 4.45Å; Y88-K92 WeakPolarHBondContact O-CB 3.38Å; Y88-K92 WeakPolarHBondContact O-CG 3.13Å; Y88-K92 PolarHBondContact O-N 2.96Å; S89-K92 PolarHBondContact O-N 2.78Å; K92-V338 HydrophobicContact CD-CG1 4.49Å; K92-E356 HydrophobicContact CB-CG 4.12Å; K92-E356 WeakPolarHBondContact CD-OE1 3.43Å; K92-E356 HydrophobicContact CG-CG 4.38Å; K92-E356 WeakPolarHBondContact CG-OE1 3.29Å
93	Q	89.9	Confident	93.5	Very high	75 Å²	75	20.1 Å²	20.1	35%	0.35	10%	0.1	S	C	.	.	H	α-helix	trans	-91.9	-30	-177.2	-57	-173.1	3.1	0	0	112.9	S89 H355	S89-Q93 VanDerWaalsContact O-CB 3.28Å; S89-Q93 WeakPolarHBondContact O-CB 3.47Å; S89-Q93 PolarHBondContact O-N 2.76Å; Q93-H355 VanDerWaalsContact NE2-C 3.34Å; Q93-H355 PolarHBondContact NE2-O 2.87Å
94	F	91.1	Very high	93.3	Very high	52 Å²	52	20.1 Å²	20.1	23%	0.228	10%	0.099	C	C	.	.	H	α-helix	trans	-112.8	1.8	-172.8	-58.9	-94.4	0	0	0	113.5	I69 D70 K73 A90 L96	I69-F94 HydrophobicContact CG2-CB 3.8Å; I69-F94 HydrophobicContact CG2-CD1 3.76Å; I69-F94 HydrophobicContact CG2-CD2 3.54Å; I69-F94 HydrophobicContact CG2-CE1 4.19Å; I69-F94 HydrophobicContact CG2-CE2 4Å; I69-F94 HydrophobicContact CG2-CG 3.41Å; I69-F94 VanDerWaalsContact CG2-CG 3.41Å; I69-F94 HydrophobicContact CG2-CZ 4.3Å; D70-F94 VanDerWaalsContact OD1-CE1 3.27Å; D70-F94 WeakPolarHBondContact OD1-CE1 3.06Å; K73-F94 VanDerWaalsContact CD-O 3.28Å; K73-F94 WeakPolarHBondContact CD-O 3.46Å; K73-F94 VanDerWaalsContact CE-O 3.24Å; K73-F94 WeakPolarHBondContact CE-O 3.49Å; K73-F94 PolarHBondContact NZ-O 3.46Å; A90-F94 CarbonylContact O-C 3.32Å; A90-F94 WeakPolarHBondContact O-CA 3.26Å; A90-F94 WeakPolarHBondContact O-CB 3.45Å; A90-F94 PolarHBondContact O-N 3.35Å; F94-L96 HydrophobicContact CB-CG 4.15Å; F94-L96 PolarHBondContact O-N 2.98Å
95	D	91.8	Very high	92.9	Very high	95 Å²	95	24.5 Å²	24.5	51%	0.508	14%	0.136	S	C	.	.			trans	54.4	45.4	176.3	169.1	65.7	0	0	0	110.8	K73 A90 V91 H280	K73-D95 IonicContact NZ-OD2 2.85Å; K73-D95 PolarHBondContact NZ-OD2 3.44Å; K73-D95 VanDerWaalsContact NZ-OD2 3.12Å; A90-D95 PolarHBondContact O-N 3.09Å; V91-D95 WeakPolarHBondContact O-CA 3.22Å; V91-D95 PolarHBondContact O-N 2.96Å; D95-H280 IonicContact OD1-CD2 3.95Å; D95-H280 IonicContact OD1-NE2 3.23Å; D95-H280 PolarHBondContact OD1-NE2 3.08Å
96	L	94.8	Very high	92.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.154	C	C	.	.			trans	-96	167.9	169	-58.3	-168.1	0	0	0	110.1	I69 I72 A90 V91 F94 V277 T278 R279	I69-L96 HydrophobicContact CG2-CD1 4.07Å; I72-L96 HydrophobicContact CB-CD1 4.26Å; I72-L96 HydrophobicContact CG2-CD1 3.88Å; I72-L96 HydrophobicContact CG2-CD2 3.82Å; A90-L96 HydrophobicContact CB-CD1 4.24Å; A90-L96 WeakPolarHBondContact O-CB 2.97Å; A90-L96 PolarHBondContact O-N 3.05Å; V91-L96 WeakPolarHBondContact CA-O 3.45Å; V91-L96 WeakPolarHBondContact CG2-O 3.03Å; F94-L96 HydrophobicContact CB-CG 4.15Å; F94-L96 PolarHBondContact O-N 2.98Å; L96-V277 HydrophobicContact CB-CB 4.39Å; L96-V277 HydrophobicContact CD1-CB 4.5Å; L96-V277 HydrophobicContact CD1-CG2 4.1Å; L96-T278 CarbonylContact C-O 3.56Å; L96-T278 WeakPolarHBondContact CA-O 3.04Å; L96-T278 WeakPolarHBondContact CB-O 3.46Å; L96-R279 HydrophobicContact CD2-CG 3.85Å
97	V	94.5	Very high	92	Very high	13 Å²	13	28.2 Å²	28.2	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.8	177.8	-64.6	0	0	0	0	111.8	V99 V277 T278 H280 R283	V97-V99 HydrophobicContact CG2-CG1 4.22Å; V97-V277 CarbonylContact O-C 3.52Å; V97-V277 VanDerWaalsContact O-CA 3.27Å; V97-V277 WeakPolarHBondContact O-CA 3.42Å; V97-T278 HydrophobicContact CG2-CG2 3.83Å; V97-T278 WeakPolarHBondContact CG2-O 3.37Å; V97-T278 PolarHBondContact N-O 3.48Å; V97-T278 PolarHBondContact O-N 3.21Å; V97-H280 WeakPolarHBondContact CG1-CE1 3.13Å; V97-H280 VanDerWaalsContact CG1-ND1 3.27Å; V97-H280 WeakPolarHBondContact CG1-ND1 3.5Å; V97-H280 VanDerWaalsContact CG1-NE2 3.28Å; V97-H280 WeakPolarHBondContact CG1-NE2 3.07Å; V97-R283 HydrophobicContact CG2-CB 4.17Å; V97-R283 HydrophobicContact CG2-CG 4.25Å
98	L	94.4	Very high	91.5	Very high	17 Å²	17	28.3 Å²	28.3	9%	0.089	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.7	169.2	-179.6	58	0	0	0	110	V87 A100 M276 L332 V341 M342	V87-L98 HydrophobicContact CG1-CB 4.1Å; V87-L98 HydrophobicContact CG1-CD1 3.73Å; V87-L98 HydrophobicContact CG1-CD2 4Å; V87-L98 HydrophobicContact CG1-CG 4.13Å; V87-L98 HydrophobicContact CG2-CD1 4.47Å; L98-A100 VanDerWaalsContact CD1-O 3.26Å; L98-A100 WeakPolarHBondContact CD1-O 3.28Å; L98-M276 CarbonylContact C-O 3.53Å; L98-M276 WeakPolarHBondContact CA-O 3.4Å; L98-M276 VanDerWaalsContact CD1-O 3.27Å; L98-M276 WeakPolarHBondContact CD1-O 3.28Å; L98-L332 HydrophobicContact CB-CD1 4.35Å; L98-L332 HydrophobicContact CD2-CD1 3.82Å; L98-L332 HydrophobicContact CG-CD1 3.57Å; L98-V341 HydrophobicContact CD2-CB 4.21Å; L98-V341 HydrophobicContact CD2-CG1 3.45Å; L98-V341 VanDerWaalsContact CD2-CG1 3.45Å; L98-M342 HydrophobicContact CD2-CE 4.43Å
99	V	94.9	Very high	91.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-25.7	-175.7	-64.1	0	0	0	0	114.6	V97 M276 T278 R283 V286 R287 L332	V97-V99 HydrophobicContact CG2-CG1 4.22Å; V99-M276 HydrophobicContact CG2-CB 3.81Å; V99-M276 WeakPolarHBondContact CG2-O 3.4Å; V99-M276 PolarHBondContact N-O 3.05Å; V99-T278 HydrophobicContact CG1-CG2 3.44Å; V99-T278 VanDerWaalsContact CG1-CG2 3.44Å; V99-T278 HydrophobicContact CG2-CG2 4.46Å; V99-R283 HydrophobicContact CG1-CG 3.93Å; V99-V286 HydrophobicContact CG2-CG1 3.78Å; V99-R287 HydrophobicContact CB-CG 4.26Å; V99-L332 PolarHBondContact O-N 3.36Å
100	A	94.3	Very high	91.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152.8	176.5	0	0	0	0	0	110.8	L98 G275 M276 I290 V330 V331	L98-A100 VanDerWaalsContact CD1-O 3.26Å; L98-A100 WeakPolarHBondContact CD1-O 3.28Å; A100-G275 CarbonylContact O-C 3.57Å; A100-G275 VanDerWaalsContact O-CA 3.22Å; A100-G275 WeakPolarHBondContact O-CA 3.45Å; A100-M276 HydrophobicContact CB-CB 4.32Å; A100-M276 HydrophobicContact CB-CG 4.25Å; A100-M276 HydrophobicContact CB-SD 4.23Å; A100-M276 PolarHBondContact O-N 3.31Å; A100-I290 HydrophobicContact CB-CG2 4.3Å; A100-V330 CarbonylContact C-O 3.53Å; A100-V330 WeakPolarHBondContact CA-O 3.45Å; A100-V330 WeakPolarHBondContact CB-O 3.15Å; A100-V331 HydrophobicContact CB-CG2 4.48Å
101	K	93	Very high	91.4	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150	171	-65.2	-176.6	81	174.8	0	110.8	L329 V330 L332 V341	K101-L329 CarbonylContact O-C 3.59Å; K101-L329 VanDerWaalsContact O-CA 3.24Å; K101-L329 WeakPolarHBondContact O-CA 3.24Å; K101-V330 PolarHBondContact N-O 3.4Å; K101-V330 PolarHBondContact O-N 3.04Å; K101-L332 HydrophobicContact CD-CD2 4.4Å; K101-L332 HydrophobicContact CG-CD1 4.44Å; K101-L332 HydrophobicContact CG-CD2 4.31Å; K101-V341 HydrophobicContact CD-CG1 3.58Å; K101-V341 HydrophobicContact CG-CG1 4.06Å; K101-V341 PolarHBondContact NZ-O 3.31Å
102	E	93.8	Very high	91.6	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.3	163.6	-62.5	-172.1	133.9	0	0	110.5	Y104 G274 F322 R323 T326 L329	E102-Y104 HydrophobicContact CB-CE1 3.96Å; E102-Y104 PolarHBondContact OE2-OH 3.47Å; E102-G274 PolarHBondContact N-O 3.05Å; E102-F322 HydrophobicContact CG-CD1 4.37Å; E102-F322 WeakPolarHBondContact OE1-CA 3.45Å; E102-F322 WeakPolarHBondContact OE1-CB 3.27Å; E102-F322 WeakPolarHBondContact OE1-CD1 3.39Å; E102-R323 PolarHBondContact OE1-N 3.21Å; E102-R323 WeakPolarHBondContact OE2-CD 3.16Å; E102-R323 WeakPolarHBondContact OE2-CG 3.06Å; E102-R323 IonicContact OE2-NE 3.14Å; E102-T326 HydrophobicContact CB-CG2 4.03Å; E102-T326 HydrophobicContact CG-CG2 4.08Å; E102-T326 PolarHBondContact OE1-OG1 2.77Å; E102-L329 HydrophobicContact CG-CD2 3.88Å
103	V	92.9	Very high	92	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.055	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.4	171.2	178.7	0	0	0	0	108.1	A108 D327 K328 V330	V103-A108 HydrophobicContact CG2-CB 4.12Å; V103-D327 PolarHBondContact O-N 2.86Å; V103-K328 HydrophobicContact CB-CG 3.87Å; V103-K328 HydrophobicContact CG1-CG 4.31Å; V103-K328 PolarHBondContact N-O 3.49Å; V103-K328 PolarHBondContact O-N 2.94Å; V103-V330 HydrophobicContact CG2-CB 4.34Å; V103-V330 HydrophobicContact CG2-CG2 3.54Å
104	Y	91.7	Very high	92.4	Very high	6 Å²	6	20.6 Å²	20.6	2%	0.024	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-105.1	177.3	-178.2	-43.7	-69	0	0	0	109.9	E102 D106 G107 V110 L235 G273 G274 R323 A325	E102-Y104 HydrophobicContact CB-CE1 3.96Å; E102-Y104 PolarHBondContact OE2-OH 3.47Å; Y104-D106 PolarHBondContact O-N 3.1Å; Y104-G107 PolarHBondContact N-O 2.8Å; Y104-G107 PolarHBondContact O-N 2.95Å; Y104-G107 VanDerWaalsContact O-N 3.1Å; Y104-V110 HydrophobicContact CD2-CG1 4.03Å; Y104-V110 HydrophobicContact CE2-CG1 3.51Å; Y104-L235 HydrophobicContact CD1-CD1 3.58Å; Y104-L235 HydrophobicContact CD2-CD1 3.87Å; Y104-L235 HydrophobicContact CE1-CD1 3.85Å; Y104-L235 HydrophobicContact CE2-CD1 4.1Å; Y104-L235 HydrophobicContact CG-CD1 3.61Å; Y104-G273 WeakPolarHBondContact OH-CA 3.02Å; Y104-G274 PolarHBondContact OH-N 3.25Å; Y104-G274 VanDerWaalsContact OH-N 3.16Å; Y104-R323 HydrophobicContact CE1-CB 4.31Å; Y104-R323 WeakPolarHBondContact OH-CD 3.43Å; Y104-A325 HydrophobicContact CD1-CB 4.31Å
105	A	86	Confident	92.7	Very high	95 Å²	95	18.1 Å²	18.1	79%	0.785	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.2	-178.5	0	0	0	0	0	113.1
106	D	81.8	Confident	92.9	Very high	73 Å²	73	13.7 Å²	13.7	39%	0.39	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	10.3	-178.4	-68.2	-16.4	0	0	0	114	Y104 R264	Y104-D106 PolarHBondContact O-N 3.1Å; D106-R264 VanDerWaalsContact CG-NH2 3.27Å; D106-R264 IonicContact OD1-NH2 2.92Å; D106-R264 PolarHBondContact OD1-NH2 2.59Å; D106-R264 IonicContact OD2-CZ 2.88Å; D106-R264 VanDerWaalsContact OD2-CZ 3.23Å; D106-R264 IonicContact OD2-NH1 2.71Å; D106-R264 PolarHBondContact OD2-NH1 3.41Å; D106-R264 IonicContact OD2-NH2 3.78Å; D106-R264 PolarHBondContact OD2-NH2 3Å
107	G	86.5	Confident	92.8	Very high	21 Å²	21	15.5 Å²	15.5	22%	0.216	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	112.5	-162.9	-179.6	0	0	0	0	0	114.1	Y104 C109	Y104-G107 PolarHBondContact N-O 2.8Å; Y104-G107 PolarHBondContact O-N 2.95Å; Y104-G107 VanDerWaalsContact O-N 3.1Å; G107-C109 VanDerWaalsContact C-N 3.32Å; G107-C109 PolarHBondContact O-N 3.35Å
108	A	85.9	Confident	92.3	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.025	12%	0.123	C	C	.	.	S	Bend	trans	-89.2	9.1	-170.1	0	0	0	0	0	114.5	V103 G273 C725	V103-A108 HydrophobicContact CG2-CB 4.12Å; A108-G273 PolarHBondContact O-N 3.11Å; A108-C725 PolarHBondContact N-O 3.23Å
109	C	90.2	Very high	91.8	Very high	11 Å²	11	26.2 Å²	26.2	7%	0.074	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.3	-175	-76.5	0	0	0	0	113.2	G107 R270 G271 C725	G107-C109 VanDerWaalsContact C-N 3.32Å; G107-C109 PolarHBondContact O-N 3.35Å; C109-R270 HydrophobicContact CB-CG 4.04Å; C109-G271 CarbonylContact C-O 3.59Å; C109-G271 WeakPolarHBondContact CA-O 3.02Å; C109-G271 WeakPolarHBondContact CB-O 3.18Å; C109-G271 PolarHBondContact SG-O 3.32Å; C109-G271 VanDerWaalsContact SG-O 3.36Å; C109-C725 HydrophobicContact CB-CB 3.43Å; C109-C725 VanDerWaalsContact CB-CB 3.43Å; C109-C725 WeakPolarHBondContact CB-SG 3.32Å; C109-C725 WeakPolarHBondContact SG-CA 3.05Å; C109-C725 WeakPolarHBondContact SG-CB 3.46Å; C109-C725 CovalentContact SG-SG 1.99Å; C109-C725 PolarHBondContact SG-SG 2.85Å
110	V	93.4	Very high	91.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.1	176.9	-61	0	0	0	0	110.3	Y104 T139 A140 D233 L235 R270 G271	Y104-V110 HydrophobicContact CD2-CG1 4.03Å; Y104-V110 HydrophobicContact CE2-CG1 3.51Å; V110-T139 HydrophobicContact CG2-CG2 4Å; V110-A140 HydrophobicContact CG2-CB 4.34Å; V110-D233 HydrophobicContact CB-CB 3.95Å; V110-D233 HydrophobicContact CG1-CB 4.42Å; V110-D233 HydrophobicContact CG2-CB 4.39Å; V110-L235 HydrophobicContact CG1-CD1 3.91Å; V110-R270 WeakPolarHBondContact O-CA 2.94Å; V110-G271 PolarHBondContact N-O 2.95Å; V110-G271 PolarHBondContact O-N 2.81Å
111	L	95.3	Very high	91	Very high	18 Å²	18	34.1 Å²	34.1	9%	0.094	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.2	170.8	-60.9	169	0	0	0	109.2	D233 H234 Y263 N267 G269 R270	L111-D233 CarbonylContact O-C 3.25Å; L111-D233 VanDerWaalsContact O-CA 3.25Å; L111-D233 WeakPolarHBondContact O-CA 3.28Å; L111-H234 HydrophobicContact CB-CB 4.18Å; L111-H234 PolarHBondContact N-ND1 2.79Å; L111-H234 VanDerWaalsContact N-ND1 3.15Å; L111-H234 PolarHBondContact O-N 3.09Å; L111-Y263 HydrophobicContact CD1-CD2 3.75Å; L111-Y263 HydrophobicContact CD1-CE2 4.17Å; L111-N267 HydrophobicContact CB-CB 4.09Å; L111-G269 WeakPolarHBondContact CA-O 3Å; L111-R270 HydrophobicContact CD2-CB 3.77Å; L111-R270 HydrophobicContact CD2-CG 3.8Å
112	S	97.3	Very high	90.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.4	172.2	177.3	0	0	0	0	110.1	A140 P145 N267 L268 G269	S112-A140 PolarHBondContact OG-O 3.01Å; S112-P145 WeakPolarHBondContact OG-CD 3.35Å; S112-P145 WeakPolarHBondContact OG-CG 3.31Å; S112-N267 CarbonylContact O-C 3.58Å; S112-N267 WeakPolarHBondContact O-CA 3.31Å; S112-N267 VanDerWaalsContact O-CB 3.27Å; S112-N267 WeakPolarHBondContact O-CB 3.48Å; S112-L268 PolarHBondContact O-N 2.9Å; S112-G269 PolarHBondContact N-O 2.94Å
113	V	98	Very high	90.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.2	179.2	-65.2	0	0	0	0	110.6	V115 V232 H234 L237 L250 N267	V113-V115 HydrophobicContact CG2-CG2 4.09Å; V113-V232 HydrophobicContact CG2-CG2 3.84Å; V113-V232 WeakPolarHBondContact CG2-O 3.19Å; V113-V232 PolarHBondContact N-O 3.22Å; V113-V232 PolarHBondContact O-N 3.35Å; V113-V232 VanDerWaalsContact O-N 3.14Å; V113-H234 HydrophobicContact CG1-CB 4.37Å; V113-L237 HydrophobicContact CG2-CD1 4.43Å; V113-L237 HydrophobicContact CG2-CD2 4.39Å; V113-L250 HydrophobicContact CB-CD2 4.06Å; V113-L250 HydrophobicContact CG1-CD2 4.45Å; V113-L250 HydrophobicContact CG2-CD2 4.45Å; V113-N267 HydrophobicContact CG1-CB 4.15Å
114	A	98	Very high	90.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.8	169.8	0	0	0	0	0	109	V229 F231 L250 L251 L268	A114-V229 HydrophobicContact CB-CG2 4.02Å; A114-F231 HydrophobicContact CB-CD1 3.94Å; A114-F231 HydrophobicContact CB-CE1 3.79Å; A114-L250 CarbonylContact O-C 3.26Å; A114-L250 WeakPolarHBondContact O-CA 3.39Å; A114-L251 HydrophobicContact CB-CB 4.02Å; A114-L251 PolarHBondContact O-N 2.97Å; A114-L268 HydrophobicContact CB-CD1 3.9Å; A114-L268 HydrophobicContact CB-CG 4.49Å
115	V	97.4	Very high	90.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.7	-179.9	-172.5	0	0	0	0	109.2	V113 L219 L222 V229 A230 V232 L237 F248 R249 L250 L260	V113-V115 HydrophobicContact CG2-CG2 4.09Å; V115-L219 HydrophobicContact CB-CD2 4.25Å; V115-L219 HydrophobicContact CG1-CD2 4.28Å; V115-L219 HydrophobicContact CG2-CD2 4.2Å; V115-L222 HydrophobicContact CB-CD2 4.14Å; V115-L222 HydrophobicContact CG1-CD2 3.83Å; V115-L222 WeakPolarHBondContact O-CD2 3.43Å; V115-V229 WeakPolarHBondContact O-CA 3.47Å; V115-A230 PolarHBondContact N-O 2.88Å; V115-A230 PolarHBondContact O-N 2.84Å; V115-V232 HydrophobicContact CG2-CG2 3.96Å; V115-L237 HydrophobicContact CG2-CD2 3.84Å; V115-F248 HydrophobicContact CG1-CB 4.05Å; V115-F248 HydrophobicContact CG1-CD1 4.13Å; V115-F248 HydrophobicContact CG1-CG 4.33Å; V115-R249 WeakPolarHBondContact CA-O 3.23Å; V115-L250 HydrophobicContact CG2-CD2 4.12Å; V115-L260 HydrophobicContact CG1-CD2 4.25Å
116	V	96.3	Very high	91.1	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.8	177.1	-63.8	0	0	0	0	110	L121 V229 F248 R249 L251	V116-L121 HydrophobicContact CG1-CD2 3.91Å; V116-V229 HydrophobicContact CG1-CB 4.06Å; V116-V229 HydrophobicContact CG1-CG2 3.96Å; V116-F248 CarbonylContact O-C 3.57Å; V116-F248 VanDerWaalsContact O-CA 3.28Å; V116-F248 WeakPolarHBondContact O-CA 3.27Å; V116-R249 HydrophobicContact CG2-CB 4.02Å; V116-R249 PolarHBondContact N-O 3.46Å; V116-R249 PolarHBondContact O-N 2.82Å; V116-L251 HydrophobicContact CG1-CD1 3.65Å; V116-L251 HydrophobicContact CG1-CD2 4.07Å; V116-L251 HydrophobicContact CG1-CG 3.6Å; V116-L251 HydrophobicContact CG2-CD2 3.83Å; V116-L251 HydrophobicContact CG2-CG 4.05Å
117	T	93.3	Very high	91.8	Very high	40 Å²	40	42.8 Å²	42.8	25%	0.245	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	157.9	164.4	57.9	0	0	0	0	109.6	R119 L222 S247 F248	T117-R119 PolarHBondContact O-N 2.81Å; T117-L222 HydrophobicContact CG2-CD1 4.23Å; T117-L222 HydrophobicContact CG2-CG 4.35Å; T117-S247 CarbonylContact C-O 3.33Å; T117-S247 WeakPolarHBondContact CA-O 3.25Å; T117-F248 HydrophobicContact CG2-CE1 4.25Å
118	N	83.8	Confident	92.2	Very high	90 Å²	90	43.8 Å²	43.8	48%	0.481	23%	0.234	S	C	.	.	S	Bend	trans	-66.6	71.7	-179.9	-167.6	10.1	0	0	0	111.9	D246 S247 R249	N118-D246 PolarHBondContact ND2-O 3.12Å; N118-S247 PolarHBondContact N-O 3.33Å; N118-R249 HydrophobicContact CB-CG 4.43Å; N118-R249 PolarHBondContact OD1-NE 2.74Å
119	R	83.5	Confident	92.7	Very high	165 Å²	165	45.5 Å²	45.5	62%	0.623	24%	0.242	S	C	*	.	S	Bend	trans	-129.7	144.8	177.9	-70.2	-176.2	174.8	-179.3	-1	107.4	T117 L121 Q257	T117-R119 PolarHBondContact O-N 2.81Å; R119-L121 PolarHBondContact O-N 3.12Å; R119-Q257 PolarHBondContact O-NE2 3.09Å; R119-Q257 PolarHBondContact O-OE1 3.13Å
120	S	83.3	Confident	93	Very high	133 Å²	133	48.7 Å²	48.7	93%	0.93	25%	0.253	S	S	*	.			trans	-66.5	103.6	173.5	-175	0	0	0	0	109.4
121	L	90.6	Very high	93.3	Very high	34 Å²	34	48.7 Å²	48.7	18%	0.178	25%	0.253	C	S	.	.			trans	-138.9	143.3	179	-170.3	65.5	0	0	0	109.4	V116 R119 L126 L129 L251 Q257	V116-L121 HydrophobicContact CG1-CD2 3.91Å; R119-L121 PolarHBondContact O-N 3.12Å; L121-L126 HydrophobicContact CD2-CD2 4.11Å; L121-L129 HydrophobicContact CD1-CD1 3.62Å; L121-L129 HydrophobicContact CD2-CD1 3.69Å; L121-L129 HydrophobicContact CG-CD1 4.22Å; L121-L251 HydrophobicContact CB-CD2 4.24Å; L121-L251 HydrophobicContact CD2-CD1 4.13Å; L121-L251 HydrophobicContact CG-CD1 4.41Å; L121-L251 WeakPolarHBondContact O-CD2 3.45Å; L121-Q257 PolarHBondContact O-NE2 3.04Å
122	D	90.9	Very high	93.4	Very high	36 Å²	36	47.9 Å²	47.9	19%	0.193	25%	0.249	C	C	.	.			trans	-112.9	142.8	179.7	-166.1	-44.9	0	0	0	109.5	R124 S125 G255	D122-R124 VanDerWaalsContact CG-NE 3.31Å; D122-R124 PolarHBondContact O-N 2.89Å; D122-R124 VanDerWaalsContact OD1-CB 3.31Å; D122-R124 WeakPolarHBondContact OD1-CB 3.4Å; D122-R124 WeakPolarHBondContact OD1-CG 3.27Å; D122-R124 IonicContact OD1-CZ 3.12Å; D122-R124 PolarHBondContact OD1-N 3.45Å; D122-R124 IonicContact OD1-NE 3.2Å; D122-R124 PolarHBondContact OD1-NE 2.71Å; D122-R124 IonicContact OD1-NH2 2.68Å; D122-R124 IonicContact OD2-CZ 3.48Å; D122-R124 IonicContact OD2-NE 3.35Å; D122-R124 PolarHBondContact OD2-NE 2.86Å; D122-R124 IonicContact OD2-NH2 2.7Å; D122-R124 PolarHBondContact OD2-NH2 3.35Å; D122-S125 PolarHBondContact N-OG 3.49Å; D122-S125 PolarHBondContact O-N 3.46Å; D122-S125 PolarHBondContact O-OG 3.11Å; D122-G255 VanDerWaalsContact OD1-CA 3.24Å; D122-G255 WeakPolarHBondContact OD1-CA 3.05Å
123	V	91.9	Very high	93.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.8	175	78.3	0	0	0	0	112.2	S125 L126 F148 Y154 L251 C252 L268	V123-S125 VanDerWaalsContact C-N 3.32Å; V123-L126 HydrophobicContact CG2-CD1 3.96Å; V123-L126 WeakPolarHBondContact O-CD1 3.44Å; V123-L126 VanDerWaalsContact O-CG 3.3Å; V123-L126 WeakPolarHBondContact O-CG 3.37Å; V123-F148 HydrophobicContact CG1-CE1 4.31Å; V123-F148 HydrophobicContact CG1-CZ 4.34Å; V123-F148 HydrophobicContact CG2-CE1 3.66Å; V123-F148 HydrophobicContact CG2-CZ 4.36Å; V123-Y154 HydrophobicContact CG1-CE2 4.22Å; V123-L251 HydrophobicContact CB-CB 4.35Å; V123-C252 WeakPolarHBondContact CG1-O 3.24Å; V123-L268 HydrophobicContact CG2-CD2 4.34Å
124	R	90.7	Very high	93.4	Very high	143 Å²	143	47.9 Å²	47.9	54%	0.54	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-72	-23.2	175.9	-65.6	173.8	-73.7	-168.1	-1.6	113.2	D122 Y154	D122-R124 VanDerWaalsContact CG-NE 3.31Å; D122-R124 PolarHBondContact O-N 2.89Å; D122-R124 VanDerWaalsContact OD1-CB 3.31Å; D122-R124 WeakPolarHBondContact OD1-CB 3.4Å; D122-R124 WeakPolarHBondContact OD1-CG 3.27Å; D122-R124 IonicContact OD1-CZ 3.12Å; D122-R124 PolarHBondContact OD1-N 3.45Å; D122-R124 IonicContact OD1-NE 3.2Å; D122-R124 PolarHBondContact OD1-NE 2.71Å; D122-R124 IonicContact OD1-NH2 2.68Å; D122-R124 IonicContact OD2-CZ 3.48Å; D122-R124 IonicContact OD2-NE 3.35Å; D122-R124 PolarHBondContact OD2-NE 2.86Å; D122-R124 IonicContact OD2-NH2 2.7Å; D122-R124 PolarHBondContact OD2-NH2 3.35Å; R124-Y154 HydrophobicContact CG-CE1 3.98Å; R124-Y154 HydrophobicContact CG-CE2 3.92Å; R124-Y154 WeakPolarHBondContact CG-OH 3.18Å
125	S	91.2	Very high	93.2	Very high	58 Å²	58	47.9 Å²	47.9	41%	0.406	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-104.8	28.3	-173.6	69.4	0	0	0	0	113.1	D122 V123 Q127 L129	D122-S125 PolarHBondContact N-OG 3.49Å; D122-S125 PolarHBondContact O-N 3.46Å; D122-S125 PolarHBondContact O-OG 3.11Å; V123-S125 VanDerWaalsContact C-N 3.32Å; S125-Q127 VanDerWaalsContact C-N 3.32Å; S125-L129 WeakPolarHBondContact O-CD1 3.41Å
126	L	94.8	Very high	93	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.253	C	S	.	.			trans	-77.3	-16.8	-176.3	-69.7	179.5	0	0	0	114.1	L121 V123 G128 L129 L149 F170 F171 V229 F231 L251	L121-L126 HydrophobicContact CD2-CD2 4.11Å; V123-L126 HydrophobicContact CG2-CD1 3.96Å; V123-L126 WeakPolarHBondContact O-CD1 3.44Å; V123-L126 VanDerWaalsContact O-CG 3.3Å; V123-L126 WeakPolarHBondContact O-CG 3.37Å; L126-G128 PolarHBondContact O-N 2.9Å; L126-L129 HydrophobicContact CD2-CD1 3.88Å; L126-L129 WeakPolarHBondContact O-CB 3.43Å; L126-L129 PolarHBondContact O-N 3.43Å; L126-L149 HydrophobicContact CD1-CD2 4.22Å; L126-F170 HydrophobicContact CB-CE1 3.98Å; L126-F170 HydrophobicContact CB-CZ 4Å; L126-F171 HydrophobicContact CB-CE1 4.2Å; L126-V229 HydrophobicContact CD2-CB 4.42Å; L126-V229 HydrophobicContact CD2-CG1 4.24Å; L126-F231 HydrophobicContact CD1-CZ 4.17Å; L126-L251 HydrophobicContact CD2-CD1 3.87Å
127	Q	94.8	Very high	92.9	Very high	142 Å²	142	51.8 Å²	51.8	66%	0.664	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	134.1	178.4	-168.2	175.4	1.5	0	0	110.9	S125 L129 F170	S125-Q127 VanDerWaalsContact C-N 3.32Å; Q127-L129 PolarHBondContact O-N 2.88Å; Q127-F170 HydrophobicContact CB-CD2 4.03Å; Q127-F170 HydrophobicContact CB-CE2 3.54Å; Q127-F170 HydrophobicContact CB-CZ 3.96Å; Q127-F170 HydrophobicContact CG-CD2 3.86Å; Q127-F170 HydrophobicContact CG-CE2 3.88Å
128	G	95.4	Very high	92.9	Very high	42 Å²	42	50.9 Å²	50.9	43%	0.433	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-3.9	-178.5	0	0	0	0	0	114.8	L126 F170 S172	L126-G128 PolarHBondContact O-N 2.9Å; G128-F170 PolarHBondContact N-O 3.29Å; G128-S172 WeakPolarHBondContact O-CB 3.32Å; G128-S172 PolarHBondContact O-OG 3.24Å
129	L	96.6	Very high	93.5	Very high	39 Å²	39	46.6 Å²	46.6	20%	0.204	24%	0.235	C	C	.	.	S	Bend	trans	-81.5	171.2	175.4	-58.2	-176.6	0	0	0	112.3	L121 S125 L126 Q127 F171 S172 D228	L121-L129 HydrophobicContact CD1-CD1 3.62Å; L121-L129 HydrophobicContact CD2-CD1 3.69Å; L121-L129 HydrophobicContact CG-CD1 4.22Å; S125-L129 WeakPolarHBondContact O-CD1 3.41Å; L126-L129 HydrophobicContact CD2-CD1 3.88Å; L126-L129 WeakPolarHBondContact O-CB 3.43Å; L126-L129 PolarHBondContact O-N 3.43Å; Q127-L129 PolarHBondContact O-N 2.88Å; L129-F171 CarbonylContact O-C 3.2Å; L129-F171 WeakPolarHBondContact O-CA 3.24Å; L129-F171 WeakPolarHBondContact O-CB 3.47Å; L129-F171 WeakPolarHBondContact O-CD1 3.22Å; L129-S172 PolarHBondContact O-N 3.29Å; L129-S172 PolarHBondContact O-OG 2.92Å; L129-D228 HydrophobicContact CB-CB 4.36Å
130	R	97.8	Very high	94.1	Very high	78 Å²	78	38.8 Å²	38.8	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132	176.6	-61.6	173.5	-62.2	153.7	4.9	110.8	A173 L189 G225 A226 D228 V229	R130-A173 CarbonylContact C-O 3.53Å; R130-A173 WeakPolarHBondContact CA-O 3.29Å; R130-A173 HydrophobicContact CG-CB 4.4Å; R130-L189 HydrophobicContact CB-CD1 3.86Å; R130-G225 PolarHBondContact NH1-O 3.4Å; R130-G225 PolarHBondContact NH2-O 2.88Å; R130-A226 PolarHBondContact NH1-O 3.33Å; R130-D228 VanDerWaalsContact CB-OD2 3.28Å; R130-D228 WeakPolarHBondContact CB-OD2 3.4Å; R130-D228 IonicContact CZ-OD1 3.64Å; R130-D228 IonicContact CZ-OD2 3.6Å; R130-D228 PolarHBondContact N-OD2 2.81Å; R130-D228 IonicContact NE-OD1 2.7Å; R130-D228 IonicContact NE-OD2 3.61Å; R130-D228 PolarHBondContact NE-OD2 3.49Å; R130-D228 IonicContact NH2-OD1 3.82Å; R130-D228 PolarHBondContact NH2-OD1 3.35Å; R130-D228 IonicContact NH2-OD2 2.76Å; R130-D228 PolarHBondContact O-N 3.45Å; R130-V229 PolarHBondContact O-N 3Å
131	S	97.9	Very high	94.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.2	-174.8	66.5	0	0	0	0	114.6	H133 F171 A173 S174 C175	S131-H133 VanDerWaalsContact CB-NE2 3.34Å; S131-H133 WeakPolarHBondContact CB-NE2 3.46Å; S131-H133 PolarHBondContact OG-CD2 2.03Å; S131-H133 PolarHBondContact OG-NE2 3.44Å; S131-F171 WeakPolarHBondContact OG-CD2 3.34Å; S131-F171 WeakPolarHBondContact OG-CG 3.43Å; S131-A173 PolarHBondContact N-O 3.34Å; S131-S174 CarbonylContact O-C 3.22Å; S131-S174 WeakPolarHBondContact O-CA 3.19Å; S131-S174 VanDerWaalsContact OG-CB 3.26Å; S131-S174 WeakPolarHBondContact OG-CB 3.36Å; S131-S174 PolarHBondContact OG-OG 3.08Å; S131-C175 PolarHBondContact O-N 3.27Å
132	C	98.5	Very high	94.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.1	173.9	-54.4	0	0	0	0	109.2	A218 C221 V229 A230 F231	C132-A218 HydrophobicContact CB-CB 4.35Å; C132-C221 HydrophobicContact CB-CB 3.58Å; C132-C221 WeakPolarHBondContact CB-SG 2.99Å; C132-C221 WeakPolarHBondContact SG-CB 3.27Å; C132-C221 CovalentContact SG-SG 2.04Å; C132-C221 PolarHBondContact SG-SG 3.05Å; C132-V229 PolarHBondContact N-O 2.92Å; C132-A230 HydrophobicContact CB-CB 4.03Å; C132-A230 CarbonylContact O-C 3.57Å; C132-A230 VanDerWaalsContact O-CA 3.31Å; C132-A230 WeakPolarHBondContact O-CA 3.36Å; C132-F231 PolarHBondContact O-N 2.95Å
133	H	98.3	Very high	95.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.2	-177.5	-64.3	-101.5	0	0	0	110.5	S131 G135 G141 W142 C175 V176 P177 F231	S131-H133 VanDerWaalsContact CB-NE2 3.34Å; S131-H133 WeakPolarHBondContact CB-NE2 3.46Å; S131-H133 PolarHBondContact OG-CD2 2.03Å; S131-H133 PolarHBondContact OG-NE2 3.44Å; H133-G135 VanDerWaalsContact C-N 3.27Å; H133-G135 PolarHBondContact O-N 3.06Å; H133-G141 WeakPolarHBondContact CB-O 3.37Å; H133-G141 PolarHBondContact ND1-O 3.12Å; H133-W142 AromaticContact ND1-CE3 3.92Å; H133-C175 PolarHBondContact N-O 2.88Å; H133-V176 HydrophobicContact CB-CB 4.41Å; H133-V176 HydrophobicContact CB-CG1 4.25Å; H133-V176 HydrophobicContact CB-CG2 4.04Å; H133-P177 WeakPolarHBondContact O-CD 3.29Å; H133-F231 AromaticContact CE1-CD2 3.31Å; H133-F231 WeakPolarHBondContact CE1-CD2 3.43Å; H133-F231 AromaticContact CE1-CE2 3.66Å; H133-F231 AromaticContact ND1-CD2 3.61Å; H133-F231 AromaticContact NE2-CD2 3.82Å; H133-F231 AromaticContact NE2-CE2 3.99Å
134	S	95.9	Very high	95.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-61.4	-35.2	179.7	66.3	0	0	0	0	113.2	G141 N214 N215 F231	S134-G141 WeakPolarHBondContact OG-CA 3.44Å; S134-N214 VanDerWaalsContact O-CA 3.28Å; S134-N214 WeakPolarHBondContact O-CA 3.26Å; S134-N214 PolarHBondContact O-N 3.27Å; S134-N215 WeakPolarHBondContact CB-OD1 3.46Å; S134-F231 PolarHBondContact N-O 3.48Å
135	G	95	Very high	95.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.			trans	172	151	179.5	0	0	0	0	0	111.8	H133 W138 W142	H133-G135 VanDerWaalsContact C-N 3.27Å; H133-G135 PolarHBondContact O-N 3.06Å; G135-W138 WeakPolarHBondContact O-CB 3.45Å; G135-W138 PolarHBondContact O-N 3.44Å; G135-W142 WeakPolarHBondContact O-CB 3.25Å
136	A	93.4	Very high	95.6	Very high	10 Å²	10	20.7 Å²	20.7	8%	0.083	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140.6	173.8	0	0	0	0	0	110.3	W138 V176 P177 A179 M182	A136-W138 PolarHBondContact O-N 2.96Å; A136-W138 VanDerWaalsContact O-N 3.13Å; A136-V176 HydrophobicContact CB-CG1 3.97Å; A136-P177 WeakPolarHBondContact CB-O 3.44Å; A136-P177 PolarHBondContact N-O 3.39Å; A136-A179 HydrophobicContact CB-CB 4.28Å; A136-M182 HydrophobicContact CB-SD 3.93Å
137	R	92.6	Very high	95.3	Very high	73 Å²	73	20.9 Å²	20.9	28%	0.275	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	6.2	-178.9	-58.7	-174.5	178.9	-169.4	3.2	115.7	G85 E86 S89 W142 H355	G85-R137 CarbonylContact C-O 3.52Å; G85-R137 VanDerWaalsContact CA-O 3.24Å; G85-R137 WeakPolarHBondContact CA-O 3.45Å; E86-R137 HydrophobicContact CG-CB 4.2Å; S89-R137 PolarHBondContact OG-NH1 2.05Å; R137-W142 VanDerWaalsContact N-CD1 3.29Å; R137-H355 WeakPolarHBondContact CB-CE1 3.45Å
138	W	95.1	Very high	95.1	Very high	22 Å²	22	14.9 Å²	14.9	8%	0.083	8%	0.078	C	C	.	.			trans	-76.2	148.2	176	-76.9	26	0	0	0	112.1	D83 E86 G135 A136 W142 S143 Y213 N214	D83-W138 HydrophobicContact CB-CB 4.39Å; D83-W138 HydrophobicContact CB-CD2 3.98Å; D83-W138 HydrophobicContact CB-CG 3.82Å; D83-W138 WeakPolarHBondContact OD1-CA 3.45Å; E86-W138 PolarHBondContact OE2-NE1 3.41Å; G135-W138 WeakPolarHBondContact O-CB 3.45Å; G135-W138 PolarHBondContact O-N 3.44Å; A136-W138 PolarHBondContact O-N 2.96Å; A136-W138 VanDerWaalsContact O-N 3.13Å; W138-W142 CarbonylContact O-C 3.34Å; W138-W142 WeakPolarHBondContact O-CA 3.06Å; W138-W142 VanDerWaalsContact O-CB 3.3Å; W138-W142 WeakPolarHBondContact O-CB 3.48Å; W138-W142 PolarHBondContact O-N 3.19Å; W138-S143 PolarHBondContact O-N 3.25Å; W138-Y213 HydrophobicContact CH2-CE2 4.38Å; W138-Y213 AromaticContact CZ2-CE2 3.89Å; W138-Y213 HydrophobicContact CZ2-CE2 3.89Å; W138-Y213 AromaticContact CZ2-CZ 3.82Å; W138-Y213 WeakPolarHBondContact CZ2-OH 3.38Å; W138-N214 HydrophobicContact CH2-CB 3.88Å; W138-N214 HydrophobicContact CZ3-CB 4.17Å
139	T	95.3	Very high	94.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-56.6	-61.2	-175.5	-56.6	0	0	0	0	111.6	D83 A84 V110 L144 Y346	D83-T139 WeakPolarHBondContact OD1-CB 3.33Å; D83-T139 PolarHBondContact OD1-N 2.78Å; D83-T139 PolarHBondContact OD1-OG1 3.42Å; A84-T139 WeakPolarHBondContact CB-OG1 3.18Å; V110-T139 HydrophobicContact CG2-CG2 4Å; T139-L144 HydrophobicContact CG2-CD1 3.78Å; T139-L144 HydrophobicContact CG2-CG 4.25Å; T139-L144 WeakPolarHBondContact O-CB 3.46Å; T139-L144 VanDerWaalsContact O-CG 3.31Å; T139-L144 WeakPolarHBondContact O-CG 3.01Å; T139-L144 PolarHBondContact O-N 2.86Å; T139-Y346 WeakPolarHBondContact CA-OH 3.47Å; T139-Y346 HydrophobicContact CG2-CE2 3.74Å; T139-Y346 PolarHBondContact OG1-OH 2.99Å
140	A	96	Very high	94.4	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.008	5%	0.048	C	C	.	.	I	π-helix	trans	-87.8	-30.4	-171.3	0	0	0	0	0	114	V110 S112 P145 D233	V110-A140 HydrophobicContact CG2-CB 4.34Å; S112-A140 PolarHBondContact OG-O 3.01Å; A140-P145 VanDerWaalsContact O-CD 3.26Å; A140-P145 WeakPolarHBondContact O-CD 3.09Å; A140-P145 WeakPolarHBondContact O-CG 3.05Å; A140-D233 HydrophobicContact CB-CB 3.54Å
141	G	95.9	Very high	93.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-94.8	-4.9	-178.9	0	0	0	0	0	115.2	H133 S134 F231	H133-G141 WeakPolarHBondContact CB-O 3.37Å; H133-G141 PolarHBondContact ND1-O 3.12Å; S134-G141 WeakPolarHBondContact OG-CA 3.44Å; G141-F231 VanDerWaalsContact CA-O 3.32Å; G141-F231 WeakPolarHBondContact CA-O 2.99Å
142	W	95.3	Very high	92.9	Very high	7 Å²	7	10.8 Å²	10.8	3%	0.027	5%	0.049	C	C	.	.	I	π-helix	trans	-139.5	-66.7	-179.5	-174.6	-96.3	0	0	0	112.7	H133 G135 R137 W138 P145 L146 V167 V176 M182 L186	H133-W142 AromaticContact ND1-CE3 3.92Å; G135-W142 WeakPolarHBondContact O-CB 3.25Å; R137-W142 VanDerWaalsContact N-CD1 3.29Å; W138-W142 CarbonylContact O-C 3.34Å; W138-W142 WeakPolarHBondContact O-CA 3.06Å; W138-W142 VanDerWaalsContact O-CB 3.3Å; W138-W142 WeakPolarHBondContact O-CB 3.48Å; W138-W142 PolarHBondContact O-N 3.19Å; W142-P145 WeakPolarHBondContact O-CD 3.45Å; W142-L146 HydrophobicContact CD2-CD1 3.77Å; W142-L146 HydrophobicContact CE3-CD1 4.26Å; W142-L146 HydrophobicContact CG-CD1 4.19Å; W142-L146 HydrophobicContact CH2-CD1 4.1Å; W142-L146 HydrophobicContact CZ2-CD1 3.62Å; W142-L146 HydrophobicContact CZ3-CD1 4.38Å; W142-L146 WeakPolarHBondContact O-CB 3.22Å; W142-L146 WeakPolarHBondContact O-CG 3.48Å; W142-L146 PolarHBondContact O-N 2.76Å; W142-L146 VanDerWaalsContact O-N 3.12Å; W142-V167 HydrophobicContact CH2-CB 4.41Å; W142-V167 HydrophobicContact CH2-CG1 3.93Å; W142-V167 HydrophobicContact CZ3-CG1 4.22Å; W142-V176 HydrophobicContact CD2-CG1 4.38Å; W142-V176 HydrophobicContact CE3-CG1 3.53Å; W142-V176 HydrophobicContact CE3-CG2 4.31Å; W142-V176 HydrophobicContact CH2-CG1 4.24Å; W142-V176 HydrophobicContact CZ3-CB 4.18Å; W142-V176 HydrophobicContact CZ3-CG1 3.46Å; W142-V176 VanDerWaalsContact CZ3-CG1 3.46Å; W142-V176 HydrophobicContact CZ3-CG2 3.68Å; W142-M182 HydrophobicContact CZ2-CE 4.14Å; W142-L186 HydrophobicContact CH2-CD1 3.64Å; W142-L186 HydrophobicContact CH2-CD2 4.29Å; W142-L186 HydrophobicContact CZ2-CD1 4.46Å; W142-L186 HydrophobicContact CZ3-CD1 4.37Å
143	S	94.9	Very high	92	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-66.7	-47.2	-168.5	-57	0	0	0	0	113.4	W138 G147 L350 H355	W138-S143 PolarHBondContact O-N 3.25Å; S143-G147 PolarHBondContact O-N 3.4Å; S143-L350 WeakPolarHBondContact OG-CD2 3.42Å; S143-H355 PolarHBondContact OG-NE2 3.15Å
144	L	95	Very high	91.4	Very high	14 Å²	14	15.7 Å²	15.7	7%	0.073	7%	0.071	C	C	.	.	H	α-helix	trans	-67.4	-47.2	179.6	-69.5	171.3	0	0	0	113	T139 L146 G147 F148 Y346 L349	T139-L144 HydrophobicContact CG2-CD1 3.78Å; T139-L144 HydrophobicContact CG2-CG 4.25Å; T139-L144 WeakPolarHBondContact O-CB 3.46Å; T139-L144 VanDerWaalsContact O-CG 3.31Å; T139-L144 WeakPolarHBondContact O-CG 3.01Å; T139-L144 PolarHBondContact O-N 2.86Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.32Å; L144-G147 PolarHBondContact O-N 2.92Å; L144-F148 WeakPolarHBondContact O-CB 3.22Å; L144-F148 PolarHBondContact O-N 3.01Å; L144-Y346 HydrophobicContact CD2-CD2 4.46Å; L144-L349 HydrophobicContact CD2-CD2 3.85Å
145	P	95.4	Very high	90.9	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-57.4	-43.7	174.8	-25.1	31.9	0	0	0	113.2	S112 A140 W142 F148 L149 F231 L268	S112-P145 WeakPolarHBondContact OG-CD 3.35Å; S112-P145 WeakPolarHBondContact OG-CG 3.31Å; A140-P145 VanDerWaalsContact O-CD 3.26Å; A140-P145 WeakPolarHBondContact O-CD 3.09Å; A140-P145 WeakPolarHBondContact O-CG 3.05Å; W142-P145 WeakPolarHBondContact O-CD 3.45Å; P145-F148 WeakPolarHBondContact O-CB 3.3Å; P145-F148 PolarHBondContact O-N 3.49Å; P145-L149 VanDerWaalsContact O-CG 3.3Å; P145-L149 WeakPolarHBondContact O-CG 2.96Å; P145-L149 PolarHBondContact O-N 3.14Å; P145-F231 HydrophobicContact CB-CD1 3.6Å; P145-F231 HydrophobicContact CB-CE1 3.88Å; P145-F231 HydrophobicContact CB-CG 4.03Å; P145-F231 HydrophobicContact CG-CB 3.85Å; P145-F231 HydrophobicContact CG-CD1 3.65Å; P145-F231 HydrophobicContact CG-CE1 4.42Å; P145-F231 HydrophobicContact CG-CG 3.89Å; P145-L268 HydrophobicContact CB-CD1 4.21Å; P145-L268 HydrophobicContact CG-CD1 4.49Å
146	L	92.9	Very high	90.2	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-67.4	-41.7	178.1	-66.9	-178	0	0	0	111.7	W142 L144 F148 L149 L150 L155 L163 V167 L353	W142-L146 HydrophobicContact CD2-CD1 3.77Å; W142-L146 HydrophobicContact CE3-CD1 4.26Å; W142-L146 HydrophobicContact CG-CD1 4.19Å; W142-L146 HydrophobicContact CH2-CD1 4.1Å; W142-L146 HydrophobicContact CZ2-CD1 3.62Å; W142-L146 HydrophobicContact CZ3-CD1 4.38Å; W142-L146 WeakPolarHBondContact O-CB 3.22Å; W142-L146 WeakPolarHBondContact O-CG 3.48Å; W142-L146 PolarHBondContact O-N 2.76Å; W142-L146 VanDerWaalsContact O-N 3.12Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.32Å; L146-F148 VanDerWaalsContact C-N 3.29Å; L146-F148 PolarHBondContact O-N 3.36Å; L146-L149 PolarHBondContact O-N 3.07Å; L146-L150 WeakPolarHBondContact O-CB 3.34Å; L146-L150 VanDerWaalsContact O-CG 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3.37Å; L146-L155 HydrophobicContact CD2-CD2 3.96Å; L146-L163 HydrophobicContact CD1-CD2 4.2Å; L146-V167 HydrophobicContact CD1-CG2 4.03Å; L146-V167 HydrophobicContact CD2-CB 4.5Å; L146-V167 HydrophobicContact CD2-CG1 4.02Å; L146-V167 HydrophobicContact CD2-CG2 3.54Å; L146-V167 HydrophobicContact CG-CG2 4.44Å; L146-L353 HydrophobicContact CB-CD2 4.27Å
147	G	89.8	Confident	89.5	Confident	5 Å²	5	22.2 Å²	22.2	5%	0.052	11%	0.105	C	C	.	.	H	α-helix	trans	-56.5	-44.2	172.7	0	0	0	0	0	112.4	S143 L144 S151	S143-G147 PolarHBondContact O-N 3.4Å; L144-G147 PolarHBondContact O-N 2.92Å; G147-S151 VanDerWaalsContact O-CB 3.24Å; G147-S151 WeakPolarHBondContact O-CB 3.43Å; G147-S151 PolarHBondContact O-N 3.49Å; G147-S151 PolarHBondContact O-OG 2.99Å
148	F	90.4	Very high	88.5	Confident	17 Å²	17	20.9 Å²	20.9	8%	0.075	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-53	174.9	173.5	-94.9	0	0	0	111.9	V123 L144 P145 L146 L150 S151 R152 Y154 P253 L268	V123-F148 HydrophobicContact CG1-CE1 4.31Å; V123-F148 HydrophobicContact CG1-CZ 4.34Å; V123-F148 HydrophobicContact CG2-CE1 3.66Å; V123-F148 HydrophobicContact CG2-CZ 4.36Å; L144-F148 WeakPolarHBondContact O-CB 3.22Å; L144-F148 PolarHBondContact O-N 3.01Å; P145-F148 WeakPolarHBondContact O-CB 3.3Å; P145-F148 PolarHBondContact O-N 3.49Å; L146-F148 VanDerWaalsContact C-N 3.29Å; L146-F148 PolarHBondContact O-N 3.36Å; F148-L150 VanDerWaalsContact C-N 3.35Å; F148-L150 PolarHBondContact O-N 2.9Å; F148-S151 PolarHBondContact O-N 2.79Å; F148-S151 PolarHBondContact O-OG 2.9Å; F148-R152 HydrophobicContact CD2-CG 4.45Å; F148-R152 HydrophobicContact CE1-CG 4.49Å; F148-R152 HydrophobicContact CE2-CG 3.99Å; F148-R152 HydrophobicContact CZ-CG 4.02Å; F148-R152 PolarHBondContact O-N 2.85Å; F148-R152 VanDerWaalsContact O-N 3.12Å; F148-Y154 HydrophobicContact CE1-CD2 4.27Å; F148-Y154 HydrophobicContact CE1-CE2 4.13Å; F148-Y154 HydrophobicContact CZ-CE2 4.29Å; F148-P253 HydrophobicContact CE2-CB 3.8Å; F148-P253 HydrophobicContact CE2-CG 4.3Å; F148-P253 HydrophobicContact CZ-CB 4.12Å; F148-L268 HydrophobicContact CB-CB 4.2Å; F148-L268 HydrophobicContact CD1-CD2 3.94Å; F148-L268 HydrophobicContact CD2-CD2 4.41Å; F148-L268 HydrophobicContact CE1-CD2 3.99Å; F148-L268 HydrophobicContact CE2-CD2 4.45Å; F148-L268 HydrophobicContact CG-CB 4.23Å; F148-L268 HydrophobicContact CG-CD2 4.16Å; F148-L268 HydrophobicContact CZ-CD2 4.25Å
149	L	90.7	Very high	87.2	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-39.9	-178.2	-67.1	173.9	0	0	0	112.8	L126 P145 L146 N153 Y154 L155 F170	L126-L149 HydrophobicContact CD1-CD2 4.22Å; P145-L149 VanDerWaalsContact O-CG 3.3Å; P145-L149 WeakPolarHBondContact O-CG 2.96Å; P145-L149 PolarHBondContact O-N 3.14Å; L146-L149 PolarHBondContact O-N 3.07Å; L149-N153 PolarHBondContact O-N 3.03Å; L149-Y154 HydrophobicContact CD2-CD2 4.04Å; L149-Y154 PolarHBondContact O-N 3.04Å; L149-L155 HydrophobicContact CB-CB 3.79Å; L149-L155 PolarHBondContact O-N 2.86Å; L149-F170 HydrophobicContact CD1-CE1 4.27Å
150	L	85.4	Confident	86	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-42.3	175.5	-70.4	168	0	0	0	111.5	L146 F148 R152 N153 L155 W157 L163 L353 V639	L146-L150 WeakPolarHBondContact O-CB 3.34Å; L146-L150 VanDerWaalsContact O-CG 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3.37Å; F148-L150 VanDerWaalsContact C-N 3.35Å; F148-L150 PolarHBondContact O-N 2.9Å; L150-R152 VanDerWaalsContact C-N 3.27Å; L150-R152 PolarHBondContact O-N 3.02Å; L150-N153 PolarHBondContact O-N 3.04Å; L150-N153 VanDerWaalsContact O-N 3.08Å; L150-L155 HydrophobicContact CD2-CB 4.32Å; L150-L155 HydrophobicContact CD2-CD2 3.97Å; L150-L155 HydrophobicContact CD2-CG 4.01Å; L150-L155 WeakPolarHBondContact CD2-O 3.34Å; L150-L155 HydrophobicContact CG-CD2 4.15Å; L150-W157 HydrophobicContact CD2-CB 3.86Å; L150-L163 HydrophobicContact CD1-CD1 4.27Å; L150-L163 HydrophobicContact CD1-CD2 4.44Å; L150-L163 HydrophobicContact CD2-CD1 4.32Å; L150-L353 HydrophobicContact CD1-CD2 3.61Å; L150-V639 HydrophobicContact CD1-CG2 4.45Å
151	S	82.2	Confident	85	Confident	13 Å²	13	34 Å²	34	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-29	-178.3	71.7	0	0	0	0	114	G147 F148 P638	G147-S151 VanDerWaalsContact O-CB 3.24Å; G147-S151 WeakPolarHBondContact O-CB 3.43Å; G147-S151 PolarHBondContact O-N 3.49Å; G147-S151 PolarHBondContact O-OG 2.99Å; F148-S151 PolarHBondContact O-N 2.79Å; F148-S151 PolarHBondContact O-OG 2.9Å; S151-P638 WeakPolarHBondContact CA-O 3.39Å; S151-P638 WeakPolarHBondContact CB-O 3.43Å
152	R	82.4	Confident	84.4	Confident	57 Å²	57	37.3 Å²	37.3	22%	0.215	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.5	175.9	-63.3	-62.6	-171	179.2	-0.2	113.2	F148 L150 Y154 M691	F148-R152 HydrophobicContact CD2-CG 4.45Å; F148-R152 HydrophobicContact CE1-CG 4.49Å; F148-R152 HydrophobicContact CE2-CG 3.99Å; F148-R152 HydrophobicContact CZ-CG 4.02Å; F148-R152 PolarHBondContact O-N 2.85Å; F148-R152 VanDerWaalsContact O-N 3.12Å; L150-R152 VanDerWaalsContact C-N 3.27Å; L150-R152 PolarHBondContact O-N 3.02Å; R152-Y154 HydrophobicContact CB-CD1 4.02Å; R152-Y154 HydrophobicContact CB-CD2 3.74Å; R152-Y154 HydrophobicContact CB-CE1 3.83Å; R152-Y154 HydrophobicContact CB-CE2 3.55Å; R152-Y154 HydrophobicContact CB-CG 3.95Å; R152-Y154 HydrophobicContact CG-CD2 4.49Å; R152-Y154 HydrophobicContact CG-CE2 3.99Å; R152-Y154 VanDerWaalsContact O-CD1 3.32Å; R152-Y154 WeakPolarHBondContact O-CD1 3.12Å; R152-Y154 WeakPolarHBondContact O-CE1 3.02Å; R152-Y154 PolarHBondContact O-N 3.04Å; R152-M691 PolarHBondContact NH1-O 3.22Å
153	N	79	Confident	83.9	Confident	49 Å²	49	37.6 Å²	37.6	26%	0.262	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	27.2	-174.3	-158.7	37.1	0	0	0	114.1	L149 L150	L149-N153 PolarHBondContact O-N 3.03Å; L150-N153 PolarHBondContact O-N 3.04Å; L150-N153 VanDerWaalsContact O-N 3.08Å
154	Y	86.4	Confident	83.5	Confident	56 Å²	56	38.1 Å²	38.1	22%	0.22	20%	0.202	C	C	.	.	S	Bend	trans	-79.7	-30.6	173.8	-59.6	-21.5	0	0	0	111.5	V123 R124 F148 L149 R152 F170	V123-Y154 HydrophobicContact CG1-CE2 4.22Å; R124-Y154 HydrophobicContact CG-CE1 3.98Å; R124-Y154 HydrophobicContact CG-CE2 3.92Å; R124-Y154 WeakPolarHBondContact CG-OH 3.18Å; F148-Y154 HydrophobicContact CE1-CD2 4.27Å; F148-Y154 HydrophobicContact CE1-CE2 4.13Å; F148-Y154 HydrophobicContact CZ-CE2 4.29Å; L149-Y154 HydrophobicContact CD2-CD2 4.04Å; L149-Y154 PolarHBondContact O-N 3.04Å; R152-Y154 HydrophobicContact CB-CD1 4.02Å; R152-Y154 HydrophobicContact CB-CD2 3.74Å; R152-Y154 HydrophobicContact CB-CE1 3.83Å; R152-Y154 HydrophobicContact CB-CE2 3.55Å; R152-Y154 HydrophobicContact CB-CG 3.95Å; R152-Y154 HydrophobicContact CG-CD2 4.49Å; R152-Y154 HydrophobicContact CG-CE2 3.99Å; R152-Y154 VanDerWaalsContact O-CD1 3.32Å; R152-Y154 WeakPolarHBondContact O-CD1 3.12Å; R152-Y154 WeakPolarHBondContact O-CE1 3.02Å; R152-Y154 PolarHBondContact O-N 3.04Å; Y154-F170 WeakPolarHBondContact O-CE2 3.47Å
155	L	86	Confident	83.2	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.218	C	C	.	.	S	Bend	trans	-108.1	122.8	169.8	173.4	66.6	0	0	0	108.3	L146 L149 L150 L163 V167 F170	L146-L155 HydrophobicContact CD2-CD2 3.96Å; L149-L155 HydrophobicContact CB-CB 3.79Å; L149-L155 PolarHBondContact O-N 2.86Å; L150-L155 HydrophobicContact CD2-CB 4.32Å; L150-L155 HydrophobicContact CD2-CD2 3.97Å; L150-L155 HydrophobicContact CD2-CG 4.01Å; L150-L155 WeakPolarHBondContact CD2-O 3.34Å; L150-L155 HydrophobicContact CG-CD2 4.15Å; L155-L163 HydrophobicContact CD2-CD1 4.14Å; L155-V167 HydrophobicContact CD2-CG2 3.71Å; L155-F170 HydrophobicContact CD1-CB 3.59Å; L155-F170 HydrophobicContact CD1-CD1 4.49Å; L155-F170 HydrophobicContact CD1-CD2 3.83Å; L155-F170 HydrophobicContact CD1-CG 3.72Å
156	T	80.3	Confident	82.8	Confident	102 Å²	102	42.5 Å²	42.5	63%	0.626	22%	0.223	S	C	*	.			trans	-88.3	140.2	170.2	48.7	0	0	0	0	109.9
157	W	78.7	Confident	82.8	Confident	41 Å²	41	42.4 Å²	42.4	16%	0.155	22%	0.222	C	C	.	.			trans	-124	111.9	177.3	178.6	18.4	0	0	0	109.7	L150 N161 L163 D166 G352	L150-W157 HydrophobicContact CD2-CB 3.86Å; W157-N161 PolarHBondContact NE1-O 3.45Å; W157-L163 HydrophobicContact CB-CD1 4.17Å; W157-L163 HydrophobicContact CD2-CB 4.25Å; W157-L163 HydrophobicContact CD2-CD1 3.97Å; W157-L163 HydrophobicContact CE3-CD1 4.36Å; W157-L163 HydrophobicContact CG-CD1 3.86Å; W157-L163 HydrophobicContact CZ2-CB 4.15Å; W157-D166 WeakPolarHBondContact CA-OD2 3.3Å; W157-G352 WeakPolarHBondContact CH2-O 3.33Å; W157-G352 WeakPolarHBondContact CZ3-O 3.44Å
158	S	72.2	Confident	82.8	Confident	46 Å²	46	42.7 Å²	42.7	32%	0.322	23%	0.225	S	C	.	.			trans	-76.2	140.9	174.6	-179.6	0	0	0	0	111.1	D160 N161 D166	S158-D160 PolarHBondContact O-N 3.46Å; S158-D160 PolarHBondContact OG-N 3.12Å; S158-N161 PolarHBondContact O-N 3.14Å; S158-N161 VanDerWaalsContact O-O 3.08Å; S158-D166 PolarHBondContact N-OD2 3.27Å
159	K	65.9	Low	82.9	Confident	91 Å²	91	46.5 Å²	46.5	40%	0.396	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.8	174.1	-59.9	-170.2	-176.7	-162.4	0	113.1	N161 D388	K159-N161 VanDerWaalsContact C-N 3.25Å; K159-N161 PolarHBondContact O-N 3.46Å; K159-D388 IonicContact NZ-OD1 3.06Å; K159-D388 PolarHBondContact NZ-OD1 2.76Å; K159-D388 IonicContact NZ-OD2 3.72Å; K159-D388 PolarHBondContact NZ-OD2 2.67Å
160	D	71.4	Confident	83	Confident	147 Å²	147	47.1 Å²	47.1	79%	0.786	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.1	-178.1	-58.3	-42.9	0	0	0	112.3	S158	S158-D160 PolarHBondContact O-N 3.46Å; S158-D160 PolarHBondContact OG-N 3.12Å
161	N	75.1	Confident	83.6	Confident	60 Å²	60	47.3 Å²	47.3	32%	0.321	26%	0.257	S	S	.	.	S	Bend	trans	-122.4	143.8	-173.5	-66.3	-24.9	0	0	0	112.3	W157 S158 K159 Q165 D166	W157-N161 PolarHBondContact NE1-O 3.45Å; S158-N161 PolarHBondContact O-N 3.14Å; S158-N161 VanDerWaalsContact O-O 3.08Å; K159-N161 VanDerWaalsContact C-N 3.25Å; K159-N161 PolarHBondContact O-N 3.46Å; N161-Q165 HydrophobicContact CB-CB 4.33Å; N161-D166 WeakPolarHBondContact CB-OD1 3.48Å; N161-D166 PolarHBondContact ND2-OD1 3.33Å
162	P	82.6	Confident	84.2	Confident	70 Å²	70	50.4 Å²	50.4	46%	0.455	28%	0.279	S	S	.	.			trans	-58.5	139.5	161.2	-18.9	30.6	0	0	0	110.1	S164 Q165	P162-S164 PolarHBondContact O-N 3.44Å; P162-Q165 WeakPolarHBondContact O-CB 3.37Å; P162-Q165 PolarHBondContact O-N 3.13Å
163	L	84.6	Confident	84.9	Confident	12 Å²	12	48.3 Å²	48.3	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-48.1	-37	179.8	178.1	65.2	0	0	0	113.5	L146 L150 L155 W157 Q165 D166 V167 L353	L146-L163 HydrophobicContact CD1-CD2 4.2Å; L150-L163 HydrophobicContact CD1-CD1 4.27Å; L150-L163 HydrophobicContact CD1-CD2 4.44Å; L150-L163 HydrophobicContact CD2-CD1 4.32Å; L155-L163 HydrophobicContact CD2-CD1 4.14Å; W157-L163 HydrophobicContact CB-CD1 4.17Å; W157-L163 HydrophobicContact CD2-CB 4.25Å; W157-L163 HydrophobicContact CD2-CD1 3.97Å; W157-L163 HydrophobicContact CE3-CD1 4.36Å; W157-L163 HydrophobicContact CG-CD1 3.86Å; W157-L163 HydrophobicContact CZ2-CB 4.15Å; L163-Q165 PolarHBondContact O-N 2.88Å; L163-D166 PolarHBondContact O-N 3.09Å; L163-V167 HydrophobicContact CD1-CG2 4.01Å; L163-V167 HydrophobicContact CG-CG2 4.03Å; L163-V167 VanDerWaalsContact O-CG2 3.27Å; L163-V167 WeakPolarHBondContact O-CG2 3.3Å; L163-V167 PolarHBondContact O-N 2.83Å; L163-L353 HydrophobicContact CD2-CB 4.3Å; L163-L353 HydrophobicContact CD2-CD2 3.36Å; L163-L353 HydrophobicContact CD2-CG 4.39Å
164	S	87.3	Confident	85.8	Confident	12 Å²	12	46 Å²	46	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-28.9	178.9	51.8	0	0	0	0	114.1	P162 G168 M182 A183	P162-S164 PolarHBondContact O-N 3.44Å; S164-G168 PolarHBondContact O-N 2.94Å; S164-G168 VanDerWaalsContact O-N 3.07Å; S164-M182 PolarHBondContact OG-O 3.44Å; S164-A183 WeakPolarHBondContact O-CB 3.46Å
165	Q	87.5	Confident	86.4	Confident	87 Å²	87	43.4 Å²	43.4	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-75.7	-42.7	176.8	-63.1	-171.7	9.6	0	0	111.7	N161 P162 L163 G168 S169 A183	N161-Q165 HydrophobicContact CB-CB 4.33Å; P162-Q165 WeakPolarHBondContact O-CB 3.37Å; P162-Q165 PolarHBondContact O-N 3.13Å; L163-Q165 PolarHBondContact O-N 2.88Å; Q165-G168 CarbonylContact O-C 3.59Å; Q165-G168 WeakPolarHBondContact O-CA 3.34Å; Q165-G168 PolarHBondContact O-N 3.26Å; Q165-G168 VanDerWaalsContact O-N 3.16Å; Q165-S169 PolarHBondContact O-N 3.45Å; Q165-S169 PolarHBondContact O-OG 3.36Å; Q165-A183 HydrophobicContact CG-CB 4.5Å
166	D	88.8	Confident	86.9	Confident	20 Å²	20	43.3 Å²	43.3	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-68.2	-40	177.9	-70.3	-11.6	0	0	0	111	W157 S158 N161 L163 G168 S169 F170	W157-D166 WeakPolarHBondContact CA-OD2 3.3Å; S158-D166 PolarHBondContact N-OD2 3.27Å; N161-D166 WeakPolarHBondContact CB-OD1 3.48Å; N161-D166 PolarHBondContact ND2-OD1 3.33Å; L163-D166 PolarHBondContact O-N 3.09Å; D166-G168 VanDerWaalsContact C-N 3.28Å; D166-G168 PolarHBondContact O-N 3.15Å; D166-S169 CarbonylContact O-C 3.56Å; D166-S169 PolarHBondContact O-N 3.41Å; D166-F170 WeakPolarHBondContact O-CB 3.45Å; D166-F170 PolarHBondContact O-N 2.9Å
167	V	91.3	Very high	87.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-40.4	170.1	177.6	0	0	0	0	111.2	W142 L146 L155 L163 S169 F170 F171 L186	W142-V167 HydrophobicContact CH2-CB 4.41Å; W142-V167 HydrophobicContact CH2-CG1 3.93Å; W142-V167 HydrophobicContact CZ3-CG1 4.22Å; L146-V167 HydrophobicContact CD1-CG2 4.03Å; L146-V167 HydrophobicContact CD2-CB 4.5Å; L146-V167 HydrophobicContact CD2-CG1 4.02Å; L146-V167 HydrophobicContact CD2-CG2 3.54Å; L146-V167 HydrophobicContact CG-CG2 4.44Å; L155-V167 HydrophobicContact CD2-CG2 3.71Å; L163-V167 HydrophobicContact CD1-CG2 4.01Å; L163-V167 HydrophobicContact CG-CG2 4.03Å; L163-V167 VanDerWaalsContact O-CG2 3.27Å; L163-V167 WeakPolarHBondContact O-CG2 3.3Å; L163-V167 PolarHBondContact O-N 2.83Å; V167-S169 PolarHBondContact O-N 3.27Å; V167-F170 PolarHBondContact O-N 3.02Å; V167-F171 HydrophobicContact CG1-CD2 4.22Å; V167-F171 HydrophobicContact CG1-CE2 4.37Å; V167-F171 PolarHBondContact O-N 3.13Å; V167-L186 HydrophobicContact CB-CD2 4.36Å; V167-L186 HydrophobicContact CG1-CD2 3.86Å
168	G	91	Very high	88.3	Confident	10 Å²	10	38 Å²	38	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-17.8	177.1	0	0	0	0	0	114.1	S164 Q165 D166	S164-G168 PolarHBondContact O-N 2.94Å; S164-G168 VanDerWaalsContact O-N 3.07Å; Q165-G168 CarbonylContact O-C 3.59Å; Q165-G168 WeakPolarHBondContact O-CA 3.34Å; Q165-G168 PolarHBondContact O-N 3.26Å; Q165-G168 VanDerWaalsContact O-N 3.16Å; D166-G168 VanDerWaalsContact C-N 3.28Å; D166-G168 PolarHBondContact O-N 3.15Å
169	S	91.6	Very high	89.3	Confident	98 Å²	98	35.9 Å²	35.9	69%	0.685	21%	0.214	S	C	*	.	H	α-helix	trans	-97.4	-25.8	175.1	-53.8	0	0	0	0	112.1	Q165 D166 V167	Q165-S169 PolarHBondContact O-N 3.45Å; Q165-S169 PolarHBondContact O-OG 3.36Å; D166-S169 CarbonylContact O-C 3.56Å; D166-S169 PolarHBondContact O-N 3.41Å; V167-S169 PolarHBondContact O-N 3.27Å
170	F	94.3	Very high	90.4	Very high	15 Å²	15	33.6 Å²	33.6	7%	0.066	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-46.4	177.1	177.3	-98.1	0	0	0	112.2	L126 Q127 G128 L149 Y154 L155 D166 V167	L126-F170 HydrophobicContact CB-CE1 3.98Å; L126-F170 HydrophobicContact CB-CZ 4Å; Q127-F170 HydrophobicContact CB-CD2 4.03Å; Q127-F170 HydrophobicContact CB-CE2 3.54Å; Q127-F170 HydrophobicContact CB-CZ 3.96Å; Q127-F170 HydrophobicContact CG-CD2 3.86Å; Q127-F170 HydrophobicContact CG-CE2 3.88Å; G128-F170 PolarHBondContact N-O 3.29Å; L149-F170 HydrophobicContact CD1-CE1 4.27Å; Y154-F170 WeakPolarHBondContact O-CE2 3.47Å; L155-F170 HydrophobicContact CD1-CB 3.59Å; L155-F170 HydrophobicContact CD1-CD1 4.49Å; L155-F170 HydrophobicContact CD1-CD2 3.83Å; L155-F170 HydrophobicContact CD1-CG 3.72Å; D166-F170 WeakPolarHBondContact O-CB 3.45Å; D166-F170 PolarHBondContact O-N 2.9Å; V167-F170 PolarHBondContact O-N 3.02Å
171	F	96.4	Very high	91	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	22%	0.217	C	C	.	.	S	Bend	trans	-90.6	144	173.1	-66.4	-67.9	0	0	0	110.5	L126 L129 S131 V167 A173 S174 V229 F231	L126-F171 HydrophobicContact CB-CE1 4.2Å; L129-F171 CarbonylContact O-C 3.2Å; L129-F171 WeakPolarHBondContact O-CA 3.24Å; L129-F171 WeakPolarHBondContact O-CB 3.47Å; L129-F171 WeakPolarHBondContact O-CD1 3.22Å; S131-F171 WeakPolarHBondContact OG-CD2 3.34Å; S131-F171 WeakPolarHBondContact OG-CG 3.43Å; V167-F171 HydrophobicContact CG1-CD2 4.22Å; V167-F171 HydrophobicContact CG1-CE2 4.37Å; V167-F171 PolarHBondContact O-N 3.13Å; F171-A173 VanDerWaalsContact C-N 3.3Å; F171-A173 PolarHBondContact O-N 3.31Å; F171-S174 WeakPolarHBondContact CB-OG 3.27Å; F171-V229 HydrophobicContact CE1-CG1 4.43Å; F171-F231 AromaticContact CZ-CE2 3.88Å; F171-F231 HydrophobicContact CZ-CE2 3.88Å; F171-F231 HydrophobicContact CZ-CZ 4.14Å
172	S	96	Very high	91.5	Very high	79 Å²	79	34.4 Å²	34.4	55%	0.552	22%	0.216	S	C	*	.	S	Bend	trans	-68.8	-31.1	178.5	53.6	0	0	0	0	112.9	G128 L129	G128-S172 WeakPolarHBondContact O-CB 3.32Å; G128-S172 PolarHBondContact O-OG 3.24Å; L129-S172 PolarHBondContact O-N 3.29Å; L129-S172 PolarHBondContact O-OG 2.92Å
173	A	96.8	Very high	91.8	Very high	13 Å²	13	31.2 Å²	31.2	11%	0.107	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	148	171.4	0	0	0	0	0	109.4	R130 S131 F171 T188 L189	R130-A173 CarbonylContact C-O 3.53Å; R130-A173 WeakPolarHBondContact CA-O 3.29Å; R130-A173 HydrophobicContact CG-CB 4.4Å; S131-A173 PolarHBondContact N-O 3.34Å; F171-A173 VanDerWaalsContact C-N 3.3Å; F171-A173 PolarHBondContact O-N 3.31Å; A173-T188 HydrophobicContact CB-CG2 3.95Å; A173-L189 HydrophobicContact CB-CD1 4.19Å; A173-L189 HydrophobicContact CB-CD2 3.63Å; A173-L189 HydrophobicContact CB-CG 3.73Å; A173-L189 WeakPolarHBondContact O-CD1 3.38Å
174	S	98	Very high	92.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	160.3	176.4	-50.2	0	0	0	0	112.1	S131 F171 L186 C187 T188 L189	S131-S174 CarbonylContact O-C 3.22Å; S131-S174 WeakPolarHBondContact O-CA 3.19Å; S131-S174 VanDerWaalsContact OG-CB 3.26Å; S131-S174 WeakPolarHBondContact OG-CB 3.36Å; S131-S174 PolarHBondContact OG-OG 3.08Å; F171-S174 WeakPolarHBondContact CB-OG 3.27Å; S174-L186 CarbonylContact C-O 3.57Å; S174-L186 VanDerWaalsContact C-O 3.23Å; S174-L186 CarbonylContact O-C 3.49Å; S174-C187 CarbonylContact O-C 3.56Å; S174-C187 VanDerWaalsContact O-C 3.32Å; S174-T188 PolarHBondContact O-N 3.5Å; S174-L189 PolarHBondContact O-N 3.39Å
175	C	98.1	Very high	92.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.3	154.2	-177.9	0	0	0	0	109.6	S131 H133 L186 L189 C190 F212	S131-C175 PolarHBondContact O-N 3.27Å; H133-C175 PolarHBondContact N-O 2.88Å; C175-L186 CarbonylContact C-O 3.54Å; C175-L186 WeakPolarHBondContact CA-O 3.43Å; C175-L189 HydrophobicContact CB-CB 3.89Å; C175-C190 WeakPolarHBondContact CA-SG 3.21Å; C175-C190 HydrophobicContact CB-CB 4.07Å; C175-C190 WeakPolarHBondContact CB-SG 3.44Å; C175-C190 WeakPolarHBondContact SG-CA 3.34Å; C175-C190 WeakPolarHBondContact SG-CB 3.44Å; C175-C190 CovalentContact SG-SG 2.06Å; C175-C190 PolarHBondContact SG-SG 2.9Å; C175-F212 HydrophobicContact CB-CB 4.49Å; C175-F212 HydrophobicContact CB-CD2 4.26Å
176	V	97.6	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	22%	0.219	C	C	.	.			trans	-125	86.8	177.6	-170.5	0	0	0	0	108.6	H133 A136 W142 G178 A179 L186 C204	H133-V176 HydrophobicContact CB-CB 4.41Å; H133-V176 HydrophobicContact CB-CG1 4.25Å; H133-V176 HydrophobicContact CB-CG2 4.04Å; A136-V176 HydrophobicContact CB-CG1 3.97Å; W142-V176 HydrophobicContact CD2-CG1 4.38Å; W142-V176 HydrophobicContact CE3-CG1 3.53Å; W142-V176 HydrophobicContact CE3-CG2 4.31Å; W142-V176 HydrophobicContact CH2-CG1 4.24Å; W142-V176 HydrophobicContact CZ3-CB 4.18Å; W142-V176 HydrophobicContact CZ3-CG1 3.46Å; W142-V176 VanDerWaalsContact CZ3-CG1 3.46Å; W142-V176 HydrophobicContact CZ3-CG2 3.68Å; V176-G178 PolarHBondContact O-N 3.16Å; V176-A179 HydrophobicContact CB-CB 3.76Å; V176-A179 HydrophobicContact CG1-CB 3.76Å; V176-A179 WeakPolarHBondContact O-CB 3.46Å; V176-A179 PolarHBondContact O-N 2.92Å; V176-L186 HydrophobicContact CB-CB 4.06Å; V176-L186 HydrophobicContact CG2-CB 3.89Å; V176-L186 HydrophobicContact CG2-CD2 4.15Å; V176-L186 HydrophobicContact CG2-CG 4.47Å; V176-L186 WeakPolarHBondContact CG2-O 3.29Å; V176-L186 PolarHBondContact N-O 3.5Å; V176-C204 PolarHBondContact O-SG 2.84Å
177	P	95.7	Very high	93.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	129.3	178.3	-23.6	29.3	0	0	0	112.2	H133 A136 E210 Y213	H133-P177 WeakPolarHBondContact O-CD 3.29Å; A136-P177 WeakPolarHBondContact CB-O 3.44Å; A136-P177 PolarHBondContact N-O 3.39Å; P177-E210 HydrophobicContact CG-CG 4.36Å; P177-Y213 HydrophobicContact CB-CD2 3.63Å; P177-Y213 HydrophobicContact CB-CG 4.44Å; P177-Y213 HydrophobicContact CG-CD2 4.13Å
178	G	92.5	Very high	93.4	Very high	32 Å²	32	36.9 Å²	36.9	33%	0.33	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-7.4	-175.9	0	0	0	0	0	115.1	V176 C204	V176-G178 PolarHBondContact O-N 3.16Å; G178-C204 PolarHBondContact N-O 3.11Å
179	A	92.9	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.24	C	C	.	.			trans	-87.6	2.1	-178.2	0	0	0	0	0	114.8	A136 V176 N181 M182 A183 L186	A136-A179 HydrophobicContact CB-CB 4.28Å; V176-A179 HydrophobicContact CB-CB 3.76Å; V176-A179 HydrophobicContact CG1-CB 3.76Å; V176-A179 WeakPolarHBondContact O-CB 3.46Å; V176-A179 PolarHBondContact O-N 2.92Å; A179-N181 PolarHBondContact O-N 3.3Å; A179-N181 VanDerWaalsContact O-N 3.13Å; A179-M182 HydrophobicContact CB-CB 4.38Å; A179-M182 HydrophobicContact CB-SD 4.41Å; A179-M182 WeakPolarHBondContact O-CA 2.86Å; A179-M182 WeakPolarHBondContact O-CB 3.24Å; A179-M182 PolarHBondContact O-N 3.18Å; A179-A183 PolarHBondContact O-N 2.9Å; A179-L186 HydrophobicContact CB-CB 3.86Å; A179-L186 HydrophobicContact CB-CD1 3.85Å
180	A	87.9	Confident	93.9	Very high	43 Å²	43	33 Å²	33	36%	0.355	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-36	-174.5	0	0	0	0	0	113.6	C187 C204	A180-C187 VanDerWaalsContact CA-SG 3.5Å; A180-C187 PolarHBondContact N-SG 3.19Å; A180-C187 VanDerWaalsContact N-SG 3.39Å; A180-C204 HydrophobicContact CB-CB 4.37Å
181	N	84.7	Confident	94	Very high	167 Å²	167	37.6 Å²	37.6	89%	0.893	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-9.2	176.7	-59.9	-31.8	0	0	0	113.3	A179	A179-N181 PolarHBondContact O-N 3.3Å; A179-N181 VanDerWaalsContact O-N 3.13Å
182	M	86.8	Confident	93.8	Very high	57 Å²	57	37.7 Å²	37.7	28%	0.281	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-51.1	-179.7	-63.9	175.5	57.1	0	0	111.2	A136 W142 S164 A179	A136-M182 HydrophobicContact CB-SD 3.93Å; W142-M182 HydrophobicContact CZ2-CE 4.14Å; S164-M182 PolarHBondContact OG-O 3.44Å; A179-M182 HydrophobicContact CB-CB 4.38Å; A179-M182 HydrophobicContact CB-SD 4.41Å; A179-M182 WeakPolarHBondContact O-CA 2.86Å; A179-M182 WeakPolarHBondContact O-CB 3.24Å; A179-M182 PolarHBondContact O-N 3.18Å
183	A	88.9	Confident	93.5	Very high	4 Å²	4	40 Å²	40	3%	0.033	24%	0.235	C	C	.	.			trans	-161	115.9	173.7	0	0	0	0	0	109.4	S164 Q165 A179 P185 L186	S164-A183 WeakPolarHBondContact O-CB 3.46Å; Q165-A183 HydrophobicContact CG-CB 4.5Å; A179-A183 PolarHBondContact O-N 2.9Å; A183-P185 VanDerWaalsContact C-N 3.34Å; A183-L186 HydrophobicContact CB-CD1 3.88Å; A183-L186 HydrophobicContact CB-CG 4.02Å; A183-L186 WeakPolarHBondContact O-CB 3.39Å; A183-L186 PolarHBondContact O-N 3.46Å; A183-L186 VanDerWaalsContact O-N 3.1Å
184	P	89.7	Confident	93.1	Very high	100 Å²	100	46.4 Å²	46.4	65%	0.649	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-53	-36.6	179.9	-27.3	34.7	0	0	0	116	L186 C187	P184-L186 PolarHBondContact O-N 2.99Å; P184-L186 VanDerWaalsContact O-N 3.15Å; P184-C187 PolarHBondContact O-N 3.25Å; P184-C187 VanDerWaalsContact O-N 3.08Å
185	P	92.2	Very high	92.6	Very high	63 Å²	63	48.1 Å²	48.1	41%	0.409	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-56.8	-28.5	177.1	-28.4	36.8	0	0	0	114.4	A183 C187 T188	A183-P185 VanDerWaalsContact C-N 3.34Å; P185-C187 PolarHBondContact O-N 3.48Å; P185-C187 VanDerWaalsContact O-N 3.17Å; P185-T188 WeakPolarHBondContact O-CB 3.13Å; P185-T188 PolarHBondContact O-N 2.94Å; P185-T188 PolarHBondContact O-OG1 2.75Å
186	L	96.2	Very high	91.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-69.2	-10.7	179.5	-64	177.2	0	0	0	114	W142 V167 S174 C175 V176 A179 A183 P184	W142-L186 HydrophobicContact CH2-CD1 3.64Å; W142-L186 HydrophobicContact CH2-CD2 4.29Å; W142-L186 HydrophobicContact CZ2-CD1 4.46Å; W142-L186 HydrophobicContact CZ3-CD1 4.37Å; V167-L186 HydrophobicContact CB-CD2 4.36Å; V167-L186 HydrophobicContact CG1-CD2 3.86Å; S174-L186 CarbonylContact C-O 3.57Å; S174-L186 VanDerWaalsContact C-O 3.23Å; S174-L186 CarbonylContact O-C 3.49Å; C175-L186 CarbonylContact C-O 3.54Å; C175-L186 WeakPolarHBondContact CA-O 3.43Å; V176-L186 HydrophobicContact CB-CB 4.06Å; V176-L186 HydrophobicContact CG2-CB 3.89Å; V176-L186 HydrophobicContact CG2-CD2 4.15Å; V176-L186 HydrophobicContact CG2-CG 4.47Å; V176-L186 WeakPolarHBondContact CG2-O 3.29Å; V176-L186 PolarHBondContact N-O 3.5Å; A179-L186 HydrophobicContact CB-CB 3.86Å; A179-L186 HydrophobicContact CB-CD1 3.85Å; A183-L186 HydrophobicContact CB-CD1 3.88Å; A183-L186 HydrophobicContact CB-CG 4.02Å; A183-L186 WeakPolarHBondContact O-CB 3.39Å; A183-L186 PolarHBondContact O-N 3.46Å; A183-L186 VanDerWaalsContact O-N 3.1Å; P184-L186 PolarHBondContact O-N 2.99Å; P184-L186 VanDerWaalsContact O-N 3.15Å
187	C	96.5	Very high	91.2	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.014	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-107	1.5	-179	-68.1	0	0	0	0	113.3	S174 A180 P184 P185 L189 C190 F203 C204	S174-C187 CarbonylContact O-C 3.56Å; S174-C187 VanDerWaalsContact O-C 3.32Å; A180-C187 VanDerWaalsContact CA-SG 3.5Å; A180-C187 PolarHBondContact N-SG 3.19Å; A180-C187 VanDerWaalsContact N-SG 3.39Å; P184-C187 PolarHBondContact O-N 3.25Å; P184-C187 VanDerWaalsContact O-N 3.08Å; P185-C187 PolarHBondContact O-N 3.48Å; P185-C187 VanDerWaalsContact O-N 3.17Å; C187-L189 VanDerWaalsContact C-N 3.27Å; C187-L189 PolarHBondContact O-N 3.48Å; C187-C190 WeakPolarHBondContact O-CB 3.15Å; C187-C190 PolarHBondContact O-N 2.89Å; C187-F203 HydrophobicContact CB-CE1 3.79Å; C187-F203 HydrophobicContact CB-CZ 3.94Å; C187-F203 WeakPolarHBondContact O-CZ 3.32Å; C187-C204 HydrophobicContact CB-CB 3.48Å; C187-C204 VanDerWaalsContact CB-CB 3.48Å; C187-C204 WeakPolarHBondContact CB-SG 3.11Å; C187-C204 WeakPolarHBondContact SG-CB 3.47Å; C187-C204 CovalentContact SG-SG 2.03Å; C187-C204 PolarHBondContact SG-SG 3.11Å
188	T	96.6	Very high	90.2	Very high	84 Å²	84	73 Å²	73	52%	0.515	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.7	-170.8	-57.5	0	0	0	0	113.8	A173 S174 P185	A173-T188 HydrophobicContact CB-CG2 3.95Å; S174-T188 PolarHBondContact O-N 3.5Å; P185-T188 WeakPolarHBondContact O-CB 3.13Å; P185-T188 PolarHBondContact O-N 2.94Å; P185-T188 PolarHBondContact O-OG1 2.75Å
189	L	97.4	Very high	89.3	Confident	21 Å²	21	78.7 Å²	78.7	11%	0.11	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.5	-178.5	-57.3	176	0	0	0	113.9	R130 A173 S174 C175 C187 Q191 F212 A226	R130-L189 HydrophobicContact CB-CD1 3.86Å; A173-L189 HydrophobicContact CB-CD1 4.19Å; A173-L189 HydrophobicContact CB-CD2 3.63Å; A173-L189 HydrophobicContact CB-CG 3.73Å; A173-L189 WeakPolarHBondContact O-CD1 3.38Å; S174-L189 PolarHBondContact O-N 3.39Å; C175-L189 HydrophobicContact CB-CB 3.89Å; C187-L189 VanDerWaalsContact C-N 3.27Å; C187-L189 PolarHBondContact O-N 3.48Å; L189-Q191 PolarHBondContact O-NE2 3.12Å; L189-F212 WeakPolarHBondContact O-CE2 3.42Å; L189-A226 WeakPolarHBondContact CD1-O 3.11Å
190	C	97.2	Very high	88.8	Confident	6 Å²	6	84.8 Å²	84.8	4%	0.041	42%	0.42	C	S	.	.			trans	-65	150.7	-176.8	-66.6	0	0	0	0	112	C175 C187 F203 C204 E210	C175-C190 WeakPolarHBondContact CA-SG 3.21Å; C175-C190 HydrophobicContact CB-CB 4.07Å; C175-C190 WeakPolarHBondContact CB-SG 3.44Å; C175-C190 WeakPolarHBondContact SG-CA 3.34Å; C175-C190 WeakPolarHBondContact SG-CB 3.44Å; C175-C190 CovalentContact SG-SG 2.06Å; C175-C190 PolarHBondContact SG-SG 2.9Å; C187-C190 WeakPolarHBondContact O-CB 3.15Å; C187-C190 PolarHBondContact O-N 2.89Å; C190-F203 HydrophobicContact CB-CD2 4.39Å; C190-F203 HydrophobicContact CB-CE2 4.03Å; C190-F203 WeakPolarHBondContact O-CE2 3.25Å; C190-C204 HydrophobicContact CB-CB 4.12Å; C190-E210 WeakPolarHBondContact CB-OE2 3.4Å
191	Q	95.8	Very high	88.6	Confident	112 Å²	112	85.5 Å²	85.5	52%	0.523	42%	0.418	S	S	.	.			trans	-120.8	4.9	-167.8	-62.5	-62.5	-40.6	0	0	113.5	L189 E210 P211 F212	L189-Q191 PolarHBondContact O-NE2 3.12Å; Q191-E210 PolarHBondContact N-OE1 2.89Å; Q191-E210 PolarHBondContact N-OE2 2.99Å; Q191-P211 HydrophobicContact CB-CG 4.26Å; Q191-F212 HydrophobicContact CB-CE2 4.43Å; Q191-F212 HydrophobicContact CG-CD2 3.95Å; Q191-F212 HydrophobicContact CG-CE2 3.42Å; Q191-F212 VanDerWaalsContact CG-CE2 3.42Å; Q191-F212 HydrophobicContact CG-CZ 3.8Å
192	G	91.8	Very high	88.8	Confident	6 Å²	6	80.3 Å²	80.3	6%	0.062	39%	0.386	C	S	.	.	S	Bend	trans	-60.4	148.8	174.8	0	0	0	0	0	112.2	K194 E210	G192-K194 PolarHBondContact O-N 3.37Å; G192-E210 VanDerWaalsContact CA-OE2 3.28Å; G192-E210 WeakPolarHBondContact CA-OE2 3.36Å; G192-E210 PolarHBondContact N-OE1 2.96Å; G192-E210 PolarHBondContact N-OE2 3.17Å
193	Q	89.4	Confident	89	Confident	126 Å²	126	79.8 Å²	79.8	59%	0.589	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-62.5	125.4	-177.5	-175	177.2	6	0	0	111.3	N201 Y202 F203	Q193-N201 PolarHBondContact O-OD1 3.25Å; Q193-Y202 HydrophobicContact CB-CD2 4.11Å; Q193-Y202 PolarHBondContact O-N 3.31Å; Q193-F203 PolarHBondContact O-N 3.22Å
194	K	89.3	Confident	89.2	Confident	149 Å²	149	79.7 Å²	79.7	65%	0.648	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-81.2	131.2	173.1	-66.7	-179.7	-177.5	-179.3	0	110.5	G192 N201 F203	G192-K194 PolarHBondContact O-N 3.37Å; K194-N201 WeakPolarHBondContact CA-OD1 3.38Å; K194-F203 HydrophobicContact CD-CD2 4.25Å; K194-F203 HydrophobicContact CD-CG 4.34Å; K194-F203 VanDerWaalsContact CE-CZ 3.5Å; K194-F203 HydrophobicContact CG-CB 3.72Å; K194-F203 HydrophobicContact CG-CD1 4.4Å; K194-F203 HydrophobicContact CG-CD2 3.85Å; K194-F203 HydrophobicContact CG-CG 3.73Å
195	S	87	Confident	89.3	Confident	37 Å²	37	76.1 Å²	76.1	26%	0.259	36%	0.356	S	S	.	.			trans	-146.7	145.2	172.6	-166.9	0	0	0	0	111.3	V197 K200 N201	S195-V197 PolarHBondContact OG-N 3.48Å; S195-K200 VanDerWaalsContact CB-O 3.28Å; S195-K200 WeakPolarHBondContact CB-O 3.32Å; S195-N201 PolarHBondContact N-OD1 3.35Å; S195-N201 WeakPolarHBondContact O-CB 3.14Å
196	Y	83.1	Confident	89.3	Confident	247 Å²	247	73.5 Å²	73.5	97%	0.969	34%	0.339	S	S	*	.	S	Bend	trans	-72.2	-19.7	167.9	-64.1	-76.5	0	0	0	112.2	R198	Y196-R198 PolarHBondContact O-N 3.12Å
197	V	83.9	Confident	89	Confident	72 Å²	72	73.5 Å²	73.5	44%	0.436	34%	0.339	S	S	.	.	S	Bend	trans	-82.6	109.9	173	179.8	0	0	0	0	107.9	S195 Q199 K200 N201	S195-V197 PolarHBondContact OG-N 3.48Å; V197-Q199 PolarHBondContact O-N 2.95Å; V197-Q199 VanDerWaalsContact O-N 3.1Å; V197-K200 HydrophobicContact CB-CB 4.34Å; V197-K200 HydrophobicContact CB-CG 4.49Å; V197-K200 HydrophobicContact CG1-CB 4.47Å; V197-K200 HydrophobicContact CG1-CD 4.38Å; V197-K200 HydrophobicContact CG1-CG 4.19Å; V197-K200 CarbonylContact O-C 3.54Å; V197-K200 WeakPolarHBondContact O-CA 3.45Å; V197-K200 PolarHBondContact O-N 2.7Å; V197-N201 PolarHBondContact O-N 3.38Å
198	R	73.4	Confident	88.7	Confident	206 Å²	206	74.3 Å²	74.3	78%	0.777	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-50.5	-40	-174.3	-172.6	177.2	178.5	177.7	0.3	113.4	Y196 K200 N201	Y196-R198 PolarHBondContact O-N 3.12Å; R198-K200 PolarHBondContact O-N 3.24Å; R198-N201 PolarHBondContact O-N 3.21Å
199	Q	75.1	Confident	88.3	Confident	150 Å²	150	72.3 Å²	72.3	70%	0.701	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-72.3	-10.7	-179.5	-58.2	85.8	-7.6	0	0	114.3	V197	V197-Q199 PolarHBondContact O-N 2.95Å; V197-Q199 VanDerWaalsContact O-N 3.1Å
200	K	81.1	Confident	88.1	Confident	128 Å²	128	71.3 Å²	71.3	56%	0.557	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-116.6	7	178.7	-61	-175.7	177.7	-177.5	0	111.9	S195 V197 R198	S195-K200 VanDerWaalsContact CB-O 3.28Å; S195-K200 WeakPolarHBondContact CB-O 3.32Å; V197-K200 HydrophobicContact CB-CB 4.34Å; V197-K200 HydrophobicContact CB-CG 4.49Å; V197-K200 HydrophobicContact CG1-CB 4.47Å; V197-K200 HydrophobicContact CG1-CD 4.38Å; V197-K200 HydrophobicContact CG1-CG 4.19Å; V197-K200 CarbonylContact O-C 3.54Å; V197-K200 WeakPolarHBondContact O-CA 3.45Å; V197-K200 PolarHBondContact O-N 2.7Å; R198-K200 PolarHBondContact O-N 3.24Å
201	N	84.5	Confident	88	Confident	59 Å²	59	72.9 Å²	72.9	32%	0.316	33%	0.334	S	S	.	.			trans	-96.8	105.8	177.3	-170.2	18.9	0	0	0	108.6	Q193 K194 S195 V197 R198 F203	Q193-N201 PolarHBondContact O-OD1 3.25Å; K194-N201 WeakPolarHBondContact CA-OD1 3.38Å; S195-N201 PolarHBondContact N-OD1 3.35Å; S195-N201 WeakPolarHBondContact O-CB 3.14Å; V197-N201 PolarHBondContact O-N 3.38Å; R198-N201 PolarHBondContact O-N 3.21Å; N201-F203 WeakPolarHBondContact OD1-CB 3.31Å
202	Y	88.6	Confident	88	Confident	58 Å²	58	67.7 Å²	67.7	23%	0.227	31%	0.31	C	S	.	.			trans	-106.6	2.4	-179.6	-52	-54	0	0	0	112.2	Q193 C204 E205 N209	Q193-Y202 HydrophobicContact CB-CD2 4.11Å; Q193-Y202 PolarHBondContact O-N 3.31Å; Y202-C204 PolarHBondContact O-N 3.08Å; Y202-E205 WeakPolarHBondContact CD1-OE2 3.34Å; Y202-E205 PolarHBondContact O-N 3.24Å; Y202-N209 HydrophobicContact CD1-CB 3.64Å; Y202-N209 VanDerWaalsContact CD1-ND2 3.33Å; Y202-N209 WeakPolarHBondContact CD1-ND2 3.12Å; Y202-N209 HydrophobicContact CD2-CB 4.07Å; Y202-N209 HydrophobicContact CE1-CB 4.3Å; Y202-N209 WeakPolarHBondContact CE1-ND2 3.4Å; Y202-N209 HydrophobicContact CG-CB 3.5Å; Y202-N209 VanDerWaalsContact CG-CB 3.5Å
203	F	91.8	Very high	88.1	Confident	45 Å²	45	68.2 Å²	68.2	20%	0.197	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	119.5	-179.9	179.1	-106.5	0	0	0	111	C187 C190 Q193 K194 N201 E205	C187-F203 HydrophobicContact CB-CE1 3.79Å; C187-F203 HydrophobicContact CB-CZ 3.94Å; C187-F203 WeakPolarHBondContact O-CZ 3.32Å; C190-F203 HydrophobicContact CB-CD2 4.39Å; C190-F203 HydrophobicContact CB-CE2 4.03Å; C190-F203 WeakPolarHBondContact O-CE2 3.25Å; Q193-F203 PolarHBondContact O-N 3.22Å; K194-F203 HydrophobicContact CD-CD2 4.25Å; K194-F203 HydrophobicContact CD-CG 4.34Å; K194-F203 VanDerWaalsContact CE-CZ 3.5Å; K194-F203 HydrophobicContact CG-CB 3.72Å; K194-F203 HydrophobicContact CG-CD1 4.4Å; K194-F203 HydrophobicContact CG-CD2 3.85Å; K194-F203 HydrophobicContact CG-CG 3.73Å; N201-F203 WeakPolarHBondContact OD1-CB 3.31Å; F203-E205 PolarHBondContact O-N 3.1Å
204	C	93.5	Very high	88.4	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	30.9	177.8	-157.4	0	0	0	0	113.3	V176 G178 A180 C187 C190 Y202 E210	V176-C204 PolarHBondContact O-SG 2.84Å; G178-C204 PolarHBondContact N-O 3.11Å; A180-C204 HydrophobicContact CB-CB 4.37Å; C187-C204 HydrophobicContact CB-CB 3.48Å; C187-C204 VanDerWaalsContact CB-CB 3.48Å; C187-C204 WeakPolarHBondContact CB-SG 3.11Å; C187-C204 WeakPolarHBondContact SG-CB 3.47Å; C187-C204 CovalentContact SG-SG 2.03Å; C187-C204 PolarHBondContact SG-SG 3.11Å; C190-C204 HydrophobicContact CB-CB 4.12Å; Y202-C204 PolarHBondContact O-N 3.08Å; C204-E210 PolarHBondContact N-OE2 3.35Å
205	E	91.5	Very high	88.6	Confident	26 Å²	26	55.4 Å²	55.4	12%	0.121	25%	0.253	C	S	.	.			trans	-82.4	147.9	177.1	-168.9	174.8	-121.9	0	0	110.9	S63 Y202 F203 S207 E210	S63-E205 VanDerWaalsContact CB-OE1 3.29Å; S63-E205 WeakPolarHBondContact CB-OE1 3.44Å; S63-E205 WeakPolarHBondContact O-CG 3.46Å; Y202-E205 WeakPolarHBondContact CD1-OE2 3.34Å; Y202-E205 PolarHBondContact O-N 3.24Å; F203-E205 PolarHBondContact O-N 3.1Å; E205-S207 PolarHBondContact O-N 2.68Å; E205-S207 PolarHBondContact OE2-OG 2.94Å; E205-E210 WeakPolarHBondContact O-CB 3.46Å
206	S	91.7	Very high	89	Confident	7 Å²	7	55.2 Å²	55.2	5%	0.049	25%	0.248	C	C	.	.	S	Bend	trans	-79.2	57.2	170.9	58.4	0	0	0	0	111.8	S64 T65 Y213	S64-S206 VanDerWaalsContact CB-OG 3.32Å; S64-S206 WeakPolarHBondContact CB-OG 3.12Å; T65-S206 PolarHBondContact N-OG 3.2Å; T65-S206 PolarHBondContact OG1-OG 3.44Å; S206-Y213 VanDerWaalsContact C-CE2 3.49Å; S206-Y213 VanDerWaalsContact CA-CE2 3.5Å
207	S	90.5	Very high	89.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-146.3	159.3	179.6	80.1	0	0	0	0	111.8	V27 E205 N209 E210 Y213	V27-S207 WeakPolarHBondContact O-CB 3.01Å; E205-S207 PolarHBondContact O-N 2.68Å; E205-S207 PolarHBondContact OE2-OG 2.94Å; S207-N209 PolarHBondContact O-N 3.5Å; S207-N209 WeakPolarHBondContact OG-CB 3.48Å; S207-N209 PolarHBondContact OG-N 3.29Å; S207-E210 PolarHBondContact O-N 2.74Å; S207-Y213 WeakPolarHBondContact O-CB 3.4Å; S207-Y213 WeakPolarHBondContact O-CD1 3.32Å
208	H	89.8	Confident	90.2	Very high	19 Å²	19	40.1 Å²	40.1	9%	0.088	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-3.6	174	-59.2	79.8	0	0	0	114.6	S28 E210 N214 E317 S318	S28-H208 PolarHBondContact OG-ND1 3.37Å; S28-H208 VanDerWaalsContact OG-ND1 3.13Å; H208-E210 VanDerWaalsContact C-N 3.28Å; H208-N214 PolarHBondContact NE2-ND2 3.4Å; H208-E317 IonicContact CD2-OE2 3.67Å; H208-S318 PolarHBondContact NE2-O 3.4Å
209	N	88.4	Confident	91.3	Very high	42 Å²	42	30.5 Å²	30.5	23%	0.225	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.6	170.5	-63.8	-33.4	0	0	0	112.3	R61 Y202 S207 P211	R61-N209 PolarHBondContact NH2-ND2 3.24Å; Y202-N209 HydrophobicContact CD1-CB 3.64Å; Y202-N209 VanDerWaalsContact CD1-ND2 3.33Å; Y202-N209 WeakPolarHBondContact CD1-ND2 3.12Å; Y202-N209 HydrophobicContact CD2-CB 4.07Å; Y202-N209 HydrophobicContact CE1-CB 4.3Å; Y202-N209 WeakPolarHBondContact CE1-ND2 3.4Å; Y202-N209 HydrophobicContact CG-CB 3.5Å; Y202-N209 VanDerWaalsContact CG-CB 3.5Å; S207-N209 PolarHBondContact O-N 3.5Å; S207-N209 WeakPolarHBondContact OG-CB 3.48Å; S207-N209 PolarHBondContact OG-N 3.29Å; N209-P211 WeakPolarHBondContact O-CD 3.2Å
210	E	92.9	Very high	92.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.125	C	C	.	.	S	Bend	trans	-86.4	112.9	164.7	170.6	53.3	-114.9	0	0	108.7	P177 C190 Q191 G192 C204 E205 S207 H208 F212 Y213	P177-E210 HydrophobicContact CG-CG 4.36Å; C190-E210 WeakPolarHBondContact CB-OE2 3.4Å; Q191-E210 PolarHBondContact N-OE1 2.89Å; Q191-E210 PolarHBondContact N-OE2 2.99Å; G192-E210 VanDerWaalsContact CA-OE2 3.28Å; G192-E210 WeakPolarHBondContact CA-OE2 3.36Å; G192-E210 PolarHBondContact N-OE1 2.96Å; G192-E210 PolarHBondContact N-OE2 3.17Å; C204-E210 PolarHBondContact N-OE2 3.35Å; E205-E210 WeakPolarHBondContact O-CB 3.46Å; S207-E210 PolarHBondContact O-N 2.74Å; H208-E210 VanDerWaalsContact C-N 3.28Å; E210-F212 PolarHBondContact O-N 3.07Å; E210-F212 PolarHBondContact OE1-N 3.3Å; E210-Y213 VanDerWaalsContact O-CB 3.26Å; E210-Y213 WeakPolarHBondContact O-CB 3.36Å; E210-Y213 PolarHBondContact O-N 2.93Å
211	P	94.1	Very high	93	Very high	38 Å²	38	20.8 Å²	20.8	25%	0.247	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.5	-174.8	-26.8	36.2	0	0	0	115.5	Q191 N209 R220	Q191-P211 HydrophobicContact CB-CG 4.26Å; N209-P211 WeakPolarHBondContact O-CD 3.2Å; P211-R220 PolarHBondContact O-NH1 3.14Å
212	F	96.1	Very high	93.6	Very high	4 Å²	4	18 Å²	18	2%	0.018	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	10.6	177.4	-63.7	-21.6	0	0	0	113.8	C175 L189 Q191 E210 G217 A218 R220 C221 A226	C175-F212 HydrophobicContact CB-CB 4.49Å; C175-F212 HydrophobicContact CB-CD2 4.26Å; L189-F212 WeakPolarHBondContact O-CE2 3.42Å; Q191-F212 HydrophobicContact CB-CE2 4.43Å; Q191-F212 HydrophobicContact CG-CD2 3.95Å; Q191-F212 HydrophobicContact CG-CE2 3.42Å; Q191-F212 VanDerWaalsContact CG-CE2 3.42Å; Q191-F212 HydrophobicContact CG-CZ 3.8Å; E210-F212 PolarHBondContact O-N 3.07Å; E210-F212 PolarHBondContact OE1-N 3.3Å; F212-G217 CarbonylContact O-C 3.48Å; F212-A218 PolarHBondContact O-N 3.15Å; F212-R220 HydrophobicContact CD1-CB 4.45Å; F212-R220 HydrophobicContact CD1-CG 4.49Å; F212-R220 HydrophobicContact CE1-CG 4.25Å; F212-C221 HydrophobicContact CB-CB 4.11Å; F212-C221 HydrophobicContact CD1-CB 3.67Å; F212-C221 HydrophobicContact CD2-CB 3.68Å; F212-C221 VanDerWaalsContact CE1-CA 3.46Å; F212-C221 HydrophobicContact CE1-CB 3.91Å; F212-C221 HydrophobicContact CE2-CB 3.89Å; F212-C221 HydrophobicContact CG-CB 3.57Å; F212-C221 HydrophobicContact CZ-CB 4.02Å; F212-A226 HydrophobicContact CE2-CB 3.84Å; F212-A226 HydrophobicContact CZ-CB 4.01Å
213	Y	95.1	Very high	93.8	Very high	17 Å²	17	20 Å²	20	7%	0.067	9%	0.091	C	C	.	.			trans	-72	148.2	172.7	175.6	-113.3	0	0	0	113	W138 P177 S206 S207 E210 G217	W138-Y213 HydrophobicContact CH2-CE2 4.38Å; W138-Y213 AromaticContact CZ2-CE2 3.89Å; W138-Y213 HydrophobicContact CZ2-CE2 3.89Å; W138-Y213 AromaticContact CZ2-CZ 3.82Å; W138-Y213 WeakPolarHBondContact CZ2-OH 3.38Å; P177-Y213 HydrophobicContact CB-CD2 3.63Å; P177-Y213 HydrophobicContact CB-CG 4.44Å; P177-Y213 HydrophobicContact CG-CD2 4.13Å; S206-Y213 VanDerWaalsContact C-CE2 3.49Å; S206-Y213 VanDerWaalsContact CA-CE2 3.5Å; S207-Y213 WeakPolarHBondContact O-CB 3.4Å; S207-Y213 WeakPolarHBondContact O-CD1 3.32Å; E210-Y213 VanDerWaalsContact O-CB 3.26Å; E210-Y213 WeakPolarHBondContact O-CB 3.36Å; E210-Y213 PolarHBondContact O-N 2.93Å; Y213-G217 VanDerWaalsContact O-CA 3.24Å; Y213-G217 WeakPolarHBondContact O-CA 3.14Å; Y213-G217 PolarHBondContact O-N 3.15Å
214	N	94.3	Very high	94	Very high	4 Å²	4	26 Å²	26	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	68.2	179.2	-178.4	81.8	29.6	0	0	0	114.1	S134 W138 H208 Q216 G217 A218	S134-N214 VanDerWaalsContact O-CA 3.28Å; S134-N214 WeakPolarHBondContact O-CA 3.26Å; S134-N214 PolarHBondContact O-N 3.27Å; W138-N214 HydrophobicContact CH2-CB 3.88Å; W138-N214 HydrophobicContact CZ3-CB 4.17Å; H208-N214 PolarHBondContact NE2-ND2 3.4Å; N214-Q216 VanDerWaalsContact C-N 3.34Å; N214-Q216 PolarHBondContact O-N 2.96Å; N214-Q216 WeakPolarHBondContact OD1-CA 3.24Å; N214-Q216 WeakPolarHBondContact OD1-CB 3.32Å; N214-Q216 PolarHBondContact OD1-N 3Å; N214-G217 PolarHBondContact O-N 3.14Å; N214-G217 PolarHBondContact OD1-N 2.93Å; N214-A218 PolarHBondContact O-N 2.76Å
215	N	95.3	Very high	94	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-40.5	-178.6	-63.1	-56.5	0	0	0	113.1	S134 A218 L219 V232 D233 A236	S134-N215 WeakPolarHBondContact CB-OD1 3.46Å; N215-A218 PolarHBondContact O-N 3.06Å; N215-L219 WeakPolarHBondContact O-CG 3.43Å; N215-L219 PolarHBondContact O-N 2.59Å; N215-V232 HydrophobicContact CB-CB 4.18Å; N215-V232 HydrophobicContact CB-CG1 4.13Å; N215-D233 PolarHBondContact ND2-OD2 3.2Å; N215-D233 PolarHBondContact OD1-N 3.14Å; N215-D233 PolarHBondContact OD1-OD2 3.13Å; N215-A236 HydrophobicContact CB-CB 3.48Å; N215-A236 VanDerWaalsContact CB-CB 3.48Å
216	Q	93.8	Very high	94.3	Very high	33 Å²	33	27.4 Å²	27.4	15%	0.154	13%	0.133	C	C	.	.	H	α-helix	trans	-67.4	-37	177.2	-61.1	-56.1	-36.4	0	0	111.7	N214 R220 S239	N214-Q216 VanDerWaalsContact C-N 3.34Å; N214-Q216 PolarHBondContact O-N 2.96Å; N214-Q216 WeakPolarHBondContact OD1-CA 3.24Å; N214-Q216 WeakPolarHBondContact OD1-CB 3.32Å; N214-Q216 PolarHBondContact OD1-N 3Å; Q216-R220 VanDerWaalsContact O-CB 3.25Å; Q216-R220 WeakPolarHBondContact O-CB 3.31Å; Q216-R220 PolarHBondContact O-N 3.02Å; Q216-S239 PolarHBondContact NE2-OG 2.74Å; Q216-S239 PolarHBondContact OE1-OG 2.76Å
217	G	95.1	Very high	94.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-65.3	-41.8	172.7	0	0	0	0	0	112.9	F212 Y213 N214 R220 C221	F212-G217 CarbonylContact O-C 3.48Å; Y213-G217 VanDerWaalsContact O-CA 3.24Å; Y213-G217 WeakPolarHBondContact O-CA 3.14Å; Y213-G217 PolarHBondContact O-N 3.15Å; N214-G217 PolarHBondContact O-N 3.14Å; N214-G217 PolarHBondContact OD1-N 2.93Å; G217-R220 CarbonylContact O-C 3.6Å; G217-R220 WeakPolarHBondContact O-CB 3.44Å; G217-R220 PolarHBondContact O-N 3.01Å; G217-C221 WeakPolarHBondContact O-CB 3.35Å; G217-C221 PolarHBondContact O-N 3.01Å
218	A	97.4	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-42.6	175.8	0	0	0	0	0	112.2	C132 F212 N214 N215 R220 C221 L222 V232	C132-A218 HydrophobicContact CB-CB 4.35Å; F212-A218 PolarHBondContact O-N 3.15Å; N214-A218 PolarHBondContact O-N 2.76Å; N215-A218 PolarHBondContact O-N 3.06Å; A218-R220 VanDerWaalsContact C-N 3.3Å; A218-R220 PolarHBondContact O-N 3.12Å; A218-C221 WeakPolarHBondContact O-CB 3.37Å; A218-C221 PolarHBondContact O-N 3.34Å; A218-L222 PolarHBondContact O-N 3.36Å; A218-L222 VanDerWaalsContact O-N 3.12Å; A218-V232 HydrophobicContact CB-CG1 3.69Å
219	L	96	Very high	95.2	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-36.4	171.6	-71	176.5	0	0	0	112	V115 N215 L222 R223 V232 A236 I240	V115-L219 HydrophobicContact CB-CD2 4.25Å; V115-L219 HydrophobicContact CG1-CD2 4.28Å; V115-L219 HydrophobicContact CG2-CD2 4.2Å; N215-L219 WeakPolarHBondContact O-CG 3.43Å; N215-L219 PolarHBondContact O-N 2.59Å; L219-L222 PolarHBondContact O-N 2.92Å; L219-R223 WeakPolarHBondContact O-CB 3.49Å; L219-R223 PolarHBondContact O-N 2.97Å; L219-V232 HydrophobicContact CD2-CG1 4.44Å; L219-V232 HydrophobicContact CD2-CG2 4.16Å; L219-V232 HydrophobicContact CG-CG1 4.19Å; L219-V232 HydrophobicContact CG-CG2 4.45Å; L219-A236 HydrophobicContact CD1-CB 4.04Å; L219-I240 HydrophobicContact CD1-CD1 4.17Å; L219-I240 HydrophobicContact CD1-CG1 4.15Å; L219-I240 HydrophobicContact CD2-CD1 4.31Å
220	R	95.3	Very high	95.7	Very high	75 Å²	75	25.9 Å²	25.9	28%	0.283	13%	0.125	S	C	.	.	H	α-helix	trans	-65.4	-38.1	174.3	-171.6	-170.9	-59	177.5	-3.4	111.9	P211 F212 Q216 G217 A218 R223 R224	P211-R220 PolarHBondContact O-NH1 3.14Å; F212-R220 HydrophobicContact CD1-CB 4.45Å; F212-R220 HydrophobicContact CD1-CG 4.49Å; F212-R220 HydrophobicContact CE1-CG 4.25Å; Q216-R220 VanDerWaalsContact O-CB 3.25Å; Q216-R220 WeakPolarHBondContact O-CB 3.31Å; Q216-R220 PolarHBondContact O-N 3.02Å; G217-R220 CarbonylContact O-C 3.6Å; G217-R220 WeakPolarHBondContact O-CB 3.44Å; G217-R220 PolarHBondContact O-N 3.01Å; A218-R220 VanDerWaalsContact C-N 3.3Å; A218-R220 PolarHBondContact O-N 3.12Å; R220-R223 PolarHBondContact O-N 3.16Å; R220-R224 WeakPolarHBondContact O-CB 3.27Å; R220-R224 WeakPolarHBondContact O-CG 3.38Å; R220-R224 PolarHBondContact O-N 2.91Å
221	C	97.6	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-45.5	173.9	170.7	0	0	0	0	111.4	C132 F212 G217 A218 A226	C132-C221 HydrophobicContact CB-CB 3.58Å; C132-C221 WeakPolarHBondContact CB-SG 2.99Å; C132-C221 WeakPolarHBondContact SG-CB 3.27Å; C132-C221 CovalentContact SG-SG 2.04Å; C132-C221 PolarHBondContact SG-SG 3.05Å; F212-C221 HydrophobicContact CB-CB 4.11Å; F212-C221 HydrophobicContact CD1-CB 3.67Å; F212-C221 HydrophobicContact CD2-CB 3.68Å; F212-C221 VanDerWaalsContact CE1-CA 3.46Å; F212-C221 HydrophobicContact CE1-CB 3.91Å; F212-C221 HydrophobicContact CE2-CB 3.89Å; F212-C221 HydrophobicContact CG-CB 3.57Å; F212-C221 HydrophobicContact CZ-CB 4.02Å; G217-C221 WeakPolarHBondContact O-CB 3.35Å; G217-C221 PolarHBondContact O-N 3.01Å; A218-C221 WeakPolarHBondContact O-CB 3.37Å; A218-C221 PolarHBondContact O-N 3.34Å; C221-A226 WeakPolarHBondContact O-CB 3.26Å; C221-A226 PolarHBondContact O-N 3.42Å; C221-A226 VanDerWaalsContact O-N 3.08Å
222	L	96.4	Very high	96.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-48.9	173.8	-178.9	68.1	0	0	0	112.1	V115 T117 A218 L219 R224 G225 D228 A230 F248	V115-L222 HydrophobicContact CB-CD2 4.14Å; V115-L222 HydrophobicContact CG1-CD2 3.83Å; V115-L222 WeakPolarHBondContact O-CD2 3.43Å; T117-L222 HydrophobicContact CG2-CD1 4.23Å; T117-L222 HydrophobicContact CG2-CG 4.35Å; A218-L222 PolarHBondContact O-N 3.36Å; A218-L222 VanDerWaalsContact O-N 3.12Å; L219-L222 PolarHBondContact O-N 2.92Å; L222-R224 PolarHBondContact O-N 3.47Å; L222-G225 PolarHBondContact O-N 2.7Å; L222-D228 WeakPolarHBondContact CD1-O 3.03Å; L222-A230 HydrophobicContact CB-CB 3.93Å; L222-A230 HydrophobicContact CD2-CB 4.06Å; L222-F248 HydrophobicContact CD2-CD1 3.91Å; L222-F248 HydrophobicContact CD2-CE1 3.86Å; L222-F248 HydrophobicContact CG-CE1 4.17Å
223	R	94.1	Very high	96.1	Very high	99 Å²	99	24 Å²	24	37%	0.374	11%	0.113	S	C	.	.	H	α-helix	trans	-59.4	-32.6	-178.3	-170.7	-175.5	-75.7	116.7	-7.5	112.5	L219 R220 G225 E244 F248	L219-R223 WeakPolarHBondContact O-CB 3.49Å; L219-R223 PolarHBondContact O-N 2.97Å; R220-R223 PolarHBondContact O-N 3.16Å; R223-G225 VanDerWaalsContact C-N 3.27Å; R223-G225 PolarHBondContact O-N 3.29Å; R223-E244 IonicContact CZ-OE2 2.71Å; R223-E244 IonicContact NE-OE1 3.82Å; R223-E244 IonicContact NE-OE2 3.48Å; R223-E244 PolarHBondContact NE-OE2 2.85Å; R223-E244 VanDerWaalsContact NE-OE2 3.08Å; R223-E244 IonicContact NH2-OE2 3.86Å; R223-E244 PolarHBondContact NH2-OE2 2.95Å; R223-F248 HydrophobicContact CB-CZ 4.36Å; R223-F248 HydrophobicContact CG-CZ 4.38Å
224	R	94.9	Very high	96.1	Very high	170 Å²	170	23.6 Å²	23.6	64%	0.642	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.7	176.1	-71.1	-173.9	178.7	-168.7	-1.4	113.9	R220 L222 A226	R220-R224 WeakPolarHBondContact O-CB 3.27Å; R220-R224 WeakPolarHBondContact O-CG 3.38Å; R220-R224 PolarHBondContact O-N 2.91Å; L222-R224 PolarHBondContact O-N 3.47Å; R224-A226 PolarHBondContact O-N 2.85Å
225	G	94.8	Very high	96.1	Very high	39 Å²	39	24.3 Å²	24.3	40%	0.402	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	16.2	-176.8	0	0	0	0	0	114.1	R130 L222 R223	R130-G225 PolarHBondContact NH1-O 3.4Å; R130-G225 PolarHBondContact NH2-O 2.88Å; L222-G225 PolarHBondContact O-N 2.7Å; R223-G225 VanDerWaalsContact C-N 3.27Å; R223-G225 PolarHBondContact O-N 3.29Å
226	A	96.5	Very high	96	Very high	20 Å²	20	24.4 Å²	24.4	17%	0.165	12%	0.117	C	C	.	.	S	Bend	trans	-71.5	-39.3	177.3	0	0	0	0	0	111.1	R130 L189 F212 C221 R224	R130-A226 PolarHBondContact NH1-O 3.33Å; L189-A226 WeakPolarHBondContact CD1-O 3.11Å; F212-A226 HydrophobicContact CE2-CB 3.84Å; F212-A226 HydrophobicContact CZ-CB 4.01Å; C221-A226 WeakPolarHBondContact O-CB 3.26Å; C221-A226 PolarHBondContact O-N 3.42Å; C221-A226 VanDerWaalsContact O-N 3.08Å; R224-A226 PolarHBondContact O-N 2.85Å
227	G	96.8	Very high	96	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.031	11%	0.111	C	C	.	.			trans	-117.9	165.9	170.6	0	0	0	0	0	112.7
228	D	97.3	Very high	95.5	Very high	32 Å²	32	30.4 Å²	30.4	17%	0.171	15%	0.145	C	C	.	.	S	Bend	trans	-98.2	-26.4	179.4	-56.3	-55.9	0	0	0	112	L129 R130 L222	L129-D228 HydrophobicContact CB-CB 4.36Å; R130-D228 VanDerWaalsContact CB-OD2 3.28Å; R130-D228 WeakPolarHBondContact CB-OD2 3.4Å; R130-D228 IonicContact CZ-OD1 3.64Å; R130-D228 IonicContact CZ-OD2 3.6Å; R130-D228 PolarHBondContact N-OD2 2.81Å; R130-D228 IonicContact NE-OD1 2.7Å; R130-D228 IonicContact NE-OD2 3.61Å; R130-D228 PolarHBondContact NE-OD2 3.49Å; R130-D228 IonicContact NH2-OD1 3.82Å; R130-D228 PolarHBondContact NH2-OD1 3.35Å; R130-D228 IonicContact NH2-OD2 2.76Å; R130-D228 PolarHBondContact O-N 3.45Å; L222-D228 WeakPolarHBondContact CD1-O 3.03Å
229	V	97.8	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.6	176.1	61.5	0	0	0	0	111	A114 V115 V116 L126 R130 C132 F171 F231 L251	A114-V229 HydrophobicContact CB-CG2 4.02Å; V115-V229 WeakPolarHBondContact O-CA 3.47Å; V116-V229 HydrophobicContact CG1-CB 4.06Å; V116-V229 HydrophobicContact CG1-CG2 3.96Å; L126-V229 HydrophobicContact CD2-CB 4.42Å; L126-V229 HydrophobicContact CD2-CG1 4.24Å; R130-V229 PolarHBondContact O-N 3Å; C132-V229 PolarHBondContact N-O 2.92Å; F171-V229 HydrophobicContact CE1-CG1 4.43Å; V229-F231 HydrophobicContact CG1-CE2 3.92Å; V229-F231 HydrophobicContact CG1-CZ 4.16Å; V229-F231 HydrophobicContact CG2-CE1 4.26Å; V229-F231 HydrophobicContact CG2-CE2 4.28Å; V229-F231 HydrophobicContact CG2-CZ 4.04Å; V229-L251 HydrophobicContact CG2-CD1 4.47Å
230	A	98.3	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.3	170.1	0	0	0	0	0	111.7	V115 C132 L222	V115-A230 PolarHBondContact N-O 2.88Å; V115-A230 PolarHBondContact O-N 2.84Å; C132-A230 HydrophobicContact CB-CB 4.03Å; C132-A230 CarbonylContact O-C 3.57Å; C132-A230 VanDerWaalsContact O-CA 3.31Å; C132-A230 WeakPolarHBondContact O-CA 3.36Å; L222-A230 HydrophobicContact CB-CB 3.93Å; L222-A230 HydrophobicContact CD2-CB 4.06Å
231	F	98.4	Very high	93.9	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.7	173.2	-59	-78	0	0	0	110	A114 L126 C132 H133 S134 G141 P145 F171 V229 L268	A114-F231 HydrophobicContact CB-CD1 3.94Å; A114-F231 HydrophobicContact CB-CE1 3.79Å; L126-F231 HydrophobicContact CD1-CZ 4.17Å; C132-F231 PolarHBondContact O-N 2.95Å; H133-F231 AromaticContact CE1-CD2 3.31Å; H133-F231 WeakPolarHBondContact CE1-CD2 3.43Å; H133-F231 AromaticContact CE1-CE2 3.66Å; H133-F231 AromaticContact ND1-CD2 3.61Å; H133-F231 AromaticContact NE2-CD2 3.82Å; H133-F231 AromaticContact NE2-CE2 3.99Å; S134-F231 PolarHBondContact N-O 3.48Å; G141-F231 VanDerWaalsContact CA-O 3.32Å; G141-F231 WeakPolarHBondContact CA-O 2.99Å; P145-F231 HydrophobicContact CB-CD1 3.6Å; P145-F231 HydrophobicContact CB-CE1 3.88Å; P145-F231 HydrophobicContact CB-CG 4.03Å; P145-F231 HydrophobicContact CG-CB 3.85Å; P145-F231 HydrophobicContact CG-CD1 3.65Å; P145-F231 HydrophobicContact CG-CE1 4.42Å; P145-F231 HydrophobicContact CG-CG 3.89Å; F171-F231 AromaticContact CZ-CE2 3.88Å; F171-F231 HydrophobicContact CZ-CE2 3.88Å; F171-F231 HydrophobicContact CZ-CZ 4.14Å; V229-F231 HydrophobicContact CG1-CE2 3.92Å; V229-F231 HydrophobicContact CG1-CZ 4.16Å; V229-F231 HydrophobicContact CG2-CE1 4.26Å; V229-F231 HydrophobicContact CG2-CE2 4.28Å; V229-F231 HydrophobicContact CG2-CZ 4.04Å; F231-L268 HydrophobicContact CD1-CD1 3.96Å; F231-L268 HydrophobicContact CE1-CD1 3.82Å
232	V	97.7	Very high	93.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	169.6	-176.6	-62.8	0	0	0	0	110.3	V113 V115 N215 A218 L219 A236	V113-V232 HydrophobicContact CG2-CG2 3.84Å; V113-V232 WeakPolarHBondContact CG2-O 3.19Å; V113-V232 PolarHBondContact N-O 3.22Å; V113-V232 PolarHBondContact O-N 3.35Å; V113-V232 VanDerWaalsContact O-N 3.14Å; V115-V232 HydrophobicContact CG2-CG2 3.96Å; N215-V232 HydrophobicContact CB-CB 4.18Å; N215-V232 HydrophobicContact CB-CG1 4.13Å; A218-V232 HydrophobicContact CB-CG1 3.69Å; L219-V232 HydrophobicContact CD2-CG1 4.44Å; L219-V232 HydrophobicContact CD2-CG2 4.16Å; L219-V232 HydrophobicContact CG-CG1 4.19Å; L219-V232 HydrophobicContact CG-CG2 4.45Å; V232-A236 HydrophobicContact CB-CB 4.36Å; V232-A236 HydrophobicContact CG2-CB 4.42Å
233	D	95.7	Very high	92.6	Very high	2 Å²	2	43 Å²	43	1%	0.011	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	156.8	164	57.1	68.2	0	0	0	113	V110 L111 A140 N215 L235 A236 R323	V110-D233 HydrophobicContact CB-CB 3.95Å; V110-D233 HydrophobicContact CG1-CB 4.42Å; V110-D233 HydrophobicContact CG2-CB 4.39Å; L111-D233 CarbonylContact O-C 3.25Å; L111-D233 VanDerWaalsContact O-CA 3.25Å; L111-D233 WeakPolarHBondContact O-CA 3.28Å; A140-D233 HydrophobicContact CB-CB 3.54Å; N215-D233 PolarHBondContact ND2-OD2 3.2Å; N215-D233 PolarHBondContact OD1-N 3.14Å; N215-D233 PolarHBondContact OD1-OD2 3.13Å; D233-L235 PolarHBondContact O-N 3.13Å; D233-L235 VanDerWaalsContact OD1-CB 3.32Å; D233-L235 WeakPolarHBondContact OD1-CB 3.28Å; D233-L235 PolarHBondContact OD1-N 3.36Å; D233-L235 VanDerWaalsContact OD1-N 3.16Å; D233-A236 WeakPolarHBondContact O-CB 3Å; D233-A236 PolarHBondContact O-N 2.99Å; D233-A236 PolarHBondContact OD1-N 3.22Å; D233-R323 IonicContact OD1-NH1 3.37Å; D233-R323 IonicContact OD2-CZ 3.77Å; D233-R323 VanDerWaalsContact OD2-CZ 3.25Å; D233-R323 IonicContact OD2-NH1 2.91Å; D233-R323 PolarHBondContact OD2-NH1 3.35Å; D233-R323 IonicContact OD2-NH2 3.75Å; D233-R323 PolarHBondContact OD2-NH2 3.17Å
234	H	95.4	Very high	92.1	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.042	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.8	177.5	73.7	-59.7	0	0	0	114.8	L111 V113 A236 L237 Y263	L111-H234 HydrophobicContact CB-CB 4.18Å; L111-H234 PolarHBondContact N-ND1 2.79Å; L111-H234 VanDerWaalsContact N-ND1 3.15Å; L111-H234 PolarHBondContact O-N 3.09Å; V113-H234 HydrophobicContact CG1-CB 4.37Å; H234-A236 PolarHBondContact O-N 2.67Å; H234-L237 HydrophobicContact CB-CD1 4.47Å; H234-L237 WeakPolarHBondContact O-CB 3.49Å; H234-L237 WeakPolarHBondContact O-CG 3.25Å; H234-L237 PolarHBondContact O-N 3.31Å; H234-L237 VanDerWaalsContact O-N 3.16Å; H234-Y263 HydrophobicContact CB-CD2 3.75Å; H234-Y263 HydrophobicContact CB-CE2 4.32Å; H234-Y263 HydrophobicContact CB-CG 3.92Å; H234-Y263 AromaticContact CD2-CD2 3.71Å; H234-Y263 AromaticContact CD2-CE2 3.4Å; H234-Y263 WeakPolarHBondContact CD2-CE2 3.43Å; H234-Y263 AromaticContact CD2-CZ 3.94Å; H234-Y263 AromaticContact CG-CD2 3.98Å
235	L	93.7	Very high	91.5	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.105	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-68	-28.8	-179.9	-55.7	171.4	0	0	0	110.7	Y104 V110 D233 L237 E238 A325	Y104-L235 HydrophobicContact CD1-CD1 3.58Å; Y104-L235 HydrophobicContact CD2-CD1 3.87Å; Y104-L235 HydrophobicContact CE1-CD1 3.85Å; Y104-L235 HydrophobicContact CE2-CD1 4.1Å; Y104-L235 HydrophobicContact CG-CD1 3.61Å; V110-L235 HydrophobicContact CG1-CD1 3.91Å; D233-L235 PolarHBondContact O-N 3.13Å; D233-L235 VanDerWaalsContact OD1-CB 3.32Å; D233-L235 WeakPolarHBondContact OD1-CB 3.28Å; D233-L235 PolarHBondContact OD1-N 3.36Å; D233-L235 VanDerWaalsContact OD1-N 3.16Å; L235-L237 PolarHBondContact O-N 2.94Å; L235-E238 PolarHBondContact O-N 3.36Å; L235-A325 HydrophobicContact CB-CB 4.09Å; L235-A325 HydrophobicContact CD1-CB 3.95Å; L235-A325 HydrophobicContact CD2-CB 4.4Å; L235-A325 HydrophobicContact CG-CB 4.38Å
236	A	93.4	Very high	91.1	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.033	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-67.8	-18.4	176.4	0	0	0	0	0	113.6	N215 L219 V232 D233 H234 E238 S239	N215-A236 HydrophobicContact CB-CB 3.48Å; N215-A236 VanDerWaalsContact CB-CB 3.48Å; L219-A236 HydrophobicContact CD1-CB 4.04Å; V232-A236 HydrophobicContact CB-CB 4.36Å; V232-A236 HydrophobicContact CG2-CB 4.42Å; D233-A236 WeakPolarHBondContact O-CB 3Å; D233-A236 PolarHBondContact O-N 2.99Å; D233-A236 PolarHBondContact OD1-N 3.22Å; H234-A236 PolarHBondContact O-N 2.67Å; A236-E238 PolarHBondContact O-N 2.91Å; A236-S239 PolarHBondContact O-N 3.26Å; A236-S239 PolarHBondContact O-OG 3.32Å
237	L	92.5	Very high	90.8	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-65.8	-24.7	178.9	-57.8	179.9	0	0	0	112.1	V113 V115 H234 L235 S239 I240 L250 L260 Y263	V113-L237 HydrophobicContact CG2-CD1 4.43Å; V113-L237 HydrophobicContact CG2-CD2 4.39Å; V115-L237 HydrophobicContact CG2-CD2 3.84Å; H234-L237 HydrophobicContact CB-CD1 4.47Å; H234-L237 WeakPolarHBondContact O-CB 3.49Å; H234-L237 WeakPolarHBondContact O-CG 3.25Å; H234-L237 PolarHBondContact O-N 3.31Å; H234-L237 VanDerWaalsContact O-N 3.16Å; L235-L237 PolarHBondContact O-N 2.94Å; L237-S239 PolarHBondContact O-N 3.28Å; L237-I240 HydrophobicContact CD2-CD1 4.06Å; L237-I240 WeakPolarHBondContact O-CB 3.4Å; L237-I240 PolarHBondContact O-N 3.48Å; L237-I240 VanDerWaalsContact O-N 3.13Å; L237-L250 HydrophobicContact CD1-CD2 4.37Å; L237-L260 HydrophobicContact CD1-CB 4.45Å; L237-L260 HydrophobicContact CD2-CD2 4.19Å; L237-Y263 HydrophobicContact CD1-CD1 4.14Å; L237-Y263 HydrophobicContact CD1-CG 4.39Å
238	E	86.4	Confident	90.7	Very high	153 Å²	153	44.3 Å²	44.3	72%	0.715	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.4	176.4	-63.9	-174.8	174.4	0	0	113.2	L235 A236 I240	L235-E238 PolarHBondContact O-N 3.36Å; A236-E238 PolarHBondContact O-N 2.91Å; E238-I240 VanDerWaalsContact C-N 3.3Å
239	S	83.1	Confident	90.6	Very high	46 Å²	46	46.7 Å²	46.7	32%	0.322	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-82	-10.1	177.8	76.2	0	0	0	0	113.7	Q216 A236 L237 N241	Q216-S239 PolarHBondContact NE2-OG 2.74Å; Q216-S239 PolarHBondContact OE1-OG 2.76Å; A236-S239 PolarHBondContact O-N 3.26Å; A236-S239 PolarHBondContact O-OG 3.32Å; L237-S239 PolarHBondContact O-N 3.28Å; S239-N241 PolarHBondContact O-N 2.9Å
240	I	86.2	Confident	90.6	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	-78.6	119	176.4	-58.4	176.2	0	0	0	107.2	L219 L237 E238 A242 E244 W245 F248 L260	L219-I240 HydrophobicContact CD1-CD1 4.17Å; L219-I240 HydrophobicContact CD1-CG1 4.15Å; L219-I240 HydrophobicContact CD2-CD1 4.31Å; L237-I240 HydrophobicContact CD2-CD1 4.06Å; L237-I240 WeakPolarHBondContact O-CB 3.4Å; L237-I240 PolarHBondContact O-N 3.48Å; L237-I240 VanDerWaalsContact O-N 3.13Å; E238-I240 VanDerWaalsContact C-N 3.3Å; I240-A242 PolarHBondContact O-N 3.16Å; I240-E244 HydrophobicContact CG2-CB 3.91Å; I240-W245 PolarHBondContact O-NE1 3.43Å; I240-F248 HydrophobicContact CD1-CD2 4.46Å; I240-F248 HydrophobicContact CG2-CD2 4.05Å; I240-F248 HydrophobicContact CG2-CE2 4.3Å; I240-L260 HydrophobicContact CD1-CD1 3.71Å; I240-L260 HydrophobicContact CG2-CD1 4.34Å
241	N	85.7	Confident	90.5	Very high	104 Å²	104	46.8 Å²	46.8	56%	0.556	26%	0.258	S	S	*	.			trans	-59.1	138.7	178.5	-70.4	-35.8	0	0	0	110.3	S239 S243 E244	S239-N241 PolarHBondContact O-N 2.9Å; N241-S243 PolarHBondContact O-N 2.88Å; N241-E244 HydrophobicContact CB-CG 4.42Å; N241-E244 WeakPolarHBondContact O-CA 3.48Å; N241-E244 WeakPolarHBondContact O-CB 3.41Å; N241-E244 PolarHBondContact O-N 3.22Å
242	A	82.4	Confident	90.4	Very high	84 Å²	84	47 Å²	47	69%	0.694	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-49.7	-33.4	-179.1	0	0	0	0	0	114	I240 E244 W245	I240-A242 PolarHBondContact O-N 3.16Å; A242-E244 VanDerWaalsContact C-N 3.27Å; A242-E244 PolarHBondContact O-N 3.34Å; A242-W245 VanDerWaalsContact CA-CD1 3.43Å; A242-W245 PolarHBondContact O-N 3.11Å
243	S	82.9	Confident	90	Very high	103 Å²	103	48.8 Å²	48.8	72%	0.72	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-67.3	-21.9	176.4	58.4	0	0	0	0	114.8	N241	N241-S243 PolarHBondContact O-N 2.88Å
244	E	84.1	Confident	89.6	Confident	52 Å²	52	54 Å²	54	24%	0.243	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-95.3	-6.3	179.2	-62.3	-173	160.5	0	0	112.7	R223 I240 N241 A242 D246 S247 F248	R223-E244 IonicContact CZ-OE2 2.71Å; R223-E244 IonicContact NE-OE1 3.82Å; R223-E244 IonicContact NE-OE2 3.48Å; R223-E244 PolarHBondContact NE-OE2 2.85Å; R223-E244 VanDerWaalsContact NE-OE2 3.08Å; R223-E244 IonicContact NH2-OE2 3.86Å; R223-E244 PolarHBondContact NH2-OE2 2.95Å; I240-E244 HydrophobicContact CG2-CB 3.91Å; N241-E244 HydrophobicContact CB-CG 4.42Å; N241-E244 WeakPolarHBondContact O-CA 3.48Å; N241-E244 WeakPolarHBondContact O-CB 3.41Å; N241-E244 PolarHBondContact O-N 3.22Å; A242-E244 VanDerWaalsContact C-N 3.27Å; A242-E244 PolarHBondContact O-N 3.34Å; E244-D246 VanDerWaalsContact C-N 3.28Å; E244-D246 PolarHBondContact O-N 2.8Å; E244-S247 VanDerWaalsContact O-CB 3.27Å; E244-S247 WeakPolarHBondContact O-CB 3.35Å; E244-S247 PolarHBondContact O-N 3.41Å; E244-F248 HydrophobicContact CB-CD2 4.46Å; E244-F248 HydrophobicContact CB-CE2 4.15Å; E244-F248 WeakPolarHBondContact O-CD2 3.49Å
245	W	82.9	Confident	89.4	Confident	94 Å²	94	54.1 Å²	54.1	36%	0.356	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-59.4	-39.3	-172.5	-81.5	38.7	0	0	0	112.5	I240 A242 S247 F248 L260	I240-W245 PolarHBondContact O-NE1 3.43Å; A242-W245 VanDerWaalsContact CA-CD1 3.43Å; A242-W245 PolarHBondContact O-N 3.11Å; W245-S247 PolarHBondContact O-N 2.95Å; W245-F248 PolarHBondContact O-N 3.41Å; W245-L260 HydrophobicContact CD2-CD1 4.48Å; W245-L260 HydrophobicContact CE3-CB 4.26Å; W245-L260 HydrophobicContact CG-CD1 4.44Å; W245-L260 HydrophobicContact CZ3-CB 4.4Å
246	D	85.6	Confident	89.3	Confident	135 Å²	135	55.5 Å²	55.5	72%	0.722	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-72.3	-12.2	179	-62.9	-34.9	0	0	0	113.5	N118 E244 F248	N118-D246 PolarHBondContact ND2-O 3.12Å; E244-D246 VanDerWaalsContact C-N 3.28Å; E244-D246 PolarHBondContact O-N 2.8Å; D246-F248 VanDerWaalsContact C-N 3.34Å
247	S	90.8	Very high	89.4	Confident	66 Å²	66	58.1 Å²	58.1	46%	0.462	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-83.8	-12.3	176.6	-57.4	0	0	0	0	112.7	T117 N118 E244 W245	T117-S247 CarbonylContact C-O 3.33Å; T117-S247 WeakPolarHBondContact CA-O 3.25Å; N118-S247 PolarHBondContact N-O 3.33Å; E244-S247 VanDerWaalsContact O-CB 3.27Å; E244-S247 WeakPolarHBondContact O-CB 3.35Å; E244-S247 PolarHBondContact O-N 3.41Å; W245-S247 PolarHBondContact O-N 2.95Å
248	F	94.8	Very high	89.5	Confident	12 Å²	12	58.4 Å²	58.4	5%	0.053	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.1	-176.9	-62.2	-71.7	0	0	0	112.1	V115 V116 T117 L222 R223 I240 E244 W245 D246 L260	V115-F248 HydrophobicContact CG1-CB 4.05Å; V115-F248 HydrophobicContact CG1-CD1 4.13Å; V115-F248 HydrophobicContact CG1-CG 4.33Å; V116-F248 CarbonylContact O-C 3.57Å; V116-F248 VanDerWaalsContact O-CA 3.28Å; V116-F248 WeakPolarHBondContact O-CA 3.27Å; T117-F248 HydrophobicContact CG2-CE1 4.25Å; L222-F248 HydrophobicContact CD2-CD1 3.91Å; L222-F248 HydrophobicContact CD2-CE1 3.86Å; L222-F248 HydrophobicContact CG-CE1 4.17Å; R223-F248 HydrophobicContact CB-CZ 4.36Å; R223-F248 HydrophobicContact CG-CZ 4.38Å; I240-F248 HydrophobicContact CD1-CD2 4.46Å; I240-F248 HydrophobicContact CG2-CD2 4.05Å; I240-F248 HydrophobicContact CG2-CE2 4.3Å; E244-F248 HydrophobicContact CB-CD2 4.46Å; E244-F248 HydrophobicContact CB-CE2 4.15Å; E244-F248 WeakPolarHBondContact O-CD2 3.49Å; W245-F248 PolarHBondContact O-N 3.41Å; D246-F248 VanDerWaalsContact C-N 3.34Å; F248-L260 HydrophobicContact CB-CD1 4.12Å; F248-L260 HydrophobicContact CB-CD2 4.14Å; F248-L260 HydrophobicContact CB-CG 4.38Å
249	R	95.6	Very high	89.9	Confident	83 Å²	83	53.6 Å²	53.6	31%	0.313	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.8	177.5	-62.8	-68.9	-165.4	165.5	1.8	109.9	V115 V116 N118 Q257	V115-R249 WeakPolarHBondContact CA-O 3.23Å; V116-R249 HydrophobicContact CG2-CB 4.02Å; V116-R249 PolarHBondContact N-O 3.46Å; V116-R249 PolarHBondContact O-N 2.82Å; N118-R249 HydrophobicContact CB-CG 4.43Å; N118-R249 PolarHBondContact OD1-NE 2.74Å; R249-Q257 HydrophobicContact CB-CB 4.41Å
250	L	96.9	Very high	90.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.9	168	-57.4	-179.5	0	0	0	109.2	V113 A114 V115 L237 Q257 A258 L260 C266	V113-L250 HydrophobicContact CB-CD2 4.06Å; V113-L250 HydrophobicContact CG1-CD2 4.45Å; V113-L250 HydrophobicContact CG2-CD2 4.45Å; A114-L250 CarbonylContact O-C 3.26Å; A114-L250 WeakPolarHBondContact O-CA 3.39Å; V115-L250 HydrophobicContact CG2-CD2 4.12Å; L237-L250 HydrophobicContact CD1-CD2 4.37Å; L250-Q257 WeakPolarHBondContact O-CA 3.43Å; L250-A258 PolarHBondContact N-O 2.84Å; L250-A258 PolarHBondContact O-N 2.79Å; L250-L260 HydrophobicContact CD2-CD2 3.6Å; L250-L260 HydrophobicContact CG-CD2 3.99Å; L250-C266 HydrophobicContact CB-CB 4.46Å; L250-C266 WeakPolarHBondContact CB-SG 3.38Å; L250-C266 HydrophobicContact CD1-CB 4.24Å
251	L	96.4	Very high	90.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.4	163.7	-64.3	-175	0	0	0	109.5	A114 V116 L121 V123 L126 V229 Q257	A114-L251 HydrophobicContact CB-CB 4.02Å; A114-L251 PolarHBondContact O-N 2.97Å; V116-L251 HydrophobicContact CG1-CD1 3.65Å; V116-L251 HydrophobicContact CG1-CD2 4.07Å; V116-L251 HydrophobicContact CG1-CG 3.6Å; V116-L251 HydrophobicContact CG2-CD2 3.83Å; V116-L251 HydrophobicContact CG2-CG 4.05Å; L121-L251 HydrophobicContact CB-CD2 4.24Å; L121-L251 HydrophobicContact CD2-CD1 4.13Å; L121-L251 HydrophobicContact CG-CD1 4.41Å; L121-L251 WeakPolarHBondContact O-CD2 3.45Å; V123-L251 HydrophobicContact CB-CB 4.35Å; L126-L251 HydrophobicContact CD2-CD1 3.87Å; V229-L251 HydrophobicContact CG2-CD1 4.47Å; L251-Q257 HydrophobicContact CD2-CG 3.92Å
252	C	95.3	Very high	91.2	Very high	6 Å²	6	54 Å²	54	4%	0.041	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-95.9	154.4	-176.3	-53.8	0	0	0	0	111.9	V123 D254 G255 S256 A258 C266	V123-C252 WeakPolarHBondContact CG1-O 3.24Å; C252-D254 WeakPolarHBondContact CB-OD1 3.46Å; C252-D254 PolarHBondContact O-N 3.05Å; C252-D254 VanDerWaalsContact O-N 3.13Å; C252-G255 PolarHBondContact O-N 3.03Å; C252-S256 WeakPolarHBondContact CB-O 3.4Å; C252-S256 WeakPolarHBondContact CB-OG 3.39Å; C252-S256 PolarHBondContact N-O 2.71Å; C252-A258 VanDerWaalsContact SG-CB 3.52Å; C252-C266 WeakPolarHBondContact CA-SG 3.37Å; C252-C266 HydrophobicContact CB-CB 4.05Å; C252-C266 WeakPolarHBondContact CB-SG 3.47Å; C252-C266 PolarHBondContact N-SG 2.97Å; C252-C266 WeakPolarHBondContact SG-CB 3.01Å; C252-C266 CovalentContact SG-SG 2.04Å; C252-C266 PolarHBondContact SG-SG 3.47Å
253	P	91	Very high	91.8	Very high	36 Å²	36	52.2 Å²	52.2	23%	0.234	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.1	179.2	-31.6	38.8	0	0	0	115.7	F148 G255 N267	F148-P253 HydrophobicContact CE2-CB 3.8Å; F148-P253 HydrophobicContact CE2-CG 4.3Å; F148-P253 HydrophobicContact CZ-CB 4.12Å; P253-G255 VanDerWaalsContact C-N 3.27Å; P253-G255 PolarHBondContact O-N 3.19Å; P253-N267 WeakPolarHBondContact CG-O 3.46Å
254	D	87.5	Confident	92.3	Very high	112 Å²	112	54.1 Å²	54.1	60%	0.599	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	3.4	-179.7	64.3	-8.3	0	0	0	113.5	C252 S256	C252-D254 WeakPolarHBondContact CB-OD1 3.46Å; C252-D254 PolarHBondContact O-N 3.05Å; C252-D254 VanDerWaalsContact O-N 3.13Å; D254-S256 VanDerWaalsContact C-N 3.29Å; D254-S256 VanDerWaalsContact CG-OG 3.3Å; D254-S256 VanDerWaalsContact OD1-CB 3.24Å; D254-S256 WeakPolarHBondContact OD1-CB 3.17Å; D254-S256 PolarHBondContact OD1-N 3.18Å; D254-S256 PolarHBondContact OD1-OG 3.47Å; D254-S256 PolarHBondContact OD2-OG 3.08Å
255	G	89.4	Confident	92.7	Very high	11 Å²	11	56.1 Å²	56.1	11%	0.113	30%	0.299	C	S	.	.	S	Bend	trans	84.8	-4.2	-175.6	0	0	0	0	0	114.3	D122 C252 P253	D122-G255 VanDerWaalsContact OD1-CA 3.24Å; D122-G255 WeakPolarHBondContact OD1-CA 3.05Å; C252-G255 PolarHBondContact O-N 3.03Å; P253-G255 VanDerWaalsContact C-N 3.27Å; P253-G255 PolarHBondContact O-N 3.19Å
256	S	92.9	Very high	93.4	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	28%	0.283	S	S	.	.			trans	-78.7	173.2	175.5	77.8	0	0	0	0	112.4	C252 D254	C252-S256 WeakPolarHBondContact CB-O 3.4Å; C252-S256 WeakPolarHBondContact CB-OG 3.39Å; C252-S256 PolarHBondContact N-O 2.71Å; D254-S256 VanDerWaalsContact C-N 3.29Å; D254-S256 VanDerWaalsContact CG-OG 3.3Å; D254-S256 VanDerWaalsContact OD1-CB 3.24Å; D254-S256 WeakPolarHBondContact OD1-CB 3.17Å; D254-S256 PolarHBondContact OD1-N 3.18Å; D254-S256 PolarHBondContact OD1-OG 3.47Å; D254-S256 PolarHBondContact OD2-OG 3.08Å
257	Q	94.9	Very high	93.8	Very high	58 Å²	58	46.8 Å²	46.8	27%	0.271	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142	170.3	-64.3	-167.3	7	0	0	111.3	R119 L121 R249 L250 L251	R119-Q257 PolarHBondContact O-NE2 3.09Å; R119-Q257 PolarHBondContact O-OE1 3.13Å; L121-Q257 PolarHBondContact O-NE2 3.04Å; R249-Q257 HydrophobicContact CB-CB 4.41Å; L250-Q257 WeakPolarHBondContact O-CA 3.43Å; L251-Q257 HydrophobicContact CD2-CG 3.92Å
258	A	94.9	Very high	94	Very high	13 Å²	13	44.3 Å²	44.3	11%	0.107	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.6	176.8	0	0	0	0	0	112.4	L250 C252 H262 C266	L250-A258 PolarHBondContact N-O 2.84Å; L250-A258 PolarHBondContact O-N 2.79Å; C252-A258 VanDerWaalsContact SG-CB 3.52Å; A258-H262 HydrophobicContact CB-CB 3.93Å; A258-C266 HydrophobicContact CB-CB 3.88Å
259	P	94.4	Very high	93.9	Very high	53 Å²	53	44.6 Å²	44.6	34%	0.344	24%	0.244	S	C	.	.			trans	-60.1	154.7	167.1	-18.8	31.3	0	0	0	111.8	S261 H262	P259-S261 PolarHBondContact O-N 3.44Å; P259-S261 VanDerWaalsContact O-N 3.08Å; P259-H262 PolarHBondContact O-N 3.3Å
260	L	94.3	Very high	93.6	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-55.6	-30.6	-179.9	-60.3	-175	0	0	0	113.8	V115 L237 I240 W245 F248 L250 H262 Y263	V115-L260 HydrophobicContact CG1-CD2 4.25Å; L237-L260 HydrophobicContact CD1-CB 4.45Å; L237-L260 HydrophobicContact CD2-CD2 4.19Å; I240-L260 HydrophobicContact CD1-CD1 3.71Å; I240-L260 HydrophobicContact CG2-CD1 4.34Å; W245-L260 HydrophobicContact CD2-CD1 4.48Å; W245-L260 HydrophobicContact CE3-CB 4.26Å; W245-L260 HydrophobicContact CG-CD1 4.44Å; W245-L260 HydrophobicContact CZ3-CB 4.4Å; F248-L260 HydrophobicContact CB-CD1 4.12Å; F248-L260 HydrophobicContact CB-CD2 4.14Å; F248-L260 HydrophobicContact CB-CG 4.38Å; L250-L260 HydrophobicContact CD2-CD2 3.6Å; L250-L260 HydrophobicContact CG-CD2 3.99Å; L260-H262 PolarHBondContact O-N 3.24Å; L260-Y263 WeakPolarHBondContact O-CD1 3.33Å; L260-Y263 PolarHBondContact O-N 2.88Å
261	S	92.9	Very high	93.4	Very high	66 Å²	66	46.3 Å²	46.3	46%	0.462	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-63.2	-19.9	177.2	54.3	0	0	0	0	114.5	P259 Y263	P259-S261 PolarHBondContact O-N 3.44Å; P259-S261 VanDerWaalsContact O-N 3.08Å; S261-Y263 VanDerWaalsContact C-N 3.31Å; S261-Y263 PolarHBondContact O-N 3.26Å
262	H	95.4	Very high	93.2	Very high	94 Å²	94	46.4 Å²	46.4	44%	0.435	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-93	19	-175.3	-69.2	67.5	0	0	0	112.9	A258 P259 L260 R264 S265 C266	A258-H262 HydrophobicContact CB-CB 3.93Å; P259-H262 PolarHBondContact O-N 3.3Å; L260-H262 PolarHBondContact O-N 3.24Å; H262-R264 PolarHBondContact O-N 3.42Å; H262-S265 PolarHBondContact O-N 2Å; H262-S265 PolarHBondContact O-OG 2.99Å; H262-S265 VanDerWaalsContact O-OG 3.13Å; H262-C266 WeakPolarHBondContact O-CB 3.22Å; H262-C266 PolarHBondContact O-N 3.4Å
263	Y	94.7	Very high	93	Very high	47 Å²	47	46.3 Å²	46.3	18%	0.184	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.7	-179.2	64.9	-103.2	0	0	0	113.8	L111 H234 L237 L260 S261 C266 N267	L111-Y263 HydrophobicContact CD1-CD2 3.75Å; L111-Y263 HydrophobicContact CD1-CE2 4.17Å; H234-Y263 HydrophobicContact CB-CD2 3.75Å; H234-Y263 HydrophobicContact CB-CE2 4.32Å; H234-Y263 HydrophobicContact CB-CG 3.92Å; H234-Y263 AromaticContact CD2-CD2 3.71Å; H234-Y263 AromaticContact CD2-CE2 3.4Å; H234-Y263 WeakPolarHBondContact CD2-CE2 3.43Å; H234-Y263 AromaticContact CD2-CZ 3.94Å; H234-Y263 AromaticContact CG-CD2 3.98Å; L237-Y263 HydrophobicContact CD1-CD1 4.14Å; L237-Y263 HydrophobicContact CD1-CG 4.39Å; L260-Y263 WeakPolarHBondContact O-CD1 3.33Å; L260-Y263 PolarHBondContact O-N 2.88Å; S261-Y263 VanDerWaalsContact C-N 3.31Å; S261-Y263 PolarHBondContact O-N 3.26Å; Y263-C266 CarbonylContact O-C 3.51Å; Y263-N267 WeakPolarHBondContact O-CB 3.33Å; Y263-N267 PolarHBondContact O-ND2 3.37Å
264	R	93.2	Very high	93.1	Very high	143 Å²	143	44.7 Å²	44.7	54%	0.54	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-36.8	177.9	-63.7	-168.2	-168.7	-78.5	-2	113	D106 H262 N267	D106-R264 VanDerWaalsContact CG-NH2 3.27Å; D106-R264 IonicContact OD1-NH2 2.92Å; D106-R264 PolarHBondContact OD1-NH2 2.59Å; D106-R264 IonicContact OD2-CZ 2.88Å; D106-R264 VanDerWaalsContact OD2-CZ 3.23Å; D106-R264 IonicContact OD2-NH1 2.71Å; D106-R264 PolarHBondContact OD2-NH1 3.41Å; D106-R264 IonicContact OD2-NH2 3.78Å; D106-R264 PolarHBondContact OD2-NH2 3Å; H262-R264 PolarHBondContact O-N 3.42Å; R264-N267 PolarHBondContact O-ND2 2.98Å
265	S	93.8	Very high	93.4	Very high	95 Å²	95	39.5 Å²	39.5	66%	0.664	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-21.9	177.1	56.2	0	0	0	0	112.8	H262	H262-S265 PolarHBondContact O-N 2Å; H262-S265 PolarHBondContact O-OG 2.99Å; H262-S265 VanDerWaalsContact O-OG 3.13Å
266	C	95.9	Very high	93.7	Very high	2 Å²	2	39 Å²	39	1%	0.014	21%	0.209	C	C	.	.	S	Bend	trans	-119.5	84.6	-178.6	-178.6	0	0	0	0	110.4	L250 C252 A258 H262 Y263	L250-C266 HydrophobicContact CB-CB 4.46Å; L250-C266 WeakPolarHBondContact CB-SG 3.38Å; L250-C266 HydrophobicContact CD1-CB 4.24Å; C252-C266 WeakPolarHBondContact CA-SG 3.37Å; C252-C266 HydrophobicContact CB-CB 4.05Å; C252-C266 WeakPolarHBondContact CB-SG 3.47Å; C252-C266 PolarHBondContact N-SG 2.97Å; C252-C266 WeakPolarHBondContact SG-CB 3.01Å; C252-C266 CovalentContact SG-SG 2.04Å; C252-C266 PolarHBondContact SG-SG 3.47Å; A258-C266 HydrophobicContact CB-CB 3.88Å; H262-C266 WeakPolarHBondContact O-CB 3.22Å; H262-C266 PolarHBondContact O-N 3.4Å; Y263-C266 CarbonylContact O-C 3.51Å
267	N	95.8	Very high	93.9	Very high	30 Å²	30	36.7 Å²	36.7	16%	0.16	19%	0.193	C	C	.	.			trans	-146	158.4	176.2	61.1	89.3	0	0	0	110.5	L111 S112 V113 P253 Y263 R264 G269	L111-N267 HydrophobicContact CB-CB 4.09Å; S112-N267 CarbonylContact O-C 3.58Å; S112-N267 WeakPolarHBondContact O-CA 3.31Å; S112-N267 VanDerWaalsContact O-CB 3.27Å; S112-N267 WeakPolarHBondContact O-CB 3.48Å; V113-N267 HydrophobicContact CG1-CB 4.15Å; P253-N267 WeakPolarHBondContact CG-O 3.46Å; Y263-N267 WeakPolarHBondContact O-CB 3.33Å; Y263-N267 PolarHBondContact O-ND2 3.37Å; R264-N267 PolarHBondContact O-ND2 2.98Å; N267-G269 VanDerWaalsContact C-N 3.34Å; N267-G269 PolarHBondContact OD1-N 3.09Å
268	L	94.4	Very high	93.9	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	18%	0.18	C	C	.	.	S	Bend	trans	-89.1	-2	-178.4	-55.3	-175.5	0	0	0	113.3	S112 A114 V123 P145 F148 F231	S112-L268 PolarHBondContact O-N 2.9Å; A114-L268 HydrophobicContact CB-CD1 3.9Å; A114-L268 HydrophobicContact CB-CG 4.49Å; V123-L268 HydrophobicContact CG2-CD2 4.34Å; P145-L268 HydrophobicContact CB-CD1 4.21Å; P145-L268 HydrophobicContact CG-CD1 4.49Å; F148-L268 HydrophobicContact CB-CB 4.2Å; F148-L268 HydrophobicContact CD1-CD2 3.94Å; F148-L268 HydrophobicContact CD2-CD2 4.41Å; F148-L268 HydrophobicContact CE1-CD2 3.99Å; F148-L268 HydrophobicContact CE2-CD2 4.45Å; F148-L268 HydrophobicContact CG-CB 4.23Å; F148-L268 HydrophobicContact CG-CD2 4.16Å; F148-L268 HydrophobicContact CZ-CD2 4.25Å; F231-L268 HydrophobicContact CD1-CD1 3.96Å; F231-L268 HydrophobicContact CE1-CD1 3.82Å
269	G	91.6	Very high	93.9	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.2	167.6	-180	0	0	0	0	0	113	L111 S112 N267	L111-G269 WeakPolarHBondContact CA-O 3Å; S112-G269 PolarHBondContact N-O 2.94Å; N267-G269 VanDerWaalsContact C-N 3.34Å; N267-G269 PolarHBondContact OD1-N 3.09Å
270	R	91.1	Very high	93.8	Very high	118 Å²	118	37 Å²	37	45%	0.445	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.8	-179.5	-170.5	178	-172.3	-152.4	0.4	109.5	C109 V110 L111 D723 C725	C109-R270 HydrophobicContact CB-CG 4.04Å; V110-R270 WeakPolarHBondContact O-CA 2.94Å; L111-R270 HydrophobicContact CD2-CB 3.77Å; L111-R270 HydrophobicContact CD2-CG 3.8Å; R270-D723 IonicContact CZ-OD2 4Å; R270-D723 IonicContact NH1-OD1 3.74Å; R270-D723 IonicContact NH1-OD2 3.96Å; R270-D723 PolarHBondContact NH1-OD2 3.29Å; R270-D723 IonicContact NH2-OD2 2.87Å; R270-D723 PolarHBondContact NH2-OD2 3.18Å; R270-C725 VanDerWaalsContact CZ-CB 3.4Å
271	G	91.4	Very high	93.6	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	165.9	179.5	0	0	0	0	0	112.8	C109 V110	C109-G271 CarbonylContact C-O 3.59Å; C109-G271 WeakPolarHBondContact CA-O 3.02Å; C109-G271 WeakPolarHBondContact CB-O 3.18Å; C109-G271 PolarHBondContact SG-O 3.32Å; C109-G271 VanDerWaalsContact SG-O 3.36Å; V110-G271 PolarHBondContact N-O 2.95Å; V110-G271 PolarHBondContact O-N 2.81Å
272	P	92.3	Very high	93.4	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.019	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	149.8	-177.8	27.7	-34.8	0	0	0	112.7	A84 M342 Y346	A84-P272 HydrophobicContact CB-CB 4.21Å; A84-P272 HydrophobicContact CB-CG 3.71Å; A84-P272 WeakPolarHBondContact CB-O 2.88Å; P272-M342 HydrophobicContact CG-CB 4.33Å; P272-Y346 VanDerWaalsContact CD-CG 3.41Å; P272-Y346 HydrophobicContact CG-CD1 3.3Å; P272-Y346 HydrophobicContact CG-CE1 3.56Å; P272-Y346 HydrophobicContact CG-CG 3.89Å
273	G	90.9	Very high	93.2	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.031	18%	0.177	C	C	.	.			trans	-71.3	176.7	170.4	0	0	0	0	0	114.1	A84 Y104 A108	A84-G273 WeakPolarHBondContact CB-O 3.37Å; Y104-G273 WeakPolarHBondContact OH-CA 3.02Å; A108-G273 PolarHBondContact O-N 3.11Å
274	G	93.3	Very high	92.9	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	20%	0.2	C	C	.	.			trans	-60.4	163.1	180	0	0	0	0	0	113.9	L82 E102 Y104	L82-G274 CarbonylContact O-C 3.59Å; L82-G274 VanDerWaalsContact O-CA 3.24Å; L82-G274 WeakPolarHBondContact O-CA 3.14Å; E102-G274 PolarHBondContact N-O 3.05Å; Y104-G274 PolarHBondContact OH-N 3.25Å; Y104-G274 VanDerWaalsContact OH-N 3.16Å
275	G	94.6	Very high	92.8	Very high	4 Å²	4	37.1 Å²	37.1	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	164.9	-176.8	0	0	0	0	0	113.6	A81 L82 A100	A81-G275 WeakPolarHBondContact CA-O 3.46Å; L82-G275 PolarHBondContact N-O 3.43Å; L82-G275 PolarHBondContact O-N 3.39Å; A100-G275 CarbonylContact O-C 3.57Å; A100-G275 VanDerWaalsContact O-CA 3.22Å; A100-G275 WeakPolarHBondContact O-CA 3.45Å
276	M	95.3	Very high	92.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.9	-178.1	-58.3	-168.6	75.1	0	0	110.9	W24 L79 V80 A81 L98 V99 A100 I290 F322 L329	W24-M276 HydrophobicContact CH2-CE 3.39Å; W24-M276 HydrophobicContact CZ2-CE 3.78Å; W24-M276 HydrophobicContact CZ3-CE 3.99Å; L79-M276 HydrophobicContact CD1-CE 3.56Å; V80-M276 WeakPolarHBondContact O-CA 3.45Å; A81-M276 HydrophobicContact CB-CG 4.46Å; L98-M276 CarbonylContact C-O 3.53Å; L98-M276 WeakPolarHBondContact CA-O 3.4Å; L98-M276 VanDerWaalsContact CD1-O 3.27Å; L98-M276 WeakPolarHBondContact CD1-O 3.28Å; V99-M276 HydrophobicContact CG2-CB 3.81Å; V99-M276 WeakPolarHBondContact CG2-O 3.4Å; V99-M276 PolarHBondContact N-O 3.05Å; A100-M276 HydrophobicContact CB-CB 4.32Å; A100-M276 HydrophobicContact CB-CG 4.25Å; A100-M276 HydrophobicContact CB-SD 4.23Å; A100-M276 PolarHBondContact O-N 3.31Å; M276-I290 HydrophobicContact CE-CD1 3.4Å; M276-I290 VanDerWaalsContact CE-CD1 3.4Å; M276-I290 HydrophobicContact CE-CG1 4.07Å; M276-I290 HydrophobicContact SD-CD1 3.53Å; M276-I290 VanDerWaalsContact SD-CD1 3.53Å; M276-I290 HydrophobicContact SD-CG1 3.73Å; M276-I290 HydrophobicContact SD-CG2 4.15Å; M276-F322 HydrophobicContact CE-CE1 4.15Å; M276-F322 HydrophobicContact CE-CZ 3.85Å; M276-F322 HydrophobicContact CG-CE1 4Å; M276-F322 HydrophobicContact SD-CE1 3.66Å; M276-F322 HydrophobicContact SD-CZ 3.65Å; M276-L329 HydrophobicContact SD-CD1 4.3Å
277	V	96.1	Very high	92.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.2	177.5	-61.3	0	0	0	0	112.3	L79 V80 L82 V87 A90 L96 V97	L79-V277 WeakPolarHBondContact CA-O 3.16Å; V80-V277 HydrophobicContact CG1-CG2 3.62Å; V80-V277 PolarHBondContact N-O 2.98Å; V80-V277 PolarHBondContact O-N 2.85Å; L82-V277 HydrophobicContact CD1-CG1 4.45Å; L82-V277 HydrophobicContact CD1-CG2 3.54Å; L82-V277 HydrophobicContact CG-CG2 4.35Å; V87-V277 HydrophobicContact CB-CG1 4.23Å; V87-V277 HydrophobicContact CG1-CG1 3.69Å; V87-V277 HydrophobicContact CG2-CG1 4.12Å; A90-V277 HydrophobicContact CB-CG1 4.35Å; A90-V277 HydrophobicContact CB-CG2 4.32Å; L96-V277 HydrophobicContact CB-CB 4.39Å; L96-V277 HydrophobicContact CD1-CB 4.5Å; L96-V277 HydrophobicContact CD1-CG2 4.1Å; V97-V277 CarbonylContact O-C 3.52Å; V97-V277 VanDerWaalsContact O-CA 3.27Å; V97-V277 WeakPolarHBondContact O-CA 3.42Å
278	T	95.8	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-177.3	174.1	-170.8	0	0	0	0	110.1	D78 L96 V97 V99 F282 V286	D78-T278 VanDerWaalsContact O-CB 3.26Å; D78-T278 WeakPolarHBondContact O-CB 3.35Å; D78-T278 PolarHBondContact O-OG1 2.91Å; L96-T278 CarbonylContact C-O 3.56Å; L96-T278 WeakPolarHBondContact CA-O 3.04Å; L96-T278 WeakPolarHBondContact CB-O 3.46Å; V97-T278 HydrophobicContact CG2-CG2 3.83Å; V97-T278 WeakPolarHBondContact CG2-O 3.37Å; V97-T278 PolarHBondContact N-O 3.48Å; V97-T278 PolarHBondContact O-N 3.21Å; V99-T278 HydrophobicContact CG1-CG2 3.44Å; V99-T278 VanDerWaalsContact CG1-CG2 3.44Å; V99-T278 HydrophobicContact CG2-CG2 4.46Å; T278-F282 WeakPolarHBondContact OG1-CB 3.33Å; T278-V286 HydrophobicContact CG2-CB 4.23Å; T278-V286 HydrophobicContact CG2-CG2 4.11Å
279	R	95.1	Very high	92.1	Very high	25 Å²	25	40.3 Å²	40.3	9%	0.094	19%	0.189	C	C	.	.			trans	-84.5	151	172.6	-67.9	172.8	-75.1	163	0.4	111.5	I72 N75 D78 L96 N281 F282 R283	I72-R279 HydrophobicContact CG2-CG 3.79Å; I72-R279 WeakPolarHBondContact O-CD 2.69Å; I72-R279 PolarHBondContact O-NE 2.74Å; N75-R279 PolarHBondContact OD1-NH1 3.35Å; N75-R279 PolarHBondContact OD1-NH2 2.93Å; D78-R279 IonicContact OD1-CZ 3.38Å; D78-R279 IonicContact OD1-NH2 3.54Å; D78-R279 PolarHBondContact OD1-NH2 2.03Å; L96-R279 HydrophobicContact CD2-CG 3.85Å; R279-N281 VanDerWaalsContact C-N 3.26Å; R279-N281 VanDerWaalsContact CB-OD1 3.28Å; R279-N281 WeakPolarHBondContact CB-OD1 3.46Å; R279-N281 PolarHBondContact O-N 3.19Å; R279-N281 VanDerWaalsContact O-N 3.13Å; R279-F282 PolarHBondContact O-N 2.02Å; R279-R283 PolarHBondContact O-N 3.11Å
280	H	91.6	Very high	92.2	Very high	106 Å²	106	39.5 Å²	39.5	49%	0.491	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-46.6	-46.5	177.9	-77.5	-88.6	0	0	0	113.6	D95 V97 F282 R283	D95-H280 IonicContact OD1-CD2 3.95Å; D95-H280 IonicContact OD1-NE2 3.23Å; D95-H280 PolarHBondContact OD1-NE2 3.08Å; V97-H280 WeakPolarHBondContact CG1-CE1 3.13Å; V97-H280 VanDerWaalsContact CG1-ND1 3.27Å; V97-H280 WeakPolarHBondContact CG1-ND1 3.5Å; V97-H280 VanDerWaalsContact CG1-NE2 3.28Å; V97-H280 WeakPolarHBondContact CG1-NE2 3.07Å; H280-F282 VanDerWaalsContact C-N 3.28Å; H280-F282 PolarHBondContact O-N 3.07Å; H280-R283 WeakPolarHBondContact O-CB 3.33Å; H280-R283 PolarHBondContact O-N 2.88Å
281	N	90	Very high	92.3	Very high	106 Å²	106	36.3 Å²	36.3	57%	0.567	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-70.6	-17.7	-178.2	66.1	-24	0	0	0	114.6	R279	R279-N281 VanDerWaalsContact C-N 3.26Å; R279-N281 VanDerWaalsContact CB-OD1 3.28Å; R279-N281 WeakPolarHBondContact CB-OD1 3.46Å; R279-N281 PolarHBondContact O-N 3.19Å; R279-N281 VanDerWaalsContact O-N 3.13Å
282	F	89.6	Confident	92.3	Very high	14 Å²	14	37.2 Å²	37.2	6%	0.061	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-99	-12.1	177.9	-96.4	-107	0	0	0	113.6	K20 M22 D78 T278 R279 H280 K284 V285 V286	K20-F282 HydrophobicContact CB-CZ 3.95Å; K20-F282 HydrophobicContact CD-CE2 4.15Å; K20-F282 HydrophobicContact CD-CZ 3.96Å; M22-F282 HydrophobicContact SD-CD1 4.34Å; D78-F282 HydrophobicContact CB-CD1 4.1Å; D78-F282 HydrophobicContact CB-CE1 4.22Å; T278-F282 WeakPolarHBondContact OG1-CB 3.33Å; R279-F282 PolarHBondContact O-N 2.02Å; H280-F282 VanDerWaalsContact C-N 3.28Å; H280-F282 PolarHBondContact O-N 3.07Å; F282-K284 VanDerWaalsContact C-N 3.35Å; F282-K284 PolarHBondContact O-N 2.99Å; F282-K284 VanDerWaalsContact O-N 3.16Å; F282-V285 PolarHBondContact O-N 3.16Å; F282-V286 HydrophobicContact CB-CG2 4.21Å; F282-V286 PolarHBondContact O-N 2.64Å
283	R	90.4	Very high	92.3	Very high	24 Å²	24	37.2 Å²	37.2	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-42.7	-54.4	-177	-172.7	-179.4	-171.2	171	9.8	113.6	V97 V99 R279 H280 V285 V286 R287 P333 N334 D335	V97-R283 HydrophobicContact CG2-CB 4.17Å; V97-R283 HydrophobicContact CG2-CG 4.25Å; V99-R283 HydrophobicContact CG1-CG 3.93Å; R279-R283 PolarHBondContact O-N 3.11Å; H280-R283 WeakPolarHBondContact O-CB 3.33Å; H280-R283 PolarHBondContact O-N 2.88Å; R283-V285 VanDerWaalsContact C-N 3.33Å; R283-V285 PolarHBondContact O-N 3Å; R283-V286 PolarHBondContact O-N 3.05Å; R283-R287 WeakPolarHBondContact O-CB 3.11Å; R283-R287 VanDerWaalsContact O-CG 3.23Å; R283-R287 WeakPolarHBondContact O-CG 3.21Å; R283-R287 PolarHBondContact O-N 3.2Å; R283-P333 PolarHBondContact NH2-O 2.81Å; R283-N334 VanDerWaalsContact NH2-CA 3.35Å; R283-D335 IonicContact NH1-OD1 2.85Å; R283-D335 PolarHBondContact NH1-OD1 3.4Å
284	K	89.6	Confident	92.4	Very high	153 Å²	153	39 Å²	39	67%	0.665	19%	0.191	S	C	*	.	H	α-helix	trans	-61.8	-39	-177.2	-67.7	-177.7	-178.4	177.2	0	112.7	F282 K288	F282-K284 VanDerWaalsContact C-N 3.35Å; F282-K284 PolarHBondContact O-N 2.99Å; F282-K284 VanDerWaalsContact O-N 3.16Å; K284-K288 WeakPolarHBondContact O-CG 3.12Å; K284-K288 PolarHBondContact O-N 3.13Å
285	V	89.7	Confident	92.5	Very high	58 Å²	58	42.3 Å²	42.3	35%	0.352	21%	0.211	S	C	.	.	H	α-helix	trans	-73.9	-44.9	-178.9	-176.3	0	0	0	0	110.1	M22 F282 R283 R287 K288 F289	M22-V285 HydrophobicContact CE-CB 4.4Å; M22-V285 HydrophobicContact CE-CG1 3.71Å; F282-V285 PolarHBondContact O-N 3.16Å; R283-V285 VanDerWaalsContact C-N 3.33Å; R283-V285 PolarHBondContact O-N 3Å; V285-R287 PolarHBondContact O-N 3.45Å; V285-K288 PolarHBondContact O-N 3.45Å; V285-F289 WeakPolarHBondContact O-CB 3.29Å; V285-F289 PolarHBondContact O-N 3.02Å
286	V	91.8	Very high	92.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-42.8	178.8	178.1	0	0	0	0	111	M22 L79 V99 T278 F282 R283 K288 F289 I290	M22-V286 HydrophobicContact CE-CB 4.42Å; M22-V286 HydrophobicContact CE-CG2 3.71Å; M22-V286 HydrophobicContact SD-CG2 3.94Å; L79-V286 HydrophobicContact CB-CG1 4.37Å; L79-V286 HydrophobicContact CD1-CG1 4.22Å; V99-V286 HydrophobicContact CG2-CG1 3.78Å; T278-V286 HydrophobicContact CG2-CB 4.23Å; T278-V286 HydrophobicContact CG2-CG2 4.11Å; F282-V286 HydrophobicContact CB-CG2 4.21Å; F282-V286 PolarHBondContact O-N 2.64Å; R283-V286 PolarHBondContact O-N 3.05Å; V286-K288 PolarHBondContact O-N 3.25Å; V286-F289 WeakPolarHBondContact O-CB 3.39Å; V286-F289 PolarHBondContact O-N 3Å; V286-F289 VanDerWaalsContact O-N 3.12Å; V286-I290 HydrophobicContact CG1-CG1 4.03Å; V286-I290 WeakPolarHBondContact O-CG1 3.43Å; V286-I290 PolarHBondContact O-N 3Å
287	R	92.5	Very high	92.4	Very high	58 Å²	58	43.6 Å²	43.6	22%	0.219	22%	0.216	C	C	.	.	H	α-helix	trans	-55	-50.8	175.3	-74.5	179.7	60.5	157	11.7	112.5	V99 R283 V285 F289 I290 S291 V331 L332 N334	V99-R287 HydrophobicContact CB-CG 4.26Å; R283-R287 WeakPolarHBondContact O-CB 3.11Å; R283-R287 VanDerWaalsContact O-CG 3.23Å; R283-R287 WeakPolarHBondContact O-CG 3.21Å; R283-R287 PolarHBondContact O-N 3.2Å; V285-R287 PolarHBondContact O-N 3.45Å; R287-F289 VanDerWaalsContact C-N 3.29Å; R287-F289 PolarHBondContact O-N 2.87Å; R287-I290 PolarHBondContact O-N 2.97Å; R287-S291 PolarHBondContact O-N 3.18Å; R287-S291 PolarHBondContact O-OG 2.04Å; R287-S291 VanDerWaalsContact O-OG 3.1Å; R287-V331 HydrophobicContact CB-CG1 3.82Å; R287-V331 HydrophobicContact CG-CG1 3.67Å; R287-L332 PolarHBondContact NE-O 3.04Å; R287-L332 PolarHBondContact NH1-O 2.86Å; R287-L332 PolarHBondContact NH2-O 3.29Å; R287-N334 VanDerWaalsContact NH1-N 3.18Å; R287-N334 PolarHBondContact NH1-OD1 3.37Å
288	K	90.6	Very high	92.3	Very high	150 Å²	150	43.8 Å²	43.8	65%	0.652	22%	0.218	S	C	*	.	H	α-helix	trans	-60.7	-40.7	177	-71.3	-179.3	179.5	-175	0	111.7	F54 K284 V285 V286 A292	F54-K288 HydrophobicContact CE1-CB 4.11Å; K284-K288 WeakPolarHBondContact O-CG 3.12Å; K284-K288 PolarHBondContact O-N 3.13Å; V285-K288 PolarHBondContact O-N 3.45Å; V286-K288 PolarHBondContact O-N 3.25Å; K288-A292 WeakPolarHBondContact O-CB 3.25Å; K288-A292 PolarHBondContact O-N 3.5Å
289	F	91.4	Very high	92.2	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-49.5	177.4	173.3	-106.5	0	0	0	111.6	M22 W24 L42 F54 L57 L79 V285 V286 R287 A292 V293	M22-F289 HydrophobicContact CE-CB 4Å; M22-F289 HydrophobicContact CE-CD1 4.39Å; M22-F289 HydrophobicContact CE-CG 4.18Å; M22-F289 HydrophobicContact CG-CD1 4.46Å; M22-F289 HydrophobicContact CG-CE1 4.46Å; W24-F289 AromaticContact CE3-CE1 3.9Å; W24-F289 HydrophobicContact CE3-CE1 3.9Å; W24-F289 HydrophobicContact CE3-CZ 4.44Å; W24-F289 AromaticContact CZ3-CE1 3.79Å; W24-F289 HydrophobicContact CZ3-CE1 3.79Å; W24-F289 HydrophobicContact CZ3-CZ 4.49Å; L42-F289 HydrophobicContact CD1-CE2 3.78Å; L42-F289 HydrophobicContact CD1-CZ 4.09Å; F54-F289 HydrophobicContact CB-CD2 4.04Å; F54-F289 HydrophobicContact CD1-CB 3.82Å; F54-F289 HydrophobicContact CD1-CD2 4.01Å; F54-F289 HydrophobicContact CD1-CG 4.4Å; F54-F289 AromaticContact CD2-CD2 3.93Å; F54-F289 HydrophobicContact CD2-CD2 3.93Å; F54-F289 VanDerWaalsContact CE1-CA 3.49Å; F54-F289 HydrophobicContact CE1-CB 3.81Å; F54-F289 HydrophobicContact CE1-CD2 4.46Å; F54-F289 HydrophobicContact CE2-CD2 4.38Å; F54-F289 HydrophobicContact CG-CB 4.42Å; F54-F289 AromaticContact CG-CD2 3.73Å; F54-F289 HydrophobicContact CG-CD2 3.73Å; F54-F289 HydrophobicContact CZ-CB 4.38Å; L57-F289 HydrophobicContact CD1-CE1 4.42Å; L57-F289 HydrophobicContact CD1-CE2 4.48Å; L57-F289 HydrophobicContact CD1-CZ 3.79Å; L57-F289 HydrophobicContact CD2-CZ 4.2Å; L57-F289 HydrophobicContact CG-CZ 4.46Å; L79-F289 HydrophobicContact CD1-CD1 4.38Å; L79-F289 HydrophobicContact CD1-CE1 4.21Å; V285-F289 WeakPolarHBondContact O-CB 3.29Å; V285-F289 PolarHBondContact O-N 3.02Å; V286-F289 WeakPolarHBondContact O-CB 3.39Å; V286-F289 PolarHBondContact O-N 3Å; V286-F289 VanDerWaalsContact O-N 3.12Å; R287-F289 VanDerWaalsContact C-N 3.29Å; R287-F289 PolarHBondContact O-N 2.87Å; F289-A292 WeakPolarHBondContact O-CB 3.26Å; F289-A292 PolarHBondContact O-N 3.15Å; F289-A292 VanDerWaalsContact O-N 3.16Å; F289-V293 HydrophobicContact CD1-CG2 4.28Å; F289-V293 HydrophobicContact CD2-CG2 4.02Å; F289-V293 HydrophobicContact CE1-CG2 3.9Å; F289-V293 HydrophobicContact CE2-CG2 3.62Å; F289-V293 HydrophobicContact CG-CG2 4.33Å; F289-V293 HydrophobicContact CZ-CG2 3.54Å; F289-V293 VanDerWaalsContact O-CG2 3.27Å; F289-V293 WeakPolarHBondContact O-CG2 3.46Å; F289-V293 PolarHBondContact O-N 3.22Å
290	I	92.9	Very high	92	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-42.4	179.3	-62.7	-51.3	0	0	0	111.8	W24 L79 A100 M276 V286 R287 A292 V293 Q294 L329 V331	W24-I290 HydrophobicContact CH2-CD1 4.32Å; W24-I290 HydrophobicContact CZ3-CD1 4.04Å; L79-I290 HydrophobicContact CD1-CD1 4.12Å; A100-I290 HydrophobicContact CB-CG2 4.3Å; M276-I290 HydrophobicContact CE-CD1 3.4Å; M276-I290 VanDerWaalsContact CE-CD1 3.4Å; M276-I290 HydrophobicContact CE-CG1 4.07Å; M276-I290 HydrophobicContact SD-CD1 3.53Å; M276-I290 VanDerWaalsContact SD-CD1 3.53Å; M276-I290 HydrophobicContact SD-CG1 3.73Å; M276-I290 HydrophobicContact SD-CG2 4.15Å; V286-I290 HydrophobicContact CG1-CG1 4.03Å; V286-I290 WeakPolarHBondContact O-CG1 3.43Å; V286-I290 PolarHBondContact O-N 3Å; R287-I290 PolarHBondContact O-N 2.97Å; I290-A292 VanDerWaalsContact C-N 3.28Å; I290-A292 PolarHBondContact O-N 3.39Å; I290-V293 PolarHBondContact O-N 2.98Å; I290-Q294 WeakPolarHBondContact O-CB 3.47Å; I290-Q294 PolarHBondContact O-N 3.31Å; I290-L329 HydrophobicContact CG2-CB 4.34Å; I290-L329 HydrophobicContact CG2-CD1 3.66Å; I290-V331 HydrophobicContact CG2-CG2 4.12Å
291	S	93.1	Very high	92	Very high	50 Å²	50	51.1 Å²	51.1	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-57.2	-42.9	172.8	-61.3	0	0	0	0	111.8	R287 T295	R287-S291 PolarHBondContact O-N 3.18Å; R287-S291 PolarHBondContact O-OG 2.04Å; R287-S291 VanDerWaalsContact O-OG 3.1Å; S291-T295 VanDerWaalsContact O-CB 3.31Å; S291-T295 WeakPolarHBondContact O-CB 3.43Å; S291-T295 PolarHBondContact O-N 3.4Å; S291-T295 PolarHBondContact O-OG1 2.94Å
292	A	91.3	Very high	92.1	Very high	22 Å²	22	53.8 Å²	53.8	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-47.4	178	0	0	0	0	0	112.2	F54 K288 F289 I290 Q294 T295 Q296	F54-A292 HydrophobicContact CE2-CB 3.83Å; F54-A292 HydrophobicContact CZ-CB 3.83Å; K288-A292 WeakPolarHBondContact O-CB 3.25Å; K288-A292 PolarHBondContact O-N 3.5Å; F289-A292 WeakPolarHBondContact O-CB 3.26Å; F289-A292 PolarHBondContact O-N 3.15Å; F289-A292 VanDerWaalsContact O-N 3.16Å; I290-A292 VanDerWaalsContact C-N 3.28Å; I290-A292 PolarHBondContact O-N 3.39Å; A292-Q294 PolarHBondContact O-N 2.97Å; A292-T295 PolarHBondContact O-N 2.87Å; A292-Q296 WeakPolarHBondContact O-CG 3.46Å; A292-Q296 PolarHBondContact O-N 3.48Å; A292-Q296 VanDerWaalsContact O-N 3.12Å
293	V	92.4	Very high	92.2	Very high	2 Å²	2	58 Å²	58	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-48.9	179	170.2	0	0	0	0	110.6	L38 L42 F289 I290 Q296 F297 L309	L38-V293 HydrophobicContact CD1-CG1 4.13Å; L38-V293 HydrophobicContact CD2-CG1 4.42Å; L42-V293 HydrophobicContact CD1-CG2 4.32Å; L42-V293 HydrophobicContact CD2-CG2 3.98Å; F289-V293 HydrophobicContact CD1-CG2 4.28Å; F289-V293 HydrophobicContact CD2-CG2 4.02Å; F289-V293 HydrophobicContact CE1-CG2 3.9Å; F289-V293 HydrophobicContact CE2-CG2 3.62Å; F289-V293 HydrophobicContact CG-CG2 4.33Å; F289-V293 HydrophobicContact CZ-CG2 3.54Å; F289-V293 VanDerWaalsContact O-CG2 3.27Å; F289-V293 WeakPolarHBondContact O-CG2 3.46Å; F289-V293 PolarHBondContact O-N 3.22Å; I290-V293 PolarHBondContact O-N 2.98Å; V293-Q296 PolarHBondContact O-N 2.97Å; V293-F297 PolarHBondContact O-N 2.9Å; V293-L309 HydrophobicContact CG1-CD1 3.64Å; V293-L309 HydrophobicContact CG1-CD2 3.75Å; V293-L309 HydrophobicContact CG1-CG 4.35Å
294	Q	94.1	Very high	92.2	Very high	41 Å²	41	61.8 Å²	61.8	19%	0.192	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-44.1	178	170.4	165.1	-131.5	0	0	112.6	I290 A292 Q296 F297 G298 K328 L329	I290-Q294 WeakPolarHBondContact O-CB 3.47Å; I290-Q294 PolarHBondContact O-N 3.31Å; A292-Q294 PolarHBondContact O-N 2.97Å; Q294-Q296 PolarHBondContact O-N 2.83Å; Q294-F297 PolarHBondContact O-N 2.92Å; Q294-G298 WeakPolarHBondContact O-CA 3.22Å; Q294-G298 PolarHBondContact O-N 3.43Å; Q294-K328 VanDerWaalsContact OE1-CA 3.23Å; Q294-K328 VanDerWaalsContact OE1-CB 3.32Å; Q294-L329 PolarHBondContact NE2-O 3.21Å
295	T	93.9	Very high	92.2	Very high	72 Å²	72	62.8 Å²	62.8	44%	0.442	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-29.3	-179.7	-58.7	0	0	0	0	112.3	S291 A292 G301 K302	S291-T295 VanDerWaalsContact O-CB 3.31Å; S291-T295 WeakPolarHBondContact O-CB 3.43Å; S291-T295 PolarHBondContact O-N 3.4Å; S291-T295 PolarHBondContact O-OG1 2.94Å; A292-T295 PolarHBondContact O-N 2.87Å; T295-G301 VanDerWaalsContact O-CA 3.3Å; T295-G301 WeakPolarHBondContact O-CA 3.45Å; T295-K302 PolarHBondContact O-N 3.36Å
296	Q	93.5	Very high	92.2	Very high	32 Å²	32	67.4 Å²	67.4	15%	0.15	31%	0.314	C	S	.	.	H	α-helix	trans	-89.4	-42.3	178.2	-61.1	-55.8	-30.4	0	0	112.7	V45 L46 A292 V293 Q294 G301 K302 K303 R304	V45-Q296 HydrophobicContact CG1-CB 4.34Å; V45-Q296 HydrophobicContact CG1-CG 3.98Å; L46-Q296 HydrophobicContact CD2-CG 4.07Å; A292-Q296 WeakPolarHBondContact O-CG 3.46Å; A292-Q296 PolarHBondContact O-N 3.48Å; A292-Q296 VanDerWaalsContact O-N 3.12Å; V293-Q296 PolarHBondContact O-N 2.97Å; Q294-Q296 PolarHBondContact O-N 2.83Å; Q296-G301 CarbonylContact O-C 3.52Å; Q296-G301 VanDerWaalsContact O-C 3.26Å; Q296-G301 WeakPolarHBondContact O-CA 3.27Å; Q296-K302 PolarHBondContact O-N 2.94Å; Q296-K303 CarbonylContact O-C 3.52Å; Q296-K303 VanDerWaalsContact O-C 3.3Å; Q296-K303 WeakPolarHBondContact O-CA 3.4Å; Q296-K303 PolarHBondContact O-N 3.33Å; Q296-R304 PolarHBondContact O-N 3.42Å
297	F	94.9	Very high	92.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-125.7	-1.4	-163.9	-53.4	-56.7	0	0	0	115.4	L38 A41 L42 V45 V293 Q294 K303 F307 L309	L38-F297 HydrophobicContact CD1-CD2 3.81Å; L38-F297 HydrophobicContact CD1-CE2 4.07Å; A41-F297 HydrophobicContact CB-CE1 4.09Å; A41-F297 HydrophobicContact CB-CE2 4.34Å; A41-F297 HydrophobicContact CB-CZ 3.77Å; L42-F297 HydrophobicContact CD2-CD2 4.46Å; L42-F297 HydrophobicContact CD2-CE2 3.7Å; L42-F297 HydrophobicContact CG-CE2 3.93Å; V45-F297 HydrophobicContact CB-CZ 4.11Å; V45-F297 HydrophobicContact CG1-CZ 4.43Å; V45-F297 HydrophobicContact CG2-CE1 4.08Å; V45-F297 HydrophobicContact CG2-CZ 4Å; V293-F297 PolarHBondContact O-N 2.9Å; Q294-F297 PolarHBondContact O-N 2.92Å; F297-K303 HydrophobicContact CD1-CB 4.25Å; F297-K303 HydrophobicContact CE1-CB 3.94Å; F297-F307 HydrophobicContact CB-CD1 3.92Å; F297-F307 WeakPolarHBondContact CB-O 3.35Å; F297-F307 HydrophobicContact CD1-CB 3.77Å; F297-F307 HydrophobicContact CD1-CD1 4.45Å; F297-F307 HydrophobicContact CD2-CD1 4.35Å; F297-F307 HydrophobicContact CE1-CB 4.09Å; F297-F307 HydrophobicContact CG-CB 4.18Å; F297-F307 HydrophobicContact CG-CD1 4.01Å; F297-L309 HydrophobicContact CB-CB 4.26Å; F297-L309 VanDerWaalsContact O-CB 3.29Å; F297-L309 WeakPolarHBondContact O-CB 3.4Å; F297-L309 PolarHBondContact O-N 2.89Å
298	G	94	Very high	92.3	Very high	4 Å²	4	68.7 Å²	68.7	4%	0.041	32%	0.322	C	S	.	.	S	Bend	trans	-65.9	-177.7	173.1	0	0	0	0	0	112.7	Q294 L300 G301	Q294-G298 WeakPolarHBondContact O-CA 3.22Å; Q294-G298 PolarHBondContact O-N 3.43Å; G298-L300 PolarHBondContact O-N 1.99Å; G298-G301 PolarHBondContact O-N 3.25Å
299	R	93.1	Very high	92.5	Very high	100 Å²	100	61.6 Å²	61.6	38%	0.377	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.8	-178.4	-67.8	-152.8	176.8	-164.2	-7.1	113.2	R304 F310 D324 T326 D327	R299-R304 VanDerWaalsContact O-CD 3.27Å; R299-R304 WeakPolarHBondContact O-CD 3.47Å; R299-R304 PolarHBondContact O-NH1 2.87Å; R299-F310 HydrophobicContact CG-CD2 3.91Å; R299-D324 PolarHBondContact NH2-O 3.23Å; R299-T326 PolarHBondContact NE-O 3.1Å; R299-D327 WeakPolarHBondContact CD-OD1 3.42Å
300	L	91.4	Very high	92.6	Very high	173 Å²	173	62 Å²	62	91%	0.906	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	17.4	175.5	-56.2	178.5	0	0	0	113	G298	G298-L300 PolarHBondContact O-N 1.99Å
301	G	91.3	Very high	92.6	Very high	12 Å²	12	64.8 Å²	64.8	12%	0.124	31%	0.308	C	S	.	.			trans	-72.3	142.5	-174	0	0	0	0	0	113.8	T295 Q296 G298 K303 R304	T295-G301 VanDerWaalsContact O-CA 3.3Å; T295-G301 WeakPolarHBondContact O-CA 3.45Å; Q296-G301 CarbonylContact O-C 3.52Å; Q296-G301 VanDerWaalsContact O-C 3.26Å; Q296-G301 WeakPolarHBondContact O-CA 3.27Å; G298-G301 PolarHBondContact O-N 3.25Å; G301-K303 PolarHBondContact O-N 2.99Å; G301-K303 VanDerWaalsContact O-N 3.1Å; G301-R304 PolarHBondContact O-N 3.02Å
302	K	91.7	Very high	92.5	Very high	161 Å²	161	62.5 Å²	62.5	70%	0.7	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.4	-176.5	-63	-177	-178.4	-176.9	0	114.6	T295 Q296	T295-K302 PolarHBondContact O-N 3.36Å; Q296-K302 PolarHBondContact O-N 2.94Å
303	K	92.7	Very high	92.2	Very high	102 Å²	102	65.4 Å²	65.4	44%	0.443	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	28.4	-175.2	-60.2	-63.3	-179.8	-172.7	0	111.8	V45 Q296 F297 G301 Q305 R306	V45-K303 HydrophobicContact CG1-CB 4.32Å; V45-K303 HydrophobicContact CG1-CG 3.7Å; V45-K303 HydrophobicContact CG2-CB 4.15Å; V45-K303 HydrophobicContact CG2-CG 4Å; Q296-K303 CarbonylContact O-C 3.52Å; Q296-K303 VanDerWaalsContact O-C 3.3Å; Q296-K303 WeakPolarHBondContact O-CA 3.4Å; Q296-K303 PolarHBondContact O-N 3.33Å; F297-K303 HydrophobicContact CD1-CB 4.25Å; F297-K303 HydrophobicContact CE1-CB 3.94Å; G301-K303 PolarHBondContact O-N 2.99Å; G301-K303 VanDerWaalsContact O-N 3.1Å; K303-Q305 PolarHBondContact O-N 2.75Å; K303-Q305 VanDerWaalsContact O-N 3.12Å; K303-R306 WeakPolarHBondContact O-CB 3.34Å; K303-R306 PolarHBondContact O-N 2.78Å
304	R	90.4	Very high	91.7	Very high	104 Å²	104	73.4 Å²	73.4	39%	0.392	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-34.9	177.6	179.2	176.1	170.6	-172.7	-4.3	114.2	Q296 R299 G301 R306 F307 Q308	Q296-R304 PolarHBondContact O-N 3.42Å; R299-R304 VanDerWaalsContact O-CD 3.27Å; R299-R304 WeakPolarHBondContact O-CD 3.47Å; R299-R304 PolarHBondContact O-NH1 2.87Å; G301-R304 PolarHBondContact O-N 3.02Å; R304-R306 PolarHBondContact O-N 2.97Å; R304-F307 CarbonylContact C-O 3.57Å; R304-F307 CarbonylContact O-C 3.4Å; R304-F307 VanDerWaalsContact O-C 3.26Å; R304-F307 PolarHBondContact O-N 3.2Å; R304-Q308 HydrophobicContact CG-CG 4.03Å; R304-Q308 WeakPolarHBondContact O-CG 3.31Å
305	Q	89.5	Confident	90.8	Very high	175 Å²	175	73.8 Å²	73.8	82%	0.818	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.7	178.4	-59.8	-59.6	-14.9	0	0	113.7	K303	K303-Q305 PolarHBondContact O-N 2.75Å; K303-Q305 VanDerWaalsContact O-N 3.12Å
306	R	89.8	Confident	90.2	Very high	155 Å²	155	73.7 Å²	73.7	59%	0.585	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-33.1	176.1	-72	-170.9	158.5	-162.2	-5.6	113	A44 K303 R304	A44-R306 PolarHBondContact O-NH1 2.81Å; K303-R306 WeakPolarHBondContact O-CB 3.34Å; K303-R306 PolarHBondContact O-N 2.78Å; R304-R306 PolarHBondContact O-N 2.97Å
307	F	92.8	Very high	89.8	Confident	21 Å²	21	74.6 Å²	74.6	9%	0.092	38%	0.378	C	S	.	.			trans	-159.8	132.4	178.6	-176.4	-97.2	0	0	0	109	K34 E37 L38 A41 F297 R304 L309	K34-F307 HydrophobicContact CG-CE2 4.24Å; K34-F307 HydrophobicContact CG-CZ 3.97Å; E37-F307 HydrophobicContact CB-CD2 4.29Å; E37-F307 HydrophobicContact CB-CE2 4.03Å; L38-F307 HydrophobicContact CB-CD1 4.47Å; L38-F307 HydrophobicContact CB-CE1 3.84Å; L38-F307 HydrophobicContact CB-CE2 4.06Å; L38-F307 HydrophobicContact CB-CZ 3.62Å; L38-F307 HydrophobicContact CD1-CD1 3.81Å; L38-F307 HydrophobicContact CD1-CE1 3.65Å; L38-F307 HydrophobicContact CD1-CZ 4.34Å; L38-F307 HydrophobicContact CG-CE1 4.18Å; L38-F307 HydrophobicContact CG-CZ 4.44Å; A41-F307 HydrophobicContact CB-CB 3.75Å; A41-F307 HydrophobicContact CB-CG 4.25Å; F297-F307 HydrophobicContact CB-CD1 3.92Å; F297-F307 WeakPolarHBondContact CB-O 3.35Å; F297-F307 HydrophobicContact CD1-CB 3.77Å; F297-F307 HydrophobicContact CD1-CD1 4.45Å; F297-F307 HydrophobicContact CD2-CD1 4.35Å; F297-F307 HydrophobicContact CE1-CB 4.09Å; F297-F307 HydrophobicContact CG-CB 4.18Å; F297-F307 HydrophobicContact CG-CD1 4.01Å; R304-F307 CarbonylContact C-O 3.57Å; R304-F307 CarbonylContact O-C 3.4Å; R304-F307 VanDerWaalsContact O-C 3.26Å; R304-F307 PolarHBondContact O-N 3.2Å; F307-L309 HydrophobicContact CE1-CB 4.49Å; F307-L309 HydrophobicContact CE1-CD1 3.99Å
308	Q	93.8	Very high	89.5	Confident	64 Å²	64	76.6 Å²	76.6	30%	0.299	39%	0.392	S	S	.	.			trans	-106.4	112.3	178	-60.2	-171	17.2	0	0	109	R304 N311	R304-Q308 HydrophobicContact CG-CG 4.03Å; R304-Q308 WeakPolarHBondContact O-CG 3.31Å; Q308-N311 HydrophobicContact CB-CB 3.8Å; Q308-N311 PolarHBondContact OE1-ND2 3.47Å
309	L	94.3	Very high	89.4	Confident	1 Å²	1	78 Å²	78	1%	0.005	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-46.3	-173.3	-170.8	62.2	0	0	0	112.8	K34 L38 V293 F297 F307 F322 L329	K34-L309 WeakPolarHBondContact CE-O 3.22Å; K34-L309 PolarHBondContact NZ-O 3.46Å; K34-L309 VanDerWaalsContact NZ-O 3.11Å; L38-L309 HydrophobicContact CD2-CD1 4.34Å; V293-L309 HydrophobicContact CG1-CD1 3.64Å; V293-L309 HydrophobicContact CG1-CD2 3.75Å; V293-L309 HydrophobicContact CG1-CG 4.35Å; F297-L309 HydrophobicContact CB-CB 4.26Å; F297-L309 VanDerWaalsContact O-CB 3.29Å; F297-L309 WeakPolarHBondContact O-CB 3.4Å; F297-L309 PolarHBondContact O-N 2.89Å; F307-L309 HydrophobicContact CE1-CB 4.49Å; F307-L309 HydrophobicContact CE1-CD1 3.99Å; L309-F322 HydrophobicContact CD1-CD2 4.08Å; L309-F322 HydrophobicContact CD1-CE2 3.82Å; L309-F322 HydrophobicContact CD2-CE2 4.19Å; L309-F322 HydrophobicContact CG-CD2 3.95Å; L309-F322 HydrophobicContact CG-CE2 3.94Å; L309-L329 HydrophobicContact CD2-CD1 4.48Å
310	F	94.6	Very high	89.5	Confident	10 Å²	10	73.3 Å²	73.3	4%	0.044	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	28.8	-174.5	-44.2	-60.3	0	0	0	112.8	R299 F322 D324 T326 L329	R299-F310 HydrophobicContact CG-CD2 3.91Å; F310-F322 HydrophobicContact CD1-CB 3.75Å; F310-F322 HydrophobicContact CD1-CD2 4.09Å; F310-F322 AromaticContact CD1-CG 3.99Å; F310-F322 HydrophobicContact CD1-CG 3.99Å; F310-F322 HydrophobicContact CE1-CB 4.23Å; F310-F322 HydrophobicContact CE1-CD1 4.48Å; F310-F322 HydrophobicContact CE1-CD2 4.02Å; F310-F322 HydrophobicContact CE1-CE2 4.47Å; F310-F322 AromaticContact CE1-CG 4Å; F310-F322 HydrophobicContact CE1-CG 4Å; F310-D324 CarbonylContact O-C 3.48Å; F310-D324 VanDerWaalsContact O-CA 3.25Å; F310-D324 WeakPolarHBondContact O-CA 3.02Å; F310-D324 VanDerWaalsContact O-O 3.12Å; F310-T326 HydrophobicContact CD1-CG2 3.72Å; F310-T326 HydrophobicContact CD2-CG2 4.46Å; F310-T326 WeakPolarHBondContact CD2-O 3.25Å; F310-T326 HydrophobicContact CE1-CG2 3.57Å; F310-T326 HydrophobicContact CE2-CG2 4.32Å; F310-T326 HydrophobicContact CG-CG2 4.18Å; F310-T326 WeakPolarHBondContact CG-O 3.46Å; F310-T326 HydrophobicContact CZ-CG2 3.89Å; F310-L329 HydrophobicContact CE1-CD1 4.15Å; F310-L329 HydrophobicContact CE1-CD2 4.15Å; F310-L329 HydrophobicContact CE1-CG 3.96Å; F310-L329 HydrophobicContact CZ-CD1 4.19Å; F310-L329 HydrophobicContact CZ-CD2 4.43Å; F310-L329 HydrophobicContact CZ-CG 3.83Å
311	N	92.3	Very high	89.6	Confident	60 Å²	60	65.3 Å²	65.3	32%	0.321	34%	0.339	S	S	.	.			trans	-128.3	126.2	175.2	-173	-16	0	0	0	109.8	K34 Q308 S313	K34-N311 WeakPolarHBondContact CE-O 3.4Å; K34-N311 PolarHBondContact NZ-O 2.88Å; Q308-N311 HydrophobicContact CB-CB 3.8Å; Q308-N311 PolarHBondContact OE1-ND2 3.47Å; N311-S313 PolarHBondContact ND2-OG 2.95Å; N311-S313 VanDerWaalsContact OD1-CB 3.28Å; N311-S313 WeakPolarHBondContact OD1-CB 3.47Å; N311-S313 PolarHBondContact OD1-N 2.96Å; N311-S313 PolarHBondContact OD1-OG 2.8Å
312	S	91.6	Very high	89.7	Confident	1 Å²	1	65 Å²	65	1%	0.007	33%	0.334	C	S	.	.			trans	-114.7	0.4	-179.2	-50.1	0	0	0	0	113.8	K34 L314 S315 E317 L320 D324	K34-S312 PolarHBondContact NZ-OG 2.97Å; S312-L314 PolarHBondContact O-N 3.39Å; S312-S315 WeakPolarHBondContact O-CB 3.34Å; S312-S315 PolarHBondContact O-N 3.15Å; S312-E317 CarbonylContact C-O 3.56Å; S312-E317 WeakPolarHBondContact CB-O 3.24Å; S312-E317 VanDerWaalsContact O-O 3.07Å; S312-L320 PolarHBondContact OG-N 3.45Å; S312-L320 VanDerWaalsContact OG-N 3.09Å; S312-D324 VanDerWaalsContact CB-OD1 3.23Å; S312-D324 WeakPolarHBondContact CB-OD1 3.38Å; S312-D324 WeakPolarHBondContact CB-OD2 3.38Å; S312-D324 PolarHBondContact N-OD1 3.41Å; S312-D324 PolarHBondContact OG-OD1 3.5Å
313	S	84.5	Confident	89.8	Confident	83 Å²	83	58.2 Å²	58.2	58%	0.58	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-52.1	-30	-176.7	56.3	0	0	0	0	115.1	N311 S315	N311-S313 PolarHBondContact ND2-OG 2.95Å; N311-S313 VanDerWaalsContact OD1-CB 3.28Å; N311-S313 WeakPolarHBondContact OD1-CB 3.47Å; N311-S313 PolarHBondContact OD1-N 2.96Å; N311-S313 PolarHBondContact OD1-OG 2.8Å; S313-S315 PolarHBondContact O-N 3.3Å
314	L	81.1	Confident	89.8	Confident	171 Å²	171	55 Å²	55	90%	0.895	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-72.9	-13.6	179.1	-63.5	176.7	0	0	0	114.1	S312	S312-L314 PolarHBondContact O-N 3.39Å
315	S	75.3	Confident	90	Very high	48 Å²	48	51 Å²	51	34%	0.336	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-101.1	-4.9	-173.4	-62	0	0	0	0	113.9	S312 S313 E317 L320	S312-S315 WeakPolarHBondContact O-CB 3.34Å; S312-S315 PolarHBondContact O-N 3.15Å; S313-S315 PolarHBondContact O-N 3.3Å; S315-E317 PolarHBondContact O-N 2.86Å; S315-L320 WeakPolarHBondContact OG-CD1 3.38Å
316	G	80.8	Confident	90.2	Very high	71 Å²	71	42.7 Å²	42.7	73%	0.732	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	2.6	-173.1	0	0	0	0	0	114.6
317	E	86.5	Confident	90.4	Very high	51 Å²	51	38.1 Å²	38.1	24%	0.238	23%	0.23	C	C	.	.	S	Bend	trans	-128.7	155.4	179	-67.1	-61	163.9	0	0	110	P30 H208 S312 S315 L320	P30-E317 HydrophobicContact CB-CG 4.32Å; P30-E317 HydrophobicContact CG-CG 4.05Å; H208-E317 IonicContact CD2-OE2 3.67Å; S312-E317 CarbonylContact C-O 3.56Å; S312-E317 WeakPolarHBondContact CB-O 3.24Å; S312-E317 VanDerWaalsContact O-O 3.07Å; S315-E317 PolarHBondContact O-N 2.86Å; E317-L320 HydrophobicContact CB-CD1 4.37Å; E317-L320 HydrophobicContact CB-CD2 4.1Å; E317-L320 HydrophobicContact CB-CG 4.37Å
318	S	89.2	Confident	90.4	Very high	42 Å²	42	41 Å²	41	29%	0.294	24%	0.242	S	C	.	.	S	Bend	trans	-102	157	178.6	-59.5	0	0	0	0	112	H208 L320	H208-S318 PolarHBondContact NE2-O 3.4Å; S318-L320 PolarHBondContact O-N 3.25Å
319	D	91.9	Very high	90.5	Very high	34 Å²	34	38.3 Å²	38.3	18%	0.182	23%	0.229	C	C	.	.			trans	58.7	46.1	169.8	-53.9	-39.9	0	0	0	114	F322 R323 D324	D319-F322 CarbonylContact C-O 3.27Å; D319-F322 VanDerWaalsContact C-O 3.25Å; D319-F322 VanDerWaalsContact CA-O 3.28Å; D319-F322 WeakPolarHBondContact CA-O 3.06Å; D319-R323 VanDerWaalsContact OD1-CA 3.27Å; D319-R323 WeakPolarHBondContact OD1-CA 3.24Å; D319-D324 PolarHBondContact N-OD2 3.27Å; D319-D324 VanDerWaalsContact N-OD2 3.11Å; D319-D324 PolarHBondContact OD1-N 2.97Å
320	L	93.6	Very high	90.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-84.9	125.5	176.6	-59.5	177.4	0	0	0	110.8	P30 E31 K34 S312 S315 E317 S318 F322	P30-L320 HydrophobicContact CB-CD1 3.87Å; P30-L320 HydrophobicContact CB-CD2 3.92Å; E31-L320 HydrophobicContact CB-CD2 4.07Å; K34-L320 HydrophobicContact CD-CB 3.51Å; K34-L320 HydrophobicContact CD-CD1 4.31Å; K34-L320 WeakPolarHBondContact CD-O 3.42Å; K34-L320 WeakPolarHBondContact CE-O 3.42Å; K34-L320 PolarHBondContact NZ-O 3.45Å; S312-L320 PolarHBondContact OG-N 3.45Å; S312-L320 VanDerWaalsContact OG-N 3.09Å; S315-L320 WeakPolarHBondContact OG-CD1 3.38Å; E317-L320 HydrophobicContact CB-CD1 4.37Å; E317-L320 HydrophobicContact CB-CD2 4.1Å; E317-L320 HydrophobicContact CB-CG 4.37Å; S318-L320 PolarHBondContact O-N 3.25Å; L320-F322 PolarHBondContact O-N 3.34Å
321	L	93.9	Very high	90.4	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	24%	0.244	C	C	.	.	S	Bend	trans	66.4	-41.3	-172.4	-51	171.8	0	0	0	114.7	W24 T26 E31 K34 C35 A81	W24-L321 HydrophobicContact CZ2-CB 4.23Å; W24-L321 HydrophobicContact CZ2-CD2 4.44Å; T26-L321 HydrophobicContact CG2-CD2 4.01Å; E31-L321 HydrophobicContact CG-CD2 3.38Å; E31-L321 HydrophobicContact CG-CG 3.88Å; E31-L321 WeakPolarHBondContact OE1-CA 3.41Å; E31-L321 PolarHBondContact OE1-N 2.87Å; K34-L321 HydrophobicContact CB-CD1 4.25Å; K34-L321 HydrophobicContact CD-CD1 4.05Å; K34-L321 HydrophobicContact CD-CG 4.27Å; K34-L321 HydrophobicContact CG-CD1 3.84Å; K34-L321 HydrophobicContact CG-CG 4.44Å; C35-L321 HydrophobicContact CB-CD1 4.45Å; C35-L321 HydrophobicContact CB-CD2 4.07Å; A81-L321 WeakPolarHBondContact CB-O 3.42Å
322	F	94.4	Very high	90.3	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.022	23%	0.229	C	C	.	.	S	Bend	trans	-145.8	158.8	-179.9	-66.9	-70	0	0	0	108.4	W24 A81 E102 M276 L309 F310 D319 L320 L329	W24-F322 HydrophobicContact CH2-CE1 4.49Å; W24-F322 AromaticContact CH2-CE2 3.53Å; W24-F322 HydrophobicContact CH2-CE2 3.53Å; W24-F322 AromaticContact CH2-CZ 3.46Å; W24-F322 HydrophobicContact CH2-CZ 3.46Å; W24-F322 VanDerWaalsContact CH2-CZ 3.46Å; W24-F322 AromaticContact CZ2-CE2 3.94Å; W24-F322 HydrophobicContact CZ2-CE2 3.94Å; W24-F322 AromaticContact CZ2-CZ 3.9Å; W24-F322 HydrophobicContact CZ2-CZ 3.9Å; A81-F322 HydrophobicContact CB-CD1 4.2Å; A81-F322 HydrophobicContact CB-CE1 4.13Å; E102-F322 HydrophobicContact CG-CD1 4.37Å; E102-F322 WeakPolarHBondContact OE1-CA 3.45Å; E102-F322 WeakPolarHBondContact OE1-CB 3.27Å; E102-F322 WeakPolarHBondContact OE1-CD1 3.39Å; M276-F322 HydrophobicContact CE-CE1 4.15Å; M276-F322 HydrophobicContact CE-CZ 3.85Å; M276-F322 HydrophobicContact CG-CE1 4Å; M276-F322 HydrophobicContact SD-CE1 3.66Å; M276-F322 HydrophobicContact SD-CZ 3.65Å; L309-F322 HydrophobicContact CD1-CD2 4.08Å; L309-F322 HydrophobicContact CD1-CE2 3.82Å; L309-F322 HydrophobicContact CD2-CE2 4.19Å; L309-F322 HydrophobicContact CG-CD2 3.95Å; L309-F322 HydrophobicContact CG-CE2 3.94Å; F310-F322 HydrophobicContact CD1-CB 3.75Å; F310-F322 HydrophobicContact CD1-CD2 4.09Å; F310-F322 AromaticContact CD1-CG 3.99Å; F310-F322 HydrophobicContact CD1-CG 3.99Å; F310-F322 HydrophobicContact CE1-CB 4.23Å; F310-F322 HydrophobicContact CE1-CD1 4.48Å; F310-F322 HydrophobicContact CE1-CD2 4.02Å; F310-F322 HydrophobicContact CE1-CE2 4.47Å; F310-F322 AromaticContact CE1-CG 4Å; F310-F322 HydrophobicContact CE1-CG 4Å; D319-F322 CarbonylContact C-O 3.27Å; D319-F322 VanDerWaalsContact C-O 3.25Å; D319-F322 VanDerWaalsContact CA-O 3.28Å; D319-F322 WeakPolarHBondContact CA-O 3.06Å; L320-F322 PolarHBondContact O-N 3.34Å; F322-L329 HydrophobicContact CD1-CD2 4.05Å; F322-L329 HydrophobicContact CE1-CD1 3.82Å; F322-L329 HydrophobicContact CE1-CD2 3.76Å; F322-L329 HydrophobicContact CE1-CG 4.44Å; F322-L329 HydrophobicContact CE2-CD1 4.3Å; F322-L329 HydrophobicContact CZ-CD1 3.6Å; F322-L329 HydrophobicContact CZ-CD2 4.4Å
323	R	92.9	Very high	90.1	Very high	20 Å²	20	40.5 Å²	40.5	8%	0.075	25%	0.247	C	C	.	.			trans	-63.2	141.1	171.1	-63.1	-177.2	-179.5	-154	-5.3	110.4	D83 E102 Y104 D233 D319 A325 T326	D83-R323 IonicContact OD2-CZ 3.99Å; D83-R323 IonicContact OD2-NH2 3.57Å; D83-R323 PolarHBondContact OD2-NH2 2.83Å; E102-R323 PolarHBondContact OE1-N 3.21Å; E102-R323 WeakPolarHBondContact OE2-CD 3.16Å; E102-R323 WeakPolarHBondContact OE2-CG 3.06Å; E102-R323 IonicContact OE2-NE 3.14Å; Y104-R323 HydrophobicContact CE1-CB 4.31Å; Y104-R323 WeakPolarHBondContact OH-CD 3.43Å; D233-R323 IonicContact OD1-NH1 3.37Å; D233-R323 IonicContact OD2-CZ 3.77Å; D233-R323 VanDerWaalsContact OD2-CZ 3.25Å; D233-R323 IonicContact OD2-NH1 2.91Å; D233-R323 PolarHBondContact OD2-NH1 3.35Å; D233-R323 IonicContact OD2-NH2 3.75Å; D233-R323 PolarHBondContact OD2-NH2 3.17Å; D319-R323 VanDerWaalsContact OD1-CA 3.27Å; D319-R323 WeakPolarHBondContact OD1-CA 3.24Å; R323-A325 PolarHBondContact O-N 2.96Å; R323-T326 VanDerWaalsContact O-CB 3.24Å; R323-T326 WeakPolarHBondContact O-CB 3.32Å; R323-T326 PolarHBondContact O-N 2.55Å; R323-T326 VanDerWaalsContact O-N 3.13Å; R323-T326 PolarHBondContact O-OG1 2.8Å; R323-T326 VanDerWaalsContact O-OG1 3.06Å
324	D	93.5	Very high	89.9	Confident	34 Å²	34	40.1 Å²	40.1	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-26.9	-178.9	-68.5	-30.6	0	0	0	111.5	R299 F310 S312 D319 T326	R299-D324 PolarHBondContact NH2-O 3.23Å; F310-D324 CarbonylContact O-C 3.48Å; F310-D324 VanDerWaalsContact O-CA 3.25Å; F310-D324 WeakPolarHBondContact O-CA 3.02Å; F310-D324 VanDerWaalsContact O-O 3.12Å; S312-D324 VanDerWaalsContact CB-OD1 3.23Å; S312-D324 WeakPolarHBondContact CB-OD1 3.38Å; S312-D324 WeakPolarHBondContact CB-OD2 3.38Å; S312-D324 PolarHBondContact N-OD1 3.41Å; S312-D324 PolarHBondContact OG-OD1 3.5Å; D319-D324 PolarHBondContact N-OD2 3.27Å; D319-D324 VanDerWaalsContact N-OD2 3.11Å; D319-D324 PolarHBondContact OD1-N 2.97Å; D324-T326 PolarHBondContact O-N 3.3Å
325	A	92.9	Very high	89.6	Confident	21 Å²	21	38.8 Å²	38.8	17%	0.174	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.4	173.7	0	0	0	0	0	114	Y104 L235 R323 D327	Y104-A325 HydrophobicContact CD1-CB 4.31Å; L235-A325 HydrophobicContact CB-CB 4.09Å; L235-A325 HydrophobicContact CD1-CB 3.95Å; L235-A325 HydrophobicContact CD2-CB 4.4Å; L235-A325 HydrophobicContact CG-CB 4.38Å; R323-A325 PolarHBondContact O-N 2.96Å; A325-D327 PolarHBondContact O-N 3.47Å
326	T	94.4	Very high	89.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.229	C	C	.	.			trans	-62.2	124.9	-179.9	-60.8	0	0	0	0	110.8	E102 R299 F310 R323 D324 K328 L329	E102-T326 HydrophobicContact CB-CG2 4.03Å; E102-T326 HydrophobicContact CG-CG2 4.08Å; E102-T326 PolarHBondContact OE1-OG1 2.77Å; R299-T326 PolarHBondContact NE-O 3.1Å; F310-T326 HydrophobicContact CD1-CG2 3.72Å; F310-T326 HydrophobicContact CD2-CG2 4.46Å; F310-T326 WeakPolarHBondContact CD2-O 3.25Å; F310-T326 HydrophobicContact CE1-CG2 3.57Å; F310-T326 HydrophobicContact CE2-CG2 4.32Å; F310-T326 HydrophobicContact CG-CG2 4.18Å; F310-T326 WeakPolarHBondContact CG-O 3.46Å; F310-T326 HydrophobicContact CZ-CG2 3.89Å; R323-T326 VanDerWaalsContact O-CB 3.24Å; R323-T326 WeakPolarHBondContact O-CB 3.32Å; R323-T326 PolarHBondContact O-N 2.55Å; R323-T326 VanDerWaalsContact O-N 3.13Å; R323-T326 PolarHBondContact O-OG1 2.8Å; R323-T326 VanDerWaalsContact O-OG1 3.06Å; D324-T326 PolarHBondContact O-N 3.3Å; T326-K328 WeakPolarHBondContact CG2-O 3.45Å; T326-L329 HydrophobicContact CG2-CD2 4.14Å
327	D	93.4	Very high	90.1	Very high	59 Å²	59	39.1 Å²	39.1	32%	0.316	21%	0.212	S	C	.	.			trans	-86.7	-50.1	175.5	-175.9	58.8	0	0	0	110.6	V103 R299 A325	V103-D327 PolarHBondContact O-N 2.86Å; R299-D327 WeakPolarHBondContact CD-OD1 3.42Å; A325-D327 PolarHBondContact O-N 3.47Å
328	K	94.3	Very high	90.1	Very high	81 Å²	81	37.2 Å²	37.2	35%	0.352	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	163.7	179.9	68	-178.7	-177.2	176.8	0	112.1	V103 Q294 T326	V103-K328 HydrophobicContact CB-CG 3.87Å; V103-K328 HydrophobicContact CG1-CG 4.31Å; V103-K328 PolarHBondContact N-O 3.49Å; V103-K328 PolarHBondContact O-N 2.94Å; Q294-K328 VanDerWaalsContact OE1-CA 3.23Å; Q294-K328 VanDerWaalsContact OE1-CB 3.32Å; T326-K328 WeakPolarHBondContact CG2-O 3.45Å
329	L	94.6	Very high	89.9	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.4	169.3	-58.8	172.4	0	0	0	109.4	K101 E102 M276 I290 Q294 L309 F310 F322 T326	K101-L329 CarbonylContact O-C 3.59Å; K101-L329 VanDerWaalsContact O-CA 3.24Å; K101-L329 WeakPolarHBondContact O-CA 3.24Å; E102-L329 HydrophobicContact CG-CD2 3.88Å; M276-L329 HydrophobicContact SD-CD1 4.3Å; I290-L329 HydrophobicContact CG2-CB 4.34Å; I290-L329 HydrophobicContact CG2-CD1 3.66Å; Q294-L329 PolarHBondContact NE2-O 3.21Å; L309-L329 HydrophobicContact CD2-CD1 4.48Å; F310-L329 HydrophobicContact CE1-CD1 4.15Å; F310-L329 HydrophobicContact CE1-CD2 4.15Å; F310-L329 HydrophobicContact CE1-CG 3.96Å; F310-L329 HydrophobicContact CZ-CD1 4.19Å; F310-L329 HydrophobicContact CZ-CD2 4.43Å; F310-L329 HydrophobicContact CZ-CG 3.83Å; F322-L329 HydrophobicContact CD1-CD2 4.05Å; F322-L329 HydrophobicContact CE1-CD1 3.82Å; F322-L329 HydrophobicContact CE1-CD2 3.76Å; F322-L329 HydrophobicContact CE1-CG 4.44Å; F322-L329 HydrophobicContact CE2-CD1 4.3Å; F322-L329 HydrophobicContact CZ-CD1 3.6Å; F322-L329 HydrophobicContact CZ-CD2 4.4Å; T326-L329 HydrophobicContact CG2-CD2 4.14Å
330	V	93	Very high	89.5	Confident	23 Å²	23	40.1 Å²	40.1	14%	0.139	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.2	170.8	170.7	0	0	0	0	108.5	A100 K101 V103 L332 F728	A100-V330 CarbonylContact C-O 3.53Å; A100-V330 WeakPolarHBondContact CA-O 3.45Å; A100-V330 WeakPolarHBondContact CB-O 3.15Å; K101-V330 PolarHBondContact N-O 3.4Å; K101-V330 PolarHBondContact O-N 3.04Å; V103-V330 HydrophobicContact CG2-CB 4.34Å; V103-V330 HydrophobicContact CG2-CG2 3.54Å; V330-L332 HydrophobicContact CG1-CD2 4.47Å; V330-F728 HydrophobicContact CG1-CB 3.86Å; V330-F728 HydrophobicContact CG1-CG 4.41Å; V330-F728 HydrophobicContact CG2-CB 4.39Å
331	V	93.7	Very high	89.1	Confident	34 Å²	34	40.3 Å²	40.3	21%	0.206	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.5	175.4	179.4	0	0	0	0	109.5	A100 R287 I290	A100-V331 HydrophobicContact CB-CG2 4.48Å; R287-V331 HydrophobicContact CB-CG1 3.82Å; R287-V331 HydrophobicContact CG-CG1 3.67Å; I290-V331 HydrophobicContact CG2-CG2 4.12Å
332	L	91.1	Very high	88.8	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-75.8	146.9	-171.1	-60.5	172.2	0	0	0	112.3	L98 V99 K101 R287 V330 V341	L98-L332 HydrophobicContact CB-CD1 4.35Å; L98-L332 HydrophobicContact CD2-CD1 3.82Å; L98-L332 HydrophobicContact CG-CD1 3.57Å; V99-L332 PolarHBondContact O-N 3.36Å; K101-L332 HydrophobicContact CD-CD2 4.4Å; K101-L332 HydrophobicContact CG-CD1 4.44Å; K101-L332 HydrophobicContact CG-CD2 4.31Å; R287-L332 PolarHBondContact NE-O 3.04Å; R287-L332 PolarHBondContact NH1-O 2.86Å; R287-L332 PolarHBondContact NH2-O 3.29Å; V330-L332 HydrophobicContact CG1-CD2 4.47Å; L332-V341 HydrophobicContact CD1-CG1 3.64Å; L332-V341 HydrophobicContact CD1-CG2 4.13Å; L332-V341 HydrophobicContact CD2-CG1 4.02Å; L332-V341 HydrophobicContact CG-CG1 4.49Å
333	P	87.1	Confident	88.5	Confident	58 Å²	58	40.7 Å²	40.7	38%	0.377	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-56.2	169.4	169.8	-24	34.1	0	0	0	113.9	R283 M336	R283-P333 PolarHBondContact NH2-O 2.81Å; P333-M336 HydrophobicContact CB-CG 4.04Å; P333-M336 HydrophobicContact CB-SD 4.39Å; P333-M336 HydrophobicContact CG-CG 4.31Å; P333-M336 HydrophobicContact CG-SD 4.46Å
334	N	79.2	Confident	88.1	Confident	76 Å²	76	42.2 Å²	42.2	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	154	172.3	-69.4	-25.7	0	0	0	109.6	R283 R287 M336	R283-N334 VanDerWaalsContact NH2-CA 3.35Å; R287-N334 VanDerWaalsContact NH1-N 3.18Å; R287-N334 PolarHBondContact NH1-OD1 3.37Å; N334-M336 PolarHBondContact O-N 2.87Å
335	D	76.6	Confident	87.7	Confident	143 Å²	143	44.7 Å²	44.7	77%	0.765	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	15.1	168	-43	-37.4	0	0	0	117.3	R283 D337	R283-D335 IonicContact NH1-OD1 2.85Å; R283-D335 PolarHBondContact NH1-OD1 3.4Å; D335-D337 PolarHBondContact O-N 3.35Å
336	M	81.6	Confident	87.5	Confident	56 Å²	56	44.2 Å²	44.2	28%	0.276	24%	0.237	S	C	.	.			trans	-60.9	129.1	165.6	-63.8	-60.3	-59.9	0	0	110.7	P333 N334 Q340 V341 F728	P333-M336 HydrophobicContact CB-CG 4.04Å; P333-M336 HydrophobicContact CB-SD 4.39Å; P333-M336 HydrophobicContact CG-CG 4.31Å; P333-M336 HydrophobicContact CG-SD 4.46Å; N334-M336 PolarHBondContact O-N 2.87Å; M336-Q340 HydrophobicContact CE-CB 3.94Å; M336-Q340 VanDerWaalsContact CE-OE1 3.25Å; M336-V341 HydrophobicContact CB-CG2 3.76Å; M336-V341 HydrophobicContact CE-CG2 4.43Å; M336-F728 HydrophobicContact CE-CZ 4.38Å
337	D	84.8	Confident	87.2	Confident	70 Å²	70	44.6 Å²	44.6	37%	0.374	24%	0.239	S	C	.	.			trans	-72.2	143.1	170.9	-172.4	-90.5	0	0	0	110.3	D335 S339 Q340 V341	D335-D337 PolarHBondContact O-N 3.35Å; D337-S339 PolarHBondContact O-N 3.25Å; D337-S339 WeakPolarHBondContact OD1-CB 3.27Å; D337-S339 PolarHBondContact OD1-N 2.81Å; D337-S339 PolarHBondContact OD1-OG 2.97Å; D337-Q340 HydrophobicContact CB-CG 4.25Å; D337-Q340 WeakPolarHBondContact O-CB 3.47Å; D337-Q340 PolarHBondContact O-N 3.49Å; D337-Q340 VanDerWaalsContact O-N 3.07Å; D337-V341 WeakPolarHBondContact O-CG2 3.35Å; D337-V341 PolarHBondContact O-N 3.08Å
338	V	85.9	Confident	86.8	Confident	11 Å²	11	42 Å²	42	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-30.8	-178.5	68.9	0	0	0	0	112.4	Y88 V91 K92 V341 M342	Y88-V338 HydrophobicContact CD2-CG2 4.41Å; Y88-V338 HydrophobicContact CE2-CG1 4.35Å; V91-V338 HydrophobicContact CB-CG2 4.42Å; V91-V338 HydrophobicContact CG1-CB 4.1Å; V91-V338 HydrophobicContact CG1-CG1 4.14Å; V91-V338 HydrophobicContact CG1-CG2 4.33Å; V91-V338 HydrophobicContact CG2-CG2 4.32Å; K92-V338 HydrophobicContact CD-CG1 4.49Å; V338-V341 PolarHBondContact O-N 2.85Å; V338-M342 HydrophobicContact CG2-CE 3.6Å; V338-M342 HydrophobicContact CG2-CG 4.05Å; V338-M342 HydrophobicContact CG2-SD 3.64Å; V338-M342 WeakPolarHBondContact O-CB 3.44Å; V338-M342 WeakPolarHBondContact O-CG 3.27Å; V338-M342 PolarHBondContact O-N 2.88Å
339	S	84	Confident	86.5	Confident	28 Å²	28	39 Å²	39	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-37.7	175.4	66.3	0	0	0	0	113.2	D337 V341 G343	D337-S339 PolarHBondContact O-N 3.25Å; D337-S339 WeakPolarHBondContact OD1-CB 3.27Å; D337-S339 PolarHBondContact OD1-N 2.81Å; D337-S339 PolarHBondContact OD1-OG 2.97Å; S339-V341 VanDerWaalsContact C-N 3.25Å; S339-V341 PolarHBondContact O-N 3.03Å; S339-G343 CarbonylContact O-C 3.58Å; S339-G343 WeakPolarHBondContact O-CA 3.18Å; S339-G343 PolarHBondContact O-N 2.96Å
340	Q	83.7	Confident	86.2	Confident	109 Å²	109	38.7 Å²	38.7	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-67.1	-31.9	174.9	-63.8	173.7	-5.8	0	0	111.5	M336 D337	M336-Q340 HydrophobicContact CE-CB 3.94Å; M336-Q340 VanDerWaalsContact CE-OE1 3.25Å; D337-Q340 HydrophobicContact CB-CG 4.25Å; D337-Q340 WeakPolarHBondContact O-CB 3.47Å; D337-Q340 PolarHBondContact O-N 3.49Å; D337-Q340 VanDerWaalsContact O-N 3.07Å
341	V	85.9	Confident	85.8	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-84.6	-32.4	-176.3	-176.8	0	0	0	0	112.3	L98 K101 L332 M336 D337 V338 S339 V724	L98-V341 HydrophobicContact CD2-CB 4.21Å; L98-V341 HydrophobicContact CD2-CG1 3.45Å; L98-V341 VanDerWaalsContact CD2-CG1 3.45Å; K101-V341 HydrophobicContact CD-CG1 3.58Å; K101-V341 HydrophobicContact CG-CG1 4.06Å; K101-V341 PolarHBondContact NZ-O 3.31Å; L332-V341 HydrophobicContact CD1-CG1 3.64Å; L332-V341 HydrophobicContact CD1-CG2 4.13Å; L332-V341 HydrophobicContact CD2-CG1 4.02Å; L332-V341 HydrophobicContact CG-CG1 4.49Å; M336-V341 HydrophobicContact CB-CG2 3.76Å; M336-V341 HydrophobicContact CE-CG2 4.43Å; D337-V341 WeakPolarHBondContact O-CG2 3.35Å; D337-V341 PolarHBondContact O-N 3.08Å; V338-V341 PolarHBondContact O-N 2.85Å; S339-V341 VanDerWaalsContact C-N 3.25Å; S339-V341 PolarHBondContact O-N 3.03Å; V341-V724 WeakPolarHBondContact O-CG1 3.28Å
342	M	87.9	Confident	85.2	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.039	21%	0.211	C	C	.	.	H	α-helix	trans	-96.9	-23.1	-177.5	-70.8	-172.1	176.2	0	0	114	A84 V87 Y88 L98 P272 V338 Y346 V347	A84-M342 WeakPolarHBondContact O-CE 3.26Å; V87-M342 HydrophobicContact CB-CE 3.53Å; V87-M342 HydrophobicContact CG1-CE 3.21Å; Y88-M342 HydrophobicContact CD2-SD 3.71Å; Y88-M342 HydrophobicContact CG-SD 4.27Å; L98-M342 HydrophobicContact CD2-CE 4.43Å; P272-M342 HydrophobicContact CG-CB 4.33Å; V338-M342 HydrophobicContact CG2-CE 3.6Å; V338-M342 HydrophobicContact CG2-CG 4.05Å; V338-M342 HydrophobicContact CG2-SD 3.64Å; V338-M342 WeakPolarHBondContact O-CB 3.44Å; V338-M342 WeakPolarHBondContact O-CG 3.27Å; V338-M342 PolarHBondContact O-N 2.88Å; M342-Y346 HydrophobicContact CB-CD1 4.27Å; M342-V347 HydrophobicContact CB-CG2 3.85Å; M342-V347 HydrophobicContact SD-CG2 4.5Å
343	G	87.9	Confident	84.9	Confident	10 Å²	10	39.6 Å²	39.6	10%	0.103	21%	0.213	C	C	.	.			trans	94.4	139.7	-173.3	0	0	0	0	0	111.9	S339 D345 Y346 V347 V724	S339-G343 CarbonylContact O-C 3.58Å; S339-G343 WeakPolarHBondContact O-CA 3.18Å; S339-G343 PolarHBondContact O-N 2.96Å; G343-D345 PolarHBondContact O-N 2.65Å; G343-Y346 PolarHBondContact O-N 2.04Å; G343-V347 WeakPolarHBondContact O-CG2 3.43Å; G343-V347 PolarHBondContact O-N 3.3Å; G343-V724 VanDerWaalsContact CA-CG2 3.45Å
344	L	85.1	Confident	84.6	Confident	53 Å²	53	38.3 Å²	38.3	28%	0.277	21%	0.205	S	C	.	.	H	α-helix	trans	-59.8	-45.5	-176.9	-64.5	179.1	0	0	0	111.6	Y346 V347 A348 R407 F719	L344-Y346 PolarHBondContact O-N 3.46Å; L344-V347 PolarHBondContact O-N 3.4Å; L344-A348 WeakPolarHBondContact O-CB 3.26Å; L344-A348 PolarHBondContact O-N 3.2Å; L344-R407 HydrophobicContact CD1-CG 4.14Å; L344-F719 HydrophobicContact CD1-CE2 4.16Å; L344-F719 HydrophobicContact CD1-CZ 3.74Å
345	D	84.2	Confident	84.2	Confident	86 Å²	86	34.9 Å²	34.9	46%	0.46	19%	0.187	S	C	.	.	H	α-helix	trans	-61.3	-44.2	-178.8	-60	-29	0	0	0	111.8	G343 A348 L349 K406	G343-D345 PolarHBondContact O-N 2.65Å; D345-A348 PolarHBondContact O-N 2.94Å; D345-L349 WeakPolarHBondContact O-CB 3.36Å; D345-L349 PolarHBondContact O-N 3.01Å; D345-K406 WeakPolarHBondContact OD1-CD 3.49Å; D345-K406 WeakPolarHBondContact OD1-CE 3.47Å; D345-K406 IonicContact OD1-NZ 3.6Å; D345-K406 PolarHBondContact OD1-NZ 2.97Å; D345-K406 IonicContact OD2-NZ 3.54Å; D345-K406 PolarHBondContact OD2-NZ 2.94Å
346	Y	88.9	Confident	83.7	Confident	10 Å²	10	32 Å²	32	4%	0.039	17%	0.169	C	C	.	.	H	α-helix	trans	-70.2	-42.3	179.5	-172.5	-113	0	0	0	111.7	A84 G85 T139 L144 P272 M342 G343 L344 A348 L349 L350	A84-Y346 HydrophobicContact CB-CE1 3.84Å; G85-Y346 VanDerWaalsContact CA-OH 3.29Å; G85-Y346 WeakPolarHBondContact CA-OH 3.5Å; G85-Y346 PolarHBondContact N-OH 3.36Å; G85-Y346 VanDerWaalsContact N-OH 3.16Å; T139-Y346 WeakPolarHBondContact CA-OH 3.47Å; T139-Y346 HydrophobicContact CG2-CE2 3.74Å; T139-Y346 PolarHBondContact OG1-OH 2.99Å; L144-Y346 HydrophobicContact CD2-CD2 4.46Å; P272-Y346 VanDerWaalsContact CD-CG 3.41Å; P272-Y346 HydrophobicContact CG-CD1 3.3Å; P272-Y346 HydrophobicContact CG-CE1 3.56Å; P272-Y346 HydrophobicContact CG-CG 3.89Å; M342-Y346 HydrophobicContact CB-CD1 4.27Å; G343-Y346 PolarHBondContact O-N 2.04Å; L344-Y346 PolarHBondContact O-N 3.46Å; Y346-A348 VanDerWaalsContact C-N 3.33Å; Y346-A348 PolarHBondContact O-N 3.5Å; Y346-L349 HydrophobicContact CD2-CD2 4.19Å; Y346-L349 HydrophobicContact CE2-CD2 4.37Å; Y346-L349 WeakPolarHBondContact O-CB 3.28Å; Y346-L349 PolarHBondContact O-N 3.04Å; Y346-L350 HydrophobicContact CD1-CD1 3.97Å; Y346-L350 HydrophobicContact CD1-CG 4.28Å; Y346-L350 HydrophobicContact CE1-CD1 3.46Å; Y346-L350 VanDerWaalsContact CE1-CD1 3.46Å; Y346-L350 HydrophobicContact CE1-CD2 4.31Å; Y346-L350 HydrophobicContact CE1-CG 3.95Å; Y346-L350 HydrophobicContact CE2-CD2 4.12Å; Y346-L350 HydrophobicContact CE2-CG 4.31Å; Y346-L350 VanDerWaalsContact O-CG 3.32Å; Y346-L350 WeakPolarHBondContact O-CG 3.34Å; Y346-L350 PolarHBondContact O-N 3.13Å
347	V	88.6	Confident	82.8	Confident	9 Å²	9	30.8 Å²	30.8	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-43.9	174.8	163.1	0	0	0	0	111.7	Y88 M342 G343 L344 L349 L350 K351	Y88-V347 HydrophobicContact CD2-CG2 4.05Å; Y88-V347 HydrophobicContact CE2-CB 4.12Å; Y88-V347 HydrophobicContact CE2-CG1 3.66Å; Y88-V347 HydrophobicContact CE2-CG2 3.7Å; M342-V347 HydrophobicContact CB-CG2 3.85Å; M342-V347 HydrophobicContact SD-CG2 4.5Å; G343-V347 WeakPolarHBondContact O-CG2 3.43Å; G343-V347 PolarHBondContact O-N 3.3Å; L344-V347 PolarHBondContact O-N 3.4Å; V347-L349 VanDerWaalsContact C-N 3.34Å; V347-L349 PolarHBondContact O-N 3.16Å; V347-L350 PolarHBondContact O-N 2.8Å; V347-K351 HydrophobicContact CG1-CD 4.32Å; V347-K351 WeakPolarHBondContact O-CG 3.39Å; V347-K351 PolarHBondContact O-N 2.68Å
348	A	84.1	Confident	81.5	Confident	3 Å²	3	33.2 Å²	33.2	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-38.4	179.2	0	0	0	0	0	112	L344 D345 Y346 K351 G352 D408 R637	L344-A348 WeakPolarHBondContact O-CB 3.26Å; L344-A348 PolarHBondContact O-N 3.2Å; D345-A348 PolarHBondContact O-N 2.94Å; Y346-A348 VanDerWaalsContact C-N 3.33Å; Y346-A348 PolarHBondContact O-N 3.5Å; A348-K351 PolarHBondContact O-N 3.49Å; A348-G352 PolarHBondContact O-N 3.16Å; A348-D408 HydrophobicContact CB-CB 4.39Å; A348-R637 VanDerWaalsContact CB-CD 3.42Å
349	L	88.3	Confident	79.9	Confident	19 Å²	19	35 Å²	35	10%	0.099	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-51	169.4	171.8	64.2	0	0	0	111	L144 D345 Y346 V347 K351 G352 L353 V639	L144-L349 HydrophobicContact CD2-CD2 3.85Å; D345-L349 WeakPolarHBondContact O-CB 3.36Å; D345-L349 PolarHBondContact O-N 3.01Å; Y346-L349 HydrophobicContact CD2-CD2 4.19Å; Y346-L349 HydrophobicContact CE2-CD2 4.37Å; Y346-L349 WeakPolarHBondContact O-CB 3.28Å; Y346-L349 PolarHBondContact O-N 3.04Å; V347-L349 VanDerWaalsContact C-N 3.34Å; V347-L349 PolarHBondContact O-N 3.16Å; L349-K351 PolarHBondContact O-N 3.19Å; L349-G352 PolarHBondContact O-N 3.36Å; L349-L353 HydrophobicContact CD1-CD1 3.75Å; L349-L353 HydrophobicContact CD1-CD2 4.47Å; L349-L353 HydrophobicContact CD1-CG 3.96Å; L349-L353 HydrophobicContact CG-CD1 3.97Å; L349-L353 HydrophobicContact CG-CG 4.47Å; L349-L353 VanDerWaalsContact O-CG 3.3Å; L349-L353 WeakPolarHBondContact O-CG 3.31Å; L349-L353 PolarHBondContact O-N 2.94Å; L349-V639 HydrophobicContact CD1-CB 4.03Å; L349-V639 HydrophobicContact CD1-CG2 4.05Å
350	L	89.4	Confident	78.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-40.9	-178.1	-67.4	-172.3	0	0	0	113	Y88 S143 Y346 V347 L353 S354 H355	Y88-L350 HydrophobicContact CD1-CB 3.84Å; Y88-L350 HydrophobicContact CD1-CD1 3.78Å; Y88-L350 HydrophobicContact CD2-CD1 4.04Å; Y88-L350 HydrophobicContact CE1-CB 4.04Å; Y88-L350 HydrophobicContact CG-CB 4.26Å; Y88-L350 HydrophobicContact CG-CD1 3.42Å; Y88-L350 VanDerWaalsContact CG-CD1 3.42Å; S143-L350 WeakPolarHBondContact OG-CD2 3.42Å; Y346-L350 HydrophobicContact CD1-CD1 3.97Å; Y346-L350 HydrophobicContact CD1-CG 4.28Å; Y346-L350 HydrophobicContact CE1-CD1 3.46Å; Y346-L350 VanDerWaalsContact CE1-CD1 3.46Å; Y346-L350 HydrophobicContact CE1-CD2 4.31Å; Y346-L350 HydrophobicContact CE1-CG 3.95Å; Y346-L350 HydrophobicContact CE2-CD2 4.12Å; Y346-L350 HydrophobicContact CE2-CG 4.31Å; Y346-L350 VanDerWaalsContact O-CG 3.32Å; Y346-L350 WeakPolarHBondContact O-CG 3.34Å; Y346-L350 PolarHBondContact O-N 3.13Å; V347-L350 PolarHBondContact O-N 2.8Å; L350-L353 PolarHBondContact O-N 3.23Å; L350-S354 PolarHBondContact O-N 3.32Å; L350-H355 HydrophobicContact CB-CB 4.09Å; L350-H355 VanDerWaalsContact O-CB 3.26Å; L350-H355 WeakPolarHBondContact O-CB 3.24Å; L350-H355 PolarHBondContact O-CD2 2.91Å; L350-H355 PolarHBondContact O-N 2.95Å
351	K	84.3	Confident	76.8	Confident	61 Å²	61	43.1 Å²	43.1	27%	0.265	25%	0.246	S	C	.	.	H	α-helix	trans	-59.9	-48.7	172.6	-74.5	179.1	168.4	-178.7	0	111.5	Y88 V347 A348 L349 L353 S354 E356 D408	Y88-K351 HydrophobicContact CE1-CG 4.35Å; Y88-K351 VanDerWaalsContact OH-CE 3.31Å; Y88-K351 WeakPolarHBondContact OH-CE 3.35Å; Y88-K351 WeakPolarHBondContact OH-CG 3.3Å; V347-K351 HydrophobicContact CG1-CD 4.32Å; V347-K351 WeakPolarHBondContact O-CG 3.39Å; V347-K351 PolarHBondContact O-N 2.68Å; A348-K351 PolarHBondContact O-N 3.49Å; L349-K351 PolarHBondContact O-N 3.19Å; K351-L353 VanDerWaalsContact C-N 3.25Å; K351-L353 PolarHBondContact O-N 3.16Å; K351-S354 WeakPolarHBondContact O-CA 3.42Å; K351-S354 PolarHBondContact O-N 3.37Å; K351-E356 HydrophobicContact CG-CG 4.44Å; K351-D408 WeakPolarHBondContact CD-OD2 3.48Å; K351-D408 WeakPolarHBondContact CE-OD2 3.44Å; K351-D408 IonicContact NZ-OD2 2.69Å; K351-D408 PolarHBondContact NZ-OD2 3.47Å
352	G	80.8	Confident	75.6	Confident	6 Å²	6	44.8 Å²	44.8	6%	0.062	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-33.1	178.3	0	0	0	0	0	113.2	W157 A348 L349 S354	W157-G352 WeakPolarHBondContact CH2-O 3.33Å; W157-G352 WeakPolarHBondContact CZ3-O 3.44Å; A348-G352 PolarHBondContact O-N 3.16Å; L349-G352 PolarHBondContact O-N 3.36Å; G352-S354 PolarHBondContact O-N 2.88Å
353	L	84.7	Confident	74.7	Confident	13 Å²	13	46.4 Å²	46.4	7%	0.068	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	13.5	173	-60.6	176.2	0	0	0	113.5	L146 L150 L163 L349 L350 K351 H355 V639	L146-L353 HydrophobicContact CB-CD2 4.27Å; L150-L353 HydrophobicContact CD1-CD2 3.61Å; L163-L353 HydrophobicContact CD2-CB 4.3Å; L163-L353 HydrophobicContact CD2-CD2 3.36Å; L163-L353 HydrophobicContact CD2-CG 4.39Å; L349-L353 HydrophobicContact CD1-CD1 3.75Å; L349-L353 HydrophobicContact CD1-CD2 4.47Å; L349-L353 HydrophobicContact CD1-CG 3.96Å; L349-L353 HydrophobicContact CG-CD1 3.97Å; L349-L353 HydrophobicContact CG-CG 4.47Å; L349-L353 VanDerWaalsContact O-CG 3.3Å; L349-L353 WeakPolarHBondContact O-CG 3.31Å; L349-L353 PolarHBondContact O-N 2.94Å; L350-L353 PolarHBondContact O-N 3.23Å; K351-L353 VanDerWaalsContact C-N 3.25Å; K351-L353 PolarHBondContact O-N 3.16Å; L353-H355 VanDerWaalsContact C-N 3.32Å; L353-H355 PolarHBondContact O-N 2.74Å; L353-V639 HydrophobicContact CD2-CG2 3.97Å; L353-V639 HydrophobicContact CG-CG2 4.09Å
354	S	80.2	Confident	74.5	Confident	30 Å²	30	47.4 Å²	47.4	21%	0.21	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	35.6	179.7	-54.4	0	0	0	0	114.6	L350 K351 G352 E356 G357	L350-S354 PolarHBondContact O-N 3.32Å; K351-S354 WeakPolarHBondContact O-CA 3.42Å; K351-S354 PolarHBondContact O-N 3.37Å; G352-S354 PolarHBondContact O-N 2.88Å; S354-E356 PolarHBondContact O-N 3.15Å; S354-E356 VanDerWaalsContact O-N 3.15Å; S354-G357 WeakPolarHBondContact CB-O 3.35Å; S354-G357 PolarHBondContact O-N 2.9Å
355	H	70.3	Confident	74.8	Confident	4 Å²	4	45 Å²	45	2%	0.019	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-6.3	171.6	-81.6	-123.4	0	0	0	113.6	G85 Y88 S89 Q93 R137 S143 L350 L353	G85-H355 PolarHBondContact O-ND1 3.37Å; Y88-H355 HydrophobicContact CD1-CB 3.96Å; Y88-H355 HydrophobicContact CE1-CB 4.35Å; S89-H355 PolarHBondContact OG-O 3.23Å; Q93-H355 VanDerWaalsContact NE2-C 3.34Å; Q93-H355 PolarHBondContact NE2-O 2.87Å; R137-H355 WeakPolarHBondContact CB-CE1 3.45Å; S143-H355 PolarHBondContact OG-NE2 3.15Å; L350-H355 HydrophobicContact CB-CB 4.09Å; L350-H355 VanDerWaalsContact O-CB 3.26Å; L350-H355 WeakPolarHBondContact O-CB 3.24Å; L350-H355 PolarHBondContact O-CD2 2.91Å; L350-H355 PolarHBondContact O-N 2.95Å; L353-H355 VanDerWaalsContact C-N 3.32Å; L353-H355 PolarHBondContact O-N 2.74Å
356	E	67.8	Low	75.3	Confident	82 Å²	82	43.8 Å²	43.8	38%	0.383	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.9	170.4	-57.9	-167.5	162.4	0	0	112.8	Y88 K92 K351 S354	Y88-E356 HydrophobicContact CE1-CG 3.68Å; Y88-E356 VanDerWaalsContact CZ-OE1 3.3Å; Y88-E356 PolarHBondContact OH-OE1 2.57Å; K92-E356 HydrophobicContact CB-CG 4.12Å; K92-E356 WeakPolarHBondContact CD-OE1 3.43Å; K92-E356 HydrophobicContact CG-CG 4.38Å; K92-E356 WeakPolarHBondContact CG-OE1 3.29Å; K351-E356 HydrophobicContact CG-CG 4.44Å; S354-E356 PolarHBondContact O-N 3.15Å; S354-E356 VanDerWaalsContact O-N 3.15Å
357	G	62.2	Low	75.7	Confident	32 Å²	32	43.4 Å²	43.4	33%	0.33	25%	0.246	S	C	.	.			trans	103.4	178.3	-167.6	0	0	0	0	0	111.8	S354	S354-G357 WeakPolarHBondContact CB-O 3.35Å; S354-G357 PolarHBondContact O-N 2.9Å
358	S	57.1	Low	76.2	Confident	120 Å²	120	43 Å²	43	84%	0.839	24%	0.243	S	C	*	.			trans	-80.9	121.2	170.7	175.3	0	0	0	0	109
359	S	52.5	Low	76.9	Confident	50 Å²	50	42.9 Å²	42.9	35%	0.35	24%	0.242	S	C	.	.			trans	-112.1	151.3	175.9	-178.9	0	0	0	0	110.6	Q361 D362	S359-Q361 PolarHBondContact O-N 2.98Å; S359-Q361 VanDerWaalsContact O-N 3.16Å; S359-Q361 WeakPolarHBondContact OG-CB 3.09Å; S359-Q361 PolarHBondContact OG-N 2.85Å; S359-Q361 VanDerWaalsContact OG-N 3.13Å; S359-D362 PolarHBondContact N-OD2 2.79Å; S359-D362 VanDerWaalsContact O-CB 3.28Å; S359-D362 WeakPolarHBondContact O-CB 3.33Å; S359-D362 PolarHBondContact O-N 3.13Å
360	L	49.6	Very low	77.2	Confident	155 Å²	155	42 Å²	42	81%	0.812	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-59.2	-20.3	165.7	-77	162.9	0	0	0	112.1	D362 S363	L360-D362 PolarHBondContact O-N 3.24Å; L360-S363 PolarHBondContact O-N 2.85Å; L360-S363 PolarHBondContact O-OG 3.28Å
361	Q	53.7	Low	77.4	Confident	151 Å²	151	42 Å²	42	71%	0.706	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-65.8	-20.5	171.6	-71.5	173.2	-14.2	0	0	112.7	S359 S363	S359-Q361 PolarHBondContact O-N 2.98Å; S359-Q361 VanDerWaalsContact O-N 3.16Å; S359-Q361 WeakPolarHBondContact OG-CB 3.09Å; S359-Q361 PolarHBondContact OG-N 2.85Å; S359-Q361 VanDerWaalsContact OG-N 3.13Å; Q361-S363 PolarHBondContact O-N 2.97Å
362	D	61	Low	77.8	Confident	38 Å²	38	43.9 Å²	43.9	20%	0.203	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-75.6	-11.2	-179.6	-62.3	-37.8	0	0	0	113.1	S359 L360 R643	S359-D362 PolarHBondContact N-OD2 2.79Å; S359-D362 VanDerWaalsContact O-CB 3.28Å; S359-D362 WeakPolarHBondContact O-CB 3.33Å; S359-D362 PolarHBondContact O-N 3.13Å; L360-D362 PolarHBondContact O-N 3.24Å; D362-R643 PolarHBondContact O-NE 3.31Å; D362-R643 PolarHBondContact O-NH1 3.4Å
363	S	67.8	Low	78.4	Confident	43 Å²	43	44.5 Å²	44.5	30%	0.301	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-101	-6	177.9	63.7	0	0	0	0	114.3	L360 Q361 D388 P389	L360-S363 PolarHBondContact O-N 2.85Å; L360-S363 PolarHBondContact O-OG 3.28Å; Q361-S363 PolarHBondContact O-N 2.97Å; S363-D388 WeakPolarHBondContact O-CB 3.35Å; S363-P389 WeakPolarHBondContact O-CD 3.42Å
364	V	84.9	Confident	78.9	Confident	31 Å²	31	44.2 Å²	44.2	19%	0.188	25%	0.25	C	S	.	.			trans	-98.4	139.9	-177	-177.4	0	0	0	0	110.1	R366 P389 V391	V364-R366 HydrophobicContact CG1-CG 4.46Å; V364-P389 WeakPolarHBondContact CA-O 3.31Å; V364-P389 HydrophobicContact CB-CG 4.41Å; V364-P389 WeakPolarHBondContact CG1-O 3.48Å; V364-P389 HydrophobicContact CG2-CB 4.5Å; V364-P389 HydrophobicContact CG2-CG 3.83Å; V364-V391 HydrophobicContact CG1-CB 3.94Å; V364-V391 HydrophobicContact CG1-CG2 3.46Å; V364-V391 VanDerWaalsContact CG1-CG2 3.46Å
365	V	90.9	Very high	79.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.8	166.4	177.3	0	0	0	0	108.9	P389 L390 V391 F647	V365-P389 PolarHBondContact N-O 2.74Å; V365-L390 HydrophobicContact CB-CD1 4.45Å; V365-L390 HydrophobicContact CG1-CD1 4.34Å; V365-L390 WeakPolarHBondContact O-CA 3.37Å; V365-L390 WeakPolarHBondContact O-CD1 3.43Å; V365-V391 PolarHBondContact O-N 2.74Å; V365-F647 HydrophobicContact CB-CD1 4.29Å; V365-F647 HydrophobicContact CB-CD2 4.19Å; V365-F647 HydrophobicContact CB-CE1 4.37Å; V365-F647 HydrophobicContact CB-CE2 4.23Å; V365-F647 HydrophobicContact CB-CG 4.21Å; V365-F647 HydrophobicContact CB-CZ 4.37Å; V365-F647 HydrophobicContact CG1-CD1 4Å; V365-F647 HydrophobicContact CG1-CE1 4.03Å; V365-F647 HydrophobicContact CG1-CG 4.4Å; V365-F647 HydrophobicContact CG1-CZ 4.43Å; V365-F647 HydrophobicContact CG2-CB 3.92Å; V365-F647 HydrophobicContact CG2-CD1 4.15Å; V365-F647 HydrophobicContact CG2-CD2 3.85Å; V365-F647 HydrophobicContact CG2-CE2 4.4Å; V365-F647 HydrophobicContact CG2-CG 3.71Å
366	R	94.8	Very high	80.9	Confident	62 Å²	62	50.2 Å²	50.2	23%	0.234	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.1	174.1	-61	169.2	-66.8	171.4	-5.3	110.1	V364 V391 V393 D408 E409 V410 D411 A412	V364-R366 HydrophobicContact CG1-CG 4.46Å; R366-V391 CarbonylContact C-O 3.53Å; R366-V391 VanDerWaalsContact CA-O 3.26Å; R366-V391 WeakPolarHBondContact CA-O 3.44Å; R366-V391 HydrophobicContact CG-CB 4.33Å; R366-V393 HydrophobicContact CB-CG2 4.1Å; R366-D408 PolarHBondContact NH1-O 3.06Å; R366-D408 PolarHBondContact NH2-O 3.29Å; R366-D408 IonicContact NH2-OD1 3.3Å; R366-D408 PolarHBondContact NH2-OD1 2.67Å; R366-E409 PolarHBondContact NH1-O 2.8Å; R366-V410 WeakPolarHBondContact O-CG1 3.25Å; R366-D411 HydrophobicContact CB-CB 4.34Å; R366-D411 VanDerWaalsContact CB-OD2 3.28Å; R366-D411 WeakPolarHBondContact CB-OD2 3.39Å; R366-D411 WeakPolarHBondContact CG-OD2 3.38Å; R366-D411 IonicContact CZ-OD1 3.08Å; R366-D411 IonicContact CZ-OD2 3.36Å; R366-D411 PolarHBondContact N-OD2 2.91Å; R366-D411 IonicContact NE-OD1 2.6Å; R366-D411 PolarHBondContact NE-OD1 3.43Å; R366-D411 IonicContact NE-OD2 2.82Å; R366-D411 PolarHBondContact NE-OD2 2.87Å; R366-D411 IonicContact NH2-OD1 3.66Å; R366-D411 PolarHBondContact NH2-OD1 2.9Å; R366-D411 IonicContact NH2-OD2 3.37Å; R366-D411 WeakPolarHBondContact O-CA 3.44Å; R366-D411 WeakPolarHBondContact O-CB 3.37Å; R366-D411 PolarHBondContact O-N 3.49Å; R366-A412 PolarHBondContact O-N 3.01Å; R366-A412 VanDerWaalsContact O-N 3.17Å
367	W	97.8	Very high	82.2	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.7	-178.5	-163.6	-90.2	0	0	0	111.9	W381 L390 V391 V393 A412 I634 L648 F678	W367-W381 AromaticContact CD2-CH2 3.97Å; W367-W381 HydrophobicContact CD2-CH2 3.97Å; W367-W381 AromaticContact CD2-CZ3 3.61Å; W367-W381 HydrophobicContact CD2-CZ3 3.61Å; W367-W381 AromaticContact CE2-CZ3 3.77Å; W367-W381 AromaticContact CE3-CH2 3.81Å; W367-W381 HydrophobicContact CE3-CH2 3.81Å; W367-W381 AromaticContact CE3-CZ3 3.95Å; W367-W381 HydrophobicContact CE3-CZ3 3.95Å; W367-W381 AromaticContact CG-CZ3 3.91Å; W367-W381 HydrophobicContact CG-CZ3 3.91Å; W367-W381 HydrophobicContact CH2-CH2 4.18Å; W367-W381 HydrophobicContact CZ2-CH2 4.33Å; W367-W381 HydrophobicContact CZ2-CZ3 4.25Å; W367-W381 AromaticContact CZ3-CH2 3.92Å; W367-W381 HydrophobicContact CZ3-CH2 3.92Å; W367-W381 HydrophobicContact CZ3-CZ3 4.4Å; W367-L390 HydrophobicContact CB-CD1 3.59Å; W367-L390 HydrophobicContact CG-CD1 4.49Å; W367-V391 PolarHBondContact N-O 3.34Å; W367-V393 PolarHBondContact O-N 3.1Å; W367-A412 HydrophobicContact CE3-CB 3.84Å; W367-A412 HydrophobicContact CZ3-CB 3.71Å; W367-I634 HydrophobicContact CH2-CG1 4.03Å; W367-I634 HydrophobicContact CH2-CG2 3.8Å; W367-I634 HydrophobicContact CZ3-CG2 4.19Å; W367-L648 HydrophobicContact CH2-CD2 3.94Å; W367-L648 HydrophobicContact CZ3-CD2 3.83Å; W367-F678 AromaticContact CH2-CE1 3.82Å; W367-F678 HydrophobicContact CH2-CE1 3.82Å; W367-F678 AromaticContact CH2-CZ 3.67Å; W367-F678 HydrophobicContact CH2-CZ 3.67Å; W367-F678 AromaticContact CZ2-CE1 3.56Å; W367-F678 HydrophobicContact CZ2-CE1 3.56Å; W367-F678 HydrophobicContact CZ2-CE2 4.38Å; W367-F678 AromaticContact CZ2-CZ 3.36Å; W367-F678 HydrophobicContact CZ2-CZ 3.36Å
368	C	98.4	Very high	83.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	133.3	177.2	-148.4	0	0	0	0	112.1	V393 A395 C401 V410 A412 V413	C368-V393 WeakPolarHBondContact CA-O 3.28Å; C368-A395 WeakPolarHBondContact SG-CB 3.26Å; C368-C401 HydrophobicContact CB-CB 3.73Å; C368-C401 WeakPolarHBondContact CB-SG 3.26Å; C368-C401 WeakPolarHBondContact SG-CA 3.41Å; C368-C401 WeakPolarHBondContact SG-CB 3.25Å; C368-C401 CovalentContact SG-SG 2.02Å; C368-C401 PolarHBondContact SG-SG 3.07Å; C368-V410 HydrophobicContact CB-CG1 3.67Å; C368-A412 PolarHBondContact N-O 3.04Å; C368-V413 HydrophobicContact CB-CB 3.7Å; C368-V413 HydrophobicContact CB-CG2 3.68Å
369	C	97.6	Very high	85.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.9	172	-56.5	0	0	0	0	109.2	E374 Q375 C378 V393 R394 A395	C369-E374 WeakPolarHBondContact CA-OE2 3.43Å; C369-E374 HydrophobicContact CB-CB 3.94Å; C369-Q375 HydrophobicContact CB-CB 4.19Å; C369-C378 WeakPolarHBondContact SG-CB 3.03Å; C369-C378 VanDerWaalsContact SG-SG 3.68Å; C369-V393 PolarHBondContact N-O 2.8Å; C369-R394 CarbonylContact O-C 3.59Å; C369-R394 VanDerWaalsContact O-CA 3.27Å; C369-R394 WeakPolarHBondContact O-CA 3.46Å; C369-A395 PolarHBondContact O-N 3.2Å
370	I	95.7	Very high	87.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.			trans	-92.2	-8.4	-176.9	62	161.9	0	0	0	113.7	E374 A395 S397 M398 N550 Y556	I370-E374 VanDerWaalsContact CG1-OE2 3.25Å; I370-E374 WeakPolarHBondContact CG1-OE2 3.18Å; I370-E374 PolarHBondContact N-OE2 2.86Å; I370-A395 CarbonylContact C-O 2.98Å; I370-S397 VanDerWaalsContact CG2-C 3.48Å; I370-M398 HydrophobicContact CD1-CE 3.76Å; I370-M398 HydrophobicContact CD1-CG 4.36Å; I370-M398 HydrophobicContact CD1-SD 4.27Å; I370-M398 HydrophobicContact CG1-CE 4.23Å; I370-M398 HydrophobicContact CG2-CE 4.35Å; I370-M398 HydrophobicContact CG2-CG 4.43Å; I370-M398 HydrophobicContact CG2-SD 3.72Å; I370-N550 HydrophobicContact CB-CB 4.1Å; I370-N550 HydrophobicContact CD1-CB 4.01Å; I370-N550 HydrophobicContact CG1-CB 4.13Å; I370-N550 WeakPolarHBondContact O-CB 3.39Å; I370-N550 VanDerWaalsContact O-CG 3.23Å; I370-N550 PolarHBondContact O-ND2 3Å; I370-Y556 HydrophobicContact CD1-CE1 4.07Å; I370-Y556 WeakPolarHBondContact CD1-OH 3.33Å
371	S	94	Very high	89.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-143.6	169.3	-175.9	75	0	0	0	0	113.6	A373 E374 Q375	S371-A373 VanDerWaalsContact C-N 3.32Å; S371-A373 PolarHBondContact OG-N 3.05Å; S371-E374 WeakPolarHBondContact OG-CG 3.28Å; S371-E374 PolarHBondContact OG-N 3.29Å; S371-Q375 WeakPolarHBondContact O-CB 3.34Å; S371-Q375 PolarHBondContact O-N 2.79Å
372	H	92.6	Very high	91.4	Very high	101 Å²	101	31.4 Å²	31.4	47%	0.468	16%	0.159	S	C	.	.	H	α-helix	trans	-64.3	-37.1	172.3	-74.4	-67.9	0	0	0	112.6	Q375 K376 R394 N552	H372-Q375 PolarHBondContact O-N 2.86Å; H372-K376 PolarHBondContact O-N 3.33Å; H372-R394 PolarHBondContact CE1-NH1 2.03Å; H372-R394 PolarHBondContact NE2-NH1 2.91Å; H372-R394 VanDerWaalsContact NE2-NH1 3.16Å; H372-N552 PolarHBondContact CD2-OD1 3.09Å; H372-N552 PolarHBondContact N-OD1 2.91Å; H372-N552 VanDerWaalsContact N-OD1 3.14Å
373	A	93.3	Very high	92.8	Very high	20 Å²	20	36.9 Å²	36.9	17%	0.165	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-44.7	178.8	0	0	0	0	0	111.4	S371 K376 K377 L676	S371-A373 VanDerWaalsContact C-N 3.32Å; S371-A373 PolarHBondContact OG-N 3.05Å; A373-K376 PolarHBondContact O-N 3.38Å; A373-K377 PolarHBondContact O-N 2.97Å; A373-L676 HydrophobicContact CB-CD1 3.83Å; A373-L676 HydrophobicContact CB-CD2 3.92Å
374	E	95.9	Very high	93.7	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-42.8	174.4	-75.5	-165.6	170	0	0	112.4	C369 I370 S371 K376 K377 C378 L676 L677	C369-E374 WeakPolarHBondContact CA-OE2 3.43Å; C369-E374 HydrophobicContact CB-CB 3.94Å; I370-E374 VanDerWaalsContact CG1-OE2 3.25Å; I370-E374 WeakPolarHBondContact CG1-OE2 3.18Å; I370-E374 PolarHBondContact N-OE2 2.86Å; S371-E374 WeakPolarHBondContact OG-CG 3.28Å; S371-E374 PolarHBondContact OG-N 3.29Å; E374-K376 VanDerWaalsContact C-N 3.3Å; E374-K376 PolarHBondContact O-N 3.41Å; E374-K377 PolarHBondContact O-N 3.49Å; E374-C378 WeakPolarHBondContact O-CB 3.48Å; E374-C378 PolarHBondContact O-N 2.9Å; E374-L676 HydrophobicContact CG-CB 4.11Å; E374-L676 HydrophobicContact CG-CD2 3.68Å; E374-L676 HydrophobicContact CG-CG 4.49Å; E374-L677 HydrophobicContact CB-CD2 3.83Å; E374-L677 HydrophobicContact CG-CD2 4.14Å; E374-L677 PolarHBondContact OE1-N 2.85Å
375	Q	95.4	Very high	93.5	Very high	44 Å²	44	36.3 Å²	36.3	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-43.8	177.8	-178	173.9	-3.4	0	0	111	C369 S371 H372 K377 C378 E379	C369-Q375 HydrophobicContact CB-CB 4.19Å; S371-Q375 WeakPolarHBondContact O-CB 3.34Å; S371-Q375 PolarHBondContact O-N 2.79Å; H372-Q375 PolarHBondContact O-N 2.86Å; Q375-K377 PolarHBondContact O-N 3.46Å; Q375-C378 PolarHBondContact O-N 2.88Å; Q375-E379 HydrophobicContact CG-CG 4.41Å; Q375-E379 WeakPolarHBondContact CG-OE1 3.36Å; Q375-E379 PolarHBondContact NE2-OE1 2.98Å; Q375-E379 WeakPolarHBondContact O-CB 3.01Å; Q375-E379 VanDerWaalsContact O-CG 3.31Å; Q375-E379 WeakPolarHBondContact O-CG 3.46Å; Q375-E379 PolarHBondContact O-N 2.78Å
376	K	95.1	Very high	92.9	Very high	117 Å²	117	45.3 Å²	45.3	51%	0.509	22%	0.222	S	C	.	.	H	α-helix	trans	-61.7	-43.4	176.2	-174.3	-179.3	176.9	-170.9	0	112.1	H372 A373 E374 E379 Q380 Y671	H372-K376 PolarHBondContact O-N 3.33Å; A373-K376 PolarHBondContact O-N 3.38Å; E374-K376 VanDerWaalsContact C-N 3.3Å; E374-K376 PolarHBondContact O-N 3.41Å; K376-E379 PolarHBondContact O-N 3.12Å; K376-Q380 PolarHBondContact O-N 3.22Å; K376-Q380 VanDerWaalsContact O-N 3.16Å; K376-Y671 HydrophobicContact CD-CD1 4.28Å; K376-Y671 HydrophobicContact CG-CD1 4.32Å; K376-Y671 HydrophobicContact CG-CE1 4.41Å
377	K	95.7	Very high	91.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-43.2	175.6	-176.3	175.5	178.6	-178.4	0	111.3	A373 E374 Q375 Q380 W381 F663 L665 E667 S668 Y671 L676 L677	A373-K377 PolarHBondContact O-N 2.97Å; E374-K377 PolarHBondContact O-N 3.49Å; Q375-K377 PolarHBondContact O-N 3.46Å; K377-Q380 PolarHBondContact O-N 2.61Å; K377-W381 PolarHBondContact O-N 3.44Å; K377-F663 HydrophobicContact CG-CE2 3.99Å; K377-F663 HydrophobicContact CG-CZ 4.32Å; K377-F663 WeakPolarHBondContact O-CE2 3.27Å; K377-L665 WeakPolarHBondContact CE-O 3.07Å; K377-L665 PolarHBondContact NZ-O 3.23Å; K377-E667 VanDerWaalsContact CE-O 3.22Å; K377-E667 WeakPolarHBondContact CE-O 3.29Å; K377-E667 PolarHBondContact NZ-O 3.17Å; K377-S668 PolarHBondContact NZ-OG 2.06Å; K377-Y671 HydrophobicContact CB-CD1 4.2Å; K377-Y671 HydrophobicContact CB-CD2 4.1Å; K377-Y671 HydrophobicContact CB-CE1 3.9Å; K377-Y671 HydrophobicContact CB-CE2 3.8Å; K377-Y671 HydrophobicContact CB-CG 4.3Å; K377-Y671 HydrophobicContact CD-CD2 4.01Å; K377-Y671 HydrophobicContact CD-CE2 3.67Å; K377-Y671 HydrophobicContact CG-CD2 4.13Å; K377-Y671 HydrophobicContact CG-CE1 4.37Å; K377-Y671 HydrophobicContact CG-CE2 3.5Å; K377-Y671 VanDerWaalsContact CG-CE2 3.5Å; K377-L676 HydrophobicContact CD-CB 3.76Å; K377-L676 WeakPolarHBondContact CD-O 3.26Å; K377-L676 WeakPolarHBondContact CE-O 3.21Å; K377-L676 PolarHBondContact NZ-O 3.27Å; K377-L677 HydrophobicContact CB-CD1 4.12Å; K377-L677 HydrophobicContact CD-CD1 3.99Å; K377-L677 HydrophobicContact CD-CG 4.17Å; K377-L677 HydrophobicContact CG-CD1 3.76Å; K377-L677 HydrophobicContact CG-CG 4.36Å
378	C	95.8	Very high	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-40	178.4	177.4	0	0	0	0	112.1	C369 E374 Q375 Q380 W381 A382 C392 L677	C369-C378 WeakPolarHBondContact SG-CB 3.03Å; C369-C378 VanDerWaalsContact SG-SG 3.68Å; E374-C378 WeakPolarHBondContact O-CB 3.48Å; E374-C378 PolarHBondContact O-N 2.9Å; Q375-C378 PolarHBondContact O-N 2.88Å; C378-Q380 VanDerWaalsContact C-N 3.3Å; C378-Q380 PolarHBondContact O-N 3.04Å; C378-W381 WeakPolarHBondContact O-CB 3.5Å; C378-W381 PolarHBondContact O-N 2.78Å; C378-A382 WeakPolarHBondContact O-CB 3.5Å; C378-A382 PolarHBondContact O-N 2.9Å; C378-C392 HydrophobicContact CB-CB 3.84Å; C378-C392 WeakPolarHBondContact CB-SG 3.46Å; C378-C392 PolarHBondContact O-SG 2.81Å; C378-C392 WeakPolarHBondContact SG-CB 3.47Å; C378-C392 CovalentContact SG-SG 2.03Å; C378-C392 PolarHBondContact SG-SG 3.34Å; C378-L677 HydrophobicContact CB-CD1 4.01Å; C378-L677 HydrophobicContact CB-CD2 4.19Å
379	E	94.8	Very high	90.1	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-36.7	177.1	-75.1	169	-176.8	0	0	111.3	Q375 K376 A382 L383 C392	Q375-E379 HydrophobicContact CG-CG 4.41Å; Q375-E379 WeakPolarHBondContact CG-OE1 3.36Å; Q375-E379 PolarHBondContact NE2-OE1 2.98Å; Q375-E379 WeakPolarHBondContact O-CB 3.01Å; Q375-E379 VanDerWaalsContact O-CG 3.31Å; Q375-E379 WeakPolarHBondContact O-CG 3.46Å; Q375-E379 PolarHBondContact O-N 2.78Å; K376-E379 PolarHBondContact O-N 3.12Å; E379-A382 PolarHBondContact O-N 3.22Å; E379-L383 WeakPolarHBondContact O-CG 3.28Å; E379-L383 PolarHBondContact O-N 3.41Å; E379-C392 HydrophobicContact CG-CB 4.4Å; E379-C392 PolarHBondContact N-SG 2.83Å; E379-C392 VanDerWaalsContact N-SG 3.42Å
380	Q	93.3	Very high	89.9	Confident	71 Å²	71	49 Å²	49	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-67.3	-42.5	171.2	-71.2	-175.2	-16.4	0	0	112	K376 K377 C378 A382 L383 S384 F663 Y671	K376-Q380 PolarHBondContact O-N 3.22Å; K376-Q380 VanDerWaalsContact O-N 3.16Å; K377-Q380 PolarHBondContact O-N 2.61Å; C378-Q380 VanDerWaalsContact C-N 3.3Å; C378-Q380 PolarHBondContact O-N 3.04Å; Q380-A382 VanDerWaalsContact C-N 3.27Å; Q380-A382 PolarHBondContact O-N 3.28Å; Q380-L383 PolarHBondContact O-N 3.32Å; Q380-L383 VanDerWaalsContact O-N 3.1Å; Q380-S384 PolarHBondContact O-N 2.88Å; Q380-S384 PolarHBondContact O-OG 2.73Å; Q380-S384 VanDerWaalsContact O-OG 3.09Å; Q380-F663 HydrophobicContact CB-CD2 3.86Å; Q380-F663 HydrophobicContact CB-CE2 4.11Å; Q380-Y671 PolarHBondContact OE1-OH 2.85Å
381	W	92.6	Very high	89.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-55	-44.9	172.2	-179	18.2	0	0	0	111.6	W367 K377 C378 L383 S384 I385 L390 F647 L648 F663 L665 L677 F678	W367-W381 AromaticContact CD2-CH2 3.97Å; W367-W381 HydrophobicContact CD2-CH2 3.97Å; W367-W381 AromaticContact CD2-CZ3 3.61Å; W367-W381 HydrophobicContact CD2-CZ3 3.61Å; W367-W381 AromaticContact CE2-CZ3 3.77Å; W367-W381 AromaticContact CE3-CH2 3.81Å; W367-W381 HydrophobicContact CE3-CH2 3.81Å; W367-W381 AromaticContact CE3-CZ3 3.95Å; W367-W381 HydrophobicContact CE3-CZ3 3.95Å; W367-W381 AromaticContact CG-CZ3 3.91Å; W367-W381 HydrophobicContact CG-CZ3 3.91Å; W367-W381 HydrophobicContact CH2-CH2 4.18Å; W367-W381 HydrophobicContact CZ2-CH2 4.33Å; W367-W381 HydrophobicContact CZ2-CZ3 4.25Å; W367-W381 AromaticContact CZ3-CH2 3.92Å; W367-W381 HydrophobicContact CZ3-CH2 3.92Å; W367-W381 HydrophobicContact CZ3-CZ3 4.4Å; K377-W381 PolarHBondContact O-N 3.44Å; C378-W381 WeakPolarHBondContact O-CB 3.5Å; C378-W381 PolarHBondContact O-N 2.78Å; W381-L383 VanDerWaalsContact C-N 3.26Å; W381-L383 PolarHBondContact O-N 2.94Å; W381-S384 PolarHBondContact O-N 2.89Å; W381-S384 VanDerWaalsContact O-N 3.13Å; W381-I385 PolarHBondContact O-N 2.74Å; W381-I385 VanDerWaalsContact O-N 3.08Å; W381-L390 HydrophobicContact CB-CD2 4.1Å; W381-L390 HydrophobicContact CD2-CD2 3.39Å; W381-L390 HydrophobicContact CE3-CD2 3.36Å; W381-L390 HydrophobicContact CG-CD2 3.75Å; W381-L390 HydrophobicContact CH2-CD2 4.46Å; W381-L390 HydrophobicContact CZ2-CD2 4.48Å; W381-L390 HydrophobicContact CZ3-CD2 3.93Å; W381-F647 AromaticContact CH2-CE1 3.57Å; W381-F647 HydrophobicContact CH2-CE1 3.57Å; W381-F647 HydrophobicContact CH2-CZ 4.03Å; W381-F647 HydrophobicContact CZ2-CD1 4.48Å; W381-F647 AromaticContact CZ2-CE1 3.39Å; W381-F647 HydrophobicContact CZ2-CE1 3.39Å; W381-F647 AromaticContact CZ2-CZ 3.61Å; W381-F647 HydrophobicContact CZ2-CZ 3.61Å; W381-L648 HydrophobicContact CH2-CD2 4.08Å; W381-L648 HydrophobicContact CZ2-CD2 4.24Å; W381-F663 HydrophobicContact CB-CE1 3.75Å; W381-F663 HydrophobicContact CB-CE2 4.13Å; W381-F663 HydrophobicContact CB-CZ 3.47Å; W381-F663 VanDerWaalsContact CB-CZ 3.47Å; W381-F663 AromaticContact CD1-CE1 3.9Å; W381-F663 AromaticContact CG-CE1 3.95Å; W381-F663 HydrophobicContact CG-CE1 3.95Å; W381-F663 HydrophobicContact CG-CZ 4.05Å; W381-L665 HydrophobicContact CD2-CD1 3.85Å; W381-L665 HydrophobicContact CE3-CD1 4.36Å; W381-L665 HydrophobicContact CG-CD1 4.08Å; W381-L665 HydrophobicContact CZ2-CD1 4.22Å; W381-L677 HydrophobicContact CE3-CD1 4.13Å; W381-F678 HydrophobicContact CH2-CE2 4.27Å; W381-F678 AromaticContact CH2-CZ 4Å; W381-F678 HydrophobicContact CH2-CZ 4Å; W381-F678 HydrophobicContact CZ3-CE2 4.17Å; W381-F678 HydrophobicContact CZ3-CZ 4.17Å
382	A	91.9	Very high	89.9	Confident	30 Å²	30	53.3 Å²	53.3	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-31.4	178.9	0	0	0	0	0	113.1	C378 E379 Q380 L390	C378-A382 WeakPolarHBondContact O-CB 3.5Å; C378-A382 PolarHBondContact O-N 2.9Å; E379-A382 PolarHBondContact O-N 3.22Å; Q380-A382 VanDerWaalsContact C-N 3.27Å; Q380-A382 PolarHBondContact O-N 3.28Å; A382-L390 HydrophobicContact CB-CB 3.82Å; A382-L390 HydrophobicContact CB-CD2 3.99Å; A382-L390 HydrophobicContact CB-CG 4.1Å
383	L	89.8	Confident	90.1	Very high	152 Å²	152	50.1 Å²	50.1	80%	0.796	27%	0.267	S	S	*	.	H	α-helix	trans	-80.1	-27	176.1	-67.4	171.8	0	0	0	112.9	E379 Q380 W381	E379-L383 WeakPolarHBondContact O-CG 3.28Å; E379-L383 PolarHBondContact O-N 3.41Å; Q380-L383 PolarHBondContact O-N 3.32Å; Q380-L383 VanDerWaalsContact O-N 3.1Å; W381-L383 VanDerWaalsContact C-N 3.26Å; W381-L383 PolarHBondContact O-N 2.94Å
384	S	87	Confident	90.2	Very high	41 Å²	41	55.2 Å²	55.2	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-88.6	-18.9	-177	-58.8	0	0	0	0	113.9	Q380 W381 F663	Q380-S384 PolarHBondContact O-N 2.88Å; Q380-S384 PolarHBondContact O-OG 2.73Å; Q380-S384 VanDerWaalsContact O-OG 3.09Å; W381-S384 PolarHBondContact O-N 2.89Å; W381-S384 VanDerWaalsContact O-N 3.13Å; S384-F663 VanDerWaalsContact OG-CB 3.28Å; S384-F663 WeakPolarHBondContact OG-CB 3.36Å
385	I	81.7	Confident	90.3	Very high	21 Å²	21	55.1 Å²	55.1	11%	0.108	28%	0.282	C	S	.	.			trans	-78.1	139.4	-175	-153.6	174.1	0	0	0	112.6	W381 S387 F647 S651	W381-I385 PolarHBondContact O-N 2.74Å; W381-I385 VanDerWaalsContact O-N 3.08Å; I385-S387 WeakPolarHBondContact CD1-OG 3.18Å; I385-S387 VanDerWaalsContact CG1-OG 3.25Å; I385-S387 WeakPolarHBondContact CG1-OG 3.43Å; I385-F647 HydrophobicContact CD1-CD2 3.93Å; I385-F647 HydrophobicContact CD1-CE2 3.28Å; I385-F647 HydrophobicContact CD1-CZ 3.66Å; I385-S651 WeakPolarHBondContact CD1-OG 3.44Å
386	K	76.8	Confident	90.2	Very high	191 Å²	191	57.7 Å²	57.7	83%	0.83	30%	0.301	S	S	*	.	S	Bend	trans	-102.9	9	175.2	-63.4	-178.8	-177.8	172.7	0	113.4
387	S	72.1	Confident	90.2	Very high	33 Å²	33	52.7 Å²	52.7	23%	0.231	28%	0.28	C	S	.	.	S	Bend	trans	-98.8	-151.9	179.3	72.3	0	0	0	0	111.1	I385	I385-S387 WeakPolarHBondContact CD1-OG 3.18Å; I385-S387 VanDerWaalsContact CG1-OG 3.25Å; I385-S387 WeakPolarHBondContact CG1-OG 3.43Å
388	D	76.1	Confident	90.2	Very high	24 Å²	24	53.8 Å²	53.8	13%	0.128	29%	0.286	C	S	.	.	S	Bend	trans	-55.3	146	173.4	-59.1	-69.8	0	0	0	112.9	K159 S363 L390 F647	K159-D388 IonicContact NZ-OD1 3.06Å; K159-D388 PolarHBondContact NZ-OD1 2.76Å; K159-D388 IonicContact NZ-OD2 3.72Å; K159-D388 PolarHBondContact NZ-OD2 2.67Å; S363-D388 WeakPolarHBondContact O-CB 3.35Å; D388-L390 PolarHBondContact O-N 3.14Å; D388-F647 HydrophobicContact CB-CD2 4.26Å
389	P	85.6	Confident	90.2	Very high	69 Å²	69	56 Å²	56	45%	0.448	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-59.8	131.4	178.8	23.7	-33.5	0	0	0	111.4	S363 V364 V365	S363-P389 WeakPolarHBondContact O-CD 3.42Å; V364-P389 WeakPolarHBondContact CA-O 3.31Å; V364-P389 HydrophobicContact CB-CG 4.41Å; V364-P389 WeakPolarHBondContact CG1-O 3.48Å; V364-P389 HydrophobicContact CG2-CB 4.5Å; V364-P389 HydrophobicContact CG2-CG 3.83Å; V365-P389 PolarHBondContact N-O 2.74Å
390	L	91.9	Very high	90.2	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.4	173.7	179.4	63.1	0	0	0	109.8	V365 W367 W381 A382 D388 F647	V365-L390 HydrophobicContact CB-CD1 4.45Å; V365-L390 HydrophobicContact CG1-CD1 4.34Å; V365-L390 WeakPolarHBondContact O-CA 3.37Å; V365-L390 WeakPolarHBondContact O-CD1 3.43Å; W367-L390 HydrophobicContact CB-CD1 3.59Å; W367-L390 HydrophobicContact CG-CD1 4.49Å; W381-L390 HydrophobicContact CB-CD2 4.1Å; W381-L390 HydrophobicContact CD2-CD2 3.39Å; W381-L390 HydrophobicContact CE3-CD2 3.36Å; W381-L390 HydrophobicContact CG-CD2 3.75Å; W381-L390 HydrophobicContact CH2-CD2 4.46Å; W381-L390 HydrophobicContact CZ2-CD2 4.48Å; W381-L390 HydrophobicContact CZ3-CD2 3.93Å; A382-L390 HydrophobicContact CB-CB 3.82Å; A382-L390 HydrophobicContact CB-CD2 3.99Å; A382-L390 HydrophobicContact CB-CG 4.1Å; D388-L390 PolarHBondContact O-N 3.14Å; L390-F647 HydrophobicContact CB-CE2 4.15Å; L390-F647 HydrophobicContact CB-CZ 4.02Å; L390-F647 HydrophobicContact CD1-CE1 4.18Å; L390-F647 HydrophobicContact CD1-CE2 4.33Å; L390-F647 HydrophobicContact CD1-CZ 3.57Å; L390-F647 HydrophobicContact CD2-CZ 4.18Å; L390-F647 HydrophobicContact CG-CZ 4.13Å
391	V	94.5	Very high	90.4	Very high	68 Å²	68	49.8 Å²	49.8	41%	0.412	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.1	171.3	170.9	0	0	0	0	109.4	V364 V365 R366 W367 V393	V364-V391 HydrophobicContact CG1-CB 3.94Å; V364-V391 HydrophobicContact CG1-CG2 3.46Å; V364-V391 VanDerWaalsContact CG1-CG2 3.46Å; V365-V391 PolarHBondContact O-N 2.74Å; R366-V391 CarbonylContact C-O 3.53Å; R366-V391 VanDerWaalsContact CA-O 3.26Å; R366-V391 WeakPolarHBondContact CA-O 3.44Å; R366-V391 HydrophobicContact CG-CB 4.33Å; W367-V391 PolarHBondContact N-O 3.34Å; V391-V393 HydrophobicContact CG1-CG2 4.27Å
392	C	96.4	Very high	90.6	Very high	24 Å²	24	49.8 Å²	49.8	16%	0.162	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124	179.4	-52.6	0	0	0	0	110.2	C378 E379	C378-C392 HydrophobicContact CB-CB 3.84Å; C378-C392 WeakPolarHBondContact CB-SG 3.46Å; C378-C392 PolarHBondContact O-SG 2.81Å; C378-C392 WeakPolarHBondContact SG-CB 3.47Å; C378-C392 CovalentContact SG-SG 2.03Å; C378-C392 PolarHBondContact SG-SG 3.34Å; E379-C392 HydrophobicContact CG-CB 4.4Å; E379-C392 PolarHBondContact N-SG 2.83Å; E379-C392 VanDerWaalsContact N-SG 3.42Å
393	V	97.3	Very high	90.7	Very high	33 Å²	33	50.5 Å²	50.5	20%	0.2	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	-179.8	-177.3	0	0	0	0	109.1	R366 W367 C368 C369 V391 V410	R366-V393 HydrophobicContact CB-CG2 4.1Å; W367-V393 PolarHBondContact O-N 3.1Å; C368-V393 WeakPolarHBondContact CA-O 3.28Å; C369-V393 PolarHBondContact N-O 2.8Å; V391-V393 HydrophobicContact CG1-CG2 4.27Å; V393-V410 HydrophobicContact CB-CG2 3.67Å; V393-V410 HydrophobicContact CG1-CG2 3.52Å; V393-V410 HydrophobicContact CG2-CG2 4.17Å
394	R	95.3	Very high	90.9	Very high	127 Å²	127	45 Å²	45	48%	0.479	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.3	-179.4	-170.4	168.6	55.6	136.5	1.7	111.9	C369 H372	C369-R394 CarbonylContact O-C 3.59Å; C369-R394 VanDerWaalsContact O-CA 3.27Å; C369-R394 WeakPolarHBondContact O-CA 3.46Å; H372-R394 PolarHBondContact CE1-NH1 2.03Å; H372-R394 PolarHBondContact NE2-NH1 2.91Å; H372-R394 VanDerWaalsContact NE2-NH1 3.16Å
395	A	96.4	Very high	91.3	Very high	5 Å²	5	43 Å²	43	4%	0.041	22%	0.22	C	C	.	.			trans	-118.5	168.9	172.2	0	0	0	0	0	110.4	C368 C369 I370 D400 C401 K404	C368-A395 WeakPolarHBondContact SG-CB 3.26Å; C369-A395 PolarHBondContact O-N 3.2Å; I370-A395 CarbonylContact C-O 2.98Å; A395-D400 VanDerWaalsContact CA-OD2 3.23Å; A395-D400 WeakPolarHBondContact CA-OD2 3.49Å; A395-D400 HydrophobicContact CB-CB 4.18Å; A395-D400 VanDerWaalsContact CB-OD2 3.27Å; A395-D400 WeakPolarHBondContact CB-OD2 3.3Å; A395-C401 WeakPolarHBondContact CB-SG 3.38Å; A395-K404 HydrophobicContact CB-CD 4.09Å
396	V	93.2	Very high	91.6	Very high	98 Å²	98	42.5 Å²	42.5	59%	0.594	22%	0.217	S	C	*	.	S	Bend	trans	-94.7	-16.1	179.5	-59.7	0	0	0	0	114.1	D400 N550	V396-D400 HydrophobicContact CG2-CB 3.76Å; V396-D400 PolarHBondContact N-OD2 3.01Å; V396-N550 PolarHBondContact O-ND2 3.11Å
397	S	95.3	Very high	92.1	Very high	11 Å²	11	39.1 Å²	39.1	8%	0.077	20%	0.199	C	C	.	.	S	Bend	trans	-165.1	170.6	177.9	67.3	0	0	0	0	110.9	I370 R399 D400 C401	I370-S397 VanDerWaalsContact CG2-C 3.48Å; S397-R399 PolarHBondContact O-N 3.33Å; S397-R399 PolarHBondContact OG-N 2.69Å; S397-D400 PolarHBondContact O-N 3.01Å; S397-D400 PolarHBondContact OG-N 2.98Å; S397-C401 PolarHBondContact O-N 2.88Å
398	M	96.1	Very high	92.8	Very high	24 Å²	24	39 Å²	39	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-31.4	173.7	-69	-55	-173.7	0	0	112.5	I370 C401 I402 V413 L415	I370-M398 HydrophobicContact CD1-CE 3.76Å; I370-M398 HydrophobicContact CD1-CG 4.36Å; I370-M398 HydrophobicContact CD1-SD 4.27Å; I370-M398 HydrophobicContact CG1-CE 4.23Å; I370-M398 HydrophobicContact CG2-CE 4.35Å; I370-M398 HydrophobicContact CG2-CG 4.43Å; I370-M398 HydrophobicContact CG2-SD 3.72Å; M398-C401 WeakPolarHBondContact O-CB 3.19Å; M398-C401 PolarHBondContact O-N 3.33Å; M398-I402 WeakPolarHBondContact O-CG1 3.33Å; M398-I402 PolarHBondContact O-N 3.19Å; M398-I402 VanDerWaalsContact O-N 3.11Å; M398-V413 HydrophobicContact SD-CG2 4.14Å; M398-L415 HydrophobicContact CB-CD2 4.17Å; M398-L415 HydrophobicContact CG-CD2 4.39Å; M398-L415 HydrophobicContact SD-CD2 3.94Å
399	R	95.3	Very high	93.5	Very high	46 Å²	46	41.7 Å²	41.7	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-44	173.9	-67.6	177.9	-78.8	162.4	-3.1	112.2	S397 C401 I402 E403 D549 I716	S397-R399 PolarHBondContact O-N 3.33Å; S397-R399 PolarHBondContact OG-N 2.69Å; R399-C401 PolarHBondContact O-N 2.97Å; R399-I402 WeakPolarHBondContact O-CB 3.41Å; R399-I402 PolarHBondContact O-N 2.53Å; R399-I402 VanDerWaalsContact O-N 3.09Å; R399-E403 PolarHBondContact O-N 2.8Å; R399-D549 IonicContact CZ-OD2 2.95Å; R399-D549 IonicContact NE-OD2 2.74Å; R399-D549 IonicContact NH2-OD2 3.62Å; R399-D549 PolarHBondContact NH2-OD2 3.16Å; R399-I716 HydrophobicContact CG-CB 4.43Å; R399-I716 HydrophobicContact CG-CG2 4.2Å
400	D	96.2	Very high	93.9	Very high	34 Å²	34	38.4 Å²	38.4	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-35.4	174.8	-176.8	42.5	0	0	0	110.8	A395 V396 S397 E403 K404	A395-D400 VanDerWaalsContact CA-OD2 3.23Å; A395-D400 WeakPolarHBondContact CA-OD2 3.49Å; A395-D400 HydrophobicContact CB-CB 4.18Å; A395-D400 VanDerWaalsContact CB-OD2 3.27Å; A395-D400 WeakPolarHBondContact CB-OD2 3.3Å; V396-D400 HydrophobicContact CG2-CB 3.76Å; V396-D400 PolarHBondContact N-OD2 3.01Å; S397-D400 PolarHBondContact O-N 3.01Å; S397-D400 PolarHBondContact OG-N 2.98Å; D400-E403 PolarHBondContact O-N 3.37Å; D400-K404 VanDerWaalsContact O-CB 3.28Å; D400-K404 WeakPolarHBondContact O-CB 3.3Å; D400-K404 WeakPolarHBondContact O-CG 3.43Å; D400-K404 PolarHBondContact O-N 3.1Å; D400-K404 WeakPolarHBondContact OD1-CE 3.32Å; D400-K404 VanDerWaalsContact OD2-CE 3.25Å; D400-K404 WeakPolarHBondContact OD2-CE 3.38Å
401	C	97.6	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-46.1	170.1	-70.6	0	0	0	0	112.8	C368 A395 S397 M398 R399 E403 K404 I405 V413	C368-C401 HydrophobicContact CB-CB 3.73Å; C368-C401 WeakPolarHBondContact CB-SG 3.26Å; C368-C401 WeakPolarHBondContact SG-CA 3.41Å; C368-C401 WeakPolarHBondContact SG-CB 3.25Å; C368-C401 CovalentContact SG-SG 2.02Å; C368-C401 PolarHBondContact SG-SG 3.07Å; A395-C401 WeakPolarHBondContact CB-SG 3.38Å; S397-C401 PolarHBondContact O-N 2.88Å; M398-C401 WeakPolarHBondContact O-CB 3.19Å; M398-C401 PolarHBondContact O-N 3.33Å; R399-C401 PolarHBondContact O-N 2.97Å; C401-E403 VanDerWaalsContact C-N 3.35Å; C401-E403 PolarHBondContact O-N 2.72Å; C401-K404 PolarHBondContact O-N 2.99Å; C401-I405 VanDerWaalsContact O-CG1 3.26Å; C401-I405 WeakPolarHBondContact O-CG1 3.36Å; C401-I405 PolarHBondContact O-N 3.47Å; C401-V413 HydrophobicContact CB-CB 4.3Å; C401-V413 HydrophobicContact CB-CG1 4.18Å; C401-V413 HydrophobicContact CB-CG2 4.04Å
402	I	96.6	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-44.7	177.3	-62.7	166.4	0	0	0	110.5	M398 R399 K404 I405 K406 L415 L422 A423 C426 L428 I716	M398-I402 WeakPolarHBondContact O-CG1 3.33Å; M398-I402 PolarHBondContact O-N 3.19Å; M398-I402 VanDerWaalsContact O-N 3.11Å; R399-I402 WeakPolarHBondContact O-CB 3.41Å; R399-I402 PolarHBondContact O-N 2.53Å; R399-I402 VanDerWaalsContact O-N 3.09Å; I402-K404 PolarHBondContact O-N 3.42Å; I402-I405 PolarHBondContact O-N 2.84Å; I402-K406 PolarHBondContact O-N 2.96Å; I402-L415 HydrophobicContact CD1-CD1 4.02Å; I402-L415 HydrophobicContact CG1-CD1 3.89Å; I402-L422 HydrophobicContact CD1-CB 4.22Å; I402-A423 HydrophobicContact CD1-CB 4.09Å; I402-A423 HydrophobicContact CG1-CB 4.21Å; I402-C426 HydrophobicContact CG2-CB 4.03Å; I402-L428 HydrophobicContact CG2-CD1 4.03Å; I402-I716 HydrophobicContact CB-CD1 4.19Å; I402-I716 HydrophobicContact CG2-CD1 3.99Å; I402-I716 HydrophobicContact CG2-CG1 4.39Å
403	E	94	Very high	94.2	Very high	45 Å²	45	33.9 Å²	33.9	21%	0.21	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-42.7	175.9	-67.1	-168.8	-156.6	0	0	112.4	R399 D400 C401 I405 K406 R407 I716 F719	R399-E403 PolarHBondContact O-N 2.8Å; D400-E403 PolarHBondContact O-N 3.37Å; C401-E403 VanDerWaalsContact C-N 3.35Å; C401-E403 PolarHBondContact O-N 2.72Å; E403-I405 VanDerWaalsContact C-N 3.34Å; E403-K406 VanDerWaalsContact O-CB 3.29Å; E403-K406 WeakPolarHBondContact O-CB 3.38Å; E403-K406 PolarHBondContact O-N 2.8Å; E403-R407 WeakPolarHBondContact O-CB 3.38Å; E403-R407 VanDerWaalsContact O-CG 3.25Å; E403-R407 WeakPolarHBondContact O-CG 3.49Å; E403-R407 PolarHBondContact O-N 2.78Å; E403-R407 IonicContact OE2-NH2 3.63Å; E403-I716 HydrophobicContact CG-CD1 3.44Å; E403-I716 VanDerWaalsContact CG-CD1 3.44Å; E403-F719 HydrophobicContact CB-CE1 4.22Å; E403-F719 HydrophobicContact CG-CD1 3.91Å; E403-F719 HydrophobicContact CG-CE1 3.96Å; E403-F719 HydrophobicContact CG-CG 4.45Å
404	K	94.8	Very high	94.2	Very high	37 Å²	37	32.6 Å²	32.6	16%	0.161	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-35.8	178.1	-76.1	177.1	172.6	-67.7	0	112.3	A395 D400 C401 I402 R407 D408 E409 V410	A395-K404 HydrophobicContact CB-CD 4.09Å; D400-K404 VanDerWaalsContact O-CB 3.28Å; D400-K404 WeakPolarHBondContact O-CB 3.3Å; D400-K404 WeakPolarHBondContact O-CG 3.43Å; D400-K404 PolarHBondContact O-N 3.1Å; D400-K404 WeakPolarHBondContact OD1-CE 3.32Å; D400-K404 VanDerWaalsContact OD2-CE 3.25Å; D400-K404 WeakPolarHBondContact OD2-CE 3.38Å; C401-K404 PolarHBondContact O-N 2.99Å; I402-K404 PolarHBondContact O-N 3.42Å; K404-R407 PolarHBondContact O-N 3.25Å; K404-D408 PolarHBondContact O-N 3.3Å; K404-E409 HydrophobicContact CB-CB 4.11Å; K404-E409 HydrophobicContact CG-CB 4.35Å; K404-E409 IonicContact NZ-OE2 2.89Å; K404-E409 PolarHBondContact NZ-OE2 2.99Å; K404-E409 PolarHBondContact O-N 3.44Å; K404-V410 HydrophobicContact CB-CB 4.11Å; K404-V410 HydrophobicContact CB-CG2 3.74Å; K404-V410 HydrophobicContact CD-CG2 4.28Å; K404-V410 PolarHBondContact O-N 3.16Å
405	I	93.7	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-44.8	172.2	-68.2	169.7	0	0	0	110	C401 I402 E403 R407 D408 V410 V413 L428 R637	C401-I405 VanDerWaalsContact O-CG1 3.26Å; C401-I405 WeakPolarHBondContact O-CG1 3.36Å; C401-I405 PolarHBondContact O-N 3.47Å; I402-I405 PolarHBondContact O-N 2.84Å; E403-I405 VanDerWaalsContact C-N 3.34Å; I405-R407 VanDerWaalsContact C-N 3.31Å; I405-R407 PolarHBondContact O-N 2.9Å; I405-D408 PolarHBondContact O-N 3.26Å; I405-D408 VanDerWaalsContact O-N 3.14Å; I405-V410 WeakPolarHBondContact CA-O 3.49Å; I405-V410 HydrophobicContact CG1-CB 4.03Å; I405-V410 HydrophobicContact CG1-CG1 4Å; I405-V413 HydrophobicContact CD1-CB 4.11Å; I405-V413 HydrophobicContact CD1-CG1 3.42Å; I405-V413 VanDerWaalsContact CD1-CG1 3.42Å; I405-L428 HydrophobicContact CB-CD1 4.12Å; I405-L428 HydrophobicContact CD1-CD1 4.35Å; I405-L428 HydrophobicContact CG2-CD1 3.75Å; I405-L428 HydrophobicContact CG2-CD2 3.56Å; I405-L428 HydrophobicContact CG2-CG 4.33Å; I405-R637 HydrophobicContact CG2-CG 3.79Å; I405-R637 WeakPolarHBondContact O-CD 3.46Å; I405-R637 PolarHBondContact O-NH1 2.85Å
406	K	87.8	Confident	94.4	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.039	13%	0.129	C	C	.	.	H	α-helix	trans	-56.6	-42.8	173.3	-89.8	-99.8	177.9	-171.3	0	112.9	D345 I402 E403 D408 C426 F719	D345-K406 WeakPolarHBondContact OD1-CD 3.49Å; D345-K406 WeakPolarHBondContact OD1-CE 3.47Å; D345-K406 IonicContact OD1-NZ 3.6Å; D345-K406 PolarHBondContact OD1-NZ 2.97Å; D345-K406 IonicContact OD2-NZ 3.54Å; D345-K406 PolarHBondContact OD2-NZ 2.94Å; I402-K406 PolarHBondContact O-N 2.96Å; E403-K406 VanDerWaalsContact O-CB 3.29Å; E403-K406 WeakPolarHBondContact O-CB 3.38Å; E403-K406 PolarHBondContact O-N 2.8Å; K406-D408 PolarHBondContact O-N 3.42Å; K406-C426 WeakPolarHBondContact CE-O 3.46Å; K406-C426 PolarHBondContact NZ-O 2.91Å; K406-F719 HydrophobicContact CB-CE1 3.76Å; K406-F719 HydrophobicContact CB-CZ 4.06Å; K406-F719 HydrophobicContact CD-CE1 4.14Å; K406-F719 HydrophobicContact CG-CE1 3.94Å
407	R	87.6	Confident	94.6	Very high	120 Å²	120	22.2 Å²	22.2	45%	0.453	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	1.3	-179.8	-68.7	170.5	-173.1	-123.1	5.8	114	L344 E403 K404 I405 E409 F719	L344-R407 HydrophobicContact CD1-CG 4.14Å; E403-R407 WeakPolarHBondContact O-CB 3.38Å; E403-R407 VanDerWaalsContact O-CG 3.25Å; E403-R407 WeakPolarHBondContact O-CG 3.49Å; E403-R407 PolarHBondContact O-N 2.78Å; E403-R407 IonicContact OE2-NH2 3.63Å; K404-R407 PolarHBondContact O-N 3.25Å; I405-R407 VanDerWaalsContact C-N 3.31Å; I405-R407 PolarHBondContact O-N 2.9Å; R407-E409 HydrophobicContact CB-CG 4.06Å; R407-E409 PolarHBondContact O-N 2.79Å; R407-F719 HydrophobicContact CG-CZ 4.43Å
408	D	86.9	Confident	94.7	Very high	31 Å²	31	21.7 Å²	21.7	17%	0.166	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	34.8	-175.8	-178.5	47.6	0	0	0	112.3	A348 K351 R366 K404 I405 K406 R637	A348-D408 HydrophobicContact CB-CB 4.39Å; K351-D408 WeakPolarHBondContact CD-OD2 3.48Å; K351-D408 WeakPolarHBondContact CE-OD2 3.44Å; K351-D408 IonicContact NZ-OD2 2.69Å; K351-D408 PolarHBondContact NZ-OD2 3.47Å; R366-D408 PolarHBondContact NH1-O 3.06Å; R366-D408 PolarHBondContact NH2-O 3.29Å; R366-D408 IonicContact NH2-OD1 3.3Å; R366-D408 PolarHBondContact NH2-OD1 2.67Å; K404-D408 PolarHBondContact O-N 3.3Å; I405-D408 PolarHBondContact O-N 3.26Å; I405-D408 VanDerWaalsContact O-N 3.14Å; K406-D408 PolarHBondContact O-N 3.42Å; D408-R637 IonicContact OD1-CZ 2.74Å; D408-R637 IonicContact OD1-NE 3.42Å; D408-R637 IonicContact OD1-NH2 3.62Å; D408-R637 PolarHBondContact OD1-NH2 2.66Å
409	E	90.9	Very high	94.8	Very high	81 Å²	81	20.6 Å²	20.6	38%	0.379	9%	0.092	S	C	.	.	S	Bend	trans	-92.9	-28.5	172.1	-66.9	177.5	-153.3	0	0	111.9	R366 K404 R407	R366-E409 PolarHBondContact NH1-O 2.8Å; K404-E409 HydrophobicContact CB-CB 4.11Å; K404-E409 HydrophobicContact CG-CB 4.35Å; K404-E409 IonicContact NZ-OE2 2.89Å; K404-E409 PolarHBondContact NZ-OE2 2.99Å; K404-E409 PolarHBondContact O-N 3.44Å; R407-E409 HydrophobicContact CB-CG 4.06Å; R407-E409 PolarHBondContact O-N 2.79Å
410	V	94.4	Very high	94.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.084	C	C	.	.			trans	-135.1	154.2	-178.4	178.3	0	0	0	0	109	R366 C368 V393 K404 I405 R637	R366-V410 WeakPolarHBondContact O-CG1 3.25Å; C368-V410 HydrophobicContact CB-CG1 3.67Å; V393-V410 HydrophobicContact CB-CG2 3.67Å; V393-V410 HydrophobicContact CG1-CG2 3.52Å; V393-V410 HydrophobicContact CG2-CG2 4.17Å; K404-V410 HydrophobicContact CB-CB 4.11Å; K404-V410 HydrophobicContact CB-CG2 3.74Å; K404-V410 HydrophobicContact CD-CG2 4.28Å; K404-V410 PolarHBondContact O-N 3.16Å; I405-V410 WeakPolarHBondContact CA-O 3.49Å; I405-V410 HydrophobicContact CG1-CB 4.03Å; I405-V410 HydrophobicContact CG1-CG1 4Å; V410-R637 PolarHBondContact O-NH1 3.49Å
411	D	94.3	Very high	94.9	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.037	8%	0.076	C	C	.	.			trans	-104.3	-41.9	-176.4	-61.6	-40.7	0	0	0	113.6	R366 T636 R637 L640	R366-D411 HydrophobicContact CB-CB 4.34Å; R366-D411 VanDerWaalsContact CB-OD2 3.28Å; R366-D411 WeakPolarHBondContact CB-OD2 3.39Å; R366-D411 WeakPolarHBondContact CG-OD2 3.38Å; R366-D411 IonicContact CZ-OD1 3.08Å; R366-D411 IonicContact CZ-OD2 3.36Å; R366-D411 PolarHBondContact N-OD2 2.91Å; R366-D411 IonicContact NE-OD1 2.6Å; R366-D411 PolarHBondContact NE-OD1 3.43Å; R366-D411 IonicContact NE-OD2 2.82Å; R366-D411 PolarHBondContact NE-OD2 2.87Å; R366-D411 IonicContact NH2-OD1 3.66Å; R366-D411 PolarHBondContact NH2-OD1 2.9Å; R366-D411 IonicContact NH2-OD2 3.37Å; R366-D411 WeakPolarHBondContact O-CA 3.44Å; R366-D411 WeakPolarHBondContact O-CB 3.37Å; R366-D411 PolarHBondContact O-N 3.49Å; D411-T636 WeakPolarHBondContact O-CB 3.43Å; D411-T636 PolarHBondContact O-OG1 2.86Å; D411-R637 IonicContact OD1-CZ 2.93Å; D411-R637 IonicContact OD1-NH1 3.66Å; D411-R637 IonicContact OD1-NH2 2.59Å; D411-R637 PolarHBondContact OD1-NH2 3.15Å; D411-L640 HydrophobicContact CB-CD1 3.82Å; D411-L640 VanDerWaalsContact OD1-CD1 3.31Å; D411-L640 WeakPolarHBondContact OD1-CD1 3.39Å
412	A	96.8	Very high	94.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.9	-175.5	0	0	0	0	0	112.8	R366 W367 C368 I634 V644	R366-A412 PolarHBondContact O-N 3.01Å; R366-A412 VanDerWaalsContact O-N 3.17Å; W367-A412 HydrophobicContact CE3-CB 3.84Å; W367-A412 HydrophobicContact CZ3-CB 3.71Å; C368-A412 PolarHBondContact N-O 3.04Å; A412-I634 HydrophobicContact CB-CG2 4.28Å; A412-V644 HydrophobicContact CB-CG1 3.9Å; A412-V644 HydrophobicContact CB-CG2 4.24Å
413	V	98.1	Very high	94.9	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.024	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	146.3	175.5	65.1	0	0	0	0	109.4	C368 M398 C401 I405 L415 I634 M635	C368-V413 HydrophobicContact CB-CB 3.7Å; C368-V413 HydrophobicContact CB-CG2 3.68Å; M398-V413 HydrophobicContact SD-CG2 4.14Å; C401-V413 HydrophobicContact CB-CB 4.3Å; C401-V413 HydrophobicContact CB-CG1 4.18Å; C401-V413 HydrophobicContact CB-CG2 4.04Å; I405-V413 HydrophobicContact CD1-CB 4.11Å; I405-V413 HydrophobicContact CD1-CG1 3.42Å; I405-V413 VanDerWaalsContact CD1-CG1 3.42Å; V413-L415 HydrophobicContact CB-CD2 4.49Å; V413-L415 HydrophobicContact CG1-CD1 4.15Å; V413-L415 HydrophobicContact CG1-CD2 3.62Å; V413-L415 HydrophobicContact CG1-CG 3.76Å; V413-L415 HydrophobicContact CG2-CD2 4.06Å; V413-I634 WeakPolarHBondContact O-CA 3.13Å; V413-M635 PolarHBondContact N-O 3.41Å; V413-M635 PolarHBondContact O-N 3.28Å
414	S	97.8	Very high	94.8	Very high	5 Å²	5	15.1 Å²	15.1	4%	0.035	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.6	167.3	-167.9	0	0	0	0	109.4	E434 L677	S414-E434 PolarHBondContact OG-OE1 3.31Å; S414-L677 WeakPolarHBondContact CB-O 3.44Å
415	L	98.2	Very high	94.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.2	-178	-62.7	-178.3	0	0	0	111.4	M398 I402 V413 H419 T420 A423 N632 S633 M635	M398-L415 HydrophobicContact CB-CD2 4.17Å; M398-L415 HydrophobicContact CG-CD2 4.39Å; M398-L415 HydrophobicContact SD-CD2 3.94Å; I402-L415 HydrophobicContact CD1-CD1 4.02Å; I402-L415 HydrophobicContact CG1-CD1 3.89Å; V413-L415 HydrophobicContact CB-CD2 4.49Å; V413-L415 HydrophobicContact CG1-CD1 4.15Å; V413-L415 HydrophobicContact CG1-CD2 3.62Å; V413-L415 HydrophobicContact CG1-CG 3.76Å; V413-L415 HydrophobicContact CG2-CD2 4.06Å; L415-H419 HydrophobicContact CB-CB 3.91Å; L415-H419 HydrophobicContact CD1-CB 4.27Å; L415-H419 HydrophobicContact CD2-CB 4.03Å; L415-H419 HydrophobicContact CG-CB 4.28Å; L415-T420 PolarHBondContact O-OG1 2.89Å; L415-A423 HydrophobicContact CD1-CB 3.52Å; L415-N632 CarbonylContact O-C 3.6Å; L415-N632 WeakPolarHBondContact O-CA 3.24Å; L415-N632 WeakPolarHBondContact O-CB 3.47Å; L415-S633 PolarHBondContact N-O 3.05Å; L415-S633 PolarHBondContact O-N 3.15Å; L415-M635 HydrophobicContact CD1-CB 4.07Å; L415-M635 HydrophobicContact CD1-CG 3.83Å; L415-M635 HydrophobicContact CG-CG 4.35Å
416	D	97.2	Very high	94.5	Very high	12 Å²	12	16.8 Å²	16.8	6%	0.064	8%	0.077	C	C	.	.			trans	-67.3	163.8	166.6	69.1	52.1	0	0	0	112.1	T418 H419 T420 H484 P488 N632	D416-T418 VanDerWaalsContact C-N 3.28Å; D416-T418 PolarHBondContact O-N 2.59Å; D416-T418 VanDerWaalsContact O-N 3.14Å; D416-T418 PolarHBondContact OD1-N 2.88Å; D416-T418 VanDerWaalsContact OD1-N 3.15Å; D416-H419 CarbonylContact O-C 3.58Å; D416-H419 PolarHBondContact O-N 3.24Å; D416-H419 IonicContact OD1-CG 3.43Å; D416-H419 PolarHBondContact OD1-N 3.2Å; D416-H419 IonicContact OD1-ND1 3.88Å; D416-H419 PolarHBondContact OD1-ND1 3.13Å; D416-H419 IonicContact OD2-CE1 2.88Å; D416-H419 IonicContact OD2-CG 3.7Å; D416-H419 IonicContact OD2-ND1 3.96Å; D416-H419 PolarHBondContact OD2-ND1 2.83Å; D416-T420 PolarHBondContact O-N 3.19Å; D416-T420 PolarHBondContact O-OG1 3.49Å; D416-H484 IonicContact OD2-CD2 3.59Å; D416-H484 IonicContact OD2-CE1 3.96Å; D416-H484 IonicContact OD2-NE2 2.62Å; D416-H484 PolarHBondContact OD2-NE2 3.25Å; D416-P488 HydrophobicContact CB-CG 3.97Å; D416-N632 WeakPolarHBondContact CA-OD1 3.49Å
417	A	97.3	Very high	94.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-52.8	-39.5	-173.2	0	0	0	0	0	114.4	F421 P488 P630 L697 F701	A417-F421 PolarHBondContact O-N 2.69Å; A417-P488 HydrophobicContact CB-CG 4.03Å; A417-P630 HydrophobicContact CB-CB 3.89Å; A417-P630 HydrophobicContact CB-CG 3.97Å; A417-L697 HydrophobicContact CB-CD2 3.69Å; A417-L697 WeakPolarHBondContact O-CD2 3.49Å; A417-F701 HydrophobicContact CB-CD1 4.3Å; A417-F701 HydrophobicContact CB-CE1 3.59Å; A417-F701 HydrophobicContact CB-CE2 4.19Å; A417-F701 HydrophobicContact CB-CZ 3.52Å
418	T	97.2	Very high	94.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71.5	-41.7	178.5	-47.5	0	0	0	0	110.8	D416 F421 L422 Y486 F709	D416-T418 VanDerWaalsContact C-N 3.28Å; D416-T418 PolarHBondContact O-N 2.59Å; D416-T418 VanDerWaalsContact O-N 3.14Å; D416-T418 PolarHBondContact OD1-N 2.88Å; D416-T418 VanDerWaalsContact OD1-N 3.15Å; T418-F421 WeakPolarHBondContact O-CB 3.31Å; T418-F421 PolarHBondContact O-N 3.18Å; T418-L422 WeakPolarHBondContact O-CG 3.48Å; T418-L422 PolarHBondContact O-N 3.2Å; T418-Y486 WeakPolarHBondContact CB-O 3.49Å; T418-Y486 VanDerWaalsContact CG2-O 3.3Å; T418-Y486 WeakPolarHBondContact CG2-O 3.43Å; T418-Y486 PolarHBondContact OG1-O 2.85Å; T418-F709 HydrophobicContact CG2-CE2 3.66Å; T418-F709 HydrophobicContact CG2-CZ 3.86Å
419	H	97.8	Very high	95	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-70.3	-30.7	176.3	-70.6	96.1	0	0	0	112.5	L415 D416 L422 A423	L415-H419 HydrophobicContact CB-CB 3.91Å; L415-H419 HydrophobicContact CD1-CB 4.27Å; L415-H419 HydrophobicContact CD2-CB 4.03Å; L415-H419 HydrophobicContact CG-CB 4.28Å; D416-H419 CarbonylContact O-C 3.58Å; D416-H419 PolarHBondContact O-N 3.24Å; D416-H419 IonicContact OD1-CG 3.43Å; D416-H419 PolarHBondContact OD1-N 3.2Å; D416-H419 IonicContact OD1-ND1 3.88Å; D416-H419 PolarHBondContact OD1-ND1 3.13Å; D416-H419 IonicContact OD2-CE1 2.88Å; D416-H419 IonicContact OD2-CG 3.7Å; D416-H419 IonicContact OD2-ND1 3.96Å; D416-H419 PolarHBondContact OD2-ND1 2.83Å; H419-L422 PolarHBondContact O-N 3.18Å; H419-A423 VanDerWaalsContact O-CB 3.24Å; H419-A423 WeakPolarHBondContact O-CB 3.47Å; H419-A423 PolarHBondContact O-N 3.14Å
420	T	97.9	Very high	95.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.7	-41.6	169	-64	0	0	0	0	111.1	L415 D416 A423 G424 M635 L697	L415-T420 PolarHBondContact O-OG1 2.89Å; D416-T420 PolarHBondContact O-N 3.19Å; D416-T420 PolarHBondContact O-OG1 3.49Å; T420-A423 PolarHBondContact O-N 2.88Å; T420-G424 PolarHBondContact O-N 3.19Å; T420-M635 HydrophobicContact CG2-CE 4.27Å; T420-M635 HydrophobicContact CG2-SD 3.95Å; T420-L697 HydrophobicContact CG2-CD1 4.46Å; T420-L697 HydrophobicContact CG2-CD2 4.18Å; T420-L697 HydrophobicContact CG2-CG 4.36Å
421	F	97.3	Very high	95.1	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.013	6%	0.058	C	C	.	.	H	α-helix	trans	-58.7	-48.2	171.8	169.6	-90.8	0	0	0	111.4	A417 T418 G424 K425 L697 Y702 A705 E706 F709	A417-F421 PolarHBondContact O-N 2.69Å; T418-F421 WeakPolarHBondContact O-CB 3.31Å; T418-F421 PolarHBondContact O-N 3.18Å; F421-G424 PolarHBondContact O-N 3Å; F421-K425 HydrophobicContact CD1-CG 4.49Å; F421-K425 HydrophobicContact CE1-CG 4.07Å; F421-K425 HydrophobicContact CE2-CG 4.34Å; F421-K425 HydrophobicContact CZ-CD 4.38Å; F421-K425 VanDerWaalsContact CZ-CE 3.41Å; F421-K425 HydrophobicContact CZ-CG 3.99Å; F421-K425 WeakPolarHBondContact O-CG 3.35Å; F421-K425 PolarHBondContact O-N 3.3Å; F421-L697 HydrophobicContact CB-CD1 3.79Å; F421-Y702 AromaticContact CD2-CD2 3.84Å; F421-Y702 HydrophobicContact CD2-CD2 3.84Å; F421-Y702 AromaticContact CD2-CE2 3.81Å; F421-Y702 HydrophobicContact CD2-CE2 3.81Å; F421-Y702 HydrophobicContact CE2-CD2 4.11Å; F421-Y702 HydrophobicContact CE2-CE1 4.48Å; F421-Y702 AromaticContact CE2-CE2 3.83Å; F421-Y702 HydrophobicContact CE2-CE2 3.83Å; F421-A705 HydrophobicContact CD1-CB 4.28Å; F421-A705 HydrophobicContact CD2-CB 4.11Å; F421-A705 HydrophobicContact CE2-CB 4.34Å; F421-A705 HydrophobicContact CG-CB 4.08Å; F421-E706 HydrophobicContact CE2-CB 4.12Å; F421-E706 HydrophobicContact CZ-CB 4.11Å; F421-F709 AromaticContact CD1-CD2 3.83Å; F421-F709 HydrophobicContact CD1-CD2 3.83Å; F421-F709 HydrophobicContact CD1-CE2 4.06Å; F421-F709 HydrophobicContact CE1-CB 4.25Å; F421-F709 AromaticContact CE1-CD2 3.5Å; F421-F709 HydrophobicContact CE1-CD2 3.5Å; F421-F709 VanDerWaalsContact CE1-CD2 3.5Å; F421-F709 HydrophobicContact CE1-CE2 4.19Å; F421-F709 HydrophobicContact CE1-CG 4.14Å; F421-F709 HydrophobicContact CZ-CD2 4.46Å
422	L	96.3	Very high	95	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.5	-47.5	178	-66.5	173.5	0	0	0	111.4	I402 T418 H419 G424 K425 C426 Y486 F709 I716 L717	I402-L422 HydrophobicContact CD1-CB 4.22Å; T418-L422 WeakPolarHBondContact O-CG 3.48Å; T418-L422 PolarHBondContact O-N 3.2Å; H419-L422 PolarHBondContact O-N 3.18Å; L422-G424 VanDerWaalsContact C-N 3.33Å; L422-G424 PolarHBondContact O-N 3.32Å; L422-K425 PolarHBondContact O-N 3.08Å; L422-C426 WeakPolarHBondContact O-CB 3.41Å; L422-C426 PolarHBondContact O-N 2.97Å; L422-C426 PolarHBondContact O-SG 2.89Å; L422-Y486 HydrophobicContact CD1-CD2 4.1Å; L422-F709 HydrophobicContact CD1-CZ 4.14Å; L422-F709 HydrophobicContact CD2-CD1 4.28Å; L422-F709 HydrophobicContact CD2-CD2 4.37Å; L422-F709 HydrophobicContact CD2-CE1 3.95Å; L422-F709 HydrophobicContact CD2-CE2 4.04Å; L422-F709 HydrophobicContact CD2-CG 4.49Å; L422-F709 HydrophobicContact CD2-CZ 3.83Å; L422-F709 HydrophobicContact CG-CE2 4.4Å; L422-F709 HydrophobicContact CG-CZ 4.2Å; L422-I716 HydrophobicContact CD1-CG2 4.1Å; L422-I716 HydrophobicContact CD2-CG2 4.29Å; L422-L717 HydrophobicContact CD2-CD1 3.89Å; L422-L717 HydrophobicContact CD2-CD2 3.65Å; L422-L717 HydrophobicContact CD2-CG 3.64Å
423	A	96	Very high	94.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.9	-40.5	177.1	0	0	0	0	0	112.4	I402 L415 H419 T420 C426 G427 L428 M635	I402-A423 HydrophobicContact CD1-CB 4.09Å; I402-A423 HydrophobicContact CG1-CB 4.21Å; L415-A423 HydrophobicContact CD1-CB 3.52Å; H419-A423 VanDerWaalsContact O-CB 3.24Å; H419-A423 WeakPolarHBondContact O-CB 3.47Å; H419-A423 PolarHBondContact O-N 3.14Å; T420-A423 PolarHBondContact O-N 2.88Å; A423-C426 CarbonylContact O-C 3.58Å; A423-C426 VanDerWaalsContact O-C 3.27Å; A423-C426 VanDerWaalsContact O-CA 3.32Å; A423-C426 WeakPolarHBondContact O-CA 3.43Å; A423-C426 VanDerWaalsContact O-CB 3.26Å; A423-C426 WeakPolarHBondContact O-CB 3.49Å; A423-C426 PolarHBondContact O-N 2.81Å; A423-C426 VanDerWaalsContact O-N 3.11Å; A423-G427 PolarHBondContact O-N 2.63Å; A423-G427 VanDerWaalsContact O-N 3.16Å; A423-L428 HydrophobicContact CB-CB 4.17Å; A423-L428 HydrophobicContact CB-CD1 4.03Å; A423-L428 HydrophobicContact CB-CG 4.46Å; A423-L428 WeakPolarHBondContact O-CB 3.43Å; A423-L428 PolarHBondContact O-N 3.21Å; A423-M635 HydrophobicContact CB-CB 4.35Å; A423-M635 HydrophobicContact CB-CE 3.92Å; A423-M635 HydrophobicContact CB-CG 4.11Å
424	G	93.4	Very high	94.8	Very high	8 Å²	8	8.6 Å²	8.6	8%	0.082	6%	0.055	C	C	.	.	H	α-helix	trans	-65.6	-41.9	174.7	0	0	0	0	0	112.8	T420 F421 L422 C426 G427	T420-G424 PolarHBondContact O-N 3.19Å; F421-G424 PolarHBondContact O-N 3Å; L422-G424 VanDerWaalsContact C-N 3.33Å; L422-G424 PolarHBondContact O-N 3.32Å; G424-C426 PolarHBondContact O-N 3.47Å; G424-G427 PolarHBondContact O-N 3.37Å
425	K	91.6	Very high	94.5	Very high	71 Å²	71	9.9 Å²	9.9	31%	0.309	6%	0.06	S	C	.	.	H	α-helix	trans	-64.3	-26.7	170.2	-66.7	-65.5	-169.2	-178.1	0	111.9	F421 L422 G427 Y702 E706 L717	F421-K425 HydrophobicContact CD1-CG 4.49Å; F421-K425 HydrophobicContact CE1-CG 4.07Å; F421-K425 HydrophobicContact CE2-CG 4.34Å; F421-K425 HydrophobicContact CZ-CD 4.38Å; F421-K425 VanDerWaalsContact CZ-CE 3.41Å; F421-K425 HydrophobicContact CZ-CG 3.99Å; F421-K425 WeakPolarHBondContact O-CG 3.35Å; F421-K425 PolarHBondContact O-N 3.3Å; L422-K425 PolarHBondContact O-N 3.08Å; K425-G427 VanDerWaalsContact C-N 3.27Å; K425-G427 PolarHBondContact O-N 3.31Å; K425-Y702 PolarHBondContact NZ-OH 2.9Å; K425-E706 IonicContact NZ-OE1 3.44Å; K425-E706 PolarHBondContact NZ-OE1 3.01Å; K425-L717 HydrophobicContact CB-CD2 3.82Å; K425-L717 HydrophobicContact CG-CD2 4.37Å
426	C	90.5	Very high	94.1	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.007	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2.7	168.9	-62.3	0	0	0	0	113.5	I402 K406 L422 A423 G424 L428 C720	I402-C426 HydrophobicContact CG2-CB 4.03Å; K406-C426 WeakPolarHBondContact CE-O 3.46Å; K406-C426 PolarHBondContact NZ-O 2.91Å; L422-C426 WeakPolarHBondContact O-CB 3.41Å; L422-C426 PolarHBondContact O-N 2.97Å; L422-C426 PolarHBondContact O-SG 2.89Å; A423-C426 CarbonylContact O-C 3.58Å; A423-C426 VanDerWaalsContact O-C 3.27Å; A423-C426 VanDerWaalsContact O-CA 3.32Å; A423-C426 WeakPolarHBondContact O-CA 3.43Å; A423-C426 VanDerWaalsContact O-CB 3.26Å; A423-C426 WeakPolarHBondContact O-CB 3.49Å; A423-C426 PolarHBondContact O-N 2.81Å; A423-C426 VanDerWaalsContact O-N 3.11Å; G424-C426 PolarHBondContact O-N 3.47Å; C426-L428 VanDerWaalsContact C-N 3.25Å; C426-L428 PolarHBondContact O-N 3.38Å; C426-C720 HydrophobicContact CB-CB 3.78Å; C426-C720 WeakPolarHBondContact CB-SG 3.41Å; C426-C720 WeakPolarHBondContact SG-CB 3.5Å; C426-C720 CovalentContact SG-SG 2Å; C426-C720 PolarHBondContact SG-SG 3Å
427	G	87.7	Confident	93.4	Very high	39 Å²	39	11.5 Å²	11.5	40%	0.402	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	15.5	178.3	0	0	0	0	0	114.7	A423 G424 K425	A423-G427 PolarHBondContact O-N 2.63Å; A423-G427 VanDerWaalsContact O-N 3.16Å; G424-G427 PolarHBondContact O-N 3.37Å; K425-G427 VanDerWaalsContact C-N 3.27Å; K425-G427 PolarHBondContact O-N 3.31Å
428	L	92	Very high	92.1	Very high	4 Å²	4	18 Å²	18	2%	0.021	11%	0.108	C	C	.	.			trans	-77.1	154.6	162.3	-55.5	-172.9	0	0	0	109.3	I402 I405 A423 C426 M635 T636 R637	I402-L428 HydrophobicContact CG2-CD1 4.03Å; I405-L428 HydrophobicContact CB-CD1 4.12Å; I405-L428 HydrophobicContact CD1-CD1 4.35Å; I405-L428 HydrophobicContact CG2-CD1 3.75Å; I405-L428 HydrophobicContact CG2-CD2 3.56Å; I405-L428 HydrophobicContact CG2-CG 4.33Å; A423-L428 HydrophobicContact CB-CB 4.17Å; A423-L428 HydrophobicContact CB-CD1 4.03Å; A423-L428 HydrophobicContact CB-CG 4.46Å; A423-L428 WeakPolarHBondContact O-CB 3.43Å; A423-L428 PolarHBondContact O-N 3.21Å; C426-L428 VanDerWaalsContact C-N 3.25Å; C426-L428 PolarHBondContact O-N 3.38Å; L428-M635 HydrophobicContact CB-CB 4.4Å; L428-M635 HydrophobicContact CB-CE 4.25Å; L428-T636 WeakPolarHBondContact CA-O 3.24Å; L428-T636 WeakPolarHBondContact CB-O 3.38Å; L428-R637 HydrophobicContact CD2-CG 4.11Å
429	V	91.8	Very high	90.8	Very high	33 Å²	33	24.9 Å²	24.9	20%	0.2	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.9	-177.5	-64.5	0	0	0	0	111.1	M635 T636 P638 T641	V429-M635 WeakPolarHBondContact O-CA 3.44Å; V429-T636 PolarHBondContact N-O 2.69Å; V429-T636 PolarHBondContact O-N 2.03Å; V429-P638 HydrophobicContact CG1-CG 4Å; V429-P638 HydrophobicContact CG2-CB 4.41Å; V429-P638 HydrophobicContact CG2-CG 4.28Å; V429-T641 WeakPolarHBondContact CG2-OG1 3.38Å
430	P	94.3	Very high	89.4	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	147.3	173	31.2	-34.9	0	0	0	110.5	M635 S689 I696	P430-M635 VanDerWaalsContact CA-SD 3.51Å; P430-M635 HydrophobicContact CB-SD 3.86Å; P430-S689 WeakPolarHBondContact O-CA 3.31Å; P430-I696 HydrophobicContact CB-CD1 3.55Å; P430-I696 HydrophobicContact CG-CD1 3.58Å
431	V	93.1	Very high	87.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-56.1	175.4	-174.7	0	0	0	0	109.8	I634 T636 T641 V644 Y645 T688 S689	V431-I634 PolarHBondContact N-O 3.28Å; V431-T636 HydrophobicContact CG2-CG2 3.16Å; V431-T641 HydrophobicContact CG1-CG2 4.47Å; V431-T641 HydrophobicContact CG2-CG2 4.32Å; V431-V644 HydrophobicContact CB-CG1 4.34Å; V431-V644 HydrophobicContact CG1-CB 4.25Å; V431-V644 HydrophobicContact CG1-CG1 4.07Å; V431-V644 HydrophobicContact CG2-CB 4.28Å; V431-V644 HydrophobicContact CG2-CG1 4.04Å; V431-Y645 HydrophobicContact CG1-CD2 4.39Å; V431-T688 PolarHBondContact O-N 2.88Å; V431-T688 VanDerWaalsContact O-N 3.16Å; V431-S689 PolarHBondContact O-N 3.23Å
432	V	93.6	Very high	85.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.6	174.3	-60.3	0	0	0	0	109.4	I634 Y645 L648 M649 F685 V686 T688	V432-I634 HydrophobicContact CG2-CB 3.96Å; V432-I634 HydrophobicContact CG2-CD1 3.81Å; V432-I634 HydrophobicContact CG2-CG1 3.9Å; V432-I634 PolarHBondContact O-N 2.63Å; V432-Y645 HydrophobicContact CG1-CD2 3.69Å; V432-Y645 HydrophobicContact CG1-CE2 4.03Å; V432-L648 HydrophobicContact CG2-CD1 3.51Å; V432-M649 HydrophobicContact CG1-CE 3.76Å; V432-F685 HydrophobicContact CB-CB 3.98Å; V432-F685 HydrophobicContact CB-CG 4.43Å; V432-F685 HydrophobicContact CG1-CB 4.37Å; V432-F685 HydrophobicContact CG2-CB 3.96Å; V432-F685 HydrophobicContact CG2-CD1 3.85Å; V432-F685 HydrophobicContact CG2-CD2 4.48Å; V432-F685 HydrophobicContact CG2-CG 3.85Å; V432-V686 CarbonylContact C-O 3.56Å; V432-V686 WeakPolarHBondContact CA-O 3.44Å; V432-V686 VanDerWaalsContact CB-O 3.27Å; V432-V686 WeakPolarHBondContact CB-O 3.36Å; V432-T688 VanDerWaalsContact C-OG1 3.3Å; V432-T688 WeakPolarHBondContact CA-OG1 3.31Å
433	T	94.8	Very high	83.7	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.2	177.7	-60.2	0	0	0	0	109.2	Y435 L454 P631 N632 S633 F685 V686 T688 I696	T433-Y435 PolarHBondContact O-N 2.7Å; T433-L454 HydrophobicContact CG2-CD1 4.24Å; T433-L454 HydrophobicContact CG2-CD2 4.25Å; T433-P631 HydrophobicContact CG2-CB 3.81Å; T433-P631 HydrophobicContact CG2-CG 3.54Å; T433-N632 WeakPolarHBondContact CG2-O 3.48Å; T433-S633 PolarHBondContact OG1-OG 3.3Å; T433-F685 WeakPolarHBondContact O-CA 3.49Å; T433-V686 PolarHBondContact N-O 3.28Å; T433-V686 PolarHBondContact O-N 2.95Å; T433-T688 PolarHBondContact N-OG1 3.36Å; T433-T688 WeakPolarHBondContact OG1-CG2 3.32Å; T433-T688 PolarHBondContact OG1-OG1 2.66Å; T433-I696 HydrophobicContact CG2-CG2 4.25Å
434	E	94.3	Very high	81.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.9	173.3	-68.8	177.6	-159.4	0	0	109.6	S414 Y436 P631 N632 I634 F678 K679 T682 F685	S414-E434 PolarHBondContact OG-OE1 3.31Å; E434-Y436 HydrophobicContact CB-CE1 3.62Å; E434-Y436 PolarHBondContact OE2-OH 3.41Å; E434-P631 WeakPolarHBondContact O-CB 3.45Å; E434-N632 HydrophobicContact CB-CB 4.36Å; E434-N632 VanDerWaalsContact CD-CB 3.44Å; E434-N632 HydrophobicContact CG-CB 4.05Å; E434-N632 PolarHBondContact N-O 2.98Å; E434-N632 WeakPolarHBondContact OE1-CB 3.01Å; E434-N632 PolarHBondContact OE1-ND2 3Å; E434-I634 HydrophobicContact CG-CD1 4.29Å; E434-F678 HydrophobicContact CG-CD1 4.45Å; E434-F678 VanDerWaalsContact OE1-CA 3.31Å; E434-F678 WeakPolarHBondContact OE1-CA 3.29Å; E434-K679 PolarHBondContact OE1-N 3.34Å; E434-K679 WeakPolarHBondContact OE2-CB 3.32Å; E434-K679 WeakPolarHBondContact OE2-CG 3.49Å; E434-K679 PolarHBondContact OE2-N 3.01Å; E434-T682 HydrophobicContact CB-CG2 3.95Å; E434-T682 HydrophobicContact CG-CG2 4Å; E434-T682 PolarHBondContact OE2-OG1 3.41Å; E434-T682 VanDerWaalsContact OE2-OG1 3.05Å; E434-F685 HydrophobicContact CG-CE1 4.23Å
435	Y	92.6	Very high	78.8	Confident	31 Å²	31	50.9 Å²	50.9	12%	0.122	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.6	-178.9	-178.4	-99.5	0	0	0	110.9	T433 E439 L449 T451 P455 H683 C684 V686	T433-Y435 PolarHBondContact O-N 2.7Å; Y435-E439 VanDerWaalsContact CE1-O 3.22Å; Y435-E439 WeakPolarHBondContact CE1-O 3.38Å; Y435-L449 HydrophobicContact CD1-CD2 4.32Å; Y435-L449 HydrophobicContact CE1-CD2 4.28Å; Y435-T451 HydrophobicContact CD2-CG2 4.38Å; Y435-T451 HydrophobicContact CE2-CG2 4.11Å; Y435-P455 HydrophobicContact CD2-CG 4.14Å; Y435-P455 HydrophobicContact CE2-CG 3.62Å; Y435-H683 PolarHBondContact O-N 2.88Å; Y435-C684 WeakPolarHBondContact CB-O 3.44Å; Y435-C684 PolarHBondContact N-O 3.36Å; Y435-V686 HydrophobicContact CD2-CG2 3.78Å; Y435-V686 HydrophobicContact CG-CG2 3.88Å
436	Y	89.9	Confident	76.7	Confident	36 Å²	36	50 Å²	50	14%	0.141	32%	0.322	C	S	.	.			trans	-107.2	8.4	-176.1	-48.2	-41.1	0	0	0	113.2	E434 P631 N632 K679 A681	E434-Y436 HydrophobicContact CB-CE1 3.62Å; E434-Y436 PolarHBondContact OE2-OH 3.41Å; Y436-P631 HydrophobicContact CD2-CB 4.17Å; Y436-P631 HydrophobicContact CE2-CB 3.58Å; Y436-N632 PolarHBondContact OH-N 2.57Å; Y436-K679 HydrophobicContact CE1-CB 4.15Å; Y436-K679 HydrophobicContact CE1-CD 4.43Å; Y436-K679 HydrophobicContact CE2-CD 4.45Å; Y436-K679 VanDerWaalsContact OH-CD 3.31Å; Y436-K679 WeakPolarHBondContact OH-CD 3.39Å; Y436-A681 HydrophobicContact CD1-CB 4.18Å; Y436-A681 WeakPolarHBondContact CD1-O 3.24Å
437	G	82.5	Confident	74.9	Confident	10 Å²	10	53.5 Å²	53.5	10%	0.103	35%	0.351	C	S	.	.	S	Bend	trans	-78.8	170	177.8	0	0	0	0	0	112.9	H683	G437-H683 PolarHBondContact O-CD2 2.98Å
438	T	70.2	Confident	73.6	Confident	137 Å²	137	53.7 Å²	53.7	84%	0.84	34%	0.342	S	S	*	.	S	Bend	trans	-78.8	-21.7	-170.9	51.8	0	0	0	0	114.9
439	E	68.5	Low	72.2	Confident	144 Å²	144	54.8 Å²	54.8	67%	0.673	35%	0.347	S	S	*	.			trans	-121.9	122.6	-177.3	-67	-174.8	177.4	0	0	111.6	Y435	Y435-E439 VanDerWaalsContact CE1-O 3.22Å; Y435-E439 WeakPolarHBondContact CE1-O 3.38Å
440	C	68.8	Low	70.8	Confident	55 Å²	55	58.7 Å²	58.7	37%	0.372	36%	0.364	S	S	.	.			trans	-111.4	48.2	175.1	-78.4	0	0	0	0	111.1	H683 C684	C440-H683 VanDerWaalsContact SG-C 3.59Å; C440-H683 WeakPolarHBondContact SG-CB 3.29Å; C440-C684 HydrophobicContact CB-CB 3.75Å; C440-C684 WeakPolarHBondContact CB-SG 3.45Å; C440-C684 WeakPolarHBondContact SG-CB 3.36Å; C440-C684 PolarHBondContact SG-N 3.26Å; C440-C684 CovalentContact SG-SG 2.04Å; C440-C684 PolarHBondContact SG-SG 2.91Å
441	A	59.9	Low	69.5	Low	64 Å²	64	60.3 Å²	60.3	53%	0.529	37%	0.373	S	S	.	.			trans	-105.6	126.9	179.4	0	0	0	0	0	110.7	L449	A441-L449 WeakPolarHBondContact O-CD1 3.42Å
442	P	59.5	Low	68	Low	64 Å²	64	67.1 Å²	67.1	42%	0.416	41%	0.41	S	S	.	.			trans	-61.7	149	171.2	-10.1	21.6	0	0	0	111	S446	P442-S446 VanDerWaalsContact CB-O 3.3Å; P442-S446 WeakPolarHBondContact CB-O 3.43Å
443	A	53.5	Low	67.1	Low	76 Å²	76	72.1 Å²	72.1	63%	0.628	44%	0.44	S	S	*	.			trans	-63.3	148.3	166.5	0	0	0	0	0	110.7	G445 S446	A443-G445 PolarHBondContact O-N 3.34Å; A443-S446 PolarHBondContact O-N 3.39Å
444	E	40.9	Very low	66.5	Low	207 Å²	207	73.2 Å²	73.2	97%	0.967	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	115.8	179.2	-78.5	-170.5	159.3	0	0	111.2
445	G	44.5	Very low	66.1	Low	93 Å²	93	75 Å²	75	96%	0.959	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	-6.1	179.8	0	0	0	0	0	115.9	A443	A443-G445 PolarHBondContact O-N 3.34Å
446	S	48.8	Very low	66	Low	51 Å²	51	76.4 Å²	76.4	36%	0.357	47%	0.471	S	S	.	.			trans	-99.8	141.4	169.4	-176.7	0	0	0	0	111.4	P442 A443 H448	P442-S446 VanDerWaalsContact CB-O 3.3Å; P442-S446 WeakPolarHBondContact CB-O 3.43Å; A443-S446 PolarHBondContact O-N 3.39Å; S446-H448 VanDerWaalsContact C-N 3.28Å; S446-H448 WeakPolarHBondContact CB-O 3.32Å; S446-H448 PolarHBondContact OG-N 3.12Å; S446-H448 PolarHBondContact OG-O 3.19Å
447	A	52.1	Low	66.1	Low	75 Å²	75	75.2 Å²	75.2	62%	0.62	47%	0.469	S	S	*	.	S	Bend	trans	-74.1	-20.7	171.9	0	0	0	0	0	112.5
448	H	61.1	Low	66.7	Low	44 Å²	44	75.5 Å²	75.5	20%	0.204	47%	0.469	C	S	.	.	S	Bend	trans	-141.1	158.3	-171.2	-53.9	-64.6	0	0	0	112.6	S446 E450 Y645 M649 E653	S446-H448 VanDerWaalsContact C-N 3.28Å; S446-H448 WeakPolarHBondContact CB-O 3.32Å; S446-H448 PolarHBondContact OG-N 3.12Å; S446-H448 PolarHBondContact OG-O 3.19Å; H448-E450 PolarHBondContact O-N 2.93Å; H448-Y645 PolarHBondContact CD2-OH 3.38Å; H448-Y645 VanDerWaalsContact CG-OH 3.28Å; H448-M649 HydrophobicContact CB-SD 4.42Å; H448-E653 IonicContact CE1-OE1 3.97Å; H448-E653 PolarHBondContact CE1-OE1 3.39Å
449	L	61.7	Low	68	Low	27 Å²	27	69 Å²	69	14%	0.141	43%	0.429	C	S	.	.			trans	-74.8	116.5	177	-177.9	64.8	0	0	0	110.1	Y435 A441 T451 V686 H687	Y435-L449 HydrophobicContact CD1-CD2 4.32Å; Y435-L449 HydrophobicContact CE1-CD2 4.28Å; A441-L449 WeakPolarHBondContact O-CD1 3.42Å; L449-T451 HydrophobicContact CD2-CG2 4.45Å; L449-T451 HydrophobicContact CG-CG2 4.3Å; L449-V686 HydrophobicContact CD2-CG2 3.72Å; L449-V686 HydrophobicContact CG-CG2 4.03Å; L449-H687 PolarHBondContact O-N 3.01Å
450	E	62.2	Low	69.4	Low	115 Å²	115	62.2 Å²	62.2	54%	0.537	40%	0.397	S	S	.	.			trans	-113.8	120	167	-67.2	-170.8	159.3	0	0	107.4	H448 H687	H448-E450 PolarHBondContact O-N 2.93Å; E450-H687 HydrophobicContact CG-CB 4.22Å; E450-H687 IonicContact OE1-CE1 3.02Å; E450-H687 IonicContact OE1-CG 3.44Å; E450-H687 IonicContact OE1-ND1 3.01Å; E450-H687 PolarHBondContact OE1-ND1 3.34Å
451	T	66	Low	70.8	Confident	38 Å²	38	59.7 Å²	59.7	23%	0.233	38%	0.38	C	S	.	.			trans	-142.6	137.5	179	173.8	0	0	0	0	109.7	Y435 L449 V453 V686	Y435-T451 HydrophobicContact CD2-CG2 4.38Å; Y435-T451 HydrophobicContact CE2-CG2 4.11Å; L449-T451 HydrophobicContact CD2-CG2 4.45Å; L449-T451 HydrophobicContact CG-CG2 4.3Å; T451-V453 VanDerWaalsContact C-N 3.25Å; T451-V453 WeakPolarHBondContact CG2-O 3.31Å; T451-V453 PolarHBondContact OG1-N 3.43Å; T451-V453 VanDerWaalsContact OG1-N 3.09Å; T451-V453 PolarHBondContact OG1-O 3.12Å; T451-V686 HydrophobicContact CG2-CG1 3.83Å; T451-V686 HydrophobicContact CG2-CG2 3.82Å
452	D	62	Low	72.6	Confident	143 Å²	143	56.6 Å²	56.6	77%	0.765	36%	0.355	S	S	*	.	S	Bend	trans	-77.6	-15	173.5	-66.4	-35.6	0	0	0	112.2
453	V	76	Confident	74.4	Confident	104 Å²	104	53.6 Å²	53.6	63%	0.63	34%	0.335	S	S	*	.			trans	-101	116	-179.6	-175.1	0	0	0	0	109.4	T451 P455	T451-V453 VanDerWaalsContact C-N 3.25Å; T451-V453 WeakPolarHBondContact CG2-O 3.31Å; T451-V453 PolarHBondContact OG1-N 3.43Å; T451-V453 VanDerWaalsContact OG1-N 3.09Å; T451-V453 PolarHBondContact OG1-O 3.12Å; V453-P455 WeakPolarHBondContact O-CD 3.05Å
454	L	82.5	Confident	76.3	Confident	24 Å²	24	50.8 Å²	50.8	13%	0.126	31%	0.309	C	S	.	.			trans	-111	101.2	179.3	-64.9	173.8	0	0	0	109.2	T433 S456 P631 V686 M691 I696	T433-L454 HydrophobicContact CG2-CD1 4.24Å; T433-L454 HydrophobicContact CG2-CD2 4.25Å; L454-S456 PolarHBondContact O-N 3.3Å; L454-S456 PolarHBondContact O-OG 3.25Å; L454-P631 HydrophobicContact CB-CG 3.95Å; L454-V686 HydrophobicContact CD2-CB 4.3Å; L454-V686 HydrophobicContact CD2-CG1 4.14Å; L454-M691 HydrophobicContact CD1-CE 4.4Å; L454-I696 HydrophobicContact CD1-CB 4.4Å; L454-I696 HydrophobicContact CD1-CG1 4.32Å; L454-I696 HydrophobicContact CD1-CG2 3.97Å
455	P	85.9	Confident	78.9	Confident	38 Å²	38	47.1 Å²	47.1	25%	0.247	29%	0.286	C	S	.	.			trans	-56.4	127.9	-180	-25.8	35.4	0	0	0	110.9	Y435 V453	Y435-P455 HydrophobicContact CD2-CG 4.14Å; Y435-P455 HydrophobicContact CE2-CG 3.62Å; V453-P455 WeakPolarHBondContact O-CD 3.05Å
456	S	88.5	Confident	81.1	Confident	59 Å²	59	47.4 Å²	47.4	41%	0.413	27%	0.273	S	S	.	.			trans	-100	149.7	-176.5	-63.7	0	0	0	0	111.2	L454 V629	L454-S456 PolarHBondContact O-N 3.3Å; L454-S456 PolarHBondContact O-OG 3.25Å; S456-V629 WeakPolarHBondContact CB-O 2.94Å
457	A	92.8	Very high	83.2	Confident	11 Å²	11	46.7 Å²	46.7	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	179	166.1	0	0	0	0	0	110	V629	A457-V629 HydrophobicContact CB-CB 4.21Å; A457-V629 PolarHBondContact N-O 2.7Å; A457-V629 PolarHBondContact O-N 3.39Å
458	V	95.7	Very high	84.9	Confident	17 Å²	17	53 Å²	53	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.1	175.1	-61.8	0	0	0	0	110.5	V460 E581 H582 W621 N625 G627	V458-V460 HydrophobicContact CG2-CG1 4.43Å; V458-E581 WeakPolarHBondContact O-CA 3.25Å; V458-H582 HydrophobicContact CG2-CB 3.64Å; V458-H582 PolarHBondContact O-N 3.11Å; V458-W621 HydrophobicContact CG1-CZ3 4.28Å; V458-W621 HydrophobicContact CG2-CE3 3.59Å; V458-W621 HydrophobicContact CG2-CZ3 3.96Å; V458-N625 HydrophobicContact CB-CB 4.15Å; V458-N625 HydrophobicContact CG2-CB 4.32Å; V458-G627 WeakPolarHBondContact CA-O 3.39Å
459	G	97	Very high	86.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	138.7	172.2	0	0	0	0	0	110.9	N625 L626 G627	G459-N625 WeakPolarHBondContact O-CB 3.24Å; G459-L626 WeakPolarHBondContact O-CB 3.48Å; G459-L626 PolarHBondContact O-N 3.36Å; G459-G627 PolarHBondContact N-O 2.87Å
460	V	97.9	Very high	87.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.5	-179.9	-66.8	0	0	0	0	111.5	V458 V462 L580 H582 L608 N625	V458-V460 HydrophobicContact CG2-CG1 4.43Å; V460-V462 HydrophobicContact CG2-CG2 3.96Å; V460-L580 HydrophobicContact CG2-CD1 3.61Å; V460-L580 HydrophobicContact CG2-CG 4.35Å; V460-L580 WeakPolarHBondContact CG2-O 3.45Å; V460-L580 PolarHBondContact N-O 3.41Å; V460-L580 PolarHBondContact O-N 3.13Å; V460-L580 VanDerWaalsContact O-N 3.12Å; V460-H582 HydrophobicContact CG1-CB 4.1Å; V460-H582 HydrophobicContact CG2-CB 4.41Å; V460-L608 HydrophobicContact CB-CD2 4.05Å; V460-L608 HydrophobicContact CG1-CD2 4.28Å; V460-L608 HydrophobicContact CG2-CD2 4.39Å; V460-N625 HydrophobicContact CG1-CB 4.19Å
461	A	98	Very high	89.4	Confident	2 Å²	2	54 Å²	54	2%	0.017	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.5	167.1	0	0	0	0	0	109.2	I472 V577 A578 F579 L608 L609 L626	A461-I472 HydrophobicContact CB-CD1 3.97Å; A461-V577 HydrophobicContact CB-CG2 4.36Å; A461-A578 CarbonylContact C-O 3.3Å; A461-A578 WeakPolarHBondContact CA-O 3.41Å; A461-F579 HydrophobicContact CB-CD1 3.92Å; A461-F579 HydrophobicContact CB-CE1 3.83Å; A461-L608 CarbonylContact O-C 3.5Å; A461-L608 WeakPolarHBondContact O-CA 3.35Å; A461-L609 HydrophobicContact CB-CB 3.96Å; A461-L609 HydrophobicContact CB-CG 4.46Å; A461-L609 PolarHBondContact O-N 3.28Å; A461-L626 HydrophobicContact CB-CD1 4.07Å; A461-L626 HydrophobicContact CB-CD2 4.31Å; A461-L626 HydrophobicContact CB-CG 4.46Å
462	V	97.7	Very high	90.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.8	-176	-173.9	0	0	0	0	109.7	V460 L565 V577 A578 L580 L585 F606 L608 L618	V460-V462 HydrophobicContact CG2-CG2 3.96Å; V462-L565 HydrophobicContact CB-CD2 4.31Å; V462-L565 HydrophobicContact CG1-CD2 3.97Å; V462-V577 CarbonylContact O-C 3.26Å; V462-V577 WeakPolarHBondContact O-CA 3.16Å; V462-A578 PolarHBondContact N-O 3.06Å; V462-A578 PolarHBondContact O-N 3.19Å; V462-L580 HydrophobicContact CG2-CD1 4Å; V462-L580 HydrophobicContact CG2-CD2 4.17Å; V462-L580 HydrophobicContact CG2-CG 4.12Å; V462-L585 HydrophobicContact CG2-CD2 3.89Å; V462-F606 HydrophobicContact CG1-CB 3.9Å; V462-F606 HydrophobicContact CG1-CD1 3.97Å; V462-F606 HydrophobicContact CG1-CG 4.28Å; V462-L608 HydrophobicContact CG2-CD2 4.18Å; V462-L618 HydrophobicContact CG1-CD2 4.41Å
463	A	96.9	Very high	92	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159	171.6	0	0	0	0	0	111	R465 I470 F606 E607 L609	A463-R465 PolarHBondContact O-N 2.94Å; A463-I470 HydrophobicContact CB-CG2 4.48Å; A463-F606 WeakPolarHBondContact O-CA 2.99Å; A463-E607 PolarHBondContact N-O 2.72Å; A463-E607 PolarHBondContact O-N 3.37Å; A463-L609 HydrophobicContact CB-CD1 4Å; A463-L609 HydrophobicContact CB-CD2 3.95Å; A463-L609 HydrophobicContact CB-CG 4.08Å
464	K	94.8	Very high	92.8	Very high	18 Å²	18	43.2 Å²	43.2	8%	0.078	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.3	174.3	-66.2	174.4	174.5	177.9	0	109.8	S466 S467 L565 V566 S573 W601 R615	K464-S466 PolarHBondContact O-N 2.93Å; K464-S467 WeakPolarHBondContact O-CB 3.26Å; K464-S467 PolarHBondContact O-N 3.33Å; K464-L565 WeakPolarHBondContact CE-O 3.37Å; K464-L565 HydrophobicContact CG-CD1 4.42Å; K464-L565 HydrophobicContact CG-CG 4.38Å; K464-L565 PolarHBondContact NZ-O 2.94Å; K464-V566 PolarHBondContact NZ-O 2.81Å; K464-S573 PolarHBondContact NZ-OG 3.16Å; K464-W601 HydrophobicContact CD-CH2 3.71Å; K464-W601 HydrophobicContact CD-CZ3 4.2Å; K464-W601 VanDerWaalsContact CE-CH2 3.45Å; K464-W601 HydrophobicContact CG-CH2 4.06Å; K464-W601 HydrophobicContact CG-CZ3 4.02Å; K464-R615 PolarHBondContact O-NH2 2.97Å
465	R	94.1	Very high	93.4	Very high	130 Å²	130	42 Å²	42	49%	0.491	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.7	176.7	-173	162.2	-161.4	-162.3	0.5	112.3	A463 S467 S604 D605 E607	A463-R465 PolarHBondContact O-N 2.94Å; R465-S467 PolarHBondContact O-N 2.68Å; R465-S604 WeakPolarHBondContact CD-O 3.22Å; R465-S604 PolarHBondContact NH1-O 2.88Å; R465-D605 WeakPolarHBondContact CB-O 3.27Å; R465-D605 PolarHBondContact N-O 2.87Å; R465-E607 HydrophobicContact CB-CG 4.17Å; R465-E607 WeakPolarHBondContact CD-OE1 3.36Å; R465-E607 HydrophobicContact CG-CG 4.04Å; R465-E607 WeakPolarHBondContact CG-OE1 3.41Å; R465-E607 IonicContact CZ-OE1 2.77Å; R465-E607 IonicContact NE-OE1 3.18Å; R465-E607 PolarHBondContact NE-OE1 2.95Å; R465-E607 IonicContact NH2-OE1 3.46Å
466	S	91.7	Very high	93.7	Very high	98 Å²	98	41.3 Å²	41.3	69%	0.685	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.2	174.1	58.4	0	0	0	0	113.7	K464 R468	K464-S466 PolarHBondContact O-N 2.93Å; S466-R468 PolarHBondContact O-N 3.44Å
467	S	92.1	Very high	93.9	Very high	36 Å²	36	40.8 Å²	40.8	25%	0.252	22%	0.22	S	C	.	.			trans	-90.5	66.7	-179.7	-59.4	0	0	0	0	111.7	K464 R465 N469 I470	K464-S467 WeakPolarHBondContact O-CB 3.26Å; K464-S467 PolarHBondContact O-N 3.33Å; R465-S467 PolarHBondContact O-N 2.68Å; S467-N469 PolarHBondContact O-N 3.41Å; S467-N469 VanDerWaalsContact O-N 3.11Å; S467-I470 PolarHBondContact O-N 3.13Å
468	R	89.1	Confident	93.9	Very high	209 Å²	209	44.4 Å²	44.4	79%	0.789	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.2	-172.7	-62.9	-173.3	-179.8	-172.9	0.1	115.5	S466 I470	S466-R468 PolarHBondContact O-N 3.44Å; R468-I470 VanDerWaalsContact C-N 3.31Å; R468-I470 PolarHBondContact O-N 3.36Å
469	N	90.7	Very high	93.9	Very high	125 Å²	125	46.6 Å²	46.6	67%	0.668	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	20.4	-173.6	-54.4	-13.5	0	0	0	112.4	S467 N474	S467-N469 PolarHBondContact O-N 3.41Å; S467-N469 VanDerWaalsContact O-N 3.11Å; N469-N474 PolarHBondContact O-ND2 2.9Å
470	I	94	Very high	93.8	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	24%	0.237	C	C	.	.			trans	-119	127.6	-175.8	-56.3	-174.9	0	0	0	109.4	A463 S467 R468 N474 L475 D576 L609	A463-I470 HydrophobicContact CB-CG2 4.48Å; S467-I470 PolarHBondContact O-N 3.13Å; R468-I470 VanDerWaalsContact C-N 3.31Å; R468-I470 PolarHBondContact O-N 3.36Å; I470-N474 WeakPolarHBondContact CA-OD1 3.46Å; I470-L475 HydrophobicContact CG2-CD2 3.64Å; I470-D576 HydrophobicContact CD1-CB 3.73Å; I470-L609 HydrophobicContact CG2-CD1 3.83Å; I470-L609 WeakPolarHBondContact O-CD2 3.27Å
471	F	94.1	Very high	93.8	Very high	77 Å²	77	46.5 Å²	46.5	34%	0.338	24%	0.237	S	C	.	.			trans	-153.5	163.9	175	59.8	-88.6	0	0	0	110.8	G473 N474 G613	F471-G473 PolarHBondContact O-N 2.88Å; F471-N474 HydrophobicContact CD1-CB 4.26Å; F471-N474 WeakPolarHBondContact CD1-ND2 3.49Å; F471-N474 HydrophobicContact CD2-CB 4.44Å; F471-N474 HydrophobicContact CE1-CB 3.81Å; F471-N474 VanDerWaalsContact CE1-CG 3.47Å; F471-N474 WeakPolarHBondContact CE1-ND2 3.04Å; F471-N474 HydrophobicContact CE2-CB 3.98Å; F471-N474 HydrophobicContact CZ-CB 3.64Å; F471-N474 PolarHBondContact N-OD1 2.94Å; F471-N474 PolarHBondContact O-N 3.39Å; F471-N474 VanDerWaalsContact O-N 3.16Å; F471-N474 PolarHBondContact O-OD1 3.37Å; F471-G613 VanDerWaalsContact CB-O 3.28Å; F471-G613 WeakPolarHBondContact CB-O 3.39Å
472	I	92	Very high	93.8	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.041	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	119.1	174.3	-61.4	-58.8	0	0	0	108.9	A461 L475 H497 F579 L609 C610	A461-I472 HydrophobicContact CB-CD1 3.97Å; I472-L475 HydrophobicContact CD1-CD1 4.11Å; I472-H497 HydrophobicContact CG2-CB 4.14Å; I472-F579 HydrophobicContact CD1-CE1 4.5Å; I472-L609 HydrophobicContact CD1-CB 4.1Å; I472-L609 HydrophobicContact CG1-CB 3.86Å; I472-C610 WeakPolarHBondContact CB-O 3.31Å; I472-C610 WeakPolarHBondContact CG1-O 3.2Å
473	G	90.5	Very high	93.6	Very high	7 Å²	7	46.5 Å²	46.5	7%	0.072	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	117.5	-16	-174.5	0	0	0	0	0	113.9	F471 T498 L499 S500 L501	F471-G473 PolarHBondContact O-N 2.88Å; G473-T498 VanDerWaalsContact CA-O 3.24Å; G473-T498 WeakPolarHBondContact CA-O 3.46Å; G473-T498 PolarHBondContact N-O 3.3Å; G473-T498 VanDerWaalsContact N-O 3.17Å; G473-L499 CarbonylContact C-O 3.59Å; G473-L499 WeakPolarHBondContact CA-O 3.31Å; G473-L499 PolarHBondContact N-O 3.44Å; G473-S500 CarbonylContact O-C 3.59Å; G473-S500 WeakPolarHBondContact O-CA 3.28Å; G473-L501 PolarHBondContact O-N 3.21Å
474	N	93.3	Very high	93.5	Very high	42 Å²	42	47.4 Å²	47.4	23%	0.225	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-123.8	26.4	177.4	91.6	-19.3	0	0	0	114.7	N469 I470 F471 G476 L499	N469-N474 PolarHBondContact O-ND2 2.9Å; I470-N474 WeakPolarHBondContact CA-OD1 3.46Å; F471-N474 HydrophobicContact CD1-CB 4.26Å; F471-N474 WeakPolarHBondContact CD1-ND2 3.49Å; F471-N474 HydrophobicContact CD2-CB 4.44Å; F471-N474 HydrophobicContact CE1-CB 3.81Å; F471-N474 VanDerWaalsContact CE1-CG 3.47Å; F471-N474 WeakPolarHBondContact CE1-ND2 3.04Å; F471-N474 HydrophobicContact CE2-CB 3.98Å; F471-N474 HydrophobicContact CZ-CB 3.64Å; F471-N474 PolarHBondContact N-OD1 2.94Å; F471-N474 PolarHBondContact O-N 3.39Å; F471-N474 VanDerWaalsContact O-N 3.16Å; F471-N474 PolarHBondContact O-OD1 3.37Å; N474-G476 PolarHBondContact O-N 3.12Å; N474-L499 PolarHBondContact N-O 3.43Å
475	L	94	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.			trans	-80.7	0.7	-177.4	-56.9	-178.4	0	0	0	113.9	I470 I472 G477 R478 L499 V518 F519 V577 F579	I470-L475 HydrophobicContact CG2-CD2 3.64Å; I472-L475 HydrophobicContact CD1-CD1 4.11Å; L475-G477 PolarHBondContact O-N 2.98Å; L475-R478 VanDerWaalsContact O-CB 3.29Å; L475-R478 WeakPolarHBondContact O-CB 3.33Å; L475-R478 WeakPolarHBondContact O-CG 3.19Å; L475-R478 PolarHBondContact O-N 3.42Å; L475-R478 VanDerWaalsContact O-N 3.11Å; L475-L499 VanDerWaalsContact CB-O 3.32Å; L475-L499 WeakPolarHBondContact CB-O 3.48Å; L475-L499 HydrophobicContact CD1-CB 4.43Å; L475-L499 HydrophobicContact CD1-CD2 4.11Å; L475-L499 PolarHBondContact N-O 3.47Å; L475-V518 HydrophobicContact CB-CG1 4.25Å; L475-F519 HydrophobicContact CB-CE1 3.78Å; L475-F519 HydrophobicContact CB-CZ 4.33Å; L475-F519 HydrophobicContact CD1-CE1 4.15Å; L475-F519 HydrophobicContact CD1-CZ 4.14Å; L475-V577 HydrophobicContact CD1-CG1 4.36Å; L475-V577 HydrophobicContact CD2-CB 4.45Å; L475-V577 HydrophobicContact CD2-CG1 4.24Å; L475-F579 HydrophobicContact CD1-CZ 3.93Å
476	G	92.8	Very high	93.6	Very high	22 Å²	22	41.1 Å²	41.1	23%	0.227	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	126.5	176	0	0	0	0	0	112.2	N474 R478 V518	N474-G476 PolarHBondContact O-N 3.12Å; G476-R478 PolarHBondContact O-N 2.91Å; G476-V518 CarbonylContact C-O 3.33Å; G476-V518 WeakPolarHBondContact CA-O 3.4Å
477	G	92.1	Very high	93.8	Very high	49 Å²	49	36.6 Å²	36.6	51%	0.505	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	2	179.8	0	0	0	0	0	115.3	L475 V518 W520	L475-G477 PolarHBondContact O-N 2.98Å; G477-V518 PolarHBondContact N-O 3.34Å; G477-W520 WeakPolarHBondContact O-CB 3.41Å
478	R	93.8	Very high	94	Very high	86 Å²	86	34.9 Å²	34.9	33%	0.325	17%	0.173	S	C	.	.			trans	-80.3	172	177.3	-58.2	-62.3	-175.8	176.8	-1	111.8	L475 G476 F519 W520 D576	L475-R478 VanDerWaalsContact O-CB 3.29Å; L475-R478 WeakPolarHBondContact O-CB 3.33Å; L475-R478 WeakPolarHBondContact O-CG 3.19Å; L475-R478 PolarHBondContact O-N 3.42Å; L475-R478 VanDerWaalsContact O-N 3.11Å; G476-R478 PolarHBondContact O-N 2.91Å; R478-F519 WeakPolarHBondContact O-CA 3.3Å; R478-W520 PolarHBondContact O-N 3.09Å; R478-D576 HydrophobicContact CB-CB 4.3Å
479	R	95	Very high	94.4	Very high	63 Å²	63	24.9 Å²	24.9	24%	0.238	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.1	172.7	-61.7	167.7	-66.9	166.9	4.8	111.5	W520 K521 S573 Y574 D576 V577	R479-W520 HydrophobicContact CG-CE3 4.37Å; R479-K521 WeakPolarHBondContact CA-O 3.39Å; R479-K521 HydrophobicContact CG-CB 4.44Å; R479-S573 PolarHBondContact NH1-O 3.08Å; R479-Y574 WeakPolarHBondContact CB-O 3.46Å; R479-Y574 WeakPolarHBondContact CD-O 3.49Å; R479-D576 IonicContact CZ-OD1 3.9Å; R479-D576 PolarHBondContact N-OD2 2.93Å; R479-D576 IonicContact NE-OD1 2.65Å; R479-D576 PolarHBondContact NE-OD1 3.42Å; R479-D576 IonicContact NE-OD2 3.43Å; R479-D576 PolarHBondContact NE-OD2 3.01Å; R479-D576 IonicContact NH2-OD1 3.94Å; R479-D576 PolarHBondContact NH2-OD1 3.35Å; R479-D576 PolarHBondContact O-N 3.35Å; R479-V577 PolarHBondContact O-N 2.94Å
480	S	96	Very high	94.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.9	-177.6	59.7	0	0	0	0	113.5	H482 F519 K521 G522 C523	S480-H482 WeakPolarHBondContact CB-NE2 3.39Å; S480-H482 PolarHBondContact OG-CD2 2.95Å; S480-H482 PolarHBondContact OG-NE2 2.96Å; S480-F519 WeakPolarHBondContact OG-CG 3.25Å; S480-K521 PolarHBondContact N-O 3.02Å; S480-G522 CarbonylContact O-C 3.33Å; S480-G522 WeakPolarHBondContact O-CA 3.46Å; S480-C523 PolarHBondContact O-N 2.76Å
481	C	97.4	Very high	94.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.7	171.6	-59.6	0	0	0	0	108.8	A561 C564 L565 G575 V577 A578 F579	C481-A561 WeakPolarHBondContact CB-O 3.37Å; C481-C564 HydrophobicContact CB-CB 3.54Å; C481-C564 WeakPolarHBondContact CB-SG 3.27Å; C481-C564 WeakPolarHBondContact SG-CB 3.4Å; C481-C564 CovalentContact SG-SG 2.03Å; C481-C564 PolarHBondContact SG-SG 2.71Å; C481-L565 PolarHBondContact SG-N 3.25Å; C481-G575 VanDerWaalsContact SG-CA 3.54Å; C481-V577 PolarHBondContact N-O 2.79Å; C481-A578 HydrophobicContact CB-CB 3.92Å; C481-A578 CarbonylContact O-C 3.52Å; C481-A578 VanDerWaalsContact O-CA 3.29Å; C481-A578 WeakPolarHBondContact O-CA 3.49Å; C481-F579 PolarHBondContact O-N 2.95Å
482	H	97.3	Very high	94.8	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.2	-178	-56.6	-100.4	0	0	0	108.8	S480 G490 C523 L524 P525 F579	S480-H482 WeakPolarHBondContact CB-NE2 3.39Å; S480-H482 PolarHBondContact OG-CD2 2.95Å; S480-H482 PolarHBondContact OG-NE2 2.96Å; H482-G490 PolarHBondContact ND1-O 3.21Å; H482-C523 PolarHBondContact N-O 2.94Å; H482-L524 HydrophobicContact CB-CB 4.2Å; H482-L524 HydrophobicContact CB-CD1 3.46Å; H482-L524 VanDerWaalsContact CB-CD1 3.46Å; H482-L524 HydrophobicContact CB-CG 4.42Å; H482-P525 WeakPolarHBondContact O-CD 3.43Å; H482-F579 AromaticContact CE1-CD2 3.7Å; H482-F579 AromaticContact CE1-CE2 3.91Å; H482-F579 AromaticContact ND1-CD2 3.68Å
483	G	94.4	Very high	94.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-57.3	-60.1	177.1	0	0	0	0	0	112.6	P525 G557	G483-P525 WeakPolarHBondContact O-CG 3.38Å; G483-G557 PolarHBondContact O-N 3.34Å
484	H	95.4	Very high	95.1	Very high	19 Å²	19	14.4 Å²	14.4	9%	0.088	8%	0.081	C	C	.	.			trans	-169.2	167	-179.4	53.6	-75.1	0	0	0	111.7	D416 Y486 S487 Y556	D416-H484 IonicContact OD2-CD2 3.59Å; D416-H484 IonicContact OD2-CE1 3.96Å; D416-H484 IonicContact OD2-NE2 2.62Å; D416-H484 PolarHBondContact OD2-NE2 3.25Å; H484-Y486 PolarHBondContact O-N 2.97Å; H484-S487 WeakPolarHBondContact O-CB 3.35Å; H484-S487 PolarHBondContact O-N 3.46Å; H484-S487 VanDerWaalsContact O-N 3.12Å; H484-Y556 HydrophobicContact CB-CD2 3.83Å; H484-Y556 HydrophobicContact CB-CE2 3.32Å; H484-Y556 AromaticContact CG-CE2 3.94Å; H484-Y556 AromaticContact CG-CZ 3.99Å
485	M	94.8	Very high	94.9	Very high	8 Å²	8	15 Å²	15	4%	0.039	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	134	171.5	-174.9	58.4	67.6	0	0	110	S487 W491 L524 P525 Y527	M485-S487 PolarHBondContact O-N 3.39Å; M485-S487 VanDerWaalsContact O-N 3.14Å; M485-W491 PolarHBondContact SD-NE1 2.86Å; M485-L524 HydrophobicContact CE-CD2 3.83Å; M485-L524 HydrophobicContact CE-CG 4.21Å; M485-P525 WeakPolarHBondContact CB-O 3.48Å; M485-P525 PolarHBondContact N-O 2.83Å; M485-Y527 HydrophobicContact CE-CD2 3.6Å; M485-Y527 HydrophobicContact CE-CG 4.06Å
486	Y	95.5	Very high	94.7	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.035	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	7.2	-175.5	-51.9	-38.3	0	0	0	115.8	T418 L422 H484 W491 F709 H713	T418-Y486 WeakPolarHBondContact CB-O 3.49Å; T418-Y486 VanDerWaalsContact CG2-O 3.3Å; T418-Y486 WeakPolarHBondContact CG2-O 3.43Å; T418-Y486 PolarHBondContact OG1-O 2.85Å; L422-Y486 HydrophobicContact CD1-CD2 4.1Å; H484-Y486 PolarHBondContact O-N 2.97Å; Y486-W491 HydrophobicContact CD1-CD2 4.1Å; Y486-W491 AromaticContact CD1-CE3 3.94Å; Y486-W491 HydrophobicContact CD1-CE3 3.94Å; Y486-W491 AromaticContact CD1-CH2 3.76Å; Y486-W491 HydrophobicContact CD1-CH2 3.76Å; Y486-W491 AromaticContact CD1-CZ2 3.92Å; Y486-W491 HydrophobicContact CD1-CZ2 3.92Å; Y486-W491 AromaticContact CD1-CZ3 3.78Å; Y486-W491 HydrophobicContact CD1-CZ3 3.78Å; Y486-W491 AromaticContact CE1-CH2 3.8Å; Y486-W491 HydrophobicContact CE1-CH2 3.8Å; Y486-W491 AromaticContact CE1-CZ2 3.81Å; Y486-W491 HydrophobicContact CE1-CZ2 3.81Å; Y486-W491 HydrophobicContact CE1-CZ3 4.28Å; Y486-F709 AromaticContact CD1-CE1 4Å; Y486-F709 HydrophobicContact CD1-CE1 4Å; Y486-F709 AromaticContact CD1-CZ 3.81Å; Y486-F709 HydrophobicContact CD1-CZ 3.81Å; Y486-F709 AromaticContact CE1-CE1 3.7Å; Y486-F709 HydrophobicContact CE1-CE1 3.7Å; Y486-F709 HydrophobicContact CE1-CZ 4.02Å; Y486-F709 HydrophobicContact CG-CZ 4.2Å; Y486-H713 PolarHBondContact OH-O 3.24Å
487	S	95.8	Very high	94.6	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.014	10%	0.099	C	C	.	.			trans	-51.4	130.2	169.5	172.5	0	0	0	0	112.1	H484 M485 G490 W491 L492	H484-S487 WeakPolarHBondContact O-CB 3.35Å; H484-S487 PolarHBondContact O-N 3.46Å; H484-S487 VanDerWaalsContact O-N 3.12Å; M485-S487 PolarHBondContact O-N 3.39Å; M485-S487 VanDerWaalsContact O-N 3.14Å; S487-G490 WeakPolarHBondContact OG-CA 3.34Å; S487-G490 PolarHBondContact OG-N 3.11Å; S487-W491 WeakPolarHBondContact O-CA 3.34Å; S487-W491 WeakPolarHBondContact O-CB 3.41Å; S487-W491 PolarHBondContact O-N 3.25Å; S487-L492 PolarHBondContact O-N 3.1Å
488	P	97.1	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	9%	0.093	C	C	.	.	I	π-helix	trans	-54.8	-55.6	175.2	-26.6	34	0	0	0	112.4	D416 A417 L492 L493 V629 F701	D416-P488 HydrophobicContact CB-CG 3.97Å; A417-P488 HydrophobicContact CB-CG 4.03Å; P488-L492 PolarHBondContact O-N 3.49Å; P488-L493 WeakPolarHBondContact O-CB 3.49Å; P488-L493 WeakPolarHBondContact O-CG 3.48Å; P488-L493 PolarHBondContact O-N 3.27Å; P488-V629 HydrophobicContact CB-CB 4.43Å; P488-V629 HydrophobicContact CB-CG1 3.65Å; P488-V629 HydrophobicContact CB-CG2 4.04Å; P488-V629 HydrophobicContact CG-CG1 4.09Å; P488-F701 HydrophobicContact CB-CE2 4.05Å; P488-F701 HydrophobicContact CB-CZ 4.04Å; P488-F701 HydrophobicContact CG-CZ 4.36Å
489	A	96.5	Very high	94.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-80.5	-32.4	-178.9	0	0	0	0	0	114	P494 E581 V629	A489-P494 WeakPolarHBondContact O-CD 3.23Å; A489-P494 WeakPolarHBondContact O-CG 3.46Å; A489-E581 HydrophobicContact CB-CB 4.46Å; A489-E581 HydrophobicContact CB-CG 3.54Å; A489-V629 HydrophobicContact CB-CG2 4.24Å
490	G	95.3	Very high	93.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-86.9	-22.4	-174.4	0	0	0	0	0	114.4	H482 S487	H482-G490 PolarHBondContact ND1-O 3.21Å; S487-G490 WeakPolarHBondContact OG-CA 3.34Å; S487-G490 PolarHBondContact OG-N 3.11Å
491	W	95.9	Very high	93.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-134.4	-39.5	-171.6	-175.2	93	0	0	0	113.9	M485 Y486 S487 P511 N512 Y515 V708 F709 T712	M485-W491 PolarHBondContact SD-NE1 2.86Å; Y486-W491 HydrophobicContact CD1-CD2 4.1Å; Y486-W491 AromaticContact CD1-CE3 3.94Å; Y486-W491 HydrophobicContact CD1-CE3 3.94Å; Y486-W491 AromaticContact CD1-CH2 3.76Å; Y486-W491 HydrophobicContact CD1-CH2 3.76Å; Y486-W491 AromaticContact CD1-CZ2 3.92Å; Y486-W491 HydrophobicContact CD1-CZ2 3.92Å; Y486-W491 AromaticContact CD1-CZ3 3.78Å; Y486-W491 HydrophobicContact CD1-CZ3 3.78Å; Y486-W491 AromaticContact CE1-CH2 3.8Å; Y486-W491 HydrophobicContact CE1-CH2 3.8Å; Y486-W491 AromaticContact CE1-CZ2 3.81Å; Y486-W491 HydrophobicContact CE1-CZ2 3.81Å; Y486-W491 HydrophobicContact CE1-CZ3 4.28Å; S487-W491 WeakPolarHBondContact O-CA 3.34Å; S487-W491 WeakPolarHBondContact O-CB 3.41Å; S487-W491 PolarHBondContact O-N 3.25Å; W491-P511 HydrophobicContact CD2-CB 4.33Å; W491-P511 HydrophobicContact CH2-CB 4.14Å; W491-P511 HydrophobicContact CH2-CG 3.58Å; W491-P511 HydrophobicContact CZ2-CB 3.67Å; W491-P511 HydrophobicContact CZ2-CG 3.63Å; W491-P511 HydrophobicContact CZ3-CG 4.06Å; W491-N512 PolarHBondContact NE1-OD1 3.43Å; W491-Y515 AromaticContact CD1-CE2 3.74Å; W491-Y515 HydrophobicContact CG-CE2 4.14Å; W491-Y515 WeakPolarHBondContact O-CE2 3.49Å; W491-Y515 PolarHBondContact O-OH 3.3Å; W491-V708 HydrophobicContact CH2-CG1 3.56Å; W491-V708 HydrophobicContact CZ3-CG1 3.75Å; W491-F709 HydrophobicContact CZ3-CZ 4.44Å; W491-T712 HydrophobicContact CH2-CG2 4.13Å; W491-T712 HydrophobicContact CZ2-CG2 4.17Å
492	L	95.5	Very high	91.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	I	π-helix	trans	-88.4	-47.5	-173.9	-172.6	67.7	0	0	0	113.4	S487 P488 F701 H704 A705 V708	S487-L492 PolarHBondContact O-N 3.1Å; P488-L492 PolarHBondContact O-N 3.49Å; L492-F701 HydrophobicContact CD2-CE1 4.02Å; L492-F701 HydrophobicContact CD2-CE2 3.88Å; L492-F701 HydrophobicContact CD2-CZ 3.53Å; L492-H704 PolarHBondContact O-NE2 2.93Å; L492-H704 VanDerWaalsContact O-NE2 3.1Å; L492-A705 HydrophobicContact CD2-CB 4.07Å; L492-V708 HydrophobicContact CD1-CB 3.98Å; L492-V708 HydrophobicContact CD1-CG1 4.03Å; L492-V708 HydrophobicContact CD1-CG2 3.8Å
493	L	94.9	Very high	90.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.152	C	C	.	.	S	Bend	trans	-70.1	-41.9	-177.7	-69.3	177.6	0	0	0	114.1	P488 Y495 R496 H497 L626 G627 V629	P488-L493 WeakPolarHBondContact O-CB 3.49Å; P488-L493 WeakPolarHBondContact O-CG 3.48Å; P488-L493 PolarHBondContact O-N 3.27Å; L493-Y495 PolarHBondContact O-N 2.91Å; L493-R496 WeakPolarHBondContact O-CB 3.37Å; L493-R496 PolarHBondContact O-N 3.16Å; L493-H497 PolarHBondContact O-CD2 3.01Å; L493-L626 HydrophobicContact CB-CB 4.3Å; L493-G627 WeakPolarHBondContact CD1-O 3.46Å; L493-V629 HydrophobicContact CD1-CG2 3.58Å
494	P	93.8	Very high	88.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-59.7	-32.5	-179.1	-23.9	34.4	0	0	0	112.8	A489 R496 H497 Y515 F579 L626	A489-P494 WeakPolarHBondContact O-CD 3.23Å; A489-P494 WeakPolarHBondContact O-CG 3.46Å; P494-R496 PolarHBondContact O-N 3.47Å; P494-H497 PolarHBondContact O-N 2.95Å; P494-H497 VanDerWaalsContact O-N 3.08Å; P494-Y515 HydrophobicContact CB-CE1 4.49Å; P494-F579 HydrophobicContact CB-CD1 3.8Å; P494-F579 HydrophobicContact CB-CE1 3.81Å; P494-F579 HydrophobicContact CB-CG 4.27Å; P494-F579 HydrophobicContact CB-CZ 4.3Å; P494-F579 HydrophobicContact CG-CB 4Å; P494-F579 HydrophobicContact CG-CD1 3.56Å; P494-F579 HydrophobicContact CG-CE1 4.12Å; P494-F579 HydrophobicContact CG-CG 3.79Å; P494-L626 HydrophobicContact CB-CD1 4.45Å; P494-L626 HydrophobicContact CG-CD1 4.09Å
495	Y	90	Very high	86.7	Confident	56 Å²	56	41.1 Å²	41.1	22%	0.22	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63.3	-21.6	177.6	168.5	-104.4	0	0	0	113.6	L493 H497 C509 P511 V514 Y515 H704 V708	L493-Y495 PolarHBondContact O-N 2.91Å; Y495-H497 PolarHBondContact O-N 2.84Å; Y495-C509 WeakPolarHBondContact OH-CA 3.31Å; Y495-C509 PolarHBondContact OH-O 3.16Å; Y495-P511 HydrophobicContact CD1-CG 3.92Å; Y495-P511 HydrophobicContact CD2-CB 4.06Å; Y495-P511 HydrophobicContact CD2-CG 4.04Å; Y495-P511 HydrophobicContact CE1-CG 4.4Å; Y495-P511 HydrophobicContact CE2-CG 4.5Å; Y495-P511 HydrophobicContact CG-CB 4Å; Y495-P511 HydrophobicContact CG-CG 3.75Å; Y495-V514 HydrophobicContact CD2-CB 4.34Å; Y495-V514 HydrophobicContact CD2-CG2 4.08Å; Y495-V514 HydrophobicContact CE2-CG2 3.81Å; Y495-Y515 VanDerWaalsContact CB-OH 3.26Å; Y495-Y515 WeakPolarHBondContact CB-OH 3.34Å; Y495-Y515 PolarHBondContact N-OH 3.29Å; Y495-H704 AromaticContact CD1-CE1 3.95Å; Y495-V708 HydrophobicContact CD1-CG2 3.86Å; Y495-V708 HydrophobicContact CE1-CG2 3.72Å
496	R	89.7	Confident	85	Confident	106 Å²	106	46 Å²	46	40%	0.4	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-67.8	-18.6	174.1	-64.8	-177	74.4	-179.6	-0.9	113	L493 P494 E700 H704	L493-R496 WeakPolarHBondContact O-CB 3.37Å; L493-R496 PolarHBondContact O-N 3.16Å; P494-R496 PolarHBondContact O-N 3.47Å; R496-E700 IonicContact CZ-OE1 2.94Å; R496-E700 VanDerWaalsContact CZ-OE1 3.25Å; R496-E700 IonicContact NH1-OE1 3.92Å; R496-E700 PolarHBondContact NH1-OE1 3.33Å; R496-E700 IonicContact NH2-OE1 3.01Å; R496-E700 PolarHBondContact NH2-OE1 3.19Å; R496-H704 WeakPolarHBondContact CG-CE1 3.38Å; R496-H704 WeakPolarHBondContact CG-NE2 3.47Å
497	H	89.8	Confident	83.4	Confident	45 Å²	45	48.3 Å²	48.3	21%	0.208	27%	0.265	C	S	.	.	S	Bend	trans	-106.8	152.2	-170.9	-60.2	-76.7	0	0	0	111.2	I472 L493 P494 Y495 L499 A611 L626	I472-H497 HydrophobicContact CG2-CB 4.14Å; L493-H497 PolarHBondContact O-CD2 3.01Å; P494-H497 PolarHBondContact O-N 2.95Å; P494-H497 VanDerWaalsContact O-N 3.08Å; Y495-H497 PolarHBondContact O-N 2.84Å; H497-L499 PolarHBondContact O-N 3.31Å; H497-A611 WeakPolarHBondContact ND1-CB 3.45Å; H497-L626 PolarHBondContact NE2-O 2.95Å
498	T	88.3	Confident	82.5	Confident	60 Å²	60	50.5 Å²	50.5	37%	0.368	28%	0.28	S	S	.	.			trans	-73.3	97.6	174.2	-60.5	0	0	0	0	109.4	G473 L501 N504	G473-T498 VanDerWaalsContact CA-O 3.24Å; G473-T498 WeakPolarHBondContact CA-O 3.46Å; G473-T498 PolarHBondContact N-O 3.3Å; G473-T498 VanDerWaalsContact N-O 3.17Å; T498-L501 HydrophobicContact CG2-CD2 4.19Å; T498-N504 HydrophobicContact CG2-CB 4.42Å; T498-N504 WeakPolarHBondContact CG2-ND2 3.36Å
499	L	89.1	Confident	81.8	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.031	30%	0.299	C	S	.	.			trans	-75	-29.2	-178	-59	-176.4	0	0	0	113.3	G473 N474 L475 H497 Y515 V518 F519 F579	G473-L499 CarbonylContact C-O 3.59Å; G473-L499 WeakPolarHBondContact CA-O 3.31Å; G473-L499 PolarHBondContact N-O 3.44Å; N474-L499 PolarHBondContact N-O 3.43Å; L475-L499 VanDerWaalsContact CB-O 3.32Å; L475-L499 WeakPolarHBondContact CB-O 3.48Å; L475-L499 HydrophobicContact CD1-CB 4.43Å; L475-L499 HydrophobicContact CD1-CD2 4.11Å; L475-L499 PolarHBondContact N-O 3.47Å; H497-L499 PolarHBondContact O-N 3.31Å; L499-Y515 HydrophobicContact CD1-CD1 3.82Å; L499-Y515 HydrophobicContact CD1-CE1 3.57Å; L499-V518 HydrophobicContact CB-CG1 4.05Å; L499-V518 HydrophobicContact CB-CG2 4.49Å; L499-F519 HydrophobicContact CD1-CE2 4.11Å; L499-F519 HydrophobicContact CD1-CZ 4.18Å; L499-F579 HydrophobicContact CD2-CZ 4.41Å
500	S	86.4	Confident	81.5	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.042	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-145.9	123	178.5	176.3	0	0	0	0	110.8	G473 E502 H503	G473-S500 CarbonylContact O-C 3.59Å; G473-S500 WeakPolarHBondContact O-CA 3.28Å; S500-E502 PolarHBondContact O-N 2.93Å; S500-E502 PolarHBondContact OG-N 3.21Å; S500-H503 PolarHBondContact O-N 3.5Å; S500-H503 PolarHBondContact OG-ND1 2.94Å
501	L	81.5	Confident	81.3	Confident	119 Å²	119	54.4 Å²	54.4	62%	0.623	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.4	-27.2	176.2	-68	170.5	0	0	0	112.9	G473 T498 H503 N504	G473-L501 PolarHBondContact O-N 3.21Å; T498-L501 HydrophobicContact CG2-CD2 4.19Å; L501-H503 VanDerWaalsContact C-N 3.26Å; L501-H503 PolarHBondContact O-N 2.95Å; L501-N504 WeakPolarHBondContact O-CB 3.32Å
502	E	73.3	Confident	81.1	Confident	167 Å²	167	55.4 Å²	55.4	78%	0.78	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-71.7	-20.4	-180	-63.8	178.8	169.2	0	0	113	S500	S500-E502 PolarHBondContact O-N 2.93Å; S500-E502 PolarHBondContact OG-N 3.21Å
503	H	69.1	Low	80.9	Confident	72 Å²	72	59.9 Å²	59.9	33%	0.333	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-109.2	18.9	-174.3	-62.9	85.1	0	0	0	112.7	S500 L501 S505 T517	S500-H503 PolarHBondContact O-N 3.5Å; S500-H503 PolarHBondContact OG-ND1 2.94Å; L501-H503 VanDerWaalsContact C-N 3.26Å; L501-H503 PolarHBondContact O-N 2.95Å; H503-S505 PolarHBondContact O-N 2.88Å; H503-T517 VanDerWaalsContact CD2-CG2 3.42Å; H503-T517 WeakPolarHBondContact CD2-CG2 3.22Å
504	N	59.5	Low	80.7	Confident	90 Å²	90	60.6 Å²	60.6	48%	0.481	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	16.6	-157.7	-153.8	18.4	0	0	0	116.8	T498 L501	T498-N504 HydrophobicContact CG2-CB 4.42Å; T498-N504 WeakPolarHBondContact CG2-ND2 3.36Å; L501-N504 WeakPolarHBondContact O-CB 3.32Å
505	S	49	Very low	80.7	Confident	116 Å²	116	60.6 Å²	60.6	81%	0.811	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-5.8	-172.6	46.7	0	0	0	0	116.4	H503	H503-S505 PolarHBondContact O-N 2.88Å
506	S	59.5	Low	80.7	Confident	110 Å²	110	59.6 Å²	59.6	77%	0.769	34%	0.336	S	S	*	.	S	Bend	trans	-169.3	46.6	174.5	60	0	0	0	0	111.8
507	A	62.5	Low	80.8	Confident	59 Å²	59	58.4 Å²	58.4	49%	0.488	34%	0.341	S	S	.	.			trans	-62.3	133.1	-178	0	0	0	0	0	110.2	V514	A507-V514 HydrophobicContact CB-CG2 4.1Å
508	P	74.9	Confident	80.9	Confident	48 Å²	48	56.4 Å²	56.4	31%	0.312	33%	0.332	S	S	.	.			trans	-56.2	147.3	174.2	-22.3	32.4	0	0	0	110.5	D510 Q513 V514	P508-D510 PolarHBondContact O-N 3.37Å; P508-Q513 HydrophobicContact CB-CB 3.86Å; P508-Q513 VanDerWaalsContact CB-OE1 3.28Å; P508-Q513 HydrophobicContact CG-CB 3.81Å; P508-V514 VanDerWaalsContact O-CG2 3.26Å; P508-V514 WeakPolarHBondContact O-CG2 3.32Å
509	C	83.5	Confident	81.2	Confident	60 Å²	60	53.7 Å²	53.7	41%	0.405	32%	0.315	S	S	.	.	S	Bend	trans	-73.5	-10.4	178.3	63	0	0	0	0	113.6	Y495 P511 C711	Y495-C509 WeakPolarHBondContact OH-CA 3.31Å; Y495-C509 PolarHBondContact OH-O 3.16Å; C509-P511 WeakPolarHBondContact O-CD 3.3Å; C509-C711 HydrophobicContact CB-CB 4.31Å; C509-C711 WeakPolarHBondContact CB-SG 3.25Å; C509-C711 WeakPolarHBondContact SG-CB 3.33Å; C509-C711 CovalentContact SG-SG 2.01Å; C509-C711 PolarHBondContact SG-SG 3.17Å
510	D	89.9	Confident	81.4	Confident	21 Å²	21	60.6 Å²	60.6	11%	0.112	34%	0.341	C	S	.	.	S	Bend	trans	-83.1	114.2	174.5	175	0.6	0	0	0	110.5	P508 N512 Q513 V514	P508-D510 PolarHBondContact O-N 3.37Å; D510-N512 PolarHBondContact O-N 2.73Å; D510-N512 VanDerWaalsContact O-N 3.14Å; D510-N512 VanDerWaalsContact OD1-CB 3.25Å; D510-N512 WeakPolarHBondContact OD1-CB 3.16Å; D510-N512 PolarHBondContact OD1-N 2.86Å; D510-N512 PolarHBondContact OD1-ND2 3.47Å; D510-Q513 HydrophobicContact CB-CB 4.49Å; D510-Q513 HydrophobicContact CB-CG 4.19Å; D510-Q513 PolarHBondContact O-N 3.02Å; D510-Q513 VanDerWaalsContact O-N 3.11Å; D510-Q513 PolarHBondContact OD2-NE2 2.51Å; D510-V514 PolarHBondContact O-N 2.71Å
511	P	92.1	Very high	81.7	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57	-31.5	-179.1	-26	35.5	0	0	0	113.5	W491 Y495 C509 Q513 V514 Y515 V708 T712	W491-P511 HydrophobicContact CD2-CB 4.33Å; W491-P511 HydrophobicContact CH2-CB 4.14Å; W491-P511 HydrophobicContact CH2-CG 3.58Å; W491-P511 HydrophobicContact CZ2-CB 3.67Å; W491-P511 HydrophobicContact CZ2-CG 3.63Å; W491-P511 HydrophobicContact CZ3-CG 4.06Å; Y495-P511 HydrophobicContact CD1-CG 3.92Å; Y495-P511 HydrophobicContact CD2-CB 4.06Å; Y495-P511 HydrophobicContact CD2-CG 4.04Å; Y495-P511 HydrophobicContact CE1-CG 4.4Å; Y495-P511 HydrophobicContact CE2-CG 4.5Å; Y495-P511 HydrophobicContact CG-CB 4Å; Y495-P511 HydrophobicContact CG-CG 3.75Å; C509-P511 WeakPolarHBondContact O-CD 3.3Å; P511-Q513 VanDerWaalsContact C-N 3.31Å; P511-Q513 PolarHBondContact O-N 2.92Å; P511-V514 PolarHBondContact O-N 2.89Å; P511-Y515 HydrophobicContact CB-CD2 4.23Å; P511-Y515 HydrophobicContact CB-CE2 3.69Å; P511-Y515 WeakPolarHBondContact O-CB 3.46Å; P511-Y515 WeakPolarHBondContact O-CD2 3.12Å; P511-Y515 PolarHBondContact O-N 2.69Å; P511-V708 HydrophobicContact CG-CG1 3.65Å; P511-T712 WeakPolarHBondContact CD-OG1 3.37Å
512	N	91.6	Very high	82.3	Confident	22 Å²	22	57.6 Å²	57.6	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-38.7	-179.5	-65.3	-42.2	0	0	0	111.9	W491 D510 S516 Y527	W491-N512 PolarHBondContact NE1-OD1 3.43Å; D510-N512 PolarHBondContact O-N 2.73Å; D510-N512 VanDerWaalsContact O-N 3.14Å; D510-N512 VanDerWaalsContact OD1-CB 3.25Å; D510-N512 WeakPolarHBondContact OD1-CB 3.16Å; D510-N512 PolarHBondContact OD1-N 2.86Å; D510-N512 PolarHBondContact OD1-ND2 3.47Å; N512-S516 VanDerWaalsContact O-CB 3.3Å; N512-S516 WeakPolarHBondContact O-CB 3.28Å; N512-S516 PolarHBondContact O-N 2.9Å; N512-S516 PolarHBondContact O-OG 3.38Å; N512-Y527 HydrophobicContact CB-CE2 3.93Å
513	Q	90.3	Very high	83.4	Confident	93 Å²	93	49.7 Å²	49.7	44%	0.435	29%	0.285	S	S	.	.	H	α-helix	trans	-71.4	-38.4	177.4	-65.2	176.1	37.1	0	0	111.2	P508 D510 P511 S516 T517	P508-Q513 HydrophobicContact CB-CB 3.86Å; P508-Q513 VanDerWaalsContact CB-OE1 3.28Å; P508-Q513 HydrophobicContact CG-CB 3.81Å; D510-Q513 HydrophobicContact CB-CB 4.49Å; D510-Q513 HydrophobicContact CB-CG 4.19Å; D510-Q513 PolarHBondContact O-N 3.02Å; D510-Q513 VanDerWaalsContact O-N 3.11Å; D510-Q513 PolarHBondContact OD2-NE2 2.51Å; P511-Q513 VanDerWaalsContact C-N 3.31Å; P511-Q513 PolarHBondContact O-N 2.92Å; Q513-S516 WeakPolarHBondContact CA-OG 3.23Å; Q513-S516 PolarHBondContact O-OG 3.33Å; Q513-S516 VanDerWaalsContact O-OG 3.07Å; Q513-T517 WeakPolarHBondContact O-CB 3.32Å; Q513-T517 PolarHBondContact O-N 3.35Å; Q513-T517 VanDerWaalsContact O-N 3.17Å; Q513-T517 PolarHBondContact O-OG1 2.84Å
514	V	90.9	Very high	84.7	Confident	17 Å²	17	46.3 Å²	46.3	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-52.9	174.9	178	0	0	0	0	110.6	Y495 A507 P508 D510 P511 S516 T517 V518	Y495-V514 HydrophobicContact CD2-CB 4.34Å; Y495-V514 HydrophobicContact CD2-CG2 4.08Å; Y495-V514 HydrophobicContact CE2-CG2 3.81Å; A507-V514 HydrophobicContact CB-CG2 4.1Å; P508-V514 VanDerWaalsContact O-CG2 3.26Å; P508-V514 WeakPolarHBondContact O-CG2 3.32Å; D510-V514 PolarHBondContact O-N 2.71Å; P511-V514 PolarHBondContact O-N 2.89Å; V514-S516 VanDerWaalsContact C-N 3.35Å; V514-S516 PolarHBondContact O-N 2.91Å; V514-T517 PolarHBondContact O-N 2.85Å; V514-T517 VanDerWaalsContact O-N 3.15Å; V514-V518 HydrophobicContact CG1-CG2 4.09Å; V514-V518 WeakPolarHBondContact O-CB 3.27Å; V514-V518 WeakPolarHBondContact O-CG2 3.42Å; V514-V518 PolarHBondContact O-N 3.41Å
515	Y	93.1	Very high	86.4	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-40.2	-177.5	-60.5	-30.6	0	0	0	112.6	W491 P494 Y495 L499 P511 T517 V518 F519	W491-Y515 AromaticContact CD1-CE2 3.74Å; W491-Y515 HydrophobicContact CG-CE2 4.14Å; W491-Y515 WeakPolarHBondContact O-CE2 3.49Å; W491-Y515 PolarHBondContact O-OH 3.3Å; P494-Y515 HydrophobicContact CB-CE1 4.49Å; Y495-Y515 VanDerWaalsContact CB-OH 3.26Å; Y495-Y515 WeakPolarHBondContact CB-OH 3.34Å; Y495-Y515 PolarHBondContact N-OH 3.29Å; L499-Y515 HydrophobicContact CD1-CD1 3.82Å; L499-Y515 HydrophobicContact CD1-CE1 3.57Å; P511-Y515 HydrophobicContact CB-CD2 4.23Å; P511-Y515 HydrophobicContact CB-CE2 3.69Å; P511-Y515 WeakPolarHBondContact O-CB 3.46Å; P511-Y515 WeakPolarHBondContact O-CD2 3.12Å; P511-Y515 PolarHBondContact O-N 2.69Å; Y515-T517 PolarHBondContact O-N 3.08Å; Y515-V518 PolarHBondContact O-N 2.83Å; Y515-F519 HydrophobicContact CD1-CD2 4.48Å; Y515-F519 AromaticContact CD1-CE2 3.96Å; Y515-F519 HydrophobicContact CD1-CE2 3.96Å; Y515-F519 HydrophobicContact CG-CE2 4.49Å; Y515-F519 WeakPolarHBondContact O-CB 3.42Å; Y515-F519 WeakPolarHBondContact O-CD2 3.48Å; Y515-F519 PolarHBondContact O-N 3.31Å
516	S	90.9	Very high	88.5	Confident	34 Å²	34	37.5 Å²	37.5	24%	0.238	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-25.8	177.8	57.7	0	0	0	0	113.6	N512 Q513 V514 Y527 N530	N512-S516 VanDerWaalsContact O-CB 3.3Å; N512-S516 WeakPolarHBondContact O-CB 3.28Å; N512-S516 PolarHBondContact O-N 2.9Å; N512-S516 PolarHBondContact O-OG 3.38Å; Q513-S516 WeakPolarHBondContact CA-OG 3.23Å; Q513-S516 PolarHBondContact O-OG 3.33Å; Q513-S516 VanDerWaalsContact O-OG 3.07Å; V514-S516 VanDerWaalsContact C-N 3.35Å; V514-S516 PolarHBondContact O-N 2.91Å; S516-Y527 WeakPolarHBondContact CB-OH 3.42Å; S516-N530 WeakPolarHBondContact CB-OD1 3.45Å; S516-N530 PolarHBondContact O-ND2 3Å
517	T	91	Very high	90.2	Very high	81 Å²	81	34.4 Å²	34.4	50%	0.497	19%	0.19	S	C	.	.	H	α-helix	trans	-83	-44.8	175.5	-53.6	0	0	0	0	111.5	H503 Q513 V514 Y515	H503-T517 VanDerWaalsContact CD2-CG2 3.42Å; H503-T517 WeakPolarHBondContact CD2-CG2 3.22Å; Q513-T517 WeakPolarHBondContact O-CB 3.32Å; Q513-T517 PolarHBondContact O-N 3.35Å; Q513-T517 VanDerWaalsContact O-N 3.17Å; Q513-T517 PolarHBondContact O-OG1 2.84Å; V514-T517 PolarHBondContact O-N 2.85Å; V514-T517 VanDerWaalsContact O-N 3.15Å; Y515-T517 PolarHBondContact O-N 3.08Å
518	V	92.4	Very high	91.5	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-69.2	-45.9	-177	171.3	0	0	0	0	111.5	L475 G476 G477 L499 V514 Y515	L475-V518 HydrophobicContact CB-CG1 4.25Å; G476-V518 CarbonylContact C-O 3.33Å; G476-V518 WeakPolarHBondContact CA-O 3.4Å; G477-V518 PolarHBondContact N-O 3.34Å; L499-V518 HydrophobicContact CB-CG1 4.05Å; L499-V518 HydrophobicContact CB-CG2 4.49Å; V514-V518 HydrophobicContact CG1-CG2 4.09Å; V514-V518 WeakPolarHBondContact O-CB 3.27Å; V514-V518 WeakPolarHBondContact O-CG2 3.42Å; V514-V518 PolarHBondContact O-N 3.41Å; Y515-V518 PolarHBondContact O-N 2.83Å
519	F	94.5	Very high	92.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	21%	0.213	C	C	.	.			trans	-97.7	135.8	-173	-59.4	-69.6	0	0	0	112.1	L475 R478 S480 L499 Y515 N530 L531 V577 F579	L475-F519 HydrophobicContact CB-CE1 3.78Å; L475-F519 HydrophobicContact CB-CZ 4.33Å; L475-F519 HydrophobicContact CD1-CE1 4.15Å; L475-F519 HydrophobicContact CD1-CZ 4.14Å; R478-F519 WeakPolarHBondContact O-CA 3.3Å; S480-F519 WeakPolarHBondContact OG-CG 3.25Å; L499-F519 HydrophobicContact CD1-CE2 4.11Å; L499-F519 HydrophobicContact CD1-CZ 4.18Å; Y515-F519 HydrophobicContact CD1-CD2 4.48Å; Y515-F519 AromaticContact CD1-CE2 3.96Å; Y515-F519 HydrophobicContact CD1-CE2 3.96Å; Y515-F519 HydrophobicContact CG-CE2 4.49Å; Y515-F519 WeakPolarHBondContact O-CB 3.42Å; Y515-F519 WeakPolarHBondContact O-CD2 3.48Å; Y515-F519 PolarHBondContact O-N 3.31Å; F519-N530 PolarHBondContact O-ND2 3.13Å; F519-L531 HydrophobicContact CB-CD2 3.85Å; F519-L531 HydrophobicContact CD2-CD2 4.36Å; F519-V577 HydrophobicContact CE1-CG1 4.05Å; F519-F579 HydrophobicContact CE2-CE2 4.36Å; F519-F579 AromaticContact CZ-CE2 3.76Å; F519-F579 HydrophobicContact CZ-CE2 3.76Å; F519-F579 HydrophobicContact CZ-CZ 4.03Å
520	W	92.3	Very high	92.7	Very high	151 Å²	151	38.2 Å²	38.2	57%	0.572	20%	0.201	S	C	*	.	S	Bend	trans	-68.2	-46.9	178.5	170.5	41.3	0	0	0	111.8	G477 R478 R479	G477-W520 WeakPolarHBondContact O-CB 3.41Å; R478-W520 PolarHBondContact O-N 3.09Å; R479-W520 HydrophobicContact CG-CE3 4.37Å
521	K	93.7	Very high	92.9	Very high	63 Å²	63	37.2 Å²	37.2	27%	0.274	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.3	177.3	-62.5	-176.8	-179.5	168.9	0	108.2	R479 S480 N530 K533	R479-K521 WeakPolarHBondContact CA-O 3.39Å; R479-K521 HydrophobicContact CG-CB 4.44Å; S480-K521 PolarHBondContact N-O 3.02Å; K521-N530 WeakPolarHBondContact CA-O 3.34Å; K521-K533 HydrophobicContact CB-CB 4.17Å; K521-K533 HydrophobicContact CD-CB 4.07Å; K521-K533 HydrophobicContact CD-CD 4.07Å; K521-K533 HydrophobicContact CG-CB 4.12Å; K521-K533 HydrophobicContact CG-CD 3.88Å
522	G	94.6	Very high	93	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	179.8	175.8	0	0	0	0	0	112.6	S480 N530 L531 C532 K533 V534	S480-G522 CarbonylContact O-C 3.33Å; S480-G522 WeakPolarHBondContact O-CA 3.46Å; G522-N530 PolarHBondContact N-O 3.12Å; G522-N530 VanDerWaalsContact N-O 3.1Å; G522-L531 VanDerWaalsContact C-C 3.48Å; G522-L531 CarbonylContact C-O 3.55Å; G522-L531 CarbonylContact O-C 3.53Å; G522-C532 CarbonylContact O-C 3.57Å; G522-C532 PolarHBondContact O-N 2.96Å; G522-K533 PolarHBondContact O-N 3.1Å; G522-V534 WeakPolarHBondContact O-CG2 3.42Å; G522-V534 PolarHBondContact O-N 3.32Å; G522-V534 VanDerWaalsContact O-N 3.14Å
523	C	95.9	Very high	93	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.8	160.8	-170.8	0	0	0	0	109.2	S480 H482 L531 V534 C535 Y555	S480-C523 PolarHBondContact O-N 2.76Å; H482-C523 PolarHBondContact N-O 2.94Å; C523-L531 CarbonylContact C-O 3.48Å; C523-L531 WeakPolarHBondContact CA-O 3.39Å; C523-L531 PolarHBondContact N-O 2.88Å; C523-V534 HydrophobicContact CB-CG2 4.45Å; C523-C535 WeakPolarHBondContact CA-SG 3.4Å; C523-C535 HydrophobicContact CB-CB 4.1Å; C523-C535 WeakPolarHBondContact CB-SG 3.19Å; C523-C535 WeakPolarHBondContact SG-CA 3.48Å; C523-C535 WeakPolarHBondContact SG-CB 3.35Å; C523-C535 CovalentContact SG-SG 2.05Å; C523-C535 PolarHBondContact SG-SG 2.96Å; C523-Y555 HydrophobicContact CB-CD2 4.24Å; C523-Y555 VanDerWaalsContact SG-CB 3.55Å
524	L	96.6	Very high	93.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.			trans	-126	88.7	171.5	175.7	62.5	0	0	0	106.6	H482 M485 G526 Y527 L531 C547	H482-L524 HydrophobicContact CB-CB 4.2Å; H482-L524 HydrophobicContact CB-CD1 3.46Å; H482-L524 VanDerWaalsContact CB-CD1 3.46Å; H482-L524 HydrophobicContact CB-CG 4.42Å; M485-L524 HydrophobicContact CE-CD2 3.83Å; M485-L524 HydrophobicContact CE-CG 4.21Å; L524-G526 PolarHBondContact O-N 3.35Å; L524-Y527 HydrophobicContact CD2-CD2 4.28Å; L524-Y527 HydrophobicContact CD2-CG 4.05Å; L524-Y527 WeakPolarHBondContact O-CB 3.42Å; L524-Y527 PolarHBondContact O-N 2.93Å; L524-L531 HydrophobicContact CB-CB 3.84Å; L524-L531 HydrophobicContact CB-CD1 4.45Å; L524-L531 HydrophobicContact CD2-CD1 3.86Å; L524-L531 PolarHBondContact N-O 2.84Å; L524-C547 PolarHBondContact O-SG 3.37Å
525	P	96	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	133.9	179	-28.8	37	0	0	0	111.9	H482 G483 M485 T548 E553 Y556	H482-P525 WeakPolarHBondContact O-CD 3.43Å; G483-P525 WeakPolarHBondContact O-CG 3.38Å; M485-P525 WeakPolarHBondContact CB-O 3.48Å; M485-P525 PolarHBondContact N-O 2.83Å; P525-T548 WeakPolarHBondContact CB-O 3.49Å; P525-E553 HydrophobicContact CG-CG 4.24Å; P525-Y556 HydrophobicContact CB-CD2 3.68Å; P525-Y556 HydrophobicContact CB-CE2 4.5Å; P525-Y556 HydrophobicContact CG-CD2 4.21Å
526	G	93	Very high	92.9	Very high	22 Å²	22	40.2 Å²	40.2	23%	0.227	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-4.6	-175.4	0	0	0	0	0	115.9	L524 C547	L524-G526 PolarHBondContact O-N 3.35Å; G526-C547 PolarHBondContact N-O 3.42Å
527	Y	93.3	Very high	92.8	Very high	45 Å²	45	38.6 Å²	38.6	18%	0.176	20%	0.199	C	C	.	.			trans	-83.8	172.5	173.7	-173.3	-114.3	0	0	0	113.3	M485 N512 S516 L524 L531 C532	M485-Y527 HydrophobicContact CE-CD2 3.6Å; M485-Y527 HydrophobicContact CE-CG 4.06Å; N512-Y527 HydrophobicContact CB-CE2 3.93Å; S516-Y527 WeakPolarHBondContact CB-OH 3.42Å; L524-Y527 HydrophobicContact CD2-CD2 4.28Å; L524-Y527 HydrophobicContact CD2-CG 4.05Å; L524-Y527 WeakPolarHBondContact O-CB 3.42Å; L524-Y527 PolarHBondContact O-N 2.93Å; Y527-L531 HydrophobicContact CD1-CB 3.48Å; Y527-L531 VanDerWaalsContact CD1-CB 3.48Å; Y527-L531 HydrophobicContact CD1-CD1 4.02Å; Y527-L531 HydrophobicContact CD1-CG 4Å; Y527-L531 HydrophobicContact CE1-CB 3.83Å; Y527-L531 HydrophobicContact CE1-CD1 3.86Å; Y527-L531 HydrophobicContact CE1-CG 3.84Å; Y527-L531 HydrophobicContact CG-CB 4.3Å; Y527-L531 HydrophobicContact CG-CD1 4.45Å; Y527-C532 VanDerWaalsContact C-SG 3.57Å; Y527-C532 PolarHBondContact O-SG 3.41Å
528	Q	90.2	Very high	92.4	Very high	170 Å²	170	35 Å²	35	79%	0.794	18%	0.178	S	C	*	.			trans	-128.7	118.5	168.2	-63.6	-173.3	-0.9	0	0	110.5
529	G	91.5	Very high	91.4	Very high	46 Å²	46	39.8 Å²	39.8	47%	0.474	21%	0.207	S	C	.	.	S	Bend	trans	132.4	-142.5	172.7	0	0	0	0	0	114.8	L531 C532	G529-L531 VanDerWaalsContact C-N 3.26Å; G529-L531 PolarHBondContact O-N 3.19Å; G529-C532 PolarHBondContact O-N 3.09Å; G529-C532 VanDerWaalsContact O-N 3.12Å
530	N	92.6	Very high	90.5	Very high	30 Å²	30	43 Å²	43	16%	0.16	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-62.9	-29.8	-175.9	61	-33.6	0	0	0	113.6	S516 F519 K521 G522 C532 K533	S516-N530 WeakPolarHBondContact CB-OD1 3.45Å; S516-N530 PolarHBondContact O-ND2 3Å; F519-N530 PolarHBondContact O-ND2 3.13Å; K521-N530 WeakPolarHBondContact CA-O 3.34Å; G522-N530 PolarHBondContact N-O 3.12Å; G522-N530 VanDerWaalsContact N-O 3.1Å; N530-C532 PolarHBondContact O-N 3.4Å; N530-K533 HydrophobicContact CB-CD 4.32Å; N530-K533 WeakPolarHBondContact O-CB 3.24Å; N530-K533 PolarHBondContact O-N 2.84Å
531	L	94.1	Very high	89.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-77.6	9.3	175.9	-47.1	169.7	0	0	0	113.8	F519 G522 C523 L524 Y527 G529	F519-L531 HydrophobicContact CB-CD2 3.85Å; F519-L531 HydrophobicContact CD2-CD2 4.36Å; G522-L531 VanDerWaalsContact C-C 3.48Å; G522-L531 CarbonylContact C-O 3.55Å; G522-L531 CarbonylContact O-C 3.53Å; C523-L531 CarbonylContact C-O 3.48Å; C523-L531 WeakPolarHBondContact CA-O 3.39Å; C523-L531 PolarHBondContact N-O 2.88Å; L524-L531 HydrophobicContact CB-CB 3.84Å; L524-L531 HydrophobicContact CB-CD1 4.45Å; L524-L531 HydrophobicContact CD2-CD1 3.86Å; L524-L531 PolarHBondContact N-O 2.84Å; Y527-L531 HydrophobicContact CD1-CB 3.48Å; Y527-L531 VanDerWaalsContact CD1-CB 3.48Å; Y527-L531 HydrophobicContact CD1-CD1 4.02Å; Y527-L531 HydrophobicContact CD1-CG 4Å; Y527-L531 HydrophobicContact CE1-CB 3.83Å; Y527-L531 HydrophobicContact CE1-CD1 3.86Å; Y527-L531 HydrophobicContact CE1-CG 3.84Å; Y527-L531 HydrophobicContact CG-CB 4.3Å; Y527-L531 HydrophobicContact CG-CD1 4.45Å; G529-L531 VanDerWaalsContact C-N 3.26Å; G529-L531 PolarHBondContact O-N 3.19Å
532	C	94.6	Very high	87.7	Confident	23 Å²	23	42.6 Å²	42.6	16%	0.155	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-111.2	-0.3	167.8	-71.9	0	0	0	0	113.1	G522 Y527 G529 N530 V534 C535 C547	G522-C532 CarbonylContact O-C 3.57Å; G522-C532 PolarHBondContact O-N 2.96Å; Y527-C532 VanDerWaalsContact C-SG 3.57Å; Y527-C532 PolarHBondContact O-SG 3.41Å; G529-C532 PolarHBondContact O-N 3.09Å; G529-C532 VanDerWaalsContact O-N 3.12Å; N530-C532 PolarHBondContact O-N 3.4Å; C532-V534 VanDerWaalsContact C-N 3.32Å; C532-V534 PolarHBondContact O-N 3.4Å; C532-C535 PolarHBondContact O-N 3.47Å; C532-C547 WeakPolarHBondContact CA-SG 3.3Å; C532-C547 HydrophobicContact CB-CB 3.48Å; C532-C547 VanDerWaalsContact CB-CB 3.48Å; C532-C547 WeakPolarHBondContact CB-SG 3.12Å; C532-C547 WeakPolarHBondContact SG-CB 3.49Å; C532-C547 CovalentContact SG-SG 2.03Å; C532-C547 PolarHBondContact SG-SG 3.48Å
533	K	91.8	Very high	86.4	Confident	119 Å²	119	44.9 Å²	44.9	52%	0.517	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-23.7	-169.8	-74.6	178.4	177.2	172.4	0	113.9	K521 G522 N530	K521-K533 HydrophobicContact CB-CB 4.17Å; K521-K533 HydrophobicContact CD-CB 4.07Å; K521-K533 HydrophobicContact CD-CD 4.07Å; K521-K533 HydrophobicContact CG-CB 4.12Å; K521-K533 HydrophobicContact CG-CD 3.88Å; G522-K533 PolarHBondContact O-N 3.1Å; N530-K533 HydrophobicContact CB-CD 4.32Å; N530-K533 WeakPolarHBondContact O-CB 3.24Å; N530-K533 PolarHBondContact O-N 2.84Å
534	V	91.4	Very high	85.1	Confident	17 Å²	17	50.9 Å²	50.9	10%	0.103	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	2.4	176.5	-81.7	0	0	0	0	113.9	G522 C523 C532 Y555 Y574	G522-V534 WeakPolarHBondContact O-CG2 3.42Å; G522-V534 PolarHBondContact O-N 3.32Å; G522-V534 VanDerWaalsContact O-N 3.14Å; C523-V534 HydrophobicContact CB-CG2 4.45Å; C532-V534 VanDerWaalsContact C-N 3.32Å; C532-V534 PolarHBondContact O-N 3.4Å; V534-Y555 WeakPolarHBondContact O-CD2 3.24Å; V534-Y555 VanDerWaalsContact O-CE2 3.28Å; V534-Y555 WeakPolarHBondContact O-CE2 3.41Å; V534-Y574 HydrophobicContact CB-CD1 4.25Å; V534-Y574 HydrophobicContact CG1-CD1 3.8Å; V534-Y574 HydrophobicContact CG1-CG 4.43Å
535	C	92.4	Very high	84.4	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.02	33%	0.332	C	S	.	.			trans	-63.4	146.6	168.6	-62.8	0	0	0	0	111.6	C523 C532 R546 C547 E553	C523-C535 WeakPolarHBondContact CA-SG 3.4Å; C523-C535 HydrophobicContact CB-CB 4.1Å; C523-C535 WeakPolarHBondContact CB-SG 3.19Å; C523-C535 WeakPolarHBondContact SG-CA 3.48Å; C523-C535 WeakPolarHBondContact SG-CB 3.35Å; C523-C535 CovalentContact SG-SG 2.05Å; C523-C535 PolarHBondContact SG-SG 2.96Å; C532-C535 PolarHBondContact O-N 3.47Å; C535-R546 HydrophobicContact CB-CB 4.47Å; C535-R546 WeakPolarHBondContact O-CD 3.07Å; C535-C547 HydrophobicContact CB-CB 4.11Å; C535-C547 PolarHBondContact SG-SG 2.9Å; C535-E553 WeakPolarHBondContact CB-OE2 3.43Å
536	M	88.7	Confident	84.1	Confident	33 Å²	33	65 Å²	65	16%	0.163	36%	0.361	C	S	.	.			trans	-98.2	-26.9	-169.7	-160.8	-177	-57.9	0	0	112.7	E553 R554 Y555 D568 W597	M536-E553 PolarHBondContact N-OE1 2.76Å; M536-R554 PolarHBondContact SD-NH2 2.98Å; M536-Y555 HydrophobicContact CB-CD2 4.32Å; M536-Y555 HydrophobicContact CB-CE2 4.22Å; M536-Y555 HydrophobicContact CE-CE1 3.56Å; M536-Y555 HydrophobicContact CE-CE2 4.05Å; M536-Y555 WeakPolarHBondContact CE-OH 3.45Å; M536-D568 HydrophobicContact CE-CB 3.49Å; M536-D568 VanDerWaalsContact CE-CB 3.49Å; M536-D568 HydrophobicContact SD-CB 4.41Å; M536-W597 HydrophobicContact CE-CH2 3.87Å; M536-W597 HydrophobicContact CE-CZ2 3.75Å; M536-W597 HydrophobicContact SD-CH2 3.96Å; M536-W597 HydrophobicContact SD-CZ2 4.44Å
537	G	87.9	Confident	84.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.354	C	S	.	.			trans	77.1	179.7	-167.7	0	0	0	0	0	112.4	E553 R554	G537-E553 VanDerWaalsContact CA-OE2 3.25Å; G537-E553 WeakPolarHBondContact CA-OE2 3.43Å; G537-E553 VanDerWaalsContact N-CD 3.27Å; G537-E553 PolarHBondContact N-OE1 2.99Å; G537-E553 PolarHBondContact N-OE2 2.9Å; G537-R554 PolarHBondContact O-NE 3.37Å; G537-R554 VanDerWaalsContact O-NE 3.11Å
538	G	82.7	Confident	84.2	Confident	5 Å²	5	63.9 Å²	63.9	5%	0.052	36%	0.355	C	S	.	.			trans	-87	-157.2	-177.6	0	0	0	0	0	115	A542 A543 N552	G538-A542 PolarHBondContact N-O 3.16Å; G538-A542 VanDerWaalsContact N-O 3.08Å; G538-A543 WeakPolarHBondContact O-CA 3.42Å; G538-N552 WeakPolarHBondContact CA-O 3.49Å; G538-N552 PolarHBondContact N-O 3.41Å
539	T	71.7	Confident	84.4	Confident	106 Å²	106	56.4 Å²	56.4	65%	0.65	32%	0.321	S	S	*	.	S	Bend	trans	-110.9	160.8	171.6	57.1	0	0	0	0	110.3	E541 A542	T539-E541 PolarHBondContact O-N 3.36Å; T539-A542 PolarHBondContact O-N 2.82Å; T539-A542 VanDerWaalsContact O-N 3.13Å
540	G	75.2	Confident	84.5	Confident	68 Å²	68	54.6 Å²	54.6	70%	0.701	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	58.6	-128.5	179.1	0	0	0	0	0	113.2	A542 A543	G540-A542 PolarHBondContact O-N 3.08Å; G540-A543 VanDerWaalsContact O-CB 3.24Å; G540-A543 WeakPolarHBondContact O-CB 3.46Å; G540-A543 PolarHBondContact O-N 3.05Å; G540-A543 VanDerWaalsContact O-N 3.1Å
541	E	63.7	Low	84.5	Confident	188 Å²	188	54.1 Å²	54.1	88%	0.879	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.3	179.1	-65.3	-173.7	172.5	0	0	113.8	T539	T539-E541 PolarHBondContact O-N 3.36Å
542	A	64.6	Low	84.4	Confident	19 Å²	19	55.8 Å²	55.8	16%	0.157	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-87.8	-3.9	177.6	0	0	0	0	0	113.6	G538 T539 G540 T544 K545 N552	G538-A542 PolarHBondContact N-O 3.16Å; G538-A542 VanDerWaalsContact N-O 3.08Å; T539-A542 PolarHBondContact O-N 2.82Å; T539-A542 VanDerWaalsContact O-N 3.13Å; G540-A542 PolarHBondContact O-N 3.08Å; A542-T544 PolarHBondContact O-N 2.99Å; A542-K545 PolarHBondContact O-N 2.84Å; A542-K545 VanDerWaalsContact O-N 3.11Å; A542-N552 HydrophobicContact CB-CB 4.36Å
543	A	66.3	Low	84.4	Confident	47 Å²	47	54.7 Å²	54.7	39%	0.388	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.9	-177.1	0	0	0	0	0	113.8	G538 G540	G538-A543 WeakPolarHBondContact O-CA 3.42Å; G540-A543 VanDerWaalsContact O-CB 3.24Å; G540-A543 WeakPolarHBondContact O-CB 3.46Å; G540-A543 PolarHBondContact O-N 3.05Å; G540-A543 VanDerWaalsContact O-N 3.1Å
544	T	68.7	Low	84.4	Confident	127 Å²	127	52.4 Å²	52.4	78%	0.779	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.8	177.6	57.8	0	0	0	0	113.1	A542 R546	A542-T544 PolarHBondContact O-N 2.99Å; T544-R546 PolarHBondContact O-N 3.35Å
545	K	82.3	Confident	84.5	Confident	133 Å²	133	51.7 Å²	51.7	58%	0.578	28%	0.282	S	S	*	.			trans	-96.7	86.6	-178.4	-62.8	-176	-177.3	176.8	0	109.6	A542 T548	A542-K545 PolarHBondContact O-N 2.84Å; A542-K545 VanDerWaalsContact O-N 3.11Å; K545-T548 HydrophobicContact CB-CG2 3.78Å
546	R	89.4	Confident	84.6	Confident	163 Å²	163	51.9 Å²	51.9	62%	0.615	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	152.2	175.8	-62.2	-177	-179.2	180	3.4	111.1	C535 T544 T548	C535-R546 HydrophobicContact CB-CB 4.47Å; C535-R546 WeakPolarHBondContact O-CD 3.07Å; T544-R546 PolarHBondContact O-N 3.35Å; R546-T548 VanDerWaalsContact C-N 3.28Å; R546-T548 PolarHBondContact O-N 2.8Å
547	C	93.8	Very high	85	Confident	11 Å²	11	50.6 Å²	50.6	7%	0.074	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	27.6	173.6	-146	0	0	0	0	113.7	L524 G526 C532 C535 E553	L524-C547 PolarHBondContact O-SG 3.37Å; G526-C547 PolarHBondContact N-O 3.42Å; C532-C547 WeakPolarHBondContact CA-SG 3.3Å; C532-C547 HydrophobicContact CB-CB 3.48Å; C532-C547 VanDerWaalsContact CB-CB 3.48Å; C532-C547 WeakPolarHBondContact CB-SG 3.12Å; C532-C547 WeakPolarHBondContact SG-CB 3.49Å; C532-C547 CovalentContact SG-SG 2.03Å; C532-C547 PolarHBondContact SG-SG 3.48Å; C535-C547 HydrophobicContact CB-CB 4.11Å; C535-C547 PolarHBondContact SG-SG 2.9Å; C547-E553 PolarHBondContact N-OE2 2.71Å
548	T	94.3	Very high	85.3	Confident	33 Å²	33	51.1 Å²	51.1	20%	0.202	28%	0.281	C	S	.	.			trans	-69.1	140.1	176	52.4	0	0	0	0	111	P525 K545 R546 N550 E553	P525-T548 WeakPolarHBondContact CB-O 3.49Å; K545-T548 HydrophobicContact CB-CG2 3.78Å; R546-T548 VanDerWaalsContact C-N 3.28Å; R546-T548 PolarHBondContact O-N 2.8Å; T548-N550 PolarHBondContact O-N 2.98Å; T548-E553 WeakPolarHBondContact O-CB 3.41Å; T548-E553 WeakPolarHBondContact OG1-CB 3.2Å; T548-E553 PolarHBondContact OG1-N 3.19Å
549	D	94.2	Very high	85.8	Confident	13 Å²	13	51.2 Å²	51.2	7%	0.07	28%	0.28	C	S	.	.	S	Bend	trans	-79.4	48.1	-176.2	-159.6	14.4	0	0	0	112.7	R399	R399-D549 IonicContact CZ-OD2 2.95Å; R399-D549 IonicContact NE-OD2 2.74Å; R399-D549 IonicContact NH2-OD2 3.62Å; R399-D549 PolarHBondContact NH2-OD2 3.16Å
550	N	94.5	Very high	86.9	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.048	25%	0.249	C	C	.	.	S	Bend	trans	-167	171.6	177.2	55.7	63.7	0	0	0	112	I370 V396 T548 N552 E553 Y556	I370-N550 HydrophobicContact CB-CB 4.1Å; I370-N550 HydrophobicContact CD1-CB 4.01Å; I370-N550 HydrophobicContact CG1-CB 4.13Å; I370-N550 WeakPolarHBondContact O-CB 3.39Å; I370-N550 VanDerWaalsContact O-CG 3.23Å; I370-N550 PolarHBondContact O-ND2 3Å; V396-N550 PolarHBondContact O-ND2 3.11Å; T548-N550 PolarHBondContact O-N 2.98Å; N550-N552 PolarHBondContact O-N 3.12Å; N550-N552 WeakPolarHBondContact OD1-CB 3.26Å; N550-N552 PolarHBondContact OD1-N 3.05Å; N550-N552 PolarHBondContact OD1-ND2 2.6Å; N550-E553 PolarHBondContact O-N 2.9Å; N550-Y556 VanDerWaalsContact CA-CD2 3.47Å; N550-Y556 VanDerWaalsContact CA-CE2 3.46Å; N550-Y556 VanDerWaalsContact N-CE2 3.26Å; N550-Y556 VanDerWaalsContact O-CB 3.27Å; N550-Y556 WeakPolarHBondContact O-CB 3.44Å
551	H	92.8	Very high	87.8	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.093	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-2	179.8	-64	-86.7	0	0	0	116	E553 Y556 E673 S674 L676	H551-E553 PolarHBondContact O-N 2.82Å; H551-Y556 HydrophobicContact CB-CD1 4.39Å; H551-Y556 AromaticContact CD2-CD1 3.83Å; H551-Y556 AromaticContact CD2-CE1 3.72Å; H551-Y556 AromaticContact CE1-CD1 3.78Å; H551-Y556 AromaticContact CE1-CE1 3.95Å; H551-Y556 AromaticContact CG-CD1 3.71Å; H551-Y556 AromaticContact ND1-CD1 3.68Å; H551-Y556 AromaticContact NE2-CD1 3.84Å; H551-Y556 AromaticContact NE2-CE1 3.59Å; H551-E673 HydrophobicContact CB-CG 4.43Å; H551-S674 PolarHBondContact CE1-O 2.99Å; H551-L676 HydrophobicContact CB-CD2 4.47Å
552	N	92.2	Very high	89.3	Confident	34 Å²	34	34 Å²	34	18%	0.182	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.2	167.2	-52.7	-46.4	0	0	0	111.3	H372 G538 A542 N550	H372-N552 PolarHBondContact CD2-OD1 3.09Å; H372-N552 PolarHBondContact N-OD1 2.91Å; H372-N552 VanDerWaalsContact N-OD1 3.14Å; G538-N552 WeakPolarHBondContact CA-O 3.49Å; G538-N552 PolarHBondContact N-O 3.41Å; A542-N552 HydrophobicContact CB-CB 4.36Å; N550-N552 PolarHBondContact O-N 3.12Å; N550-N552 WeakPolarHBondContact OD1-CB 3.26Å; N550-N552 PolarHBondContact OD1-N 3.05Å; N550-N552 PolarHBondContact OD1-ND2 2.6Å
553	E	93.3	Very high	90.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.17	C	C	.	.	S	Bend	trans	-83.6	122.9	163.8	168.7	60	-113.1	0	0	109	P525 C535 M536 G537 C547 T548 N550 H551 Y555 Y556	P525-E553 HydrophobicContact CG-CG 4.24Å; C535-E553 WeakPolarHBondContact CB-OE2 3.43Å; M536-E553 PolarHBondContact N-OE1 2.76Å; G537-E553 VanDerWaalsContact CA-OE2 3.25Å; G537-E553 WeakPolarHBondContact CA-OE2 3.43Å; G537-E553 VanDerWaalsContact N-CD 3.27Å; G537-E553 PolarHBondContact N-OE1 2.99Å; G537-E553 PolarHBondContact N-OE2 2.9Å; C547-E553 PolarHBondContact N-OE2 2.71Å; T548-E553 WeakPolarHBondContact O-CB 3.41Å; T548-E553 WeakPolarHBondContact OG1-CB 3.2Å; T548-E553 PolarHBondContact OG1-N 3.19Å; N550-E553 PolarHBondContact O-N 2.9Å; H551-E553 PolarHBondContact O-N 2.82Å; E553-Y555 PolarHBondContact O-N 3.13Å; E553-Y555 VanDerWaalsContact O-N 3.12Å; E553-Y555 PolarHBondContact OE1-N 3.33Å; E553-Y556 WeakPolarHBondContact O-CB 3.45Å; E553-Y556 PolarHBondContact O-N 3.33Å
554	R	91.8	Very high	92	Very high	71 Å²	71	31.8 Å²	31.8	27%	0.268	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.6	-177.5	-73.1	-175.7	-75.7	-176.2	-6.3	113.9	M536 G537 G560 R563 W597	M536-R554 PolarHBondContact SD-NH2 2.98Å; G537-R554 PolarHBondContact O-NE 3.37Å; G537-R554 VanDerWaalsContact O-NE 3.11Å; R554-G560 VanDerWaalsContact O-CA 3.3Å; R554-G560 WeakPolarHBondContact O-CA 3.47Å; R554-R563 WeakPolarHBondContact O-CD 3.29Å; R554-R563 PolarHBondContact O-NH1 2.85Å; R554-W597 HydrophobicContact CB-CH2 4.31Å
555	Y	93.9	Very high	93.2	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	15.8	174.7	-68.6	-10.7	0	0	0	114.2	C523 V534 M536 E553 G560 R563 C564 G567 Y574 W597	C523-Y555 HydrophobicContact CB-CD2 4.24Å; C523-Y555 VanDerWaalsContact SG-CB 3.55Å; V534-Y555 WeakPolarHBondContact O-CD2 3.24Å; V534-Y555 VanDerWaalsContact O-CE2 3.28Å; V534-Y555 WeakPolarHBondContact O-CE2 3.41Å; M536-Y555 HydrophobicContact CB-CD2 4.32Å; M536-Y555 HydrophobicContact CB-CE2 4.22Å; M536-Y555 HydrophobicContact CE-CE1 3.56Å; M536-Y555 HydrophobicContact CE-CE2 4.05Å; M536-Y555 WeakPolarHBondContact CE-OH 3.45Å; E553-Y555 PolarHBondContact O-N 3.13Å; E553-Y555 VanDerWaalsContact O-N 3.12Å; E553-Y555 PolarHBondContact OE1-N 3.33Å; Y555-G560 VanDerWaalsContact C-CA 3.42Å; Y555-G560 VanDerWaalsContact CA-CA 3.49Å; Y555-G560 WeakPolarHBondContact CA-O 3.28Å; Y555-G560 CarbonylContact O-C 3.47Å; Y555-R563 HydrophobicContact CD1-CB 3.78Å; Y555-R563 VanDerWaalsContact CE1-C 3.48Å; Y555-R563 HydrophobicContact CE1-CB 3.65Å; Y555-C564 HydrophobicContact CD1-CB 3.96Å; Y555-C564 HydrophobicContact CD2-CB 3.57Å; Y555-C564 HydrophobicContact CE1-CB 4.16Å; Y555-C564 HydrophobicContact CE2-CB 3.82Å; Y555-C564 HydrophobicContact CG-CB 3.66Å; Y555-G567 PolarHBondContact OH-O 3.39Å; Y555-Y574 HydrophobicContact CE2-CD2 4.35Å; Y555-Y574 WeakPolarHBondContact OH-CD2 3.37Å; Y555-W597 AromaticContact CE1-CZ2 3.94Å; Y555-W597 HydrophobicContact CE1-CZ2 3.94Å
556	Y	95.4	Very high	93.7	Very high	7 Å²	7	19.9 Å²	19.9	3%	0.027	9%	0.09	C	C	.	.			trans	-84.6	145.2	174.1	-178.4	-84.8	0	0	0	113.8	I370 H484 P525 N550 H551 E553 G560	I370-Y556 HydrophobicContact CD1-CE1 4.07Å; I370-Y556 WeakPolarHBondContact CD1-OH 3.33Å; H484-Y556 HydrophobicContact CB-CD2 3.83Å; H484-Y556 HydrophobicContact CB-CE2 3.32Å; H484-Y556 AromaticContact CG-CE2 3.94Å; H484-Y556 AromaticContact CG-CZ 3.99Å; P525-Y556 HydrophobicContact CB-CD2 3.68Å; P525-Y556 HydrophobicContact CB-CE2 4.5Å; P525-Y556 HydrophobicContact CG-CD2 4.21Å; N550-Y556 VanDerWaalsContact CA-CD2 3.47Å; N550-Y556 VanDerWaalsContact CA-CE2 3.46Å; N550-Y556 VanDerWaalsContact N-CE2 3.26Å; N550-Y556 VanDerWaalsContact O-CB 3.27Å; N550-Y556 WeakPolarHBondContact O-CB 3.44Å; H551-Y556 HydrophobicContact CB-CD1 4.39Å; H551-Y556 AromaticContact CD2-CD1 3.83Å; H551-Y556 AromaticContact CD2-CE1 3.72Å; H551-Y556 AromaticContact CE1-CD1 3.78Å; H551-Y556 AromaticContact CE1-CE1 3.95Å; H551-Y556 AromaticContact CG-CD1 3.71Å; H551-Y556 AromaticContact ND1-CD1 3.68Å; H551-Y556 AromaticContact NE2-CD1 3.84Å; H551-Y556 AromaticContact NE2-CE1 3.59Å; E553-Y556 WeakPolarHBondContact O-CB 3.45Å; E553-Y556 PolarHBondContact O-N 3.33Å; Y556-G560 VanDerWaalsContact O-CA 3.3Å; Y556-G560 WeakPolarHBondContact O-CA 3.45Å; Y556-G560 PolarHBondContact O-N 3.19Å
557	G	95.4	Very high	93.5	Very high	7 Å²	7	12.2 Å²	12.2	7%	0.072	6%	0.062	C	C	.	.	H	α-helix	trans	73.6	-171.9	176.4	0	0	0	0	0	113.6	G483 G560 A561	G483-G557 PolarHBondContact O-N 3.34Å; G557-G560 PolarHBondContact O-N 3.34Å; G557-A561 WeakPolarHBondContact O-CB 3.48Å; G557-A561 PolarHBondContact O-N 3.31Å
558	N	94.7	Very high	92.7	Very high	11 Å²	11	12.9 Å²	12.9	6%	0.059	7%	0.065	C	C	.	.	H	α-helix	trans	-60.3	-49.1	-179	-83	-6.4	0	0	0	112.5	G560 A561 L562 E581 H583 N584	N558-G560 VanDerWaalsContact C-N 3.32Å; N558-G560 PolarHBondContact O-N 2.69Å; N558-A561 PolarHBondContact O-N 2.84Å; N558-L562 PolarHBondContact O-N 2.86Å; N558-L562 VanDerWaalsContact O-N 3.13Å; N558-E581 WeakPolarHBondContact ND2-CB 3.47Å; N558-E581 PolarHBondContact OD1-N 2.85Å; N558-H583 PolarHBondContact ND2-CE1 3.12Å; N558-N584 PolarHBondContact ND2-OD1 3Å; N558-N584 VanDerWaalsContact ND2-OD1 3.09Å
559	M	93.6	Very high	91.7	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.03	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-44.5	176.3	178.8	62.3	79.1	0	0	111.3	L562 R563 N588 A591 L592 S674	M559-L562 PolarHBondContact O-N 3.41Å; M559-R563 WeakPolarHBondContact O-CG 3.29Å; M559-R563 PolarHBondContact O-N 3.29Å; M559-N588 HydrophobicContact CE-CB 3.67Å; M559-N588 VanDerWaalsContact CE-CG 3.41Å; M559-N588 WeakPolarHBondContact CE-OD1 3.33Å; M559-N588 HydrophobicContact SD-CB 4.02Å; M559-A591 HydrophobicContact CE-CB 4.04Å; M559-L592 HydrophobicContact SD-CD1 4.43Å; M559-L592 HydrophobicContact SD-CD2 3.61Å; M559-L592 HydrophobicContact SD-CG 3.86Å; M559-S674 WeakPolarHBondContact CB-OG 3.48Å
560	G	93.8	Very high	90.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-40.9	-179.5	0	0	0	0	0	114	R554 Y555 Y556 G557 N558 L562 R563 C564	R554-G560 VanDerWaalsContact O-CA 3.3Å; R554-G560 WeakPolarHBondContact O-CA 3.47Å; Y555-G560 VanDerWaalsContact C-CA 3.42Å; Y555-G560 VanDerWaalsContact CA-CA 3.49Å; Y555-G560 WeakPolarHBondContact CA-O 3.28Å; Y555-G560 CarbonylContact O-C 3.47Å; Y556-G560 VanDerWaalsContact O-CA 3.3Å; Y556-G560 WeakPolarHBondContact O-CA 3.45Å; Y556-G560 PolarHBondContact O-N 3.19Å; G557-G560 PolarHBondContact O-N 3.34Å; N558-G560 VanDerWaalsContact C-N 3.32Å; N558-G560 PolarHBondContact O-N 2.69Å; G560-L562 VanDerWaalsContact C-N 3.29Å; G560-L562 PolarHBondContact O-N 3.26Å; G560-R563 WeakPolarHBondContact O-CB 3.43Å; G560-R563 PolarHBondContact O-N 3.49Å; G560-C564 WeakPolarHBondContact O-CB 3.26Å; G560-C564 PolarHBondContact O-N 2.95Å
561	A	95.6	Very high	89.4	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-38.8	174.7	0	0	0	0	0	111.7	C481 G557 N558 C564 L565	C481-A561 WeakPolarHBondContact CB-O 3.37Å; G557-A561 WeakPolarHBondContact O-CB 3.48Å; G557-A561 PolarHBondContact O-N 3.31Å; N558-A561 PolarHBondContact O-N 2.84Å; A561-C564 WeakPolarHBondContact O-CB 3.37Å; A561-C564 PolarHBondContact O-N 2.9Å; A561-L565 PolarHBondContact O-N 3.19Å; A561-L565 VanDerWaalsContact O-N 3.1Å
562	L	94.8	Very high	88.6	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-46.7	173.1	-177.4	63.8	0	0	0	111.4	N558 M559 G560 C564 L565 V566 L580 L585 N588 I589 L592 F606	N558-L562 PolarHBondContact O-N 2.86Å; N558-L562 VanDerWaalsContact O-N 3.13Å; M559-L562 PolarHBondContact O-N 3.41Å; G560-L562 VanDerWaalsContact C-N 3.29Å; G560-L562 PolarHBondContact O-N 3.26Å; L562-C564 PolarHBondContact O-N 2.6Å; L562-L565 WeakPolarHBondContact O-CB 3.44Å; L562-L565 PolarHBondContact O-N 3.28Å; L562-L565 VanDerWaalsContact O-N 3.11Å; L562-V566 HydrophobicContact CD1-CG2 4.25Å; L562-V566 HydrophobicContact CG-CG2 4.43Å; L562-V566 WeakPolarHBondContact O-CG2 3.35Å; L562-V566 PolarHBondContact O-N 3.22Å; L562-L580 HydrophobicContact CB-CD2 4.37Å; L562-L585 HydrophobicContact CD1-CD1 4.19Å; L562-L585 HydrophobicContact CD2-CD1 4.4Å; L562-N588 HydrophobicContact CD2-CB 3.82Å; L562-I589 HydrophobicContact CD1-CG1 4.35Å; L562-I589 HydrophobicContact CD2-CG1 3.77Å; L562-L592 HydrophobicContact CB-CD1 4.43Å; L562-L592 HydrophobicContact CD2-CD1 3.56Å; L562-L592 HydrophobicContact CD2-CG 4.46Å; L562-L592 HydrophobicContact CG-CD1 3.65Å; L562-F606 HydrophobicContact CD1-CE1 4.19Å; L562-F606 HydrophobicContact CD1-CZ 4.34Å
563	R	93.2	Very high	87.6	Confident	19 Å²	19	27.3 Å²	27.3	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-55.8	-40.5	173.7	-70.9	173.5	-179.2	162.9	0.2	111.7	R554 Y555 M559 G560 V566 G567 L592 W597 G672 E673	R554-R563 WeakPolarHBondContact O-CD 3.29Å; R554-R563 PolarHBondContact O-NH1 2.85Å; Y555-R563 HydrophobicContact CD1-CB 3.78Å; Y555-R563 VanDerWaalsContact CE1-C 3.48Å; Y555-R563 HydrophobicContact CE1-CB 3.65Å; M559-R563 WeakPolarHBondContact O-CG 3.29Å; M559-R563 PolarHBondContact O-N 3.29Å; G560-R563 WeakPolarHBondContact O-CB 3.43Å; G560-R563 PolarHBondContact O-N 3.49Å; R563-V566 PolarHBondContact O-N 3.16Å; R563-G567 CarbonylContact O-C 3.5Å; R563-G567 PolarHBondContact O-N 3.35Å; R563-L592 HydrophobicContact CG-CD1 4.29Å; R563-L592 HydrophobicContact CG-CD2 3.47Å; R563-L592 VanDerWaalsContact CG-CD2 3.47Å; R563-W597 HydrophobicContact CB-CZ2 4.08Å; R563-W597 HydrophobicContact CG-CD2 4.21Å; R563-W597 HydrophobicContact CG-CG 4.35Å; R563-W597 HydrophobicContact CG-CZ2 4.27Å; R563-G672 PolarHBondContact NH2-O 2.94Å; R563-E673 IonicContact CZ-OE1 3.79Å; R563-E673 IonicContact CZ-OE2 3.29Å; R563-E673 VanDerWaalsContact NH1-CD 3.3Å; R563-E673 IonicContact NH1-OE1 2.79Å; R563-E673 PolarHBondContact NH1-OE1 3.31Å; R563-E673 IonicContact NH1-OE2 3.48Å; R563-E673 PolarHBondContact NH1-OE2 3.36Å; R563-E673 VanDerWaalsContact NH1-OE2 3.12Å; R563-E673 IonicContact NH2-OE1 3.54Å; R563-E673 PolarHBondContact NH2-OE1 3.25Å; R563-E673 IonicContact NH2-OE2 2.9Å
564	C	94.4	Very high	87	Confident	1 Å²	1	29 Å²	29	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-41.1	176.9	172	0	0	0	0	112.8	C481 Y555 G560 A561 L562 G575	C481-C564 HydrophobicContact CB-CB 3.54Å; C481-C564 WeakPolarHBondContact CB-SG 3.27Å; C481-C564 WeakPolarHBondContact SG-CB 3.4Å; C481-C564 CovalentContact SG-SG 2.03Å; C481-C564 PolarHBondContact SG-SG 2.71Å; Y555-C564 HydrophobicContact CD1-CB 3.96Å; Y555-C564 HydrophobicContact CD2-CB 3.57Å; Y555-C564 HydrophobicContact CE1-CB 4.16Å; Y555-C564 HydrophobicContact CE2-CB 3.82Å; Y555-C564 HydrophobicContact CG-CB 3.66Å; G560-C564 WeakPolarHBondContact O-CB 3.26Å; G560-C564 PolarHBondContact O-N 2.95Å; A561-C564 WeakPolarHBondContact O-CB 3.37Å; A561-C564 PolarHBondContact O-N 2.9Å; L562-C564 PolarHBondContact O-N 2.6Å; C564-G575 PolarHBondContact O-N 3.39Å; C564-G575 VanDerWaalsContact O-N 3.1Å
565	L	94.4	Very high	86.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-50.2	175.8	-179.3	62.4	0	0	0	110.7	V462 K464 C481 A561 L562 A578 F606	V462-L565 HydrophobicContact CB-CD2 4.31Å; V462-L565 HydrophobicContact CG1-CD2 3.97Å; K464-L565 WeakPolarHBondContact CE-O 3.37Å; K464-L565 HydrophobicContact CG-CD1 4.42Å; K464-L565 HydrophobicContact CG-CG 4.38Å; K464-L565 PolarHBondContact NZ-O 2.94Å; C481-L565 PolarHBondContact SG-N 3.25Å; A561-L565 PolarHBondContact O-N 3.19Å; A561-L565 VanDerWaalsContact O-N 3.1Å; L562-L565 WeakPolarHBondContact O-CB 3.44Å; L562-L565 PolarHBondContact O-N 3.28Å; L562-L565 VanDerWaalsContact O-N 3.11Å; L565-A578 HydrophobicContact CB-CB 3.95Å; L565-A578 HydrophobicContact CD2-CB 4.09Å; L565-A578 HydrophobicContact CG-CB 4.47Å; L565-F606 HydrophobicContact CD2-CD1 3.94Å; L565-F606 HydrophobicContact CD2-CE1 3.94Å
566	V	91.4	Very high	86.9	Confident	10 Å²	10	26.7 Å²	26.7	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-49.8	-175.1	-179.2	0	0	0	0	110.6	K464 L562 R563 L592 A598 W601 F606	K464-V566 PolarHBondContact NZ-O 2.81Å; L562-V566 HydrophobicContact CD1-CG2 4.25Å; L562-V566 HydrophobicContact CG-CG2 4.43Å; L562-V566 WeakPolarHBondContact O-CG2 3.35Å; L562-V566 PolarHBondContact O-N 3.22Å; R563-V566 PolarHBondContact O-N 3.16Å; V566-L592 HydrophobicContact CG2-CD1 4.46Å; V566-A598 HydrophobicContact CG1-CB 3.4Å; V566-A598 VanDerWaalsContact CG1-CB 3.4Å; V566-W601 HydrophobicContact CG1-CD2 3.85Å; V566-W601 VanDerWaalsContact CG1-CE2 3.49Å; V566-W601 HydrophobicContact CG1-CG 3.97Å; V566-W601 HydrophobicContact CG1-CZ2 4.05Å; V566-F606 HydrophobicContact CG2-CE1 3.89Å; V566-F606 HydrophobicContact CG2-CZ 3.64Å
567	G	85.3	Confident	87	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.021	17%	0.165	C	C	.	.			trans	131.9	-172	179.9	0	0	0	0	0	112.9	Y555 R563 K572 W597	Y555-G567 PolarHBondContact OH-O 3.39Å; R563-G567 CarbonylContact O-C 3.5Å; R563-G567 PolarHBondContact O-N 3.35Å; G567-K572 CarbonylContact C-O 3.57Å; G567-K572 WeakPolarHBondContact CA-O 3.46Å; G567-W597 PolarHBondContact O-NE1 2.92Å
568	D	77.9	Confident	87.1	Confident	25 Å²	25	26 Å²	26	13%	0.134	16%	0.161	C	C	.	.			trans	-87.5	168.3	166.1	66.6	17.7	0	0	0	111.5	M536 S570 G571 K572 Y574	M536-D568 HydrophobicContact CE-CB 3.49Å; M536-D568 VanDerWaalsContact CE-CB 3.49Å; M536-D568 HydrophobicContact SD-CB 4.41Å; D568-S570 PolarHBondContact O-N 3.26Å; D568-S570 VanDerWaalsContact OD1-CA 3.31Å; D568-S570 WeakPolarHBondContact OD1-CA 3.46Å; D568-S570 VanDerWaalsContact OD1-CB 3.31Å; D568-S570 WeakPolarHBondContact OD1-CB 3.43Å; D568-S570 PolarHBondContact OD1-N 3.44Å; D568-S570 PolarHBondContact OD1-OG 3.05Å; D568-S570 PolarHBondContact OD2-OG 3.29Å; D568-G571 PolarHBondContact O-N 3.36Å; D568-G571 PolarHBondContact OD1-N 3.39Å; D568-K572 PolarHBondContact N-O 2.91Å; D568-K572 VanDerWaalsContact N-O 3.12Å; D568-K572 PolarHBondContact OD1-N 3.24Å; D568-K572 VanDerWaalsContact OD1-N 3.11Å; D568-Y574 HydrophobicContact CB-CE2 3.69Å; D568-Y574 VanDerWaalsContact CG-CE2 3.47Å; D568-Y574 VanDerWaalsContact OD2-CE2 3.28Å; D568-Y574 WeakPolarHBondContact OD2-CE2 3.24Å; D568-Y574 PolarHBondContact OD2-OH 2.89Å
569	P	73.3	Confident	87.2	Confident	84 Å²	84	25.5 Å²	25.5	55%	0.545	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.3	174.9	-25.5	35.6	0	0	0	114.8	G571 W597	P569-G571 VanDerWaalsContact C-N 3.26Å; P569-W597 HydrophobicContact CG-CD2 4.14Å; P569-W597 HydrophobicContact CG-CE3 4.13Å; P569-W597 HydrophobicContact CG-CZ3 4.42Å
570	S	73.4	Confident	87.3	Confident	96 Å²	96	25.3 Å²	25.3	67%	0.671	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	2.3	173.2	81.7	0	0	0	0	113.1	D568 K572	D568-S570 PolarHBondContact O-N 3.26Å; D568-S570 VanDerWaalsContact OD1-CA 3.31Å; D568-S570 WeakPolarHBondContact OD1-CA 3.46Å; D568-S570 VanDerWaalsContact OD1-CB 3.31Å; D568-S570 WeakPolarHBondContact OD1-CB 3.43Å; D568-S570 PolarHBondContact OD1-N 3.44Å; D568-S570 PolarHBondContact OD1-OG 3.05Å; D568-S570 PolarHBondContact OD2-OG 3.29Å; S570-K572 VanDerWaalsContact C-N 3.34Å
571	G	67.9	Low	87.5	Confident	70 Å²	70	25.7 Å²	25.7	72%	0.722	16%	0.16	S	C	*	.	S	Bend	trans	82.5	8.3	178.3	0	0	0	0	0	114	D568 P569 S573	D568-G571 PolarHBondContact O-N 3.36Å; D568-G571 PolarHBondContact OD1-N 3.39Å; P569-G571 VanDerWaalsContact C-N 3.26Å; G571-S573 PolarHBondContact O-N 2.85Å
572	K	75.9	Confident	87.4	Confident	126 Å²	126	27.3 Å²	27.3	55%	0.548	17%	0.167	S	C	.	.			trans	-83.7	117.5	178.9	-171.7	163.8	165.2	-166.5	0	109.8	G567 D568 S570 Y574	G567-K572 CarbonylContact C-O 3.57Å; G567-K572 WeakPolarHBondContact CA-O 3.46Å; D568-K572 PolarHBondContact N-O 2.91Å; D568-K572 VanDerWaalsContact N-O 3.12Å; D568-K572 PolarHBondContact OD1-N 3.24Å; D568-K572 VanDerWaalsContact OD1-N 3.11Å; S570-K572 VanDerWaalsContact C-N 3.34Å; K572-Y574 HydrophobicContact CB-CE1 4.47Å; K572-Y574 HydrophobicContact CB-CE2 3.89Å; K572-Y574 HydrophobicContact CD-CE1 3.85Å; K572-Y574 VanDerWaalsContact CD-OH 3.32Å; K572-Y574 WeakPolarHBondContact CD-OH 3.38Å; K572-Y574 HydrophobicContact CG-CD1 4.47Å; K572-Y574 HydrophobicContact CG-CE1 3.79Å; K572-Y574 HydrophobicContact CG-CE2 4.07Å; K572-Y574 WeakPolarHBondContact O-CD2 3.47Å; K572-Y574 WeakPolarHBondContact O-CE2 3.4Å
573	S	69.6	Low	87.3	Confident	35 Å²	35	29.5 Å²	29.5	25%	0.245	18%	0.177	C	C	.	.			trans	-82	131.3	176.6	179.2	0	0	0	0	111.2	K464 R479 G571 G575	K464-S573 PolarHBondContact NZ-OG 3.16Å; R479-S573 PolarHBondContact NH1-O 3.08Å; G571-S573 PolarHBondContact O-N 2.85Å; S573-G575 PolarHBondContact OG-O 3.22Å
574	Y	80.6	Confident	87.3	Confident	37 Å²	37	29 Å²	29	15%	0.145	18%	0.176	C	C	.	.			trans	-113.7	-21.9	-171.9	-68.3	-72.6	0	0	0	114.7	R479 V534 Y555 D568 K572	R479-Y574 WeakPolarHBondContact CB-O 3.46Å; R479-Y574 WeakPolarHBondContact CD-O 3.49Å; V534-Y574 HydrophobicContact CB-CD1 4.25Å; V534-Y574 HydrophobicContact CG1-CD1 3.8Å; V534-Y574 HydrophobicContact CG1-CG 4.43Å; Y555-Y574 HydrophobicContact CE2-CD2 4.35Å; Y555-Y574 WeakPolarHBondContact OH-CD2 3.37Å; D568-Y574 HydrophobicContact CB-CE2 3.69Å; D568-Y574 VanDerWaalsContact CG-CE2 3.47Å; D568-Y574 VanDerWaalsContact OD2-CE2 3.28Å; D568-Y574 WeakPolarHBondContact OD2-CE2 3.24Å; D568-Y574 PolarHBondContact OD2-OH 2.89Å; K572-Y574 HydrophobicContact CB-CE1 4.47Å; K572-Y574 HydrophobicContact CB-CE2 3.89Å; K572-Y574 HydrophobicContact CD-CE1 3.85Å; K572-Y574 VanDerWaalsContact CD-OH 3.32Å; K572-Y574 WeakPolarHBondContact CD-OH 3.38Å; K572-Y574 HydrophobicContact CG-CD1 4.47Å; K572-Y574 HydrophobicContact CG-CE1 3.79Å; K572-Y574 HydrophobicContact CG-CE2 4.07Å; K572-Y574 WeakPolarHBondContact O-CD2 3.47Å; K572-Y574 WeakPolarHBondContact O-CE2 3.4Å
575	G	89.6	Confident	87.2	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.			trans	-124	154	172.9	0	0	0	0	0	113.5	C481 C564 S573	C481-G575 VanDerWaalsContact SG-CA 3.54Å; C564-G575 PolarHBondContact O-N 3.39Å; C564-G575 VanDerWaalsContact O-N 3.1Å; S573-G575 PolarHBondContact OG-O 3.22Å
576	D	94.9	Very high	87.2	Confident	23 Å²	23	31.4 Å²	31.4	12%	0.123	19%	0.19	C	C	.	.	S	Bend	trans	-103.1	-24.6	172.8	-53.4	-46.5	0	0	0	111.2	I470 R478 R479	I470-D576 HydrophobicContact CD1-CB 3.73Å; R478-D576 HydrophobicContact CB-CB 4.3Å; R479-D576 IonicContact CZ-OD1 3.9Å; R479-D576 PolarHBondContact N-OD2 2.93Å; R479-D576 IonicContact NE-OD1 2.65Å; R479-D576 PolarHBondContact NE-OD1 3.42Å; R479-D576 IonicContact NE-OD2 3.43Å; R479-D576 PolarHBondContact NE-OD2 3.01Å; R479-D576 IonicContact NH2-OD1 3.94Å; R479-D576 PolarHBondContact NH2-OD1 3.35Å; R479-D576 PolarHBondContact O-N 3.35Å
577	V	96.8	Very high	87.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.4	175.8	60.6	0	0	0	0	110.3	A461 V462 L475 R479 C481 F519 F579 L609	A461-V577 HydrophobicContact CB-CG2 4.36Å; V462-V577 CarbonylContact O-C 3.26Å; V462-V577 WeakPolarHBondContact O-CA 3.16Å; L475-V577 HydrophobicContact CD1-CG1 4.36Å; L475-V577 HydrophobicContact CD2-CB 4.45Å; L475-V577 HydrophobicContact CD2-CG1 4.24Å; R479-V577 PolarHBondContact O-N 2.94Å; C481-V577 PolarHBondContact N-O 2.79Å; F519-V577 HydrophobicContact CE1-CG1 4.05Å; V577-F579 HydrophobicContact CG1-CE2 4.02Å; V577-F579 HydrophobicContact CG1-CZ 4.25Å; V577-F579 HydrophobicContact CG2-CE1 4.31Å; V577-F579 HydrophobicContact CG2-CE2 4.29Å; V577-F579 HydrophobicContact CG2-CZ 4.03Å; V577-L609 HydrophobicContact CG2-CD1 3.84Å
578	A	97.7	Very high	87.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.9	169.9	0	0	0	0	0	112.1	A461 V462 C481 L565 L580	A461-A578 CarbonylContact C-O 3.3Å; A461-A578 WeakPolarHBondContact CA-O 3.41Å; V462-A578 PolarHBondContact N-O 3.06Å; V462-A578 PolarHBondContact O-N 3.19Å; C481-A578 HydrophobicContact CB-CB 3.92Å; C481-A578 CarbonylContact O-C 3.52Å; C481-A578 VanDerWaalsContact O-CA 3.29Å; C481-A578 WeakPolarHBondContact O-CA 3.49Å; L565-A578 HydrophobicContact CB-CB 3.95Å; L565-A578 HydrophobicContact CD2-CB 4.09Å; L565-A578 HydrophobicContact CG-CB 4.47Å; A578-L580 HydrophobicContact CB-CD2 4Å
579	F	97.9	Very high	88.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.9	174.2	-58.6	-78	0	0	0	109.1	A461 I472 L475 C481 H482 P494 L499 F519 V577 L626	A461-F579 HydrophobicContact CB-CD1 3.92Å; A461-F579 HydrophobicContact CB-CE1 3.83Å; I472-F579 HydrophobicContact CD1-CE1 4.5Å; L475-F579 HydrophobicContact CD1-CZ 3.93Å; C481-F579 PolarHBondContact O-N 2.95Å; H482-F579 AromaticContact CE1-CD2 3.7Å; H482-F579 AromaticContact CE1-CE2 3.91Å; H482-F579 AromaticContact ND1-CD2 3.68Å; P494-F579 HydrophobicContact CB-CD1 3.8Å; P494-F579 HydrophobicContact CB-CE1 3.81Å; P494-F579 HydrophobicContact CB-CG 4.27Å; P494-F579 HydrophobicContact CB-CZ 4.3Å; P494-F579 HydrophobicContact CG-CB 4Å; P494-F579 HydrophobicContact CG-CD1 3.56Å; P494-F579 HydrophobicContact CG-CE1 4.12Å; P494-F579 HydrophobicContact CG-CG 3.79Å; L499-F579 HydrophobicContact CD2-CZ 4.41Å; F519-F579 HydrophobicContact CE2-CE2 4.36Å; F519-F579 AromaticContact CZ-CE2 3.76Å; F519-F579 HydrophobicContact CZ-CE2 3.76Å; F519-F579 HydrophobicContact CZ-CZ 4.03Å; V577-F579 HydrophobicContact CG1-CE2 4.02Å; V577-F579 HydrophobicContact CG1-CZ 4.25Å; V577-F579 HydrophobicContact CG2-CE1 4.31Å; V577-F579 HydrophobicContact CG2-CE2 4.29Å; V577-F579 HydrophobicContact CG2-CZ 4.03Å; F579-L626 HydrophobicContact CD1-CD1 3.79Å; F579-L626 HydrophobicContact CE1-CD1 4.26Å
580	L	96	Very high	89	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	170.4	-170.6	55.3	88.4	0	0	0	110.5	V460 V462 L562 A578 L585	V460-L580 HydrophobicContact CG2-CD1 3.61Å; V460-L580 HydrophobicContact CG2-CG 4.35Å; V460-L580 WeakPolarHBondContact CG2-O 3.45Å; V460-L580 PolarHBondContact N-O 3.41Å; V460-L580 PolarHBondContact O-N 3.13Å; V460-L580 VanDerWaalsContact O-N 3.12Å; V462-L580 HydrophobicContact CG2-CD1 4Å; V462-L580 HydrophobicContact CG2-CD2 4.17Å; V462-L580 HydrophobicContact CG2-CG 4.12Å; L562-L580 HydrophobicContact CB-CD2 4.37Å; A578-L580 HydrophobicContact CB-CD2 4Å; L580-L585 HydrophobicContact CD1-CB 4.25Å; L580-L585 HydrophobicContact CD1-CD1 3.82Å; L580-L585 HydrophobicContact CD1-CD2 4.15Å; L580-L585 HydrophobicContact CD1-CG 4.28Å; L580-L585 HydrophobicContact CD2-CD1 4.24Å
581	E	96.1	Very high	89.8	Confident	9 Å²	9	30.9 Å²	30.9	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	149.2	174.3	-49.5	170.9	171.4	0	0	111.4	V458 A489 N558 H583 K679	V458-E581 WeakPolarHBondContact O-CA 3.25Å; A489-E581 HydrophobicContact CB-CB 4.46Å; A489-E581 HydrophobicContact CB-CG 3.54Å; N558-E581 WeakPolarHBondContact ND2-CB 3.47Å; N558-E581 PolarHBondContact OD1-N 2.85Å; E581-H583 IonicContact OE2-CE1 3.11Å; E581-H583 PolarHBondContact OE2-CE1 3.02Å; E581-H583 IonicContact OE2-ND1 3.07Å; E581-H583 PolarHBondContact OE2-ND1 3.44Å; E581-H583 VanDerWaalsContact OE2-ND1 3.14Å; E581-K679 IonicContact OE1-NZ 3.77Å; E581-K679 PolarHBondContact OE1-NZ 3Å; E581-K679 WeakPolarHBondContact OE2-CE 3.4Å; E581-K679 IonicContact OE2-NZ 3.25Å; E581-K679 PolarHBondContact OE2-NZ 2.98Å
582	H	95.1	Very high	90.7	Very high	33 Å²	33	27.8 Å²	27.8	15%	0.153	15%	0.146	C	C	.	.	S	Bend	trans	-70.9	-30.2	-174.8	171.6	-99.5	0	0	0	114.2	V458 V460 N584 L585 W621	V458-H582 HydrophobicContact CG2-CB 3.64Å; V458-H582 PolarHBondContact O-N 3.11Å; V460-H582 HydrophobicContact CG1-CB 4.1Å; V460-H582 HydrophobicContact CG2-CB 4.41Å; H582-N584 VanDerWaalsContact C-N 3.28Å; H582-N584 PolarHBondContact O-N 3.46Å; H582-L585 WeakPolarHBondContact O-CB 3.43Å; H582-L585 PolarHBondContact O-N 3.18Å; H582-W621 AromaticContact CD2-CD1 3.7Å; H582-W621 AromaticContact CD2-CG 3.56Å; H582-W621 AromaticContact CE1-CD1 3.21Å; H582-W621 AromaticContact CE1-CD2 3.62Å; H582-W621 AromaticContact CE1-CE2 3.39Å; H582-W621 AromaticContact CE1-CG 3.51Å; H582-W621 AromaticContact CE1-NE1 3.14Å; H582-W621 PolarHBondContact CE1-NE1 3.27Å; H582-W621 AromaticContact CG-CD2 3.97Å; H582-W621 AromaticContact CG-CG 3.76Å; H582-W621 AromaticContact ND1-CD1 3.88Å; H582-W621 AromaticContact ND1-CD2 3.56Å; H582-W621 AromaticContact ND1-CE2 3.65Å; H582-W621 AromaticContact ND1-CG 3.71Å; H582-W621 AromaticContact ND1-NE1 3.86Å; H582-W621 AromaticContact NE2-CD1 3.06Å; H582-W621 AromaticContact NE2-CG 3.42Å; H582-W621 AromaticContact NE2-NE1 3.5Å
583	H	92.4	Very high	91.1	Very high	48 Å²	48	24.9 Å²	24.9	22%	0.222	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.9	-161.3	68.6	-81.2	0	0	0	115.3	N558 E581 D675 A681	N558-H583 PolarHBondContact ND2-CE1 3.12Å; E581-H583 IonicContact OE2-CE1 3.11Å; E581-H583 PolarHBondContact OE2-CE1 3.02Å; E581-H583 IonicContact OE2-ND1 3.07Å; E581-H583 PolarHBondContact OE2-ND1 3.44Å; E581-H583 VanDerWaalsContact OE2-ND1 3.14Å; H583-D675 IonicContact CD2-OD1 3.02Å; H583-D675 IonicContact CE1-OD1 2.76Å; H583-D675 IonicContact NE2-OD1 2.76Å; H583-D675 PolarHBondContact NE2-OD1 3.23Å; H583-D675 IonicContact NE2-OD2 2.78Å; H583-A681 HydrophobicContact CB-CB 4.17Å
584	N	92	Very high	91.7	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.043	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	13.9	179.8	63.1	1.9	0	0	0	113.6	N558 H582 V586 T587 N588 S674 D675	N558-N584 PolarHBondContact ND2-OD1 3Å; N558-N584 VanDerWaalsContact ND2-OD1 3.09Å; H582-N584 VanDerWaalsContact C-N 3.28Å; H582-N584 PolarHBondContact O-N 3.46Å; N584-V586 PolarHBondContact O-N 3.36Å; N584-T587 PolarHBondContact O-N 3.13Å; N584-N588 PolarHBondContact ND2-ND2 3.41Å; N584-N588 WeakPolarHBondContact O-CB 3.07Å; N584-N588 PolarHBondContact O-N 2.94Å; N584-N588 PolarHBondContact O-ND2 3.01Å; N584-N588 PolarHBondContact OD1-ND2 2.86Å; N584-N588 VanDerWaalsContact OD1-ND2 3.15Å; N584-S674 PolarHBondContact ND2-OG 3.02Å; N584-D675 VanDerWaalsContact ND2-CG 3.33Å; N584-D675 PolarHBondContact ND2-OD1 2.98Å; N584-D675 PolarHBondContact ND2-OD2 2.98Å
585	L	93.7	Very high	91.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-50.7	-175.3	176.3	56.3	0	0	0	112.2	V462 L562 L580 H582 N588 I589 L618	V462-L585 HydrophobicContact CG2-CD2 3.89Å; L562-L585 HydrophobicContact CD1-CD1 4.19Å; L562-L585 HydrophobicContact CD2-CD1 4.4Å; L580-L585 HydrophobicContact CD1-CB 4.25Å; L580-L585 HydrophobicContact CD1-CD1 3.82Å; L580-L585 HydrophobicContact CD1-CD2 4.15Å; L580-L585 HydrophobicContact CD1-CG 4.28Å; L580-L585 HydrophobicContact CD2-CD1 4.24Å; H582-L585 WeakPolarHBondContact O-CB 3.43Å; H582-L585 PolarHBondContact O-N 3.18Å; L585-N588 PolarHBondContact O-N 2.87Å; L585-I589 HydrophobicContact CD1-CD1 4Å; L585-I589 HydrophobicContact CD1-CG1 4.31Å; L585-I589 HydrophobicContact CG-CD1 4.16Å; L585-I589 VanDerWaalsContact O-CG1 3.29Å; L585-I589 WeakPolarHBondContact O-CG1 3.28Å; L585-I589 PolarHBondContact O-N 3.06Å; L585-L618 HydrophobicContact CD2-CD1 3.96Å; L585-L618 HydrophobicContact CD2-CD2 3.87Å; L585-L618 HydrophobicContact CD2-CG 4.42Å; L585-L618 HydrophobicContact CG-CD1 4.29Å
586	V	92.9	Very high	91.5	Very high	49 Å²	49	31.9 Å²	31.9	30%	0.297	20%	0.197	S	C	.	.	H	α-helix	trans	-65.5	-45.6	-178.3	-179.9	0	0	0	0	111	N584 N588 I589 L590 Q603	N584-V586 PolarHBondContact O-N 3.36Å; V586-N588 VanDerWaalsContact C-N 3.3Å; V586-N588 PolarHBondContact O-N 3.31Å; V586-I589 PolarHBondContact O-N 2.99Å; V586-L590 WeakPolarHBondContact O-CG 3.27Å; V586-L590 PolarHBondContact O-N 2.92Å; V586-L590 VanDerWaalsContact O-N 3.13Å; V586-Q603 HydrophobicContact CG2-CG 4.35Å
587	T	91.8	Very high	91	Very high	71 Å²	71	32.3 Å²	32.3	44%	0.436	20%	0.197	S	C	.	.	H	α-helix	trans	-60.8	-40.2	177	-49.2	0	0	0	0	111.6	N584 L590 A591	N584-T587 PolarHBondContact O-N 3.13Å; T587-L590 PolarHBondContact O-N 3.48Å; T587-A591 WeakPolarHBondContact O-CB 3.28Å; T587-A591 PolarHBondContact O-N 3.3Å
588	N	92.8	Very high	90	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.011	20%	0.202	C	C	.	.	H	α-helix	trans	-68.1	-38.5	178.4	-73.4	-14.1	0	0	0	112.2	M559 L562 N584 L585 V586 L590 A591 L592	M559-N588 HydrophobicContact CE-CB 3.67Å; M559-N588 VanDerWaalsContact CE-CG 3.41Å; M559-N588 WeakPolarHBondContact CE-OD1 3.33Å; M559-N588 HydrophobicContact SD-CB 4.02Å; L562-N588 HydrophobicContact CD2-CB 3.82Å; N584-N588 PolarHBondContact ND2-ND2 3.41Å; N584-N588 WeakPolarHBondContact O-CB 3.07Å; N584-N588 PolarHBondContact O-N 2.94Å; N584-N588 PolarHBondContact O-ND2 3.01Å; N584-N588 PolarHBondContact OD1-ND2 2.86Å; N584-N588 VanDerWaalsContact OD1-ND2 3.15Å; L585-N588 PolarHBondContact O-N 2.87Å; V586-N588 VanDerWaalsContact C-N 3.3Å; V586-N588 PolarHBondContact O-N 3.31Å; N588-L590 VanDerWaalsContact C-N 3.31Å; N588-L590 PolarHBondContact O-N 3.49Å; N588-A591 PolarHBondContact O-N 2.89Å; N588-L592 WeakPolarHBondContact O-CG 3.27Å; N588-L592 PolarHBondContact O-N 3.2Å
589	I	92.4	Very high	89.1	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-45.9	173	-67.8	164.1	0	0	0	110.3	L562 L585 V586 A591 L592 N593 F606 L618	L562-I589 HydrophobicContact CD1-CG1 4.35Å; L562-I589 HydrophobicContact CD2-CG1 3.77Å; L585-I589 HydrophobicContact CD1-CD1 4Å; L585-I589 HydrophobicContact CD1-CG1 4.31Å; L585-I589 HydrophobicContact CG-CD1 4.16Å; L585-I589 VanDerWaalsContact O-CG1 3.29Å; L585-I589 WeakPolarHBondContact O-CG1 3.28Å; L585-I589 PolarHBondContact O-N 3.06Å; V586-I589 PolarHBondContact O-N 2.99Å; I589-A591 PolarHBondContact O-N 2.76Å; I589-L592 PolarHBondContact O-N 2.78Å; I589-N593 PolarHBondContact O-N 3.33Å; I589-F606 HydrophobicContact CD1-CD2 3.75Å; I589-F606 HydrophobicContact CD1-CE2 4.01Å; I589-F606 HydrophobicContact CD1-CG 4.47Å; I589-F606 HydrophobicContact CG1-CD2 4.33Å; I589-F606 HydrophobicContact CG1-CE2 4.07Å; I589-F606 HydrophobicContact CG2-CE2 4.17Å; I589-L618 HydrophobicContact CD1-CD1 3.78Å
590	L	90	Very high	88.3	Confident	112 Å²	112	47.3 Å²	47.3	59%	0.586	27%	0.269	S	S	*	.	H	α-helix	trans	-62.7	-42.5	177.1	-66.1	172.2	0	0	0	111.9	V586 T587 N588 L592 N593 S594	V586-L590 WeakPolarHBondContact O-CG 3.27Å; V586-L590 PolarHBondContact O-N 2.92Å; V586-L590 VanDerWaalsContact O-N 3.13Å; T587-L590 PolarHBondContact O-N 3.48Å; N588-L590 VanDerWaalsContact C-N 3.31Å; N588-L590 PolarHBondContact O-N 3.49Å; L590-L592 PolarHBondContact O-N 3.45Å; L590-N593 WeakPolarHBondContact O-CB 3.35Å; L590-N593 PolarHBondContact O-N 3.17Å; L590-S594 PolarHBondContact O-N 2.83Å; L590-S594 PolarHBondContact O-OG 3.38Å
591	A	88.9	Confident	87.9	Confident	19 Å²	19	50.2 Å²	50.2	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-34.5	179.2	0	0	0	0	0	113.1	M559 T587 N588 I589 N593 S594 S595	M559-A591 HydrophobicContact CE-CB 4.04Å; T587-A591 WeakPolarHBondContact O-CB 3.28Å; T587-A591 PolarHBondContact O-N 3.3Å; N588-A591 PolarHBondContact O-N 2.89Å; I589-A591 PolarHBondContact O-N 2.76Å; A591-N593 VanDerWaalsContact C-N 3.3Å; A591-N593 PolarHBondContact O-N 2.91Å; A591-S594 WeakPolarHBondContact CA-OG 3.38Å; A591-S594 PolarHBondContact O-N 2.04Å; A591-S594 PolarHBondContact O-OG 3.12Å; A591-S595 VanDerWaalsContact O-CB 3.24Å; A591-S595 WeakPolarHBondContact O-CB 3.25Å; A591-S595 PolarHBondContact O-N 3.23Å; A591-S595 PolarHBondContact O-OG 2.83Å
592	L	87.4	Confident	87.7	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-36.2	174.4	-71.5	-179.5	0	0	0	112.4	M559 L562 R563 V566 N588 I589 L590 S595 W597 A598	M559-L592 HydrophobicContact SD-CD1 4.43Å; M559-L592 HydrophobicContact SD-CD2 3.61Å; M559-L592 HydrophobicContact SD-CG 3.86Å; L562-L592 HydrophobicContact CB-CD1 4.43Å; L562-L592 HydrophobicContact CD2-CD1 3.56Å; L562-L592 HydrophobicContact CD2-CG 4.46Å; L562-L592 HydrophobicContact CG-CD1 3.65Å; R563-L592 HydrophobicContact CG-CD1 4.29Å; R563-L592 HydrophobicContact CG-CD2 3.47Å; R563-L592 VanDerWaalsContact CG-CD2 3.47Å; V566-L592 HydrophobicContact CG2-CD1 4.46Å; N588-L592 WeakPolarHBondContact O-CG 3.27Å; N588-L592 PolarHBondContact O-N 3.2Å; I589-L592 PolarHBondContact O-N 2.78Å; L590-L592 PolarHBondContact O-N 3.45Å; L592-S595 PolarHBondContact O-OG 3.01Å; L592-W597 HydrophobicContact CD2-CB 3.93Å; L592-W597 HydrophobicContact CD2-CG 3.88Å; L592-W597 PolarHBondContact O-N 2.94Å; L592-A598 PolarHBondContact O-N 3.46Å
593	N	83.5	Confident	87.5	Confident	65 Å²	65	54.9 Å²	54.9	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-69.2	-48.7	175.1	-167.1	-2.4	0	0	0	110.5	I589 L590 A591 S595 G596	I589-N593 PolarHBondContact O-N 3.33Å; L590-N593 WeakPolarHBondContact O-CB 3.35Å; L590-N593 PolarHBondContact O-N 3.17Å; A591-N593 VanDerWaalsContact C-N 3.3Å; A591-N593 PolarHBondContact O-N 2.91Å; N593-S595 VanDerWaalsContact C-N 3.33Å; N593-S595 PolarHBondContact O-N 3.28Å; N593-G596 PolarHBondContact O-N 3.31Å
594	S	84.1	Confident	87.5	Confident	104 Å²	104	56 Å²	56	73%	0.727	32%	0.319	S	S	*	.	H	α-helix	trans	-69.4	-26.1	-178.2	67.9	0	0	0	0	114.6	L590 A591 G596	L590-S594 PolarHBondContact O-N 2.83Å; L590-S594 PolarHBondContact O-OG 3.38Å; A591-S594 WeakPolarHBondContact CA-OG 3.38Å; A591-S594 PolarHBondContact O-N 2.04Å; A591-S594 PolarHBondContact O-OG 3.12Å; S594-G596 VanDerWaalsContact C-N 3.32Å
595	S	83.4	Confident	87.6	Confident	78 Å²	78	58.3 Å²	58.3	55%	0.545	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.6	177.5	58.2	0	0	0	0	114	A591 L592 N593 W597	A591-S595 VanDerWaalsContact O-CB 3.24Å; A591-S595 WeakPolarHBondContact O-CB 3.25Å; A591-S595 PolarHBondContact O-N 3.23Å; A591-S595 PolarHBondContact O-OG 2.83Å; L592-S595 PolarHBondContact O-OG 3.01Å; N593-S595 VanDerWaalsContact C-N 3.33Å; N593-S595 PolarHBondContact O-N 3.28Å; S595-W597 PolarHBondContact O-N 3.18Å
596	G	82	Confident	87.7	Confident	38 Å²	38	58.4 Å²	58.4	39%	0.392	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	12.9	-174	0	0	0	0	0	113.9	N593 S594	N593-G596 PolarHBondContact O-N 3.31Å; S594-G596 VanDerWaalsContact C-N 3.32Å
597	W	84.1	Confident	88	Confident	32 Å²	32	57.9 Å²	57.9	12%	0.121	33%	0.326	C	S	.	.	S	Bend	trans	-67.2	-43.6	174.9	-179.5	-82.7	0	0	0	111.2	M536 R554 Y555 R563 G567 P569 L592 S595	M536-W597 HydrophobicContact CE-CH2 3.87Å; M536-W597 HydrophobicContact CE-CZ2 3.75Å; M536-W597 HydrophobicContact SD-CH2 3.96Å; M536-W597 HydrophobicContact SD-CZ2 4.44Å; R554-W597 HydrophobicContact CB-CH2 4.31Å; Y555-W597 AromaticContact CE1-CZ2 3.94Å; Y555-W597 HydrophobicContact CE1-CZ2 3.94Å; R563-W597 HydrophobicContact CB-CZ2 4.08Å; R563-W597 HydrophobicContact CG-CD2 4.21Å; R563-W597 HydrophobicContact CG-CG 4.35Å; R563-W597 HydrophobicContact CG-CZ2 4.27Å; G567-W597 PolarHBondContact O-NE1 2.92Å; P569-W597 HydrophobicContact CG-CD2 4.14Å; P569-W597 HydrophobicContact CG-CE3 4.13Å; P569-W597 HydrophobicContact CG-CZ3 4.42Å; L592-W597 HydrophobicContact CD2-CB 3.93Å; L592-W597 HydrophobicContact CD2-CG 3.88Å; L592-W597 PolarHBondContact O-N 2.94Å; S595-W597 PolarHBondContact O-N 3.18Å
598	A	76.7	Confident	88.3	Confident	12 Å²	12	54.5 Å²	54.5	10%	0.099	31%	0.305	C	S	.	.	S	Bend	trans	-148.7	92.4	177.3	0	0	0	0	0	109.2	V566 L592 W601	V566-A598 HydrophobicContact CG1-CB 3.4Å; V566-A598 VanDerWaalsContact CG1-CB 3.4Å; L592-A598 PolarHBondContact O-N 3.46Å; A598-W601 HydrophobicContact CB-CG 4.44Å
599	E	77.8	Confident	88.5	Confident	136 Å²	136	54.5 Å²	54.5	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	150.3	175.5	-62.9	-179.4	176.7	0	0	110.3	W601	E599-W601 VanDerWaalsContact C-N 3.32Å; E599-W601 PolarHBondContact O-N 2.78Å
600	E	82.1	Confident	88.7	Confident	166 Å²	166	54.4 Å²	54.4	78%	0.776	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	2.3	172.5	-48.6	-176.3	161.7	0	0	117.5
601	W	86.9	Confident	88.7	Confident	63 Å²	63	51.5 Å²	51.5	24%	0.239	30%	0.297	C	S	.	.			trans	-80.9	131.8	173.4	-69	82	0	0	0	112.1	K464 V566 A598 E599 D605 F606	K464-W601 HydrophobicContact CD-CH2 3.71Å; K464-W601 HydrophobicContact CD-CZ3 4.2Å; K464-W601 VanDerWaalsContact CE-CH2 3.45Å; K464-W601 HydrophobicContact CG-CH2 4.06Å; K464-W601 HydrophobicContact CG-CZ3 4.02Å; V566-W601 HydrophobicContact CG1-CD2 3.85Å; V566-W601 VanDerWaalsContact CG1-CE2 3.49Å; V566-W601 HydrophobicContact CG1-CG 3.97Å; V566-W601 HydrophobicContact CG1-CZ2 4.05Å; A598-W601 HydrophobicContact CB-CG 4.44Å; E599-W601 VanDerWaalsContact C-N 3.32Å; E599-W601 PolarHBondContact O-N 2.78Å; W601-D605 HydrophobicContact CE3-CB 3.74Å; W601-D605 HydrophobicContact CZ3-CB 3.98Å; W601-F606 HydrophobicContact CB-CE2 4.34Å; W601-F606 HydrophobicContact CB-CZ 4.48Å; W601-F606 HydrophobicContact CD2-CZ 4.05Å; W601-F606 HydrophobicContact CE3-CE1 4Å; W601-F606 AromaticContact CE3-CE2 3.72Å; W601-F606 HydrophobicContact CE3-CE2 3.72Å; W601-F606 AromaticContact CE3-CZ 3.32Å; W601-F606 HydrophobicContact CE3-CZ 3.32Å; W601-F606 HydrophobicContact CZ3-CE1 4.15Å; W601-F606 AromaticContact CZ3-CZ 3.94Å; W601-F606 HydrophobicContact CZ3-CZ 3.94Å
602	T	91.1	Very high	88.7	Confident	58 Å²	58	56.3 Å²	56.3	36%	0.356	32%	0.32	S	S	.	.			trans	-123.9	167.4	177.9	73.1	0	0	0	0	111.4	S604 D605 F606	T602-S604 PolarHBondContact O-N 2.95Å; T602-S604 VanDerWaalsContact O-N 3.12Å; T602-S604 PolarHBondContact OG1-N 3.28Å; T602-S604 PolarHBondContact OG1-OG 3.26Å; T602-D605 WeakPolarHBondContact CA-OD2 3.32Å; T602-D605 WeakPolarHBondContact CB-OD2 3.49Å; T602-D605 PolarHBondContact N-OD2 2.97Å; T602-D605 WeakPolarHBondContact O-CB 3.43Å; T602-D605 PolarHBondContact O-N 2.92Å; T602-D605 VanDerWaalsContact O-N 3.14Å; T602-D605 PolarHBondContact OG1-OD2 2.88Å; T602-F606 VanDerWaalsContact O-CD2 3.26Å; T602-F606 WeakPolarHBondContact O-CD2 3.08Å; T602-F606 WeakPolarHBondContact O-CE2 3.21Å
603	Q	91.8	Very high	88.8	Confident	83 Å²	83	57.2 Å²	57.2	39%	0.388	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-55.3	-30.1	174.2	-169.7	-174.1	-7	0	0	112.5	V586 D605 F606 L618	V586-Q603 HydrophobicContact CG2-CG 4.35Å; Q603-D605 PolarHBondContact O-N 3.42Å; Q603-F606 PolarHBondContact O-N 2.78Å; Q603-L618 HydrophobicContact CG-CB 4.12Å; Q603-L618 HydrophobicContact CG-CD1 3.64Å; Q603-L618 HydrophobicContact CG-CG 4.27Å
604	S	93	Very high	89.3	Confident	71 Å²	71	58 Å²	58	50%	0.497	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-75.3	-10.8	-176.4	74.6	0	0	0	0	114.6	R465 T602 F606	R465-S604 WeakPolarHBondContact CD-O 3.22Å; R465-S604 PolarHBondContact NH1-O 2.88Å; T602-S604 PolarHBondContact O-N 2.95Å; T602-S604 VanDerWaalsContact O-N 3.12Å; T602-S604 PolarHBondContact OG1-N 3.28Å; T602-S604 PolarHBondContact OG1-OG 3.26Å; S604-F606 VanDerWaalsContact C-N 3.31Å
605	D	94	Very high	89.9	Confident	56 Å²	56	55.6 Å²	55.6	30%	0.299	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-87.8	-1.9	179.9	-60.8	-58.9	0	0	0	113.1	R465 W601 T602 Q603	R465-D605 WeakPolarHBondContact CB-O 3.27Å; R465-D605 PolarHBondContact N-O 2.87Å; W601-D605 HydrophobicContact CE3-CB 3.74Å; W601-D605 HydrophobicContact CZ3-CB 3.98Å; T602-D605 WeakPolarHBondContact CA-OD2 3.32Å; T602-D605 WeakPolarHBondContact CB-OD2 3.49Å; T602-D605 PolarHBondContact N-OD2 2.97Å; T602-D605 WeakPolarHBondContact O-CB 3.43Å; T602-D605 PolarHBondContact O-N 2.92Å; T602-D605 VanDerWaalsContact O-N 3.14Å; T602-D605 PolarHBondContact OG1-OD2 2.88Å; Q603-D605 PolarHBondContact O-N 3.42Å
606	F	96	Very high	90.6	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.022	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.8	-178.4	-57	-85.6	0	0	0	111.2	V462 A463 L562 L565 V566 I589 W601 T602 Q603 S604 L618	V462-F606 HydrophobicContact CG1-CB 3.9Å; V462-F606 HydrophobicContact CG1-CD1 3.97Å; V462-F606 HydrophobicContact CG1-CG 4.28Å; A463-F606 WeakPolarHBondContact O-CA 2.99Å; L562-F606 HydrophobicContact CD1-CE1 4.19Å; L562-F606 HydrophobicContact CD1-CZ 4.34Å; L565-F606 HydrophobicContact CD2-CD1 3.94Å; L565-F606 HydrophobicContact CD2-CE1 3.94Å; V566-F606 HydrophobicContact CG2-CE1 3.89Å; V566-F606 HydrophobicContact CG2-CZ 3.64Å; I589-F606 HydrophobicContact CD1-CD2 3.75Å; I589-F606 HydrophobicContact CD1-CE2 4.01Å; I589-F606 HydrophobicContact CD1-CG 4.47Å; I589-F606 HydrophobicContact CG1-CD2 4.33Å; I589-F606 HydrophobicContact CG1-CE2 4.07Å; I589-F606 HydrophobicContact CG2-CE2 4.17Å; W601-F606 HydrophobicContact CB-CE2 4.34Å; W601-F606 HydrophobicContact CB-CZ 4.48Å; W601-F606 HydrophobicContact CD2-CZ 4.05Å; W601-F606 HydrophobicContact CE3-CE1 4Å; W601-F606 AromaticContact CE3-CE2 3.72Å; W601-F606 HydrophobicContact CE3-CE2 3.72Å; W601-F606 AromaticContact CE3-CZ 3.32Å; W601-F606 HydrophobicContact CE3-CZ 3.32Å; W601-F606 HydrophobicContact CZ3-CE1 4.15Å; W601-F606 AromaticContact CZ3-CZ 3.94Å; W601-F606 HydrophobicContact CZ3-CZ 3.94Å; T602-F606 VanDerWaalsContact O-CD2 3.26Å; T602-F606 WeakPolarHBondContact O-CD2 3.08Å; T602-F606 WeakPolarHBondContact O-CE2 3.21Å; Q603-F606 PolarHBondContact O-N 2.78Å; S604-F606 VanDerWaalsContact C-N 3.31Å; F606-L618 HydrophobicContact CB-CD1 3.91Å; F606-L618 HydrophobicContact CB-CD2 4.16Å; F606-L618 HydrophobicContact CB-CG 4.25Å
607	E	97.5	Very high	91.3	Very high	37 Å²	37	52.2 Å²	52.2	17%	0.173	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.5	174.5	-69.2	178.8	160.2	0	0	109.2	A463 R465 R615 A616	A463-E607 PolarHBondContact N-O 2.72Å; A463-E607 PolarHBondContact O-N 3.37Å; R465-E607 HydrophobicContact CB-CG 4.17Å; R465-E607 WeakPolarHBondContact CD-OE1 3.36Å; R465-E607 HydrophobicContact CG-CG 4.04Å; R465-E607 WeakPolarHBondContact CG-OE1 3.41Å; R465-E607 IonicContact CZ-OE1 2.77Å; R465-E607 IonicContact NE-OE1 3.18Å; R465-E607 PolarHBondContact NE-OE1 2.95Å; R465-E607 IonicContact NH2-OE1 3.46Å; E607-R615 HydrophobicContact CB-CB 4.48Å; E607-R615 IonicContact OE2-CZ 3.28Å; E607-R615 IonicContact OE2-NE 3.97Å; E607-R615 PolarHBondContact OE2-NE 3.34Å; E607-R615 IonicContact OE2-NH1 2.65Å; E607-R615 PolarHBondContact OE2-NH1 3.13Å; E607-R615 IonicContact OE2-NH2 2.77Å; E607-A616 WeakPolarHBondContact CA-O 3.32Å
608	L	98	Very high	91.8	Very high	1 Å²	1	51 Å²	51	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	145.6	171.9	-57.7	178.8	0	0	0	109.7	V460 A461 V462 R615 A616 A617 L618 W621 C624	V460-L608 HydrophobicContact CB-CD2 4.05Å; V460-L608 HydrophobicContact CG1-CD2 4.28Å; V460-L608 HydrophobicContact CG2-CD2 4.39Å; A461-L608 CarbonylContact O-C 3.5Å; A461-L608 WeakPolarHBondContact O-CA 3.35Å; V462-L608 HydrophobicContact CG2-CD2 4.18Å; L608-R615 WeakPolarHBondContact O-CA 3.28Å; L608-A616 PolarHBondContact N-O 3.31Å; L608-A616 PolarHBondContact O-N 2.82Å; L608-A616 VanDerWaalsContact O-N 3.12Å; L608-A617 WeakPolarHBondContact CD1-O 3.24Å; L608-L618 HydrophobicContact CD2-CD2 3.44Å; L608-L618 VanDerWaalsContact CD2-CD2 3.44Å; L608-L618 HydrophobicContact CG-CD2 3.79Å; L608-W621 HydrophobicContact CD1-CB 3.88Å; L608-C624 HydrophobicContact CB-CB 4.44Å; L608-C624 WeakPolarHBondContact CB-SG 3.44Å; L608-C624 HydrophobicContact CD1-CB 4.25Å
609	L	97.6	Very high	92.7	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.6	171	-50.9	-176.1	0	0	0	108.9	A461 A463 I470 I472 V577 R615	A461-L609 HydrophobicContact CB-CB 3.96Å; A461-L609 HydrophobicContact CB-CG 4.46Å; A461-L609 PolarHBondContact O-N 3.28Å; A463-L609 HydrophobicContact CB-CD1 4Å; A463-L609 HydrophobicContact CB-CD2 3.95Å; A463-L609 HydrophobicContact CB-CG 4.08Å; I470-L609 HydrophobicContact CG2-CD1 3.83Å; I470-L609 WeakPolarHBondContact O-CD2 3.27Å; I472-L609 HydrophobicContact CD1-CB 4.1Å; I472-L609 HydrophobicContact CG1-CB 3.86Å; V577-L609 HydrophobicContact CG2-CD1 3.84Å; L609-R615 HydrophobicContact CD2-CG 3.9Å
610	C	95.8	Very high	93.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.014	29%	0.288	C	S	.	.			trans	-90.5	153.8	-173.7	-43.1	0	0	0	0	110.9	I472 D612 G613 H614 C624	I472-C610 WeakPolarHBondContact CB-O 3.31Å; I472-C610 WeakPolarHBondContact CG1-O 3.2Å; C610-D612 VanDerWaalsContact CB-OD1 3.28Å; C610-D612 WeakPolarHBondContact CB-OD1 3.43Å; C610-D612 PolarHBondContact O-N 3.42Å; C610-G613 PolarHBondContact O-N 3.22Å; C610-H614 VanDerWaalsContact CB-CE1 3.44Å; C610-H614 WeakPolarHBondContact CB-CE1 3.38Å; C610-H614 WeakPolarHBondContact CB-O 3.26Å; C610-H614 PolarHBondContact N-O 3.3Å; C610-H614 VanDerWaalsContact SG-CD2 3.5Å; C610-H614 PolarHBondContact SG-CE1 2.97Å; C610-H614 PolarHBondContact SG-NE2 3.22Å; C610-H614 PolarHBondContact SG-O 2.87Å; C610-C624 WeakPolarHBondContact CA-SG 3.34Å; C610-C624 HydrophobicContact CB-CB 4.06Å; C610-C624 WeakPolarHBondContact CB-SG 3.42Å; C610-C624 PolarHBondContact N-SG 3.28Å; C610-C624 WeakPolarHBondContact SG-CB 3.48Å; C610-C624 CovalentContact SG-SG 2.03Å; C610-C624 PolarHBondContact SG-SG 3.44Å
611	A	90	Very high	94.2	Very high	51 Å²	51	47.8 Å²	47.8	42%	0.421	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.7	-173.7	0	0	0	0	0	114.2	H497 G613	H497-A611 WeakPolarHBondContact ND1-CB 3.45Å; A611-G613 VanDerWaalsContact C-N 3.29Å
612	D	89.9	Confident	94.5	Very high	120 Å²	120	51.8 Å²	51.8	64%	0.642	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	1.3	175.8	64.5	-8.9	0	0	0	113.4	C610 H614	C610-D612 VanDerWaalsContact CB-OD1 3.28Å; C610-D612 WeakPolarHBondContact CB-OD1 3.43Å; C610-D612 PolarHBondContact O-N 3.42Å; D612-H614 IonicContact OD1-CE1 2.97Å; D612-H614 PolarHBondContact OD1-CE1 3.33Å; D612-H614 IonicContact OD1-CG 2.81Å; D612-H614 PolarHBondContact OD1-N 2.77Å; D612-H614 IonicContact OD1-ND1 2.78Å; D612-H614 PolarHBondContact OD1-ND1 2.91Å; D612-H614 IonicContact OD2-CE1 3.32Å; D612-H614 PolarHBondContact OD2-CE1 3.23Å; D612-H614 VanDerWaalsContact OD2-CE1 3.28Å; D612-H614 IonicContact OD2-CG 3.7Å; D612-H614 IonicContact OD2-ND1 3.55Å; D612-H614 PolarHBondContact OD2-ND1 2.92Å
613	G	89.8	Confident	94.6	Very high	23 Å²	23	53.3 Å²	53.3	24%	0.237	30%	0.299	C	S	.	.	S	Bend	trans	92.2	-1.7	175.3	0	0	0	0	0	115.6	F471 C610 A611	F471-G613 VanDerWaalsContact CB-O 3.28Å; F471-G613 WeakPolarHBondContact CB-O 3.39Å; C610-G613 PolarHBondContact O-N 3.22Å; A611-G613 VanDerWaalsContact C-N 3.29Å
614	H	94.3	Very high	94.9	Very high	81 Å²	81	49.5 Å²	49.5	38%	0.375	28%	0.281	S	S	.	.			trans	-80.2	172.3	170.9	80.8	-86.4	0	0	0	112	C610 D612	C610-H614 VanDerWaalsContact CB-CE1 3.44Å; C610-H614 WeakPolarHBondContact CB-CE1 3.38Å; C610-H614 WeakPolarHBondContact CB-O 3.26Å; C610-H614 PolarHBondContact N-O 3.3Å; C610-H614 VanDerWaalsContact SG-CD2 3.5Å; C610-H614 PolarHBondContact SG-CE1 2.97Å; C610-H614 PolarHBondContact SG-NE2 3.22Å; C610-H614 PolarHBondContact SG-O 2.87Å; D612-H614 IonicContact OD1-CE1 2.97Å; D612-H614 PolarHBondContact OD1-CE1 3.33Å; D612-H614 IonicContact OD1-CG 2.81Å; D612-H614 PolarHBondContact OD1-N 2.77Å; D612-H614 IonicContact OD1-ND1 2.78Å; D612-H614 PolarHBondContact OD1-ND1 2.91Å; D612-H614 IonicContact OD2-CE1 3.32Å; D612-H614 PolarHBondContact OD2-CE1 3.23Å; D612-H614 VanDerWaalsContact OD2-CE1 3.28Å; D612-H614 IonicContact OD2-CG 3.7Å; D612-H614 IonicContact OD2-ND1 3.55Å; D612-H614 PolarHBondContact OD2-ND1 2.92Å
615	R	96.8	Very high	95	Very high	53 Å²	53	48.2 Å²	48.2	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.6	174.5	-54.9	-177.2	79.6	-166.4	14	109.3	K464 E607 L608 L609	K464-R615 PolarHBondContact O-NH2 2.97Å; E607-R615 HydrophobicContact CB-CB 4.48Å; E607-R615 IonicContact OE2-CZ 3.28Å; E607-R615 IonicContact OE2-NE 3.97Å; E607-R615 PolarHBondContact OE2-NE 3.34Å; E607-R615 IonicContact OE2-NH1 2.65Å; E607-R615 PolarHBondContact OE2-NH1 3.13Å; E607-R615 IonicContact OE2-NH2 2.77Å; L608-R615 WeakPolarHBondContact O-CA 3.28Å; L609-R615 HydrophobicContact CD2-CG 3.9Å
616	A	96.8	Very high	95.1	Very high	6 Å²	6	45.8 Å²	45.8	5%	0.05	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	162.1	-178.5	0	0	0	0	0	111.5	E607 L608 E620 C624	E607-A616 WeakPolarHBondContact CA-O 3.32Å; L608-A616 PolarHBondContact N-O 3.31Å; L608-A616 PolarHBondContact O-N 2.82Å; L608-A616 VanDerWaalsContact O-N 3.12Å; A616-E620 HydrophobicContact CB-CB 3.96Å; A616-C624 HydrophobicContact CB-CB 3.88Å
617	A	96.6	Very high	95	Very high	40 Å²	40	46.2 Å²	46.2	33%	0.331	26%	0.262	S	S	.	.			trans	-66.9	156.3	172.2	0	0	0	0	0	110.8	L608 S619 E620	L608-A617 WeakPolarHBondContact CD1-O 3.24Å; A617-S619 PolarHBondContact O-N 2.98Å; A617-S619 VanDerWaalsContact O-N 3.1Å; A617-E620 HydrophobicContact CB-CG 4.47Å; A617-E620 WeakPolarHBondContact CB-OE1 3.27Å; A617-E620 PolarHBondContact N-OE1 3.28Å; A617-E620 VanDerWaalsContact N-OE1 3.16Å; A617-E620 PolarHBondContact O-N 3.33Å
618	L	96.1	Very high	94.9	Very high	5 Å²	5	48 Å²	48	3%	0.026	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-58.6	-25.7	178.6	-63.4	-169.7	0	0	0	113.4	V462 L585 I589 Q603 F606 L608 E620	V462-L618 HydrophobicContact CG1-CD2 4.41Å; L585-L618 HydrophobicContact CD2-CD1 3.96Å; L585-L618 HydrophobicContact CD2-CD2 3.87Å; L585-L618 HydrophobicContact CD2-CG 4.42Å; L585-L618 HydrophobicContact CG-CD1 4.29Å; I589-L618 HydrophobicContact CD1-CD1 3.78Å; Q603-L618 HydrophobicContact CG-CB 4.12Å; Q603-L618 HydrophobicContact CG-CD1 3.64Å; Q603-L618 HydrophobicContact CG-CG 4.27Å; F606-L618 HydrophobicContact CB-CD1 3.91Å; F606-L618 HydrophobicContact CB-CD2 4.16Å; F606-L618 HydrophobicContact CB-CG 4.25Å; L608-L618 HydrophobicContact CD2-CD2 3.44Å; L608-L618 VanDerWaalsContact CD2-CD2 3.44Å; L608-L618 HydrophobicContact CG-CD2 3.79Å; L618-E620 VanDerWaalsContact C-N 3.28Å; L618-E620 PolarHBondContact O-N 3.3Å
619	S	94.9	Very high	94.8	Very high	81 Å²	81	48 Å²	48	57%	0.566	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-71.5	-17.3	176.2	51.5	0	0	0	0	114.3	A617 W621	A617-S619 PolarHBondContact O-N 2.98Å; A617-S619 VanDerWaalsContact O-N 3.1Å; S619-W621 VanDerWaalsContact C-N 3.28Å; S619-W621 PolarHBondContact O-N 3.41Å
620	E	96	Very high	94.8	Very high	92 Å²	92	48.1 Å²	48.1	43%	0.43	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-93.7	17.9	-175.4	-64	175.8	-107.3	0	0	112.7	A616 A617 L618 E622 S623 C624	A616-E620 HydrophobicContact CB-CB 3.96Å; A617-E620 HydrophobicContact CB-CG 4.47Å; A617-E620 WeakPolarHBondContact CB-OE1 3.27Å; A617-E620 PolarHBondContact N-OE1 3.28Å; A617-E620 VanDerWaalsContact N-OE1 3.16Å; A617-E620 PolarHBondContact O-N 3.33Å; L618-E620 VanDerWaalsContact C-N 3.28Å; L618-E620 PolarHBondContact O-N 3.3Å; E620-E622 PolarHBondContact O-N 2.7Å; E620-E622 VanDerWaalsContact O-N 3.12Å; E620-S623 PolarHBondContact O-N 2.96Å; E620-S623 PolarHBondContact O-OG 3.38Å; E620-C624 PolarHBondContact O-N 2.96Å
621	W	94.6	Very high	94.7	Very high	74 Å²	74	48 Å²	48	28%	0.28	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.8	-176.5	63.3	-93.7	0	0	0	113.8	V458 H582 L608 S619 S623 C624 N625	V458-W621 HydrophobicContact CG1-CZ3 4.28Å; V458-W621 HydrophobicContact CG2-CE3 3.59Å; V458-W621 HydrophobicContact CG2-CZ3 3.96Å; H582-W621 AromaticContact CD2-CD1 3.7Å; H582-W621 AromaticContact CD2-CG 3.56Å; H582-W621 AromaticContact CE1-CD1 3.21Å; H582-W621 AromaticContact CE1-CD2 3.62Å; H582-W621 AromaticContact CE1-CE2 3.39Å; H582-W621 AromaticContact CE1-CG 3.51Å; H582-W621 AromaticContact CE1-NE1 3.14Å; H582-W621 PolarHBondContact CE1-NE1 3.27Å; H582-W621 AromaticContact CG-CD2 3.97Å; H582-W621 AromaticContact CG-CG 3.76Å; H582-W621 AromaticContact ND1-CD1 3.88Å; H582-W621 AromaticContact ND1-CD2 3.56Å; H582-W621 AromaticContact ND1-CE2 3.65Å; H582-W621 AromaticContact ND1-CG 3.71Å; H582-W621 AromaticContact ND1-NE1 3.86Å; H582-W621 AromaticContact NE2-CD1 3.06Å; H582-W621 AromaticContact NE2-CG 3.42Å; H582-W621 AromaticContact NE2-NE1 3.5Å; L608-W621 HydrophobicContact CD1-CB 3.88Å; S619-W621 VanDerWaalsContact C-N 3.28Å; S619-W621 PolarHBondContact O-N 3.41Å; W621-S623 VanDerWaalsContact C-N 3.26Å; W621-S623 PolarHBondContact O-N 2.89Å; W621-C624 CarbonylContact O-C 3.55Å; W621-C624 PolarHBondContact O-N 3.49Å; W621-N625 WeakPolarHBondContact O-CB 3.41Å; W621-N625 PolarHBondContact O-ND2 3.07Å
622	E	93.2	Very high	95.1	Very high	147 Å²	147	46.3 Å²	46.3	69%	0.687	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-38.8	177.5	-69.8	-175.9	168.1	0	0	111.7	E620 N625	E620-E622 PolarHBondContact O-N 2.7Å; E620-E622 VanDerWaalsContact O-N 3.12Å; E622-N625 PolarHBondContact O-ND2 3.01Å
623	S	94.9	Very high	95.4	Very high	91 Å²	91	40.6 Å²	40.6	64%	0.636	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-21.4	178.7	67.1	0	0	0	0	113.6	E620 W621	E620-S623 PolarHBondContact O-N 2.96Å; E620-S623 PolarHBondContact O-OG 3.38Å; W621-S623 VanDerWaalsContact C-N 3.26Å; W621-S623 PolarHBondContact O-N 2.89Å
624	C	96.8	Very high	95.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	22%	0.218	C	C	.	.	S	Bend	trans	-124.7	84.5	-177.8	-180	0	0	0	0	111	L608 C610 A616 E620 W621	L608-C624 HydrophobicContact CB-CB 4.44Å; L608-C624 WeakPolarHBondContact CB-SG 3.44Å; L608-C624 HydrophobicContact CD1-CB 4.25Å; C610-C624 WeakPolarHBondContact CA-SG 3.34Å; C610-C624 HydrophobicContact CB-CB 4.06Å; C610-C624 WeakPolarHBondContact CB-SG 3.42Å; C610-C624 PolarHBondContact N-SG 3.28Å; C610-C624 WeakPolarHBondContact SG-CB 3.48Å; C610-C624 CovalentContact SG-SG 2.03Å; C610-C624 PolarHBondContact SG-SG 3.44Å; A616-C624 HydrophobicContact CB-CB 3.88Å; E620-C624 PolarHBondContact O-N 2.96Å; W621-C624 CarbonylContact O-C 3.55Å; W621-C624 PolarHBondContact O-N 3.49Å
625	N	96.3	Very high	95.9	Very high	44 Å²	44	35.7 Å²	35.7	24%	0.235	20%	0.2	C	C	.	.			trans	-142.2	169.3	175.4	62.7	82.8	0	0	0	111.5	V458 G459 V460 W621 E622 G627	V458-N625 HydrophobicContact CB-CB 4.15Å; V458-N625 HydrophobicContact CG2-CB 4.32Å; G459-N625 WeakPolarHBondContact O-CB 3.24Å; V460-N625 HydrophobicContact CG1-CB 4.19Å; W621-N625 WeakPolarHBondContact O-CB 3.41Å; W621-N625 PolarHBondContact O-ND2 3.07Å; E622-N625 PolarHBondContact O-ND2 3.01Å; N625-G627 PolarHBondContact OD1-N 3.41Å; N625-G627 VanDerWaalsContact OD1-N 3.09Å
626	L	95.3	Very high	95.8	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	19%	0.19	C	C	.	.	S	Bend	trans	-92.2	-9.6	-179.8	-57.2	179.9	0	0	0	113.1	G459 A461 L493 P494 H497 F579	G459-L626 WeakPolarHBondContact O-CB 3.48Å; G459-L626 PolarHBondContact O-N 3.36Å; A461-L626 HydrophobicContact CB-CD1 4.07Å; A461-L626 HydrophobicContact CB-CD2 4.31Å; A461-L626 HydrophobicContact CB-CG 4.46Å; L493-L626 HydrophobicContact CB-CB 4.3Å; P494-L626 HydrophobicContact CB-CD1 4.45Å; P494-L626 HydrophobicContact CG-CD1 4.09Å; H497-L626 PolarHBondContact NE2-O 2.95Å; F579-L626 HydrophobicContact CD1-CD1 3.79Å; F579-L626 HydrophobicContact CE1-CD1 4.26Å
627	G	94.9	Very high	95.5	Very high	14 Å²	14	33.4 Å²	33.4	14%	0.144	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.6	172.6	-178.3	0	0	0	0	0	113.5	V458 G459 L493 N625	V458-G627 WeakPolarHBondContact CA-O 3.39Å; G459-G627 PolarHBondContact N-O 2.87Å; L493-G627 WeakPolarHBondContact CD1-O 3.46Å; N625-G627 PolarHBondContact OD1-N 3.41Å; N625-G627 VanDerWaalsContact OD1-N 3.09Å
628	V	94.9	Very high	95	Very high	75 Å²	75	33.5 Å²	33.5	46%	0.455	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.8	-177.2	-177.4	0	0	0	0	111
629	V	96.2	Very high	94.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	108.1	172.8	178.4	0	0	0	0	108.3	S456 A457 P488 A489 L493	S456-V629 WeakPolarHBondContact CB-O 2.94Å; A457-V629 HydrophobicContact CB-CB 4.21Å; A457-V629 PolarHBondContact N-O 2.7Å; A457-V629 PolarHBondContact O-N 3.39Å; P488-V629 HydrophobicContact CB-CB 4.43Å; P488-V629 HydrophobicContact CB-CG1 3.65Å; P488-V629 HydrophobicContact CB-CG2 4.04Å; P488-V629 HydrophobicContact CG-CG1 4.09Å; A489-V629 HydrophobicContact CB-CG2 4.24Å; L493-V629 HydrophobicContact CD1-CG2 3.58Å
630	P	96.2	Very high	93.9	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.026	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-56.1	151.1	175.3	-24.4	33.4	0	0	0	111.9	A417 L697 F701	A417-P630 HydrophobicContact CB-CB 3.89Å; A417-P630 HydrophobicContact CB-CG 3.97Å; P630-L697 HydrophobicContact CB-CD2 4.17Å; P630-L697 HydrophobicContact CG-CD2 4.34Å; P630-L697 WeakPolarHBondContact CG-O 3.47Å; P630-F701 VanDerWaalsContact CD-CD2 3.48Å; P630-F701 HydrophobicContact CG-CB 3.96Å; P630-F701 HydrophobicContact CG-CD1 4.14Å; P630-F701 HydrophobicContact CG-CD2 4.01Å; P630-F701 HydrophobicContact CG-CG 3.76Å
631	P	95.3	Very high	93.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-65.5	155.3	-179.5	24.7	-31.8	0	0	0	112.9	T433 E434 Y436 L454	T433-P631 HydrophobicContact CG2-CB 3.81Å; T433-P631 HydrophobicContact CG2-CG 3.54Å; E434-P631 WeakPolarHBondContact O-CB 3.45Å; Y436-P631 HydrophobicContact CD2-CB 4.17Å; Y436-P631 HydrophobicContact CE2-CB 3.58Å; L454-P631 HydrophobicContact CB-CG 3.95Å
632	N	97.2	Very high	92.8	Very high	15 Å²	15	22.5 Å²	22.5	8%	0.08	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-64	143.3	177.3	-73	5.4	0	0	0	110.9	L415 D416 T433 E434 Y436 K679	L415-N632 CarbonylContact O-C 3.6Å; L415-N632 WeakPolarHBondContact O-CA 3.24Å; L415-N632 WeakPolarHBondContact O-CB 3.47Å; D416-N632 WeakPolarHBondContact CA-OD1 3.49Å; T433-N632 WeakPolarHBondContact CG2-O 3.48Å; E434-N632 HydrophobicContact CB-CB 4.36Å; E434-N632 VanDerWaalsContact CD-CB 3.44Å; E434-N632 HydrophobicContact CG-CB 4.05Å; E434-N632 PolarHBondContact N-O 2.98Å; E434-N632 WeakPolarHBondContact OE1-CB 3.01Å; E434-N632 PolarHBondContact OE1-ND2 3Å; Y436-N632 PolarHBondContact OH-N 2.57Å; N632-K679 WeakPolarHBondContact OD1-CE 3.03Å
633	S	97	Very high	92.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.1	178.5	-62	0	0	0	0	111	L415 T433 M635 I696	L415-S633 PolarHBondContact N-O 3.05Å; L415-S633 PolarHBondContact O-N 3.15Å; T433-S633 PolarHBondContact OG1-OG 3.3Å; S633-M635 PolarHBondContact O-N 2.9Å; S633-I696 WeakPolarHBondContact OG-CG2 3.16Å
634	I	97.9	Very high	92.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116.3	174.8	-64.7	61.4	0	0	0	107.1	W367 A412 V413 V431 V432 E434 V644 L648 F678 F685	W367-I634 HydrophobicContact CH2-CG1 4.03Å; W367-I634 HydrophobicContact CH2-CG2 3.8Å; W367-I634 HydrophobicContact CZ3-CG2 4.19Å; A412-I634 HydrophobicContact CB-CG2 4.28Å; V413-I634 WeakPolarHBondContact O-CA 3.13Å; V431-I634 PolarHBondContact N-O 3.28Å; V432-I634 HydrophobicContact CG2-CB 3.96Å; V432-I634 HydrophobicContact CG2-CD1 3.81Å; V432-I634 HydrophobicContact CG2-CG1 3.9Å; V432-I634 PolarHBondContact O-N 2.63Å; E434-I634 HydrophobicContact CG-CD1 4.29Å; I634-V644 HydrophobicContact CG2-CG1 4.35Å; I634-L648 HydrophobicContact CB-CD1 4.24Å; I634-L648 HydrophobicContact CG1-CD1 4.23Å; I634-L648 HydrophobicContact CG2-CD1 3.83Å; I634-F678 HydrophobicContact CD1-CD1 4.48Å; I634-F678 HydrophobicContact CD1-CE1 4.21Å; I634-F678 HydrophobicContact CG1-CE1 4.08Å; I634-F685 HydrophobicContact CD1-CD1 4.19Å; I634-F685 HydrophobicContact CD1-CE1 3.88Å
635	M	97	Very high	91.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.4	-174.9	-59.1	-64.3	-77.4	0	0	110.6	V413 L415 T420 A423 L428 V429 P430 S633	V413-M635 PolarHBondContact N-O 3.41Å; V413-M635 PolarHBondContact O-N 3.28Å; L415-M635 HydrophobicContact CD1-CB 4.07Å; L415-M635 HydrophobicContact CD1-CG 3.83Å; L415-M635 HydrophobicContact CG-CG 4.35Å; T420-M635 HydrophobicContact CG2-CE 4.27Å; T420-M635 HydrophobicContact CG2-SD 3.95Å; A423-M635 HydrophobicContact CB-CB 4.35Å; A423-M635 HydrophobicContact CB-CE 3.92Å; A423-M635 HydrophobicContact CB-CG 4.11Å; L428-M635 HydrophobicContact CB-CB 4.4Å; L428-M635 HydrophobicContact CB-CE 4.25Å; V429-M635 WeakPolarHBondContact O-CA 3.44Å; P430-M635 VanDerWaalsContact CA-SD 3.51Å; P430-M635 HydrophobicContact CB-SD 3.86Å; S633-M635 PolarHBondContact O-N 2.9Å
636	T	94.5	Very high	91.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	178.8	175.7	-166.1	0	0	0	0	111.7	D411 L428 V429 V431 L640 V644	D411-T636 WeakPolarHBondContact O-CB 3.43Å; D411-T636 PolarHBondContact O-OG1 2.86Å; L428-T636 WeakPolarHBondContact CA-O 3.24Å; L428-T636 WeakPolarHBondContact CB-O 3.38Å; V429-T636 PolarHBondContact N-O 2.69Å; V429-T636 PolarHBondContact O-N 2.03Å; V431-T636 HydrophobicContact CG2-CG2 3.16Å; T636-L640 HydrophobicContact CG2-CB 4.39Å; T636-V644 HydrophobicContact CG2-CB 4.48Å; T636-V644 HydrophobicContact CG2-CG2 4.34Å
637	R	90.4	Very high	90.8	Very high	11 Å²	11	13.7 Å²	13.7	4%	0.042	8%	0.079	C	C	.	.			trans	-73.8	140.3	169.7	-69.3	-174.2	-67	-64.4	1.5	110.1	A348 I405 D408 V410 D411 L428 V639 L640	A348-R637 VanDerWaalsContact CB-CD 3.42Å; I405-R637 HydrophobicContact CG2-CG 3.79Å; I405-R637 WeakPolarHBondContact O-CD 3.46Å; I405-R637 PolarHBondContact O-NH1 2.85Å; D408-R637 IonicContact OD1-CZ 2.74Å; D408-R637 IonicContact OD1-NE 3.42Å; D408-R637 IonicContact OD1-NH2 3.62Å; D408-R637 PolarHBondContact OD1-NH2 2.66Å; V410-R637 PolarHBondContact O-NH1 3.49Å; D411-R637 IonicContact OD1-CZ 2.93Å; D411-R637 IonicContact OD1-NH1 3.66Å; D411-R637 IonicContact OD1-NH2 2.59Å; D411-R637 PolarHBondContact OD1-NH2 3.15Å; L428-R637 HydrophobicContact CD2-CG 4.11Å; R637-V639 PolarHBondContact O-N 3.39Å; R637-L640 PolarHBondContact O-N 3.44Å
638	P	84.9	Confident	90.6	Very high	43 Å²	43	13 Å²	13	28%	0.279	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-43	-43.6	-178.2	-32.9	34.6	0	0	0	115.8	S151 V429 L640 T641	S151-P638 WeakPolarHBondContact CA-O 3.39Å; S151-P638 WeakPolarHBondContact CB-O 3.43Å; V429-P638 HydrophobicContact CG1-CG 4Å; V429-P638 HydrophobicContact CG2-CB 4.41Å; V429-P638 HydrophobicContact CG2-CG 4.28Å; P638-L640 VanDerWaalsContact C-N 3.28Å; P638-L640 PolarHBondContact O-N 3.16Å; P638-T641 WeakPolarHBondContact O-CB 3.49Å; P638-T641 PolarHBondContact O-N 2.94Å; P638-T641 PolarHBondContact O-OG1 2.82Å
639	V	81.5	Confident	90.2	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.024	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-70.5	-18.1	-177.4	72.7	0	0	0	0	114.5	L150 L349 L353 R637	L150-V639 HydrophobicContact CD1-CG2 4.45Å; L349-V639 HydrophobicContact CD1-CB 4.03Å; L349-V639 HydrophobicContact CD1-CG2 4.05Å; L353-V639 HydrophobicContact CD2-CG2 3.97Å; L353-V639 HydrophobicContact CG-CG2 4.09Å; R637-V639 PolarHBondContact O-N 3.39Å
640	L	86.2	Confident	89.7	Confident	6 Å²	6	14.1 Å²	14.1	3%	0.031	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-98.3	-2.9	-178.3	-63.3	-174	0	0	0	113.5	D411 T636 R637 P638 S642 R643 V644	D411-L640 HydrophobicContact CB-CD1 3.82Å; D411-L640 VanDerWaalsContact OD1-CD1 3.31Å; D411-L640 WeakPolarHBondContact OD1-CD1 3.39Å; T636-L640 HydrophobicContact CG2-CB 4.39Å; R637-L640 PolarHBondContact O-N 3.44Å; P638-L640 VanDerWaalsContact C-N 3.28Å; P638-L640 PolarHBondContact O-N 3.16Å; L640-S642 PolarHBondContact O-N 2.84Å; L640-R643 WeakPolarHBondContact O-CB 3.44Å; L640-R643 PolarHBondContact O-N 3.22Å; L640-R643 VanDerWaalsContact O-N 3.13Å; L640-V644 HydrophobicContact CB-CG2 4.2Å; L640-V644 WeakPolarHBondContact O-CG2 3.02Å; L640-V644 PolarHBondContact O-N 3.41Å
641	T	86.9	Confident	89.1	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-52	-54.3	-172.1	-53.9	0	0	0	0	112.9	V429 V431 P638 R643 V644 Y645	V429-T641 WeakPolarHBondContact CG2-OG1 3.38Å; V431-T641 HydrophobicContact CG1-CG2 4.47Å; V431-T641 HydrophobicContact CG2-CG2 4.32Å; P638-T641 WeakPolarHBondContact O-CB 3.49Å; P638-T641 PolarHBondContact O-N 2.94Å; P638-T641 PolarHBondContact O-OG1 2.82Å; T641-R643 VanDerWaalsContact C-N 3.35Å; T641-R643 PolarHBondContact O-N 2.82Å; T641-V644 PolarHBondContact O-N 2.82Å; T641-Y645 VanDerWaalsContact O-CB 3.25Å; T641-Y645 WeakPolarHBondContact O-CB 3.36Å; T641-Y645 PolarHBondContact O-N 2.99Å
642	S	81	Confident	88.5	Confident	10 Å²	10	15.8 Å²	15.8	7%	0.07	8%	0.078	C	C	.	.	H	α-helix	trans	-61.1	-42.2	179.5	55.8	0	0	0	0	112.5	L640 Y645 D646	L640-S642 PolarHBondContact O-N 2.84Å; S642-Y645 WeakPolarHBondContact O-CB 3.48Å; S642-Y645 PolarHBondContact O-N 2.97Å; S642-D646 VanDerWaalsContact O-CG 3.28Å; S642-D646 PolarHBondContact O-N 3.46Å
643	R	83.3	Confident	87.4	Confident	26 Å²	26	21.2 Å²	21.2	10%	0.098	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-46.2	179.4	-174.2	-171.8	-53.9	176.5	0.3	112.2	D362 L640 T641 Y645 F647	D362-R643 PolarHBondContact O-NE 3.31Å; D362-R643 PolarHBondContact O-NH1 3.4Å; L640-R643 WeakPolarHBondContact O-CB 3.44Å; L640-R643 PolarHBondContact O-N 3.22Å; L640-R643 VanDerWaalsContact O-N 3.13Å; T641-R643 VanDerWaalsContact C-N 3.35Å; T641-R643 PolarHBondContact O-N 2.82Å; R643-Y645 VanDerWaalsContact C-N 3.33Å; R643-F647 WeakPolarHBondContact O-CB 3.28Å; R643-F647 PolarHBondContact O-N 2.59Å; R643-F647 VanDerWaalsContact O-N 3.12Å
644	V	90.1	Very high	85.9	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-68.1	-38.4	179.1	173.9	0	0	0	0	110	A412 V431 I634 T636 L640 T641 F647 L648	A412-V644 HydrophobicContact CB-CG1 3.9Å; A412-V644 HydrophobicContact CB-CG2 4.24Å; V431-V644 HydrophobicContact CB-CG1 4.34Å; V431-V644 HydrophobicContact CG1-CB 4.25Å; V431-V644 HydrophobicContact CG1-CG1 4.07Å; V431-V644 HydrophobicContact CG2-CB 4.28Å; V431-V644 HydrophobicContact CG2-CG1 4.04Å; I634-V644 HydrophobicContact CG2-CG1 4.35Å; T636-V644 HydrophobicContact CG2-CB 4.48Å; T636-V644 HydrophobicContact CG2-CG2 4.34Å; L640-V644 HydrophobicContact CB-CG2 4.2Å; L640-V644 WeakPolarHBondContact O-CG2 3.02Å; L640-V644 PolarHBondContact O-N 3.41Å; T641-V644 PolarHBondContact O-N 2.82Å; V644-F647 PolarHBondContact O-N 3.25Å; V644-L648 HydrophobicContact CG1-CD1 3.78Å; V644-L648 HydrophobicContact CG1-CG 4.37Å; V644-L648 WeakPolarHBondContact O-CB 3.47Å; V644-L648 VanDerWaalsContact O-CG 3.28Å; V644-L648 WeakPolarHBondContact O-CG 3.32Å; V644-L648 PolarHBondContact O-N 3.14Å
645	Y	88.4	Confident	84.3	Confident	18 Å²	18	24 Å²	24	7%	0.071	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-55.9	174.9	176.6	-100.6	0	0	0	111.5	V431 V432 H448 T641 S642 R643 F647 L648 M649 H687	V431-Y645 HydrophobicContact CG1-CD2 4.39Å; V432-Y645 HydrophobicContact CG1-CD2 3.69Å; V432-Y645 HydrophobicContact CG1-CE2 4.03Å; H448-Y645 PolarHBondContact CD2-OH 3.38Å; H448-Y645 VanDerWaalsContact CG-OH 3.28Å; T641-Y645 VanDerWaalsContact O-CB 3.25Å; T641-Y645 WeakPolarHBondContact O-CB 3.36Å; T641-Y645 PolarHBondContact O-N 2.99Å; S642-Y645 WeakPolarHBondContact O-CB 3.48Å; S642-Y645 PolarHBondContact O-N 2.97Å; R643-Y645 VanDerWaalsContact C-N 3.33Å; Y645-F647 PolarHBondContact O-N 3.29Å; Y645-L648 PolarHBondContact O-N 2.67Å; Y645-L648 VanDerWaalsContact O-N 3.08Å; Y645-M649 HydrophobicContact CD1-CG 4.2Å; Y645-M649 HydrophobicContact CD2-CG 4.14Å; Y645-M649 HydrophobicContact CE1-CG 3.73Å; Y645-M649 HydrophobicContact CE2-CE 4.17Å; Y645-M649 HydrophobicContact CE2-CG 3.64Å; Y645-M649 HydrophobicContact CE2-SD 3.8Å; Y645-M649 HydrophobicContact CG-CG 4.39Å; Y645-M649 VanDerWaalsContact CZ-CG 3.44Å; Y645-M649 WeakPolarHBondContact O-CG 3.34Å; Y645-M649 PolarHBondContact O-N 2.76Å; Y645-H687 AromaticContact CD2-CD2 3.43Å; Y645-H687 VanDerWaalsContact CD2-CD2 3.43Å; Y645-H687 WeakPolarHBondContact CD2-CD2 3.01Å; Y645-H687 HydrophobicContact CE2-CB 3.68Å; Y645-H687 AromaticContact CE2-CD2 3.16Å; Y645-H687 WeakPolarHBondContact CE2-CD2 3.01Å; Y645-H687 AromaticContact CE2-CG 3.46Å; Y645-H687 VanDerWaalsContact CE2-CG 3.46Å; Y645-H687 AromaticContact CE2-NE2 3.92Å; Y645-H687 AromaticContact CZ-CD2 3.85Å; Y645-H687 AromaticContact CZ-CG 3.89Å
646	D	84.8	Confident	82.4	Confident	59 Å²	59	25 Å²	25	32%	0.316	13%	0.13	S	C	.	.	H	α-helix	trans	-57.6	-39.7	-179.9	-71.2	-14	0	0	0	111.9	S642 K650	S642-D646 VanDerWaalsContact O-CG 3.28Å; S642-D646 PolarHBondContact O-N 3.46Å; D646-K650 WeakPolarHBondContact O-CB 3.32Å; D646-K650 WeakPolarHBondContact O-CD 3.24Å; D646-K650 VanDerWaalsContact O-CG 3.24Å; D646-K650 WeakPolarHBondContact O-CG 3.28Å; D646-K650 PolarHBondContact O-N 3.29Å; D646-K650 VanDerWaalsContact O-N 3.11Å
647	F	88.9	Confident	80.4	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-45.2	176.5	168.5	-96.5	0	0	0	112.1	V365 W381 I385 D388 L390 R643 V644 Y645 S651	V365-F647 HydrophobicContact CB-CD1 4.29Å; V365-F647 HydrophobicContact CB-CD2 4.19Å; V365-F647 HydrophobicContact CB-CE1 4.37Å; V365-F647 HydrophobicContact CB-CE2 4.23Å; V365-F647 HydrophobicContact CB-CG 4.21Å; V365-F647 HydrophobicContact CB-CZ 4.37Å; V365-F647 HydrophobicContact CG1-CD1 4Å; V365-F647 HydrophobicContact CG1-CE1 4.03Å; V365-F647 HydrophobicContact CG1-CG 4.4Å; V365-F647 HydrophobicContact CG1-CZ 4.43Å; V365-F647 HydrophobicContact CG2-CB 3.92Å; V365-F647 HydrophobicContact CG2-CD1 4.15Å; V365-F647 HydrophobicContact CG2-CD2 3.85Å; V365-F647 HydrophobicContact CG2-CE2 4.4Å; V365-F647 HydrophobicContact CG2-CG 3.71Å; W381-F647 AromaticContact CH2-CE1 3.57Å; W381-F647 HydrophobicContact CH2-CE1 3.57Å; W381-F647 HydrophobicContact CH2-CZ 4.03Å; W381-F647 HydrophobicContact CZ2-CD1 4.48Å; W381-F647 AromaticContact CZ2-CE1 3.39Å; W381-F647 HydrophobicContact CZ2-CE1 3.39Å; W381-F647 AromaticContact CZ2-CZ 3.61Å; W381-F647 HydrophobicContact CZ2-CZ 3.61Å; I385-F647 HydrophobicContact CD1-CD2 3.93Å; I385-F647 HydrophobicContact CD1-CE2 3.28Å; I385-F647 HydrophobicContact CD1-CZ 3.66Å; D388-F647 HydrophobicContact CB-CD2 4.26Å; L390-F647 HydrophobicContact CB-CE2 4.15Å; L390-F647 HydrophobicContact CB-CZ 4.02Å; L390-F647 HydrophobicContact CD1-CE1 4.18Å; L390-F647 HydrophobicContact CD1-CE2 4.33Å; L390-F647 HydrophobicContact CD1-CZ 3.57Å; L390-F647 HydrophobicContact CD2-CZ 4.18Å; L390-F647 HydrophobicContact CG-CZ 4.13Å; R643-F647 WeakPolarHBondContact O-CB 3.28Å; R643-F647 PolarHBondContact O-N 2.59Å; R643-F647 VanDerWaalsContact O-N 3.12Å; V644-F647 PolarHBondContact O-N 3.25Å; Y645-F647 PolarHBondContact O-N 3.29Å; F647-S651 WeakPolarHBondContact O-CB 3.33Å; F647-S651 PolarHBondContact O-N 2.88Å; F647-S651 PolarHBondContact O-OG 2.77Å
648	L	91.1	Very high	78.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.9	-39.9	-179.5	-70.5	169.6	0	0	0	112.4	W367 W381 V432 I634 V644 Y645 S651 Q652 F685	W367-L648 HydrophobicContact CH2-CD2 3.94Å; W367-L648 HydrophobicContact CZ3-CD2 3.83Å; W381-L648 HydrophobicContact CH2-CD2 4.08Å; W381-L648 HydrophobicContact CZ2-CD2 4.24Å; V432-L648 HydrophobicContact CG2-CD1 3.51Å; I634-L648 HydrophobicContact CB-CD1 4.24Å; I634-L648 HydrophobicContact CG1-CD1 4.23Å; I634-L648 HydrophobicContact CG2-CD1 3.83Å; V644-L648 HydrophobicContact CG1-CD1 3.78Å; V644-L648 HydrophobicContact CG1-CG 4.37Å; V644-L648 WeakPolarHBondContact O-CB 3.47Å; V644-L648 VanDerWaalsContact O-CG 3.28Å; V644-L648 WeakPolarHBondContact O-CG 3.32Å; V644-L648 PolarHBondContact O-N 3.14Å; Y645-L648 PolarHBondContact O-N 2.67Å; Y645-L648 VanDerWaalsContact O-N 3.08Å; L648-S651 WeakPolarHBondContact O-CB 3.37Å; L648-S651 PolarHBondContact O-N 2.82Å; L648-Q652 PolarHBondContact O-N 2.74Å; L648-F685 HydrophobicContact CB-CD2 4.27Å; L648-F685 HydrophobicContact CB-CE2 4.35Å; L648-F685 HydrophobicContact CD2-CE2 4.03Å; L648-F685 HydrophobicContact CD2-CZ 4.34Å
649	M	86.5	Confident	76.7	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-47.3	176.1	-66.7	-53.2	91.7	0	0	111	V432 H448 Y645 S651 Q652 E653 F685	V432-M649 HydrophobicContact CG1-CE 3.76Å; H448-M649 HydrophobicContact CB-SD 4.42Å; Y645-M649 HydrophobicContact CD1-CG 4.2Å; Y645-M649 HydrophobicContact CD2-CG 4.14Å; Y645-M649 HydrophobicContact CE1-CG 3.73Å; Y645-M649 HydrophobicContact CE2-CE 4.17Å; Y645-M649 HydrophobicContact CE2-CG 3.64Å; Y645-M649 HydrophobicContact CE2-SD 3.8Å; Y645-M649 HydrophobicContact CG-CG 4.39Å; Y645-M649 VanDerWaalsContact CZ-CG 3.44Å; Y645-M649 WeakPolarHBondContact O-CG 3.34Å; Y645-M649 PolarHBondContact O-N 2.76Å; M649-S651 VanDerWaalsContact C-N 3.32Å; M649-S651 PolarHBondContact O-N 2.93Å; M649-Q652 PolarHBondContact O-N 2.78Å; M649-E653 WeakPolarHBondContact O-CG 3.49Å; M649-E653 PolarHBondContact O-N 3.44Å; M649-F685 HydrophobicContact CE-CB 3.69Å; M649-F685 HydrophobicContact CE-CD2 4.22Å; M649-F685 HydrophobicContact CE-CG 4.4Å
650	K	84.8	Confident	75.2	Confident	91 Å²	91	43.1 Å²	43.1	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-37.6	174.7	-70.3	171.8	-173.4	172.5	0	112.6	D646 T654	D646-K650 WeakPolarHBondContact O-CB 3.32Å; D646-K650 WeakPolarHBondContact O-CD 3.24Å; D646-K650 VanDerWaalsContact O-CG 3.24Å; D646-K650 WeakPolarHBondContact O-CG 3.28Å; D646-K650 PolarHBondContact O-N 3.29Å; D646-K650 VanDerWaalsContact O-N 3.11Å; K650-T654 WeakPolarHBondContact O-CB 3.1Å; K650-T654 WeakPolarHBondContact O-CG2 3.17Å; K650-T654 PolarHBondContact O-N 2.8Å; K650-T654 VanDerWaalsContact O-N 3.1Å; K650-T654 PolarHBondContact O-OG1 3.12Å
651	S	84.4	Confident	73.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-47.5	174.7	-62.2	0	0	0	0	111.1	I385 F647 L648 M649 T654 L655	I385-S651 WeakPolarHBondContact CD1-OG 3.44Å; F647-S651 WeakPolarHBondContact O-CB 3.33Å; F647-S651 PolarHBondContact O-N 2.88Å; F647-S651 PolarHBondContact O-OG 2.77Å; L648-S651 WeakPolarHBondContact O-CB 3.37Å; L648-S651 PolarHBondContact O-N 2.82Å; M649-S651 VanDerWaalsContact C-N 3.32Å; M649-S651 PolarHBondContact O-N 2.93Å; S651-T654 PolarHBondContact O-N 2.85Å; S651-T654 PolarHBondContact O-OG1 2.74Å; S651-L655 VanDerWaalsContact O-CB 3.24Å; S651-L655 WeakPolarHBondContact O-CB 3.28Å; S651-L655 WeakPolarHBondContact O-CG 3.36Å; S651-L655 PolarHBondContact O-N 2.76Å
652	Q	80.8	Confident	73.2	Confident	40 Å²	40	54.9 Å²	54.9	19%	0.187	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-40.6	-179.4	179.6	170.6	-80.7	0	0	112.8	L648 M649 T654 G656 F685	L648-Q652 PolarHBondContact O-N 2.74Å; M649-Q652 PolarHBondContact O-N 2.78Å; Q652-T654 VanDerWaalsContact C-N 3.29Å; Q652-T654 PolarHBondContact O-N 2.86Å; Q652-G656 VanDerWaalsContact O-CA 3.26Å; Q652-G656 WeakPolarHBondContact O-CA 3.1Å; Q652-G656 PolarHBondContact O-N 2.9Å; Q652-F685 HydrophobicContact CB-CD2 4.35Å
653	E	76.1	Confident	73.4	Confident	130 Å²	130	54.5 Å²	54.5	61%	0.607	32%	0.316	S	S	*	.	H	α-helix	trans	-63.5	-36.9	177.2	-73.8	172	-171.2	0	0	112.2	H448 M649	H448-E653 IonicContact CE1-OE1 3.97Å; H448-E653 PolarHBondContact CE1-OE1 3.39Å; M649-E653 WeakPolarHBondContact O-CG 3.49Å; M649-E653 PolarHBondContact O-N 3.44Å
654	T	64.3	Low	73.6	Confident	49 Å²	49	57.1 Å²	57.1	30%	0.301	33%	0.329	S	S	.	.	H	α-helix	trans	-86.2	-25.3	-176.8	53.8	0	0	0	0	113.9	K650 S651 Q652	K650-T654 WeakPolarHBondContact O-CB 3.1Å; K650-T654 WeakPolarHBondContact O-CG2 3.17Å; K650-T654 PolarHBondContact O-N 2.8Å; K650-T654 VanDerWaalsContact O-N 3.1Å; K650-T654 PolarHBondContact O-OG1 3.12Å; S651-T654 PolarHBondContact O-N 2.85Å; S651-T654 PolarHBondContact O-OG1 2.74Å; Q652-T654 VanDerWaalsContact C-N 3.29Å; Q652-T654 PolarHBondContact O-N 2.86Å
655	L	64.4	Low	73.5	Confident	9 Å²	9	57.3 Å²	57.3	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-123.5	10.6	-172	-54.7	169.8	0	0	0	113.2	S651 F663	S651-L655 VanDerWaalsContact O-CB 3.24Å; S651-L655 WeakPolarHBondContact O-CB 3.28Å; S651-L655 WeakPolarHBondContact O-CG 3.36Å; S651-L655 PolarHBondContact O-N 2.76Å; L655-F663 HydrophobicContact CD1-CD1 3.97Å; L655-F663 HydrophobicContact CD1-CE1 4.09Å; L655-F663 HydrophobicContact CD2-CD1 4.36Å
656	G	58.1	Low	73.7	Confident	21 Å²	21	57.9 Å²	57.9	22%	0.216	33%	0.333	C	S	.	.	S	Bend	trans	-64.7	158.8	177.3	0	0	0	0	0	112.9	Q652 T658 S659	Q652-G656 VanDerWaalsContact O-CA 3.26Å; Q652-G656 WeakPolarHBondContact O-CA 3.1Å; Q652-G656 PolarHBondContact O-N 2.9Å; G656-T658 PolarHBondContact O-N 3.07Å; G656-S659 PolarHBondContact O-N 2.93Å
657	A	52	Low	73.9	Confident	104 Å²	104	59.4 Å²	59.4	86%	0.86	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-2.7	-166.6	0	0	0	0	0	117.5
658	T	48.3	Very low	74.1	Confident	148 Å²	148	59.4 Å²	59.4	91%	0.908	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	3.3	-174.1	49.2	0	0	0	0	114.8	G656	G656-T658 PolarHBondContact O-N 3.07Å
659	S	49.4	Very low	73.7	Confident	52 Å²	52	63.5 Å²	63.5	36%	0.364	36%	0.357	S	S	.	.	S	Bend	trans	-111.4	136.4	176	73.9	0	0	0	0	111.8	G656 T661	G656-S659 PolarHBondContact O-N 2.93Å; S659-T661 PolarHBondContact O-N 3.36Å; S659-T661 PolarHBondContact O-OG1 3.08Å; S659-T661 WeakPolarHBondContact OG-CG2 3.4Å; S659-T661 PolarHBondContact OG-OG1 3.23Å
660	S	49.2	Very low	73.6	Confident	135 Å²	135	68.8 Å²	68.8	94%	0.944	38%	0.381	S	S	*	.			trans	-66.9	55.4	178.7	62.7	0	0	0	0	112.9
661	T	57.9	Low	73.8	Confident	58 Å²	58	65.7 Å²	65.7	36%	0.356	37%	0.367	S	S	.	.			trans	-98.1	146.3	-178.2	51.7	0	0	0	0	110.3	S659 F663	S659-T661 PolarHBondContact O-N 3.36Å; S659-T661 PolarHBondContact O-OG1 3.08Å; S659-T661 WeakPolarHBondContact OG-CG2 3.4Å; S659-T661 PolarHBondContact OG-OG1 3.23Å; T661-F663 PolarHBondContact O-N 2.98Å; T661-F663 VanDerWaalsContact O-N 3.16Å; T661-F663 PolarHBondContact OG1-O 2.9Å
662	E	72.9	Confident	73.8	Confident	195 Å²	195	67.8 Å²	67.8	91%	0.911	39%	0.389	S	S	*	.	S	Bend	trans	-66.9	-8.8	-179.7	-166.5	176.7	174.6	0	0	112.9
663	F	86.2	Confident	74.2	Confident	3 Å²	3	66.9 Å²	66.9	1%	0.013	39%	0.385	C	S	.	.			trans	-132	129.8	-175.7	176.2	-96.3	0	0	0	111.3	K377 Q380 W381 S384 L655 T661 L665 Y671	K377-F663 HydrophobicContact CG-CE2 3.99Å; K377-F663 HydrophobicContact CG-CZ 4.32Å; K377-F663 WeakPolarHBondContact O-CE2 3.27Å; Q380-F663 HydrophobicContact CB-CD2 3.86Å; Q380-F663 HydrophobicContact CB-CE2 4.11Å; W381-F663 HydrophobicContact CB-CE1 3.75Å; W381-F663 HydrophobicContact CB-CE2 4.13Å; W381-F663 HydrophobicContact CB-CZ 3.47Å; W381-F663 VanDerWaalsContact CB-CZ 3.47Å; W381-F663 AromaticContact CD1-CE1 3.9Å; W381-F663 AromaticContact CG-CE1 3.95Å; W381-F663 HydrophobicContact CG-CE1 3.95Å; W381-F663 HydrophobicContact CG-CZ 4.05Å; S384-F663 VanDerWaalsContact OG-CB 3.28Å; S384-F663 WeakPolarHBondContact OG-CB 3.36Å; L655-F663 HydrophobicContact CD1-CD1 3.97Å; L655-F663 HydrophobicContact CD1-CE1 4.09Å; L655-F663 HydrophobicContact CD2-CD1 4.36Å; T661-F663 PolarHBondContact O-N 2.98Å; T661-F663 VanDerWaalsContact O-N 3.16Å; T661-F663 PolarHBondContact OG1-O 2.9Å; F663-L665 HydrophobicContact CE1-CB 4.29Å; F663-L665 HydrophobicContact CE1-CD1 3.94Å; F663-L665 HydrophobicContact CZ-CD1 4.22Å; F663-Y671 WeakPolarHBondContact CE2-OH 3.43Å
664	Q	87.1	Confident	74.9	Confident	81 Å²	81	60.7 Å²	60.7	38%	0.379	36%	0.356	S	S	.	.			trans	-115.1	125.6	174.9	-61.8	-164.2	42.5	0	0	110.4	F666 E667	Q664-F666 PolarHBondContact O-N 2.71Å; Q664-E667 HydrophobicContact CB-CB 4.02Å; Q664-E667 HydrophobicContact CB-CG 4.01Å; Q664-E667 VanDerWaalsContact CD-OE2 3.27Å; Q664-E667 PolarHBondContact NE2-OE1 3.43Å; Q664-E667 PolarHBondContact NE2-OE2 3.21Å; Q664-E667 VanDerWaalsContact NE2-OE2 3.15Å; Q664-E667 PolarHBondContact OE1-OE1 3.22Å; Q664-E667 PolarHBondContact OE1-OE2 3.04Å
665	L	88.8	Confident	76.4	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-41.4	-172.7	-169.8	62.6	0	0	0	112.5	K377 W381 F663 F678 F685	K377-L665 WeakPolarHBondContact CE-O 3.07Å; K377-L665 PolarHBondContact NZ-O 3.23Å; W381-L665 HydrophobicContact CD2-CD1 3.85Å; W381-L665 HydrophobicContact CE3-CD1 4.36Å; W381-L665 HydrophobicContact CG-CD1 4.08Å; W381-L665 HydrophobicContact CZ2-CD1 4.22Å; F663-L665 HydrophobicContact CE1-CB 4.29Å; F663-L665 HydrophobicContact CE1-CD1 3.94Å; F663-L665 HydrophobicContact CZ-CD1 4.22Å; L665-F678 HydrophobicContact CD1-CD2 4.16Å; L665-F678 HydrophobicContact CD1-CE2 3.66Å; L665-F678 HydrophobicContact CD2-CE2 4.38Å; L665-F678 HydrophobicContact CG-CD2 4.07Å; L665-F678 HydrophobicContact CG-CE2 3.93Å; L665-F685 HydrophobicContact CD2-CE2 3.92Å; L665-F685 HydrophobicContact CD2-CZ 4.18Å
666	F	91.6	Very high	77.9	Confident	30 Å²	30	59.2 Å²	59.2	13%	0.132	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	20.7	-174.5	-47.9	-47.6	0	0	0	113.4	Q664 F678 D680 T682 F685	Q664-F666 PolarHBondContact O-N 2.71Å; F666-F678 HydrophobicContact CD1-CB 4.09Å; F666-F678 HydrophobicContact CD1-CD2 4.35Å; F666-F678 HydrophobicContact CD1-CG 4.31Å; F666-F678 HydrophobicContact CE1-CD2 4.42Å; F666-F678 HydrophobicContact CE1-CG 4.35Å; F666-D680 VanDerWaalsContact O-CA 3.26Å; F666-D680 WeakPolarHBondContact O-CA 3.25Å; F666-T682 WeakPolarHBondContact CB-O 3.46Å; F666-T682 HydrophobicContact CD1-CG2 3.7Å; F666-T682 HydrophobicContact CD2-CG2 4.18Å; F666-T682 WeakPolarHBondContact CD2-O 3.4Å; F666-T682 HydrophobicContact CE1-CG2 3.54Å; F666-T682 HydrophobicContact CE2-CG2 4.04Å; F666-T682 HydrophobicContact CG-CG2 4.03Å; F666-T682 WeakPolarHBondContact CG-O 3.5Å; F666-T682 HydrophobicContact CZ-CG2 3.72Å; F666-F685 AromaticContact CE1-CE1 3.91Å; F666-F685 HydrophobicContact CE1-CE1 3.91Å; F666-F685 HydrophobicContact CE1-CE2 4.07Å; F666-F685 AromaticContact CE1-CZ 3.57Å; F666-F685 HydrophobicContact CE1-CZ 3.57Å; F666-F685 HydrophobicContact CZ-CD2 4.36Å; F666-F685 HydrophobicContact CZ-CE1 4.24Å; F666-F685 AromaticContact CZ-CE2 3.98Å; F666-F685 HydrophobicContact CZ-CE2 3.98Å; F666-F685 AromaticContact CZ-CZ 3.91Å; F666-F685 HydrophobicContact CZ-CZ 3.91Å
667	E	89.8	Confident	79.7	Confident	91 Å²	91	58.6 Å²	58.6	43%	0.425	34%	0.338	S	S	.	.			trans	-118.8	136.7	171.6	-65.9	-168.7	166.9	0	0	111.4	K377 Q664	K377-E667 VanDerWaalsContact CE-O 3.22Å; K377-E667 WeakPolarHBondContact CE-O 3.29Å; K377-E667 PolarHBondContact NZ-O 3.17Å; Q664-E667 HydrophobicContact CB-CB 4.02Å; Q664-E667 HydrophobicContact CB-CG 4.01Å; Q664-E667 VanDerWaalsContact CD-OE2 3.27Å; Q664-E667 PolarHBondContact NE2-OE1 3.43Å; Q664-E667 PolarHBondContact NE2-OE2 3.21Å; Q664-E667 VanDerWaalsContact NE2-OE2 3.15Å; Q664-E667 PolarHBondContact OE1-OE1 3.22Å; Q664-E667 PolarHBondContact OE1-OE2 3.04Å
668	S	91.8	Very high	81.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.298	C	S	.	.			trans	-123.5	-15.2	-176.2	-54.3	0	0	0	0	114.7	K377 Q670 Y671 E673 L676 D680	K377-S668 PolarHBondContact NZ-OG 2.06Å; S668-Q670 VanDerWaalsContact C-N 3.25Å; S668-Q670 PolarHBondContact O-N 3.37Å; S668-Q670 VanDerWaalsContact O-N 3.08Å; S668-Y671 WeakPolarHBondContact O-CB 3.12Å; S668-Y671 WeakPolarHBondContact O-CD2 3.32Å; S668-Y671 PolarHBondContact O-N 2.91Å; S668-E673 CarbonylContact C-O 3.12Å; S668-E673 VanDerWaalsContact C-O 3.22Å; S668-E673 WeakPolarHBondContact CB-O 3.49Å; S668-L676 PolarHBondContact OG-N 2.82Å; S668-D680 WeakPolarHBondContact CB-OD1 3.32Å; S668-D680 PolarHBondContact N-OD1 3.07Å; S668-D680 PolarHBondContact OG-OD1 3.16Å
669	H	82.9	Confident	84	Confident	86 Å²	86	47.1 Å²	47.1	40%	0.398	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55.9	-35	-172.1	-70.8	-59.3	0	0	0	114.3	Y671 G672	H669-Y671 PolarHBondContact O-N 3.02Å; H669-Y671 VanDerWaalsContact O-N 3.11Å; H669-G672 PolarHBondContact O-N 2.86Å; H669-G672 VanDerWaalsContact O-N 3.07Å
670	Q	85.7	Confident	86	Confident	117 Å²	117	46.2 Å²	46.2	55%	0.547	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-63.9	-15	178.3	67.2	178.7	-4.8	0	0	114.5	S668	S668-Q670 VanDerWaalsContact C-N 3.25Å; S668-Q670 PolarHBondContact O-N 3.37Å; S668-Q670 VanDerWaalsContact O-N 3.08Å
671	Y	88.5	Confident	88	Confident	26 Å²	26	41.1 Å²	41.1	10%	0.102	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-99	1.3	178.3	-52.7	-80.7	0	0	0	113.1	K376 K377 Q380 F663 S668 H669 L676	K376-Y671 HydrophobicContact CD-CD1 4.28Å; K376-Y671 HydrophobicContact CG-CD1 4.32Å; K376-Y671 HydrophobicContact CG-CE1 4.41Å; K377-Y671 HydrophobicContact CB-CD1 4.2Å; K377-Y671 HydrophobicContact CB-CD2 4.1Å; K377-Y671 HydrophobicContact CB-CE1 3.9Å; K377-Y671 HydrophobicContact CB-CE2 3.8Å; K377-Y671 HydrophobicContact CB-CG 4.3Å; K377-Y671 HydrophobicContact CD-CD2 4.01Å; K377-Y671 HydrophobicContact CD-CE2 3.67Å; K377-Y671 HydrophobicContact CG-CD2 4.13Å; K377-Y671 HydrophobicContact CG-CE1 4.37Å; K377-Y671 HydrophobicContact CG-CE2 3.5Å; K377-Y671 VanDerWaalsContact CG-CE2 3.5Å; Q380-Y671 PolarHBondContact OE1-OH 2.85Å; F663-Y671 WeakPolarHBondContact CE2-OH 3.43Å; S668-Y671 WeakPolarHBondContact O-CB 3.12Å; S668-Y671 WeakPolarHBondContact O-CD2 3.32Å; S668-Y671 PolarHBondContact O-N 2.91Å; H669-Y671 PolarHBondContact O-N 3.02Å; H669-Y671 VanDerWaalsContact O-N 3.11Å; Y671-L676 VanDerWaalsContact CB-CD1 3.41Å; Y671-L676 HydrophobicContact CD2-CD1 4.07Å; Y671-L676 HydrophobicContact CG-CD1 3.99Å
672	G	83.6	Confident	89.6	Confident	44 Å²	44	38.7 Å²	38.7	45%	0.454	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	2.5	175.7	0	0	0	0	0	115.7	R563 H669	R563-G672 PolarHBondContact NH2-O 2.94Å; H669-G672 PolarHBondContact O-N 2.86Å; H669-G672 VanDerWaalsContact O-N 3.07Å
673	E	89.7	Confident	90.4	Very high	21 Å²	21	34.7 Å²	34.7	10%	0.098	18%	0.179	C	C	.	.	S	Bend	trans	-135.7	171.5	178.2	-65	-58.6	155.3	0	0	110.8	H551 R563 S668 L676	H551-E673 HydrophobicContact CB-CG 4.43Å; R563-E673 IonicContact CZ-OE1 3.79Å; R563-E673 IonicContact CZ-OE2 3.29Å; R563-E673 VanDerWaalsContact NH1-CD 3.3Å; R563-E673 IonicContact NH1-OE1 2.79Å; R563-E673 PolarHBondContact NH1-OE1 3.31Å; R563-E673 IonicContact NH1-OE2 3.48Å; R563-E673 PolarHBondContact NH1-OE2 3.36Å; R563-E673 VanDerWaalsContact NH1-OE2 3.12Å; R563-E673 IonicContact NH2-OE1 3.54Å; R563-E673 PolarHBondContact NH2-OE1 3.25Å; R563-E673 IonicContact NH2-OE2 2.9Å; S668-E673 CarbonylContact C-O 3.12Å; S668-E673 VanDerWaalsContact C-O 3.22Å; S668-E673 WeakPolarHBondContact CB-O 3.49Å; E673-L676 HydrophobicContact CB-CD1 4.17Å; E673-L676 HydrophobicContact CB-CD2 3.9Å; E673-L676 HydrophobicContact CB-CG 4.08Å
674	S	91.6	Very high	90.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	18%	0.18	C	C	.	.	S	Bend	trans	-107.1	158.8	172	72.5	0	0	0	0	111.3	H551 M559 N584 L676 D680	H551-S674 PolarHBondContact CE1-O 2.99Å; M559-S674 WeakPolarHBondContact CB-OG 3.48Å; N584-S674 PolarHBondContact ND2-OG 3.02Å; S674-L676 VanDerWaalsContact C-N 3.34Å; S674-L676 PolarHBondContact O-N 3.07Å; S674-D680 WeakPolarHBondContact CA-OD2 3.42Å
675	D	94.8	Very high	90.7	Very high	26 Å²	26	31 Å²	31	14%	0.139	16%	0.163	C	C	.	.	S	Bend	trans	56.4	40.3	172.4	-48.1	-59.1	0	0	0	114.1	H583 N584 F678 K679 D680	H583-D675 IonicContact CD2-OD1 3.02Å; H583-D675 IonicContact CE1-OD1 2.76Å; H583-D675 IonicContact NE2-OD1 2.76Å; H583-D675 PolarHBondContact NE2-OD1 3.23Å; H583-D675 IonicContact NE2-OD2 2.78Å; N584-D675 VanDerWaalsContact ND2-CG 3.33Å; N584-D675 PolarHBondContact ND2-OD1 2.98Å; N584-D675 PolarHBondContact ND2-OD2 2.98Å; D675-F678 CarbonylContact C-O 3.47Å; D675-F678 VanDerWaalsContact CA-O 3.27Å; D675-F678 WeakPolarHBondContact CA-O 3.16Å; D675-K679 HydrophobicContact CB-CG 4.48Å; D675-K679 WeakPolarHBondContact OD1-CA 3.36Å; D675-D680 PolarHBondContact N-OD2 3.38Å; D675-D680 PolarHBondContact OD1-N 3.29Å; D675-D680 VanDerWaalsContact OD1-N 3.08Å
676	L	95.8	Very high	90.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-80.5	126.8	177.9	-63.7	176.2	0	0	0	110.6	A373 E374 K377 H551 S668 Y671 E673 S674 F678	A373-L676 HydrophobicContact CB-CD1 3.83Å; A373-L676 HydrophobicContact CB-CD2 3.92Å; E374-L676 HydrophobicContact CG-CB 4.11Å; E374-L676 HydrophobicContact CG-CD2 3.68Å; E374-L676 HydrophobicContact CG-CG 4.49Å; K377-L676 HydrophobicContact CD-CB 3.76Å; K377-L676 WeakPolarHBondContact CD-O 3.26Å; K377-L676 WeakPolarHBondContact CE-O 3.21Å; K377-L676 PolarHBondContact NZ-O 3.27Å; H551-L676 HydrophobicContact CB-CD2 4.47Å; S668-L676 PolarHBondContact OG-N 2.82Å; Y671-L676 VanDerWaalsContact CB-CD1 3.41Å; Y671-L676 HydrophobicContact CD2-CD1 4.07Å; Y671-L676 HydrophobicContact CG-CD1 3.99Å; E673-L676 HydrophobicContact CB-CD1 4.17Å; E673-L676 HydrophobicContact CB-CD2 3.9Å; E673-L676 HydrophobicContact CB-CG 4.08Å; S674-L676 VanDerWaalsContact C-N 3.34Å; S674-L676 PolarHBondContact O-N 3.07Å; L676-F678 PolarHBondContact O-N 3.24Å
677	L	96.2	Very high	90.6	Very high	9 Å²	9	30 Å²	30	5%	0.047	16%	0.158	C	C	.	.	S	Bend	trans	66.1	-46	-172.7	-50.2	176.5	0	0	0	114.6	E374 K377 C378 W381 S414	E374-L677 HydrophobicContact CB-CD2 3.83Å; E374-L677 HydrophobicContact CG-CD2 4.14Å; E374-L677 PolarHBondContact OE1-N 2.85Å; K377-L677 HydrophobicContact CB-CD1 4.12Å; K377-L677 HydrophobicContact CD-CD1 3.99Å; K377-L677 HydrophobicContact CD-CG 4.17Å; K377-L677 HydrophobicContact CG-CD1 3.76Å; K377-L677 HydrophobicContact CG-CG 4.36Å; C378-L677 HydrophobicContact CB-CD1 4.01Å; C378-L677 HydrophobicContact CB-CD2 4.19Å; W381-L677 HydrophobicContact CE3-CD1 4.13Å; S414-L677 WeakPolarHBondContact CB-O 3.44Å
678	F	95.9	Very high	90.5	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	14%	0.138	C	C	.	.	S	Bend	trans	-139.7	157.9	179.4	-52.6	-75.4	0	0	0	108.9	W367 W381 E434 I634 L665 F666 D675 L676 F685	W367-F678 AromaticContact CH2-CE1 3.82Å; W367-F678 HydrophobicContact CH2-CE1 3.82Å; W367-F678 AromaticContact CH2-CZ 3.67Å; W367-F678 HydrophobicContact CH2-CZ 3.67Å; W367-F678 AromaticContact CZ2-CE1 3.56Å; W367-F678 HydrophobicContact CZ2-CE1 3.56Å; W367-F678 HydrophobicContact CZ2-CE2 4.38Å; W367-F678 AromaticContact CZ2-CZ 3.36Å; W367-F678 HydrophobicContact CZ2-CZ 3.36Å; W381-F678 HydrophobicContact CH2-CE2 4.27Å; W381-F678 AromaticContact CH2-CZ 4Å; W381-F678 HydrophobicContact CH2-CZ 4Å; W381-F678 HydrophobicContact CZ3-CE2 4.17Å; W381-F678 HydrophobicContact CZ3-CZ 4.17Å; E434-F678 HydrophobicContact CG-CD1 4.45Å; E434-F678 VanDerWaalsContact OE1-CA 3.31Å; E434-F678 WeakPolarHBondContact OE1-CA 3.29Å; I634-F678 HydrophobicContact CD1-CD1 4.48Å; I634-F678 HydrophobicContact CD1-CE1 4.21Å; I634-F678 HydrophobicContact CG1-CE1 4.08Å; L665-F678 HydrophobicContact CD1-CD2 4.16Å; L665-F678 HydrophobicContact CD1-CE2 3.66Å; L665-F678 HydrophobicContact CD2-CE2 4.38Å; L665-F678 HydrophobicContact CG-CD2 4.07Å; L665-F678 HydrophobicContact CG-CE2 3.93Å; F666-F678 HydrophobicContact CD1-CB 4.09Å; F666-F678 HydrophobicContact CD1-CD2 4.35Å; F666-F678 HydrophobicContact CD1-CG 4.31Å; F666-F678 HydrophobicContact CE1-CD2 4.42Å; F666-F678 HydrophobicContact CE1-CG 4.35Å; D675-F678 CarbonylContact C-O 3.47Å; D675-F678 VanDerWaalsContact CA-O 3.27Å; D675-F678 WeakPolarHBondContact CA-O 3.16Å; L676-F678 PolarHBondContact O-N 3.24Å; F678-F685 AromaticContact CD1-CE1 3.84Å; F678-F685 HydrophobicContact CD1-CE1 3.84Å; F678-F685 AromaticContact CD1-CZ 3.86Å; F678-F685 HydrophobicContact CD1-CZ 3.86Å; F678-F685 AromaticContact CE1-CE1 3.78Å; F678-F685 HydrophobicContact CE1-CE1 3.78Å; F678-F685 AromaticContact CE1-CZ 3.5Å; F678-F685 HydrophobicContact CE1-CZ 3.5Å; F678-F685 HydrophobicContact CE2-CZ 4.36Å; F678-F685 HydrophobicContact CG-CZ 4.42Å; F678-F685 HydrophobicContact CZ-CE1 4.5Å; F678-F685 AromaticContact CZ-CZ 3.78Å; F678-F685 HydrophobicContact CZ-CZ 3.78Å
679	K	94.6	Very high	90.2	Very high	9 Å²	9	25.8 Å²	25.8	4%	0.039	14%	0.139	C	C	.	.			trans	-65.9	143.1	172.6	-64.2	-164.8	-171.8	179.1	0	110.8	E434 Y436 E581 N632 D675 A681 T682	E434-K679 PolarHBondContact OE1-N 3.34Å; E434-K679 WeakPolarHBondContact OE2-CB 3.32Å; E434-K679 WeakPolarHBondContact OE2-CG 3.49Å; E434-K679 PolarHBondContact OE2-N 3.01Å; Y436-K679 HydrophobicContact CE1-CB 4.15Å; Y436-K679 HydrophobicContact CE1-CD 4.43Å; Y436-K679 HydrophobicContact CE2-CD 4.45Å; Y436-K679 VanDerWaalsContact OH-CD 3.31Å; Y436-K679 WeakPolarHBondContact OH-CD 3.39Å; E581-K679 IonicContact OE1-NZ 3.77Å; E581-K679 PolarHBondContact OE1-NZ 3Å; E581-K679 WeakPolarHBondContact OE2-CE 3.4Å; E581-K679 IonicContact OE2-NZ 3.25Å; E581-K679 PolarHBondContact OE2-NZ 2.98Å; N632-K679 WeakPolarHBondContact OD1-CE 3.03Å; D675-K679 HydrophobicContact CB-CG 4.48Å; D675-K679 WeakPolarHBondContact OD1-CA 3.36Å; K679-A681 PolarHBondContact O-N 2.93Å; K679-T682 VanDerWaalsContact O-CB 3.27Å; K679-T682 WeakPolarHBondContact O-CB 3.44Å; K679-T682 PolarHBondContact O-N 3.09Å; K679-T682 PolarHBondContact O-OG1 3.22Å
680	D	92.2	Very high	90.1	Very high	34 Å²	34	25.2 Å²	25.2	18%	0.182	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.5	178.9	-61.6	-39.9	0	0	0	112.4	F666 S668 S674 D675 T682	F666-D680 VanDerWaalsContact O-CA 3.26Å; F666-D680 WeakPolarHBondContact O-CA 3.25Å; S668-D680 WeakPolarHBondContact CB-OD1 3.32Å; S668-D680 PolarHBondContact N-OD1 3.07Å; S668-D680 PolarHBondContact OG-OD1 3.16Å; S674-D680 WeakPolarHBondContact CA-OD2 3.42Å; D675-D680 PolarHBondContact N-OD2 3.38Å; D675-D680 PolarHBondContact OD1-N 3.29Å; D675-D680 VanDerWaalsContact OD1-N 3.08Å; D680-T682 VanDerWaalsContact C-N 3.25Å; D680-T682 PolarHBondContact O-N 2.97Å
681	A	91	Very high	90	Very high	28 Å²	28	20.9 Å²	20.9	23%	0.231	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.4	172.5	0	0	0	0	0	113.9	Y436 H583 K679 H683	Y436-A681 HydrophobicContact CD1-CB 4.18Å; Y436-A681 WeakPolarHBondContact CD1-O 3.24Å; H583-A681 HydrophobicContact CB-CB 4.17Å; K679-A681 PolarHBondContact O-N 2.93Å; A681-H683 PolarHBondContact O-N 2.86Å
682	T	91.9	Very high	89.8	Confident	6 Å²	6	22.5 Å²	22.5	4%	0.037	13%	0.127	C	C	.	.			trans	-67.8	121.1	-179.9	-53.7	0	0	0	0	110.1	E434 F666 K679 D680 C684	E434-T682 HydrophobicContact CB-CG2 3.95Å; E434-T682 HydrophobicContact CG-CG2 4Å; E434-T682 PolarHBondContact OE2-OG1 3.41Å; E434-T682 VanDerWaalsContact OE2-OG1 3.05Å; F666-T682 WeakPolarHBondContact CB-O 3.46Å; F666-T682 HydrophobicContact CD1-CG2 3.7Å; F666-T682 HydrophobicContact CD2-CG2 4.18Å; F666-T682 WeakPolarHBondContact CD2-O 3.4Å; F666-T682 HydrophobicContact CE1-CG2 3.54Å; F666-T682 HydrophobicContact CE2-CG2 4.04Å; F666-T682 HydrophobicContact CG-CG2 4.03Å; F666-T682 WeakPolarHBondContact CG-O 3.5Å; F666-T682 HydrophobicContact CZ-CG2 3.72Å; K679-T682 VanDerWaalsContact O-CB 3.27Å; K679-T682 WeakPolarHBondContact O-CB 3.44Å; K679-T682 PolarHBondContact O-N 3.09Å; K679-T682 PolarHBondContact O-OG1 3.22Å; D680-T682 VanDerWaalsContact C-N 3.25Å; D680-T682 PolarHBondContact O-N 2.97Å; T682-C684 WeakPolarHBondContact CG2-O 3.3Å
683	H	88.5	Confident	90.2	Very high	111 Å²	111	22 Å²	22	51%	0.514	11%	0.112	S	C	.	.			trans	-89	-41.3	171.9	-74	-81.3	0	0	0	111.6	Y435 G437 C440 A681	Y435-H683 PolarHBondContact O-N 2.88Å; G437-H683 PolarHBondContact O-CD2 2.98Å; C440-H683 VanDerWaalsContact SG-C 3.59Å; C440-H683 WeakPolarHBondContact SG-CB 3.29Å; A681-H683 PolarHBondContact O-N 2.86Å
684	C	89.8	Confident	90.4	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.034	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	176.1	177	56.1	0	0	0	0	111.6	Y435 C440 T682	Y435-C684 WeakPolarHBondContact CB-O 3.44Å; Y435-C684 PolarHBondContact N-O 3.36Å; C440-C684 HydrophobicContact CB-CB 3.75Å; C440-C684 WeakPolarHBondContact CB-SG 3.45Å; C440-C684 WeakPolarHBondContact SG-CB 3.36Å; C440-C684 PolarHBondContact SG-N 3.26Å; C440-C684 CovalentContact SG-SG 2.04Å; C440-C684 PolarHBondContact SG-SG 2.91Å; T682-C684 WeakPolarHBondContact CG2-O 3.3Å
685	F	91.1	Very high	90.4	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.013	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.2	169.1	-63.9	-47.5	0	0	0	110.9	V432 T433 E434 I634 L648 M649 Q652 L665 F666 F678	V432-F685 HydrophobicContact CB-CB 3.98Å; V432-F685 HydrophobicContact CB-CG 4.43Å; V432-F685 HydrophobicContact CG1-CB 4.37Å; V432-F685 HydrophobicContact CG2-CB 3.96Å; V432-F685 HydrophobicContact CG2-CD1 3.85Å; V432-F685 HydrophobicContact CG2-CD2 4.48Å; V432-F685 HydrophobicContact CG2-CG 3.85Å; T433-F685 WeakPolarHBondContact O-CA 3.49Å; E434-F685 HydrophobicContact CG-CE1 4.23Å; I634-F685 HydrophobicContact CD1-CD1 4.19Å; I634-F685 HydrophobicContact CD1-CE1 3.88Å; L648-F685 HydrophobicContact CB-CD2 4.27Å; L648-F685 HydrophobicContact CB-CE2 4.35Å; L648-F685 HydrophobicContact CD2-CE2 4.03Å; L648-F685 HydrophobicContact CD2-CZ 4.34Å; M649-F685 HydrophobicContact CE-CB 3.69Å; M649-F685 HydrophobicContact CE-CD2 4.22Å; M649-F685 HydrophobicContact CE-CG 4.4Å; Q652-F685 HydrophobicContact CB-CD2 4.35Å; L665-F685 HydrophobicContact CD2-CE2 3.92Å; L665-F685 HydrophobicContact CD2-CZ 4.18Å; F666-F685 AromaticContact CE1-CE1 3.91Å; F666-F685 HydrophobicContact CE1-CE1 3.91Å; F666-F685 HydrophobicContact CE1-CE2 4.07Å; F666-F685 AromaticContact CE1-CZ 3.57Å; F666-F685 HydrophobicContact CE1-CZ 3.57Å; F666-F685 HydrophobicContact CZ-CD2 4.36Å; F666-F685 HydrophobicContact CZ-CE1 4.24Å; F666-F685 AromaticContact CZ-CE2 3.98Å; F666-F685 HydrophobicContact CZ-CE2 3.98Å; F666-F685 AromaticContact CZ-CZ 3.91Å; F666-F685 HydrophobicContact CZ-CZ 3.91Å; F678-F685 AromaticContact CD1-CE1 3.84Å; F678-F685 HydrophobicContact CD1-CE1 3.84Å; F678-F685 AromaticContact CD1-CZ 3.86Å; F678-F685 HydrophobicContact CD1-CZ 3.86Å; F678-F685 AromaticContact CE1-CE1 3.78Å; F678-F685 HydrophobicContact CE1-CE1 3.78Å; F678-F685 AromaticContact CE1-CZ 3.5Å; F678-F685 HydrophobicContact CE1-CZ 3.5Å; F678-F685 HydrophobicContact CE2-CZ 4.36Å; F678-F685 HydrophobicContact CG-CZ 4.42Å; F678-F685 HydrophobicContact CZ-CE1 4.5Å; F678-F685 AromaticContact CZ-CZ 3.78Å; F678-F685 HydrophobicContact CZ-CZ 3.78Å
686	V	88.9	Confident	90.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.8	169.9	171.6	0	0	0	0	109.1	V432 T433 Y435 L449 T451 L454 T688	V432-V686 CarbonylContact C-O 3.56Å; V432-V686 WeakPolarHBondContact CA-O 3.44Å; V432-V686 VanDerWaalsContact CB-O 3.27Å; V432-V686 WeakPolarHBondContact CB-O 3.36Å; T433-V686 PolarHBondContact N-O 3.28Å; T433-V686 PolarHBondContact O-N 2.95Å; Y435-V686 HydrophobicContact CD2-CG2 3.78Å; Y435-V686 HydrophobicContact CG-CG2 3.88Å; L449-V686 HydrophobicContact CD2-CG2 3.72Å; L449-V686 HydrophobicContact CG-CG2 4.03Å; T451-V686 HydrophobicContact CG2-CG1 3.83Å; T451-V686 HydrophobicContact CG2-CG2 3.82Å; L454-V686 HydrophobicContact CD2-CB 4.3Å; L454-V686 HydrophobicContact CD2-CG1 4.14Å; V686-T688 HydrophobicContact CG1-CG2 4.06Å; V686-T688 PolarHBondContact O-N 3.48Å
687	H	87.8	Confident	90.3	Very high	11 Å²	11	29 Å²	29	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117	177.9	-179.4	-144.5	0	0	0	110.9	L449 E450 Y645 S689 H690	L449-H687 PolarHBondContact O-N 3.01Å; E450-H687 HydrophobicContact CG-CB 4.22Å; E450-H687 IonicContact OE1-CE1 3.02Å; E450-H687 IonicContact OE1-CG 3.44Å; E450-H687 IonicContact OE1-ND1 3.01Å; E450-H687 PolarHBondContact OE1-ND1 3.34Å; Y645-H687 AromaticContact CD2-CD2 3.43Å; Y645-H687 VanDerWaalsContact CD2-CD2 3.43Å; Y645-H687 WeakPolarHBondContact CD2-CD2 3.01Å; Y645-H687 HydrophobicContact CE2-CB 3.68Å; Y645-H687 AromaticContact CE2-CD2 3.16Å; Y645-H687 WeakPolarHBondContact CE2-CD2 3.01Å; Y645-H687 AromaticContact CE2-CG 3.46Å; Y645-H687 VanDerWaalsContact CE2-CG 3.46Å; Y645-H687 AromaticContact CE2-NE2 3.92Å; Y645-H687 AromaticContact CZ-CD2 3.85Å; Y645-H687 AromaticContact CZ-CG 3.89Å; H687-S689 PolarHBondContact CE1-OG 2.97Å; H687-S689 PolarHBondContact NE2-OG 3.16Å; H687-H690 PolarHBondContact O-CE1 2.98Å
688	T	88.1	Confident	90.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.			trans	-129.8	11.8	-174.6	55.7	0	0	0	0	114.1	V431 V432 T433 V686 H690 M691 I696	V431-T688 PolarHBondContact O-N 2.88Å; V431-T688 VanDerWaalsContact O-N 3.16Å; V432-T688 VanDerWaalsContact C-OG1 3.3Å; V432-T688 WeakPolarHBondContact CA-OG1 3.31Å; T433-T688 PolarHBondContact N-OG1 3.36Å; T433-T688 WeakPolarHBondContact OG1-CG2 3.32Å; T433-T688 PolarHBondContact OG1-OG1 2.66Å; V686-T688 HydrophobicContact CG1-CG2 4.06Å; V686-T688 PolarHBondContact O-N 3.48Å; T688-H690 PolarHBondContact O-N 2.65Å; T688-M691 HydrophobicContact CG2-SD 3.73Å; T688-M691 WeakPolarHBondContact O-CB 3.3Å; T688-M691 PolarHBondContact O-N 3.46Å; T688-I696 HydrophobicContact CG2-CD1 4.43Å
689	S	85.3	Confident	90	Very high	4 Å²	4	35 Å²	35	3%	0.028	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.4	179	74	0	0	0	0	114.6	P430 V431 H687 M691	P430-S689 WeakPolarHBondContact O-CA 3.31Å; V431-S689 PolarHBondContact O-N 3.23Å; H687-S689 PolarHBondContact CE1-OG 2.97Å; H687-S689 PolarHBondContact NE2-OG 3.16Å; S689-M691 VanDerWaalsContact C-N 3.32Å
690	H	80.4	Confident	89.9	Confident	73 Å²	73	40.3 Å²	40.3	34%	0.338	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.1	177	62	-88.6	0	0	0	112.7	H687 T688	H687-H690 PolarHBondContact O-CE1 2.98Å; T688-H690 PolarHBondContact O-N 2.65Å
691	M	84.3	Confident	90.1	Very high	27 Å²	27	39.3 Å²	39.3	13%	0.133	20%	0.203	C	C	.	.	S	Bend	trans	-89.2	158.2	-178.4	-56.7	177.7	77.4	0	0	111.7	R152 L454 T688 S689 I696	R152-M691 PolarHBondContact NH1-O 3.22Å; L454-M691 HydrophobicContact CD1-CE 4.4Å; T688-M691 HydrophobicContact CG2-SD 3.73Å; T688-M691 WeakPolarHBondContact O-CB 3.3Å; T688-M691 PolarHBondContact O-N 3.46Å; S689-M691 VanDerWaalsContact C-N 3.32Å; M691-I696 HydrophobicContact CB-CD1 4.24Å; M691-I696 HydrophobicContact CB-CG1 4.05Å; M691-I696 HydrophobicContact CE-CG1 4.26Å; M691-I696 HydrophobicContact SD-CG1 4.22Å
692	D	85.6	Confident	90.3	Very high	60 Å²	60	38.7 Å²	38.7	32%	0.321	20%	0.195	S	C	.	.			trans	-87.1	146.8	166.2	-171.4	87.5	0	0	0	110.2	R694 S695 I696	D692-R694 PolarHBondContact O-N 2.83Å; D692-R694 WeakPolarHBondContact OD2-CB 3.24Å; D692-R694 PolarHBondContact OD2-N 2.62Å; D692-S695 WeakPolarHBondContact O-CB 3.34Å; D692-S695 PolarHBondContact O-N 2.91Å; D692-I696 PolarHBondContact O-N 3.2Å; D692-I696 VanDerWaalsContact O-N 3.13Å
693	Y	91	Very high	90.5	Very high	34 Å²	34	41 Å²	41	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-30.5	178.3	68.4	-83.7	0	0	0	112.3	I696 L697 Y702	Y693-I696 PolarHBondContact O-N 2.93Å; Y693-L697 HydrophobicContact CD2-CD1 4.08Å; Y693-L697 WeakPolarHBondContact O-CB 3.26Å; Y693-L697 WeakPolarHBondContact O-CG 3.4Å; Y693-L697 PolarHBondContact O-N 2.88Å; Y693-Y702 HydrophobicContact CD2-CE2 4.41Å; Y693-Y702 HydrophobicContact CE2-CD2 4.45Å; Y693-Y702 AromaticContact CE2-CE2 3.69Å; Y693-Y702 HydrophobicContact CE2-CE2 3.69Å
694	R	93.8	Very high	90.8	Very high	100 Å²	100	37 Å²	37	38%	0.377	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-41.5	172.5	179.7	172.4	178.2	172.8	3.5	112	D692 L697 G698 E699 Y702	D692-R694 PolarHBondContact O-N 2.83Å; D692-R694 WeakPolarHBondContact OD2-CB 3.24Å; D692-R694 PolarHBondContact OD2-N 2.62Å; R694-L697 PolarHBondContact O-N 3.4Å; R694-G698 PolarHBondContact O-N 2.79Å; R694-E699 IonicContact CZ-OE1 3.28Å; R694-E699 IonicContact CZ-OE2 3.8Å; R694-E699 IonicContact NE-OE1 2.63Å; R694-E699 PolarHBondContact NE-OE1 3.12Å; R694-E699 IonicContact NE-OE2 2.9Å; R694-E699 PolarHBondContact NE-OE2 3.29Å; R694-E699 IonicContact NH2-OE1 3.25Å; R694-E699 PolarHBondContact NH2-OE1 2.99Å; R694-E699 IonicContact NH2-OE2 4Å; R694-E699 PolarHBondContact NH2-OE2 3.5Å; R694-Y702 HydrophobicContact CB-CD2 3.81Å; R694-Y702 HydrophobicContact CB-CE2 3.84Å; R694-Y702 HydrophobicContact CB-CG 4.44Å; R694-Y702 HydrophobicContact CG-CD1 4.17Å; R694-Y702 HydrophobicContact CG-CD2 3.65Å; R694-Y702 HydrophobicContact CG-CE1 4.46Å; R694-Y702 HydrophobicContact CG-CE2 3.92Å; R694-Y702 HydrophobicContact CG-CG 3.76Å
695	S	91.6	Very high	91	Very high	80 Å²	80	36.8 Å²	36.8	56%	0.559	19%	0.194	S	C	*	.	H	α-helix	trans	-65.8	-40.1	177	-56.4	0	0	0	0	111.5	D692 G698	D692-S695 WeakPolarHBondContact O-CB 3.34Å; D692-S695 PolarHBondContact O-N 2.91Å; S695-G698 PolarHBondContact O-N 2.03Å
696	I	92.5	Very high	91.2	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-42.1	176.1	-63	171.1	0	0	0	111.2	P430 T433 L454 S633 T688 M691 D692 Y693 G698	P430-I696 HydrophobicContact CB-CD1 3.55Å; P430-I696 HydrophobicContact CG-CD1 3.58Å; T433-I696 HydrophobicContact CG2-CG2 4.25Å; L454-I696 HydrophobicContact CD1-CB 4.4Å; L454-I696 HydrophobicContact CD1-CG1 4.32Å; L454-I696 HydrophobicContact CD1-CG2 3.97Å; S633-I696 WeakPolarHBondContact OG-CG2 3.16Å; T688-I696 HydrophobicContact CG2-CD1 4.43Å; M691-I696 HydrophobicContact CB-CD1 4.24Å; M691-I696 HydrophobicContact CB-CG1 4.05Å; M691-I696 HydrophobicContact CE-CG1 4.26Å; M691-I696 HydrophobicContact SD-CG1 4.22Å; D692-I696 PolarHBondContact O-N 3.2Å; D692-I696 VanDerWaalsContact O-N 3.13Å; Y693-I696 PolarHBondContact O-N 2.93Å; I696-G698 VanDerWaalsContact C-N 3.32Å
697	L	95.3	Very high	91.4	Very high	6 Å²	6	42 Å²	42	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-72.8	-25.2	179	-67.6	172.9	0	0	0	113.1	A417 T420 F421 P630 Y693 R694 F701 Y702	A417-L697 HydrophobicContact CB-CD2 3.69Å; A417-L697 WeakPolarHBondContact O-CD2 3.49Å; T420-L697 HydrophobicContact CG2-CD1 4.46Å; T420-L697 HydrophobicContact CG2-CD2 4.18Å; T420-L697 HydrophobicContact CG2-CG 4.36Å; F421-L697 HydrophobicContact CB-CD1 3.79Å; P630-L697 HydrophobicContact CB-CD2 4.17Å; P630-L697 HydrophobicContact CG-CD2 4.34Å; P630-L697 WeakPolarHBondContact CG-O 3.47Å; Y693-L697 HydrophobicContact CD2-CD1 4.08Å; Y693-L697 WeakPolarHBondContact O-CB 3.26Å; Y693-L697 WeakPolarHBondContact O-CG 3.4Å; Y693-L697 PolarHBondContact O-N 2.88Å; R694-L697 PolarHBondContact O-N 3.4Å; L697-F701 HydrophobicContact CB-CD1 4.44Å; L697-F701 HydrophobicContact CD2-CD1 4.25Å; L697-F701 HydrophobicContact CD2-CE1 4.35Å; L697-F701 WeakPolarHBondContact O-CB 3.27Å; L697-Y702 HydrophobicContact CD1-CD2 4.3Å
698	G	93.8	Very high	91.6	Very high	30 Å²	30	41.6 Å²	41.6	31%	0.309	23%	0.227	S	C	.	.			trans	75.6	150.2	-171.3	0	0	0	0	0	113.1	R694 S695 I696 E700 F701 Y702	R694-G698 PolarHBondContact O-N 2.79Å; S695-G698 PolarHBondContact O-N 2.03Å; I696-G698 VanDerWaalsContact C-N 3.32Å; G698-E700 PolarHBondContact O-N 2.89Å; G698-F701 PolarHBondContact O-N 2.88Å; G698-Y702 VanDerWaalsContact O-CB 3.29Å; G698-Y702 WeakPolarHBondContact O-CB 3.42Å; G698-Y702 PolarHBondContact O-N 2.93Å
699	E	93.1	Very high	91.9	Very high	105 Å²	105	42.4 Å²	42.4	49%	0.491	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-39.5	-173	-74	-59.9	140.9	0	0	113.9	R694 A703	R694-E699 IonicContact CZ-OE1 3.28Å; R694-E699 IonicContact CZ-OE2 3.8Å; R694-E699 IonicContact NE-OE1 2.63Å; R694-E699 PolarHBondContact NE-OE1 3.12Å; R694-E699 IonicContact NE-OE2 2.9Å; R694-E699 PolarHBondContact NE-OE2 3.29Å; R694-E699 IonicContact NH2-OE1 3.25Å; R694-E699 PolarHBondContact NH2-OE1 2.99Å; R694-E699 IonicContact NH2-OE2 4Å; R694-E699 PolarHBondContact NH2-OE2 3.5Å; E699-A703 WeakPolarHBondContact O-CB 3.28Å; E699-A703 PolarHBondContact O-N 3.08Å
700	E	93.3	Very high	92.2	Very high	121 Å²	121	49.5 Å²	49.5	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-65.7	-49.1	-177.5	-166.4	-167.4	154.3	0	0	111.7	R496 G698 H704	R496-E700 IonicContact CZ-OE1 2.94Å; R496-E700 VanDerWaalsContact CZ-OE1 3.25Å; R496-E700 IonicContact NH1-OE1 3.92Å; R496-E700 PolarHBondContact NH1-OE1 3.33Å; R496-E700 IonicContact NH2-OE1 3.01Å; R496-E700 PolarHBondContact NH2-OE1 3.19Å; G698-E700 PolarHBondContact O-N 2.89Å; E700-H704 WeakPolarHBondContact O-CB 3.21Å; E700-H704 PolarHBondContact O-N 3.15Å; E700-H704 VanDerWaalsContact O-N 3.15Å
701	F	95.4	Very high	92.6	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-43.7	178.7	-171.7	-84.2	0	0	0	110.9	A417 P488 L492 P630 L697 G698 A703 H704 A705	A417-F701 HydrophobicContact CB-CD1 4.3Å; A417-F701 HydrophobicContact CB-CE1 3.59Å; A417-F701 HydrophobicContact CB-CE2 4.19Å; A417-F701 HydrophobicContact CB-CZ 3.52Å; P488-F701 HydrophobicContact CB-CE2 4.05Å; P488-F701 HydrophobicContact CB-CZ 4.04Å; P488-F701 HydrophobicContact CG-CZ 4.36Å; L492-F701 HydrophobicContact CD2-CE1 4.02Å; L492-F701 HydrophobicContact CD2-CE2 3.88Å; L492-F701 HydrophobicContact CD2-CZ 3.53Å; P630-F701 VanDerWaalsContact CD-CD2 3.48Å; P630-F701 HydrophobicContact CG-CB 3.96Å; P630-F701 HydrophobicContact CG-CD1 4.14Å; P630-F701 HydrophobicContact CG-CD2 4.01Å; P630-F701 HydrophobicContact CG-CG 3.76Å; L697-F701 HydrophobicContact CB-CD1 4.44Å; L697-F701 HydrophobicContact CD2-CD1 4.25Å; L697-F701 HydrophobicContact CD2-CE1 4.35Å; L697-F701 WeakPolarHBondContact O-CB 3.27Å; G698-F701 PolarHBondContact O-N 2.88Å; F701-A703 PolarHBondContact O-N 3.45Å; F701-H704 PolarHBondContact O-N 2.72Å; F701-A705 HydrophobicContact CE1-CB 4.47Å; F701-A705 WeakPolarHBondContact O-CB 3.41Å; F701-A705 PolarHBondContact O-N 3.44Å
702	Y	96.1	Very high	92.9	Very high	16 Å²	16	47.6 Å²	47.6	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-49.3	178	-176.1	-85.1	0	0	0	112.1	F421 K425 Y693 R694 L697 G698 H704 A705 E706	F421-Y702 AromaticContact CD2-CD2 3.84Å; F421-Y702 HydrophobicContact CD2-CD2 3.84Å; F421-Y702 AromaticContact CD2-CE2 3.81Å; F421-Y702 HydrophobicContact CD2-CE2 3.81Å; F421-Y702 HydrophobicContact CE2-CD2 4.11Å; F421-Y702 HydrophobicContact CE2-CE1 4.48Å; F421-Y702 AromaticContact CE2-CE2 3.83Å; F421-Y702 HydrophobicContact CE2-CE2 3.83Å; K425-Y702 PolarHBondContact NZ-OH 2.9Å; Y693-Y702 HydrophobicContact CD2-CE2 4.41Å; Y693-Y702 HydrophobicContact CE2-CD2 4.45Å; Y693-Y702 AromaticContact CE2-CE2 3.69Å; Y693-Y702 HydrophobicContact CE2-CE2 3.69Å; R694-Y702 HydrophobicContact CB-CD2 3.81Å; R694-Y702 HydrophobicContact CB-CE2 3.84Å; R694-Y702 HydrophobicContact CB-CG 4.44Å; R694-Y702 HydrophobicContact CG-CD1 4.17Å; R694-Y702 HydrophobicContact CG-CD2 3.65Å; R694-Y702 HydrophobicContact CG-CE1 4.46Å; R694-Y702 HydrophobicContact CG-CE2 3.92Å; R694-Y702 HydrophobicContact CG-CG 3.76Å; L697-Y702 HydrophobicContact CD1-CD2 4.3Å; G698-Y702 VanDerWaalsContact O-CB 3.29Å; G698-Y702 WeakPolarHBondContact O-CB 3.42Å; G698-Y702 PolarHBondContact O-N 2.93Å; Y702-H704 VanDerWaalsContact C-N 3.29Å; Y702-H704 PolarHBondContact O-N 3.23Å; Y702-A705 PolarHBondContact O-N 3.27Å; Y702-E706 HydrophobicContact CE1-CB 4.46Å; Y702-E706 WeakPolarHBondContact O-CB 3.33Å; Y702-E706 PolarHBondContact O-N 2.82Å
703	A	95.4	Very high	93.1	Very high	53 Å²	53	50.9 Å²	50.9	44%	0.438	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-38.9	-179.4	0	0	0	0	0	111.6	E699 F701 A707	E699-A703 WeakPolarHBondContact O-CB 3.28Å; E699-A703 PolarHBondContact O-N 3.08Å; F701-A703 PolarHBondContact O-N 3.45Å; A703-A707 WeakPolarHBondContact O-CB 3.46Å; A703-A707 PolarHBondContact O-N 2.74Å
704	H	93.6	Very high	93	Very high	29 Å²	29	49.6 Å²	49.6	13%	0.134	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-47.9	176.5	-175.5	54.9	0	0	0	112.2	L492 Y495 R496 E700 F701 Y702 E706 A707 V708	L492-H704 PolarHBondContact O-NE2 2.93Å; L492-H704 VanDerWaalsContact O-NE2 3.1Å; Y495-H704 AromaticContact CD1-CE1 3.95Å; R496-H704 WeakPolarHBondContact CG-CE1 3.38Å; R496-H704 WeakPolarHBondContact CG-NE2 3.47Å; E700-H704 WeakPolarHBondContact O-CB 3.21Å; E700-H704 PolarHBondContact O-N 3.15Å; E700-H704 VanDerWaalsContact O-N 3.15Å; F701-H704 PolarHBondContact O-N 2.72Å; Y702-H704 VanDerWaalsContact C-N 3.29Å; Y702-H704 PolarHBondContact O-N 3.23Å; H704-E706 VanDerWaalsContact C-N 3.31Å; H704-E706 PolarHBondContact O-N 3.33Å; H704-A707 PolarHBondContact O-N 3.21Å; H704-V708 WeakPolarHBondContact O-CG2 3.06Å; H704-V708 PolarHBondContact O-N 3.02Å
705	A	95	Very high	92.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-45.1	174.7	0	0	0	0	0	111.2	F421 L492 F701 Y702 A707 V708 F709	F421-A705 HydrophobicContact CD1-CB 4.28Å; F421-A705 HydrophobicContact CD2-CB 4.11Å; F421-A705 HydrophobicContact CE2-CB 4.34Å; F421-A705 HydrophobicContact CG-CB 4.08Å; L492-A705 HydrophobicContact CD2-CB 4.07Å; F701-A705 HydrophobicContact CE1-CB 4.47Å; F701-A705 WeakPolarHBondContact O-CB 3.41Å; F701-A705 PolarHBondContact O-N 3.44Å; Y702-A705 PolarHBondContact O-N 3.27Å; A705-A707 PolarHBondContact O-N 3.11Å; A705-V708 PolarHBondContact O-N 3.39Å; A705-F709 VanDerWaalsContact O-CD2 3.22Å; A705-F709 WeakPolarHBondContact O-CD2 3.02Å; A705-F709 PolarHBondContact O-N 3.07Å
706	E	94.8	Very high	92.7	Very high	55 Å²	55	45.5 Å²	45.5	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-41.7	178.1	-171	178.7	-104.4	0	0	112.4	F421 K425 Y702 H704 V708 K710	F421-E706 HydrophobicContact CE2-CB 4.12Å; F421-E706 HydrophobicContact CZ-CB 4.11Å; K425-E706 IonicContact NZ-OE1 3.44Å; K425-E706 PolarHBondContact NZ-OE1 3.01Å; Y702-E706 HydrophobicContact CE1-CB 4.46Å; Y702-E706 WeakPolarHBondContact O-CB 3.33Å; Y702-E706 PolarHBondContact O-N 2.82Å; H704-E706 VanDerWaalsContact C-N 3.31Å; H704-E706 PolarHBondContact O-N 3.33Å; E706-V708 VanDerWaalsContact C-N 3.33Å; E706-V708 PolarHBondContact O-N 3.02Å; E706-K710 HydrophobicContact CG-CD 4.36Å; E706-K710 WeakPolarHBondContact O-CB 3.35Å; E706-K710 VanDerWaalsContact O-CG 3.27Å; E706-K710 WeakPolarHBondContact O-CG 3Å; E706-K710 PolarHBondContact O-N 3.01Å; E706-K710 IonicContact OE2-NZ 3.8Å; E706-K710 PolarHBondContact OE2-NZ 2.72Å
707	A	92.9	Very high	92.5	Very high	56 Å²	56	46.3 Å²	46.3	46%	0.463	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-41.9	176.9	0	0	0	0	0	112	A703 H704 A705	A703-A707 WeakPolarHBondContact O-CB 3.46Å; A703-A707 PolarHBondContact O-N 2.74Å; H704-A707 PolarHBondContact O-N 3.21Å; A705-A707 PolarHBondContact O-N 3.11Å
708	V	93.2	Very high	92.2	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-48.5	178.6	168.6	0	0	0	0	111.5	W491 L492 Y495 P511 H704 A705 E706 K710 C711 T712	W491-V708 HydrophobicContact CH2-CG1 3.56Å; W491-V708 HydrophobicContact CZ3-CG1 3.75Å; L492-V708 HydrophobicContact CD1-CB 3.98Å; L492-V708 HydrophobicContact CD1-CG1 4.03Å; L492-V708 HydrophobicContact CD1-CG2 3.8Å; Y495-V708 HydrophobicContact CD1-CG2 3.86Å; Y495-V708 HydrophobicContact CE1-CG2 3.72Å; P511-V708 HydrophobicContact CG-CG1 3.65Å; H704-V708 WeakPolarHBondContact O-CG2 3.06Å; H704-V708 PolarHBondContact O-N 3.02Å; A705-V708 PolarHBondContact O-N 3.39Å; E706-V708 VanDerWaalsContact C-N 3.33Å; E706-V708 PolarHBondContact O-N 3.02Å; V708-K710 VanDerWaalsContact C-N 3.26Å; V708-K710 PolarHBondContact O-N 3.19Å; V708-C711 PolarHBondContact O-N 2.78Å; V708-T712 VanDerWaalsContact O-CB 3.29Å; V708-T712 WeakPolarHBondContact O-CB 3.45Å; V708-T712 PolarHBondContact O-N 2.77Å; V708-T712 PolarHBondContact O-OG1 3.36Å
709	F	94	Very high	91.9	Very high	18 Å²	18	51.6 Å²	51.6	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-73.5	-13.4	-178.8	-76.1	-66.4	0	0	0	114.2	T418 F421 L422 Y486 W491 A705 C711 L717	T418-F709 HydrophobicContact CG2-CE2 3.66Å; T418-F709 HydrophobicContact CG2-CZ 3.86Å; F421-F709 AromaticContact CD1-CD2 3.83Å; F421-F709 HydrophobicContact CD1-CD2 3.83Å; F421-F709 HydrophobicContact CD1-CE2 4.06Å; F421-F709 HydrophobicContact CE1-CB 4.25Å; F421-F709 AromaticContact CE1-CD2 3.5Å; F421-F709 HydrophobicContact CE1-CD2 3.5Å; F421-F709 VanDerWaalsContact CE1-CD2 3.5Å; F421-F709 HydrophobicContact CE1-CE2 4.19Å; F421-F709 HydrophobicContact CE1-CG 4.14Å; F421-F709 HydrophobicContact CZ-CD2 4.46Å; L422-F709 HydrophobicContact CD1-CZ 4.14Å; L422-F709 HydrophobicContact CD2-CD1 4.28Å; L422-F709 HydrophobicContact CD2-CD2 4.37Å; L422-F709 HydrophobicContact CD2-CE1 3.95Å; L422-F709 HydrophobicContact CD2-CE2 4.04Å; L422-F709 HydrophobicContact CD2-CG 4.49Å; L422-F709 HydrophobicContact CD2-CZ 3.83Å; L422-F709 HydrophobicContact CG-CE2 4.4Å; L422-F709 HydrophobicContact CG-CZ 4.2Å; Y486-F709 AromaticContact CD1-CE1 4Å; Y486-F709 HydrophobicContact CD1-CE1 4Å; Y486-F709 AromaticContact CD1-CZ 3.81Å; Y486-F709 HydrophobicContact CD1-CZ 3.81Å; Y486-F709 AromaticContact CE1-CE1 3.7Å; Y486-F709 HydrophobicContact CE1-CE1 3.7Å; Y486-F709 HydrophobicContact CE1-CZ 4.02Å; Y486-F709 HydrophobicContact CG-CZ 4.2Å; W491-F709 HydrophobicContact CZ3-CZ 4.44Å; A705-F709 VanDerWaalsContact O-CD2 3.22Å; A705-F709 WeakPolarHBondContact O-CD2 3.02Å; A705-F709 PolarHBondContact O-N 3.07Å; F709-C711 PolarHBondContact O-N 3.3Å; F709-L717 HydrophobicContact CB-CD1 3.86Å; F709-L717 HydrophobicContact CD1-CD1 3.89Å; F709-L717 HydrophobicContact CG-CD1 4Å
710	K	91.6	Very high	91.6	Very high	152 Å²	152	47.4 Å²	47.4	66%	0.661	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.2	169.7	-87.7	168.5	-178.9	156.8	0	113.2	E706 V708	E706-K710 HydrophobicContact CG-CD 4.36Å; E706-K710 WeakPolarHBondContact O-CB 3.35Å; E706-K710 VanDerWaalsContact O-CG 3.27Å; E706-K710 WeakPolarHBondContact O-CG 3Å; E706-K710 PolarHBondContact O-N 3.01Å; E706-K710 IonicContact OE2-NZ 3.8Å; E706-K710 PolarHBondContact OE2-NZ 2.72Å; V708-K710 VanDerWaalsContact C-N 3.26Å; V708-K710 PolarHBondContact O-N 3.19Å
711	C	88.9	Confident	90.9	Very high	54 Å²	54	47 Å²	47	37%	0.365	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-1.5	-179.2	73.6	0	0	0	0	115	C509 V708 F709	C509-C711 HydrophobicContact CB-CB 4.31Å; C509-C711 WeakPolarHBondContact CB-SG 3.25Å; C509-C711 WeakPolarHBondContact SG-CB 3.33Å; C509-C711 CovalentContact SG-SG 2.01Å; C509-C711 PolarHBondContact SG-SG 3.17Å; V708-C711 PolarHBondContact O-N 2.78Å; F709-C711 PolarHBondContact O-N 3.3Å
712	T	89.9	Confident	89.9	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.043	28%	0.276	C	S	.	.	S	Bend	trans	-94.5	124.5	170.7	-53.9	0	0	0	0	109.3	W491 P511 V708 S714	W491-T712 HydrophobicContact CH2-CG2 4.13Å; W491-T712 HydrophobicContact CZ2-CG2 4.17Å; P511-T712 WeakPolarHBondContact CD-OG1 3.37Å; V708-T712 VanDerWaalsContact O-CB 3.29Å; V708-T712 WeakPolarHBondContact O-CB 3.45Å; V708-T712 PolarHBondContact O-N 2.77Å; V708-T712 PolarHBondContact O-OG1 3.36Å; T712-S714 PolarHBondContact O-N 2.95Å
713	H	89.6	Confident	88.3	Confident	129 Å²	129	53.8 Å²	53.8	60%	0.597	28%	0.284	S	S	*	.			trans	-63.7	134.4	175.1	-175.7	-97.8	0	0	0	111.1	Y486 D715	Y486-H713 PolarHBondContact OH-O 3.24Å; H713-D715 IonicContact CE1-OD1 2.73Å; H713-D715 PolarHBondContact CE1-OD1 2.03Å; H713-D715 IonicContact ND1-OD1 3.35Å; H713-D715 PolarHBondContact ND1-OD1 3.34Å; H713-D715 VanDerWaalsContact ND1-OD1 3.11Å
714	S	88.8	Confident	87.1	Confident	7 Å²	7	52.6 Å²	52.6	5%	0.049	27%	0.271	C	S	.	.			trans	-146	104.7	-178.2	-179.6	0	0	0	0	110.6	T712 I716 L717 E718	T712-S714 PolarHBondContact O-N 2.95Å; S714-I716 PolarHBondContact O-N 3.22Å; S714-I716 VanDerWaalsContact O-N 3.16Å; S714-I716 WeakPolarHBondContact OG-CG2 3.45Å; S714-L717 PolarHBondContact O-N 3.15Å; S714-E718 PolarHBondContact O-N 3.43Å
715	D	88.8	Confident	85.8	Confident	93 Å²	93	51.9 Å²	51.9	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-54.9	-34.9	-179.1	-51.4	1	0	0	0	111.8	H713 E718 F719	H713-D715 IonicContact CE1-OD1 2.73Å; H713-D715 PolarHBondContact CE1-OD1 2.03Å; H713-D715 IonicContact ND1-OD1 3.35Å; H713-D715 PolarHBondContact ND1-OD1 3.34Å; H713-D715 VanDerWaalsContact ND1-OD1 3.11Å; D715-E718 PolarHBondContact O-N 2.85Å; D715-F719 WeakPolarHBondContact O-CB 3.29Å; D715-F719 PolarHBondContact O-N 2.84Å
716	I	90.4	Very high	83.9	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-67.5	-38.7	177.7	-177.6	65.1	0	0	0	111.9	R399 I402 E403 L422 S714 F719 C720	R399-I716 HydrophobicContact CG-CB 4.43Å; R399-I716 HydrophobicContact CG-CG2 4.2Å; I402-I716 HydrophobicContact CB-CD1 4.19Å; I402-I716 HydrophobicContact CG2-CD1 3.99Å; I402-I716 HydrophobicContact CG2-CG1 4.39Å; E403-I716 HydrophobicContact CG-CD1 3.44Å; E403-I716 VanDerWaalsContact CG-CD1 3.44Å; L422-I716 HydrophobicContact CD1-CG2 4.1Å; L422-I716 HydrophobicContact CD2-CG2 4.29Å; S714-I716 PolarHBondContact O-N 3.22Å; S714-I716 VanDerWaalsContact O-N 3.16Å; S714-I716 WeakPolarHBondContact OG-CG2 3.45Å; I716-F719 HydrophobicContact CD1-CD1 4.15Å; I716-F719 PolarHBondContact O-N 2.8Å; I716-C720 VanDerWaalsContact O-CB 3.32Å; I716-C720 WeakPolarHBondContact O-CB 3.14Å; I716-C720 PolarHBondContact O-N 3.39Å; I716-C720 PolarHBondContact O-SG 3.08Å
717	L	89.2	Confident	81.9	Confident	24 Å²	24	57 Å²	57	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-70.4	-36.5	174.9	-70.4	178.5	0	0	0	111.1	L422 K425 F709 S714 C720 N721	L422-L717 HydrophobicContact CD2-CD1 3.89Å; L422-L717 HydrophobicContact CD2-CD2 3.65Å; L422-L717 HydrophobicContact CD2-CG 3.64Å; K425-L717 HydrophobicContact CB-CD2 3.82Å; K425-L717 HydrophobicContact CG-CD2 4.37Å; F709-L717 HydrophobicContact CB-CD1 3.86Å; F709-L717 HydrophobicContact CD1-CD1 3.89Å; F709-L717 HydrophobicContact CG-CD1 4Å; S714-L717 PolarHBondContact O-N 3.15Å; L717-C720 PolarHBondContact O-N 3.1Å; L717-N721 VanDerWaalsContact O-CB 3.25Å; L717-N721 WeakPolarHBondContact O-CB 3.09Å; L717-N721 PolarHBondContact O-N 3.38Å; L717-N721 PolarHBondContact O-ND2 3.09Å
718	E	88.4	Confident	79.7	Confident	117 Å²	117	59.9 Å²	59.9	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-50	172.5	-171.7	-177.4	-179.5	0	0	110.8	S714 D715 C720 N721 Q722	S714-E718 PolarHBondContact O-N 3.43Å; D715-E718 PolarHBondContact O-N 2.85Å; E718-C720 VanDerWaalsContact C-N 3.33Å; E718-C720 PolarHBondContact O-N 3.13Å; E718-N721 PolarHBondContact O-N 2.94Å; E718-Q722 WeakPolarHBondContact O-CG 3.23Å; E718-Q722 PolarHBondContact O-N 2.78Å
719	F	88.6	Confident	79	Confident	30 Å²	30	62.8 Å²	62.8	13%	0.132	33%	0.325	C	S	.	.	H	α-helix	trans	-55.3	-46.8	174.7	169.9	-101.9	0	0	0	111.9	L344 E403 K406 R407 D715 I716 N721 Q722	L344-F719 HydrophobicContact CD1-CE2 4.16Å; L344-F719 HydrophobicContact CD1-CZ 3.74Å; E403-F719 HydrophobicContact CB-CE1 4.22Å; E403-F719 HydrophobicContact CG-CD1 3.91Å; E403-F719 HydrophobicContact CG-CE1 3.96Å; E403-F719 HydrophobicContact CG-CG 4.45Å; K406-F719 HydrophobicContact CB-CE1 3.76Å; K406-F719 HydrophobicContact CB-CZ 4.06Å; K406-F719 HydrophobicContact CD-CE1 4.14Å; K406-F719 HydrophobicContact CG-CE1 3.94Å; R407-F719 HydrophobicContact CG-CZ 4.43Å; D715-F719 WeakPolarHBondContact O-CB 3.29Å; D715-F719 PolarHBondContact O-N 2.84Å; I716-F719 HydrophobicContact CD1-CD1 4.15Å; I716-F719 PolarHBondContact O-N 2.8Å; F719-N721 VanDerWaalsContact C-N 3.31Å; F719-N721 PolarHBondContact O-N 3.47Å; F719-Q722 WeakPolarHBondContact O-CB 3.45Å; F719-Q722 PolarHBondContact O-N 2.7Å
720	C	85.1	Confident	78.2	Confident	17 Å²	17	65.1 Å²	65.1	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-71.2	-25.6	-178	-70.1	0	0	0	0	114.1	C426 I716 L717 E718 Q722	C426-C720 HydrophobicContact CB-CB 3.78Å; C426-C720 WeakPolarHBondContact CB-SG 3.41Å; C426-C720 WeakPolarHBondContact SG-CB 3.5Å; C426-C720 CovalentContact SG-SG 2Å; C426-C720 PolarHBondContact SG-SG 3Å; I716-C720 VanDerWaalsContact O-CB 3.32Å; I716-C720 WeakPolarHBondContact O-CB 3.14Å; I716-C720 PolarHBondContact O-N 3.39Å; I716-C720 PolarHBondContact O-SG 3.08Å; L717-C720 PolarHBondContact O-N 3.1Å; E718-C720 VanDerWaalsContact C-N 3.33Å; E718-C720 PolarHBondContact O-N 3.13Å; C720-Q722 VanDerWaalsContact C-N 3.33Å
721	N	79.6	Confident	77.5	Confident	114 Å²	114	60.3 Å²	60.3	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1	175.9	-70.3	-31.5	0	0	0	113.4	L717 E718 F719 D723	L717-N721 VanDerWaalsContact O-CB 3.25Å; L717-N721 WeakPolarHBondContact O-CB 3.09Å; L717-N721 PolarHBondContact O-N 3.38Å; L717-N721 PolarHBondContact O-ND2 3.09Å; E718-N721 PolarHBondContact O-N 2.94Å; F719-N721 VanDerWaalsContact C-N 3.31Å; F719-N721 PolarHBondContact O-N 3.47Å; N721-D723 PolarHBondContact O-N 3.25Å
722	Q	73.6	Confident	76.8	Confident	128 Å²	128	60.6 Å²	60.6	60%	0.598	32%	0.318	S	S	*	.			trans	-65.3	93.8	174.9	-71.2	-178.8	1.2	0	0	110.5	E718 F719 C720 V724	E718-Q722 WeakPolarHBondContact O-CG 3.23Å; E718-Q722 PolarHBondContact O-N 2.78Å; F719-Q722 WeakPolarHBondContact O-CB 3.45Å; F719-Q722 PolarHBondContact O-N 2.7Å; C720-Q722 VanDerWaalsContact C-N 3.33Å; Q722-V724 PolarHBondContact O-N 3.28Å
723	D	64	Low	76	Confident	43 Å²	43	64 Å²	64	23%	0.23	34%	0.335	C	S	.	.			trans	-87.3	108.6	-174.2	-173.5	11.4	0	0	0	111.8	R270 N721 C725 S726 T727	R270-D723 IonicContact CZ-OD2 4Å; R270-D723 IonicContact NH1-OD1 3.74Å; R270-D723 IonicContact NH1-OD2 3.96Å; R270-D723 PolarHBondContact NH1-OD2 3.29Å; R270-D723 IonicContact NH2-OD2 2.87Å; R270-D723 PolarHBondContact NH2-OD2 3.18Å; N721-D723 PolarHBondContact O-N 3.25Å; D723-C725 PolarHBondContact O-N 2.85Å; D723-C725 VanDerWaalsContact O-N 3.13Å; D723-C725 WeakPolarHBondContact OD1-CA 3.48Å; D723-C725 WeakPolarHBondContact OD1-CB 3.48Å; D723-C725 PolarHBondContact OD1-N 3.33Å; D723-C725 PolarHBondContact OD1-SG 3.28Å; D723-S726 PolarHBondContact O-N 3.23Å; D723-S726 PolarHBondContact OD2-OG 3.4Å; D723-T727 PolarHBondContact O-N 3.1Å; D723-T727 VanDerWaalsContact O-N 3.09Å; D723-T727 PolarHBondContact O-OG1 3.21Å
724	V	68.6	Low	75.1	Confident	28 Å²	28	59.7 Å²	59.7	17%	0.17	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.2	172.8	-179.4	0	0	0	0	112.3	V341 G343 Q722	V341-V724 WeakPolarHBondContact O-CG1 3.28Å; G343-V724 VanDerWaalsContact CA-CG2 3.45Å; Q722-V724 PolarHBondContact O-N 3.28Å
725	C	66.6	Low	74.1	Confident	14 Å²	14	63.4 Å²	63.4	10%	0.095	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-21.8	174.9	-53.2	0	0	0	0	114	A108 C109 R270 D723	A108-C725 PolarHBondContact N-O 3.23Å; C109-C725 HydrophobicContact CB-CB 3.43Å; C109-C725 VanDerWaalsContact CB-CB 3.43Å; C109-C725 WeakPolarHBondContact CB-SG 3.32Å; C109-C725 WeakPolarHBondContact SG-CA 3.05Å; C109-C725 WeakPolarHBondContact SG-CB 3.46Å; C109-C725 CovalentContact SG-SG 1.99Å; C109-C725 PolarHBondContact SG-SG 2.85Å; R270-C725 VanDerWaalsContact CZ-CB 3.4Å; D723-C725 PolarHBondContact O-N 2.85Å; D723-C725 VanDerWaalsContact O-N 3.13Å; D723-C725 WeakPolarHBondContact OD1-CA 3.48Å; D723-C725 WeakPolarHBondContact OD1-CB 3.48Å; D723-C725 PolarHBondContact OD1-N 3.33Å; D723-C725 PolarHBondContact OD1-SG 3.28Å
726	S	56.3	Low	73	Confident	91 Å²	91	61.2 Å²	61.2	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-16.4	-180	-60.2	0	0	0	0	112.3	D723	D723-S726 PolarHBondContact O-N 3.23Å; D723-S726 PolarHBondContact OD2-OG 3.4Å
727	T	51.6	Low	71.5	Confident	71 Å²	71	66.2 Å²	66.2	44%	0.436	35%	0.35	S	S	.	.			trans	-86	121.6	177.6	-43.9	0	0	0	0	108.7	D723	D723-T727 PolarHBondContact O-N 3.1Å; D723-T727 VanDerWaalsContact O-N 3.09Å; D723-T727 PolarHBondContact O-OG1 3.21Å
728	F	46.5	Very low	69.9	Low	117 Å²	117	70 Å²	70	51%	0.513	37%	0.371	S	S	.	.			trans	103.2	0	174.6	-51.1	-67.5	0	0	0	119.7	V330 M336	V330-F728 HydrophobicContact CG1-CB 3.86Å; V330-F728 HydrophobicContact CG1-CG 4.41Å; V330-F728 HydrophobicContact CG2-CB 4.39Å; M336-F728 HydrophobicContact CE-CZ 4.38Å

Retrieved 728 of 728 residues in 1127.1 ms (Link to these results)

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