A0A2K6D1Z0_MACNE Loading...

Katanin p80 WD40 repeat-containing subunit B1

Participates in a complex which severs microtubules in an ATP-dependent manner. May act to target the enzymatic subunit of this complex to sites of action such as the centrosome. Microtubule severing may promote rapid reorganization of cellular microtubule arrays and the release of microtubules from the centrosome following nucleation. Microtubule release from the mitotic spindle poles may allow depolymerization of the microtubule end proximal to the spindle pole, leading to poleward microtubule flux and poleward motion of chromosome. Microtubule release within the cell body of neurons may be required for their transport into neuronal processes by microtubule-dependent motor proteins. This transport is required for axonal growth.

AlphaFold DB , UniProt , Accession A0A2K6D1Z0, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene KATNB1, Length 655 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	69.8	Low	242 Å²	242	87.4 Å²	87.4	100%	1.192	52%	0.518	S	S	*	.				0	114.8	0	-71.6	-179.4	-176.5	0	0	106.5	T3	M1-T3 PolarHBondContact O-N 3.18Å
2	A	41	Very low	71.9	Confident	102 Å²	102	87.8 Å²	87.8	84%	0.843	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-70.1	124.3	174.3	0	0	0	0	0	107.8
3	T	43.9	Very low	73.5	Confident	121 Å²	121	83.7 Å²	83.7	74%	0.742	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-60.4	129.6	170.7	41.5	0	0	0	0	108.3	M1 V5	M1-T3 PolarHBondContact O-N 3.18Å; T3-V5 PolarHBondContact O-N 2.67Å; T3-V5 VanDerWaalsContact O-N 3.13Å
4	P	52.6	Low	74.9	Confident	117 Å²	117	79.9 Å²	79.9	76%	0.76	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-62	119.1	176.5	25.3	-31.7	0	0	0	108.5	V6	P4-V6 PolarHBondContact O-N 2.94Å
5	V	65.4	Low	76.3	Confident	104 Å²	104	81.1 Å²	81.1	63%	0.63	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-67.3	116.7	173.1	179	0	0	0	0	107	T3 T7 P407	T3-V5 PolarHBondContact O-N 2.67Å; T3-V5 VanDerWaalsContact O-N 3.13Å; V5-T7 HydrophobicContact CG1-CG2 4.33Å; V5-P407 HydrophobicContact CG1-CB 3.95Å
6	V	76.9	Confident	77.5	Confident	82 Å²	82	77.1 Å²	77.1	50%	0.497	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-75	126.6	173.4	-165.3	0	0	0	0	107.2	P4 E408	P4-V6 PolarHBondContact O-N 2.94Å; V6-E408 HydrophobicContact CB-CB 4.45Å; V6-E408 HydrophobicContact CB-CG 4.44Å; V6-E408 VanDerWaalsContact CG1-CD 3.5Å; V6-E408 HydrophobicContact CG1-CG 4.13Å; V6-E408 WeakPolarHBondContact CG1-OE2 3.42Å; V6-E408 PolarHBondContact O-N 3.13Å
7	T	81.2	Confident	78.5	Confident	28 Å²	28	78.2 Å²	78.2	17%	0.172	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-114.5	151.1	-179	62.6	0	0	0	0	110.5	V5 R304 A405 P406	V5-T7 HydrophobicContact CG1-CG2 4.33Å; T7-R304 VanDerWaalsContact O-CZ 3.3Å; T7-R304 PolarHBondContact O-NH1 3.19Å; T7-R304 PolarHBondContact OG1-NH2 3.37Å; T7-A405 HydrophobicContact CG2-CB 4.29Å; T7-P406 WeakPolarHBondContact CA-O 3.48Å; T7-P406 WeakPolarHBondContact CB-O 3.14Å
8	K	87.1	Confident	79.4	Confident	71 Å²	71	74.1 Å²	74.1	31%	0.309	42%	0.421	S	S	.	.			trans	-62.1	142.6	-177.3	-65.6	-179.7	-177.2	172.1	0	111.2	W11 P406 P407 E408 D409	K8-W11 WeakPolarHBondContact O-CZ3 3.41Å; K8-P406 HydrophobicContact CB-CG 4.42Å; K8-P406 HydrophobicContact CD-CG 4.19Å; K8-P406 PolarHBondContact N-O 3.21Å; K8-P406 VanDerWaalsContact N-O 3.07Å; K8-P407 WeakPolarHBondContact CE-O 2.95Å; K8-E408 HydrophobicContact CG-CG 3.87Å; K8-D409 IonicContact NZ-OD2 2.84Å; K8-D409 PolarHBondContact NZ-OD2 3.4Å
9	T	90.6	Very high	80.2	Confident	56 Å²	56	70.5 Å²	70.5	34%	0.344	40%	0.401	S	S	.	.	S	Bend	trans	-73.3	-34.3	175.9	50.6	0	0	0	0	112.7	V300 D301 R304	T9-V300 WeakPolarHBondContact O-CA 3.4Å; T9-D301 PolarHBondContact O-N 3.17Å; T9-R304 HydrophobicContact CG2-CB 3.98Å
10	A	94.1	Very high	80.8	Confident	15 Å²	15	72.4 Å²	72.4	12%	0.124	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.3	176.5	0	0	0	0	0	110.5	V268 V270 V299 V300	A10-V268 HydrophobicContact CB-CG1 4.04Å; A10-V270 HydrophobicContact CB-CB 4.39Å; A10-V270 HydrophobicContact CB-CG1 4.2Å; A10-V270 HydrophobicContact CB-CG2 3.99Å; A10-V299 CarbonylContact C-O 3.52Å; A10-V299 VanDerWaalsContact CA-O 3.24Å; A10-V299 WeakPolarHBondContact CA-O 3.49Å; A10-V300 HydrophobicContact CB-CG1 4.48Å; A10-V300 HydrophobicContact CB-CG2 3.97Å
11	W	94.7	Very high	81.4	Confident	23 Å²	23	71.1 Å²	71.1	9%	0.087	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.7	177.7	62.8	99	0	0	0	111.8	K8 Y298 V299 D301 F403 A405 P406	K8-W11 WeakPolarHBondContact O-CZ3 3.41Å; W11-Y298 WeakPolarHBondContact O-CA 3.48Å; W11-V299 HydrophobicContact CD2-CB 4.3Å; W11-V299 HydrophobicContact CH2-CB 4.23Å; W11-V299 HydrophobicContact CH2-CG1 3.64Å; W11-V299 HydrophobicContact CZ2-CB 3.74Å; W11-V299 HydrophobicContact CZ2-CG1 3.47Å; W11-V299 VanDerWaalsContact CZ2-CG1 3.47Å; W11-V299 HydrophobicContact CZ3-CG1 4.35Å; W11-V299 PolarHBondContact N-O 2.81Å; W11-V299 PolarHBondContact O-N 3.05Å; W11-D301 HydrophobicContact CH2-CB 4.44Å; W11-D301 HydrophobicContact CZ3-CB 4.17Å; W11-F403 HydrophobicContact CZ2-CB 4.34Å; W11-F403 WeakPolarHBondContact CZ2-O 3.45Å; W11-A405 HydrophobicContact CE3-CB 4.23Å; W11-A405 HydrophobicContact CH2-CB 3.57Å; W11-A405 HydrophobicContact CZ2-CB 4.1Å; W11-A405 HydrophobicContact CZ3-CB 3.64Å; W11-P406 HydrophobicContact CB-CG 3.89Å; W11-P406 HydrophobicContact CD2-CG 4.31Å; W11-P406 HydrophobicContact CG-CG 3.87Å
12	K	94.7	Very high	84	Confident	92 Å²	92	63.3 Å²	63.3	40%	0.4	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	124.5	169.3	-171.1	174.8	179.2	177.1	0	108.5	E15 S296 Y298	K12-E15 IonicContact NZ-OE2 2.83Å; K12-E15 PolarHBondContact NZ-OE2 2.67Å; K12-S296 WeakPolarHBondContact CE-OG 3.44Å; K12-Y298 HydrophobicContact CB-CD1 3.82Å; K12-Y298 HydrophobicContact CB-CE1 3.61Å; K12-Y298 HydrophobicContact CD-CE1 4.08Å; K12-Y298 HydrophobicContact CG-CD1 4.13Å; K12-Y298 HydrophobicContact CG-CE1 3.73Å; K12-Y298 HydrophobicContact CG-CE2 4.49Å
13	L	92.8	Very high	86.7	Confident	35 Å²	35	58.8 Å²	58.8	18%	0.183	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-46.8	-178.8	-178.6	68	0	0	0	111.1	I50 N51 S297 V299 F403	L13-I50 HydrophobicContact CD2-CG2 3.38Å; L13-N51 HydrophobicContact CD2-CB 4.36Å; L13-S297 PolarHBondContact N-O 3.23Å; L13-V299 HydrophobicContact CB-CG2 4.06Å; L13-V299 HydrophobicContact CD2-CG2 3.9Å; L13-V299 HydrophobicContact CG-CG2 4.4Å; L13-F403 HydrophobicContact CD1-CB 4.24Å; L13-F403 HydrophobicContact CD1-CD1 3.89Å; L13-F403 HydrophobicContact CD1-CG 4.15Å; L13-F403 HydrophobicContact CD2-CD1 3.79Å; L13-F403 HydrophobicContact CD2-CD2 4.17Å; L13-F403 HydrophobicContact CD2-CE1 3.77Å; L13-F403 HydrophobicContact CD2-CE2 4.14Å; L13-F403 HydrophobicContact CD2-CG 3.99Å; L13-F403 HydrophobicContact CD2-CZ 3.93Å
14	Q	93.5	Very high	89.1	Confident	31 Å²	31	54.4 Å²	54.4	15%	0.145	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	152.2	-173.8	-168.2	-178.1	1.9	0	0	111.4	I16 N51 K52 S296 S297	Q14-I16 HydrophobicContact CG-CG2 3.99Å; Q14-N51 VanDerWaalsContact OE1-CA 3.24Å; Q14-K52 PolarHBondContact NE2-O 3.19Å; Q14-S296 WeakPolarHBondContact O-CA 3.42Å; Q14-S297 WeakPolarHBondContact CB-OG 3.42Å; Q14-S297 PolarHBondContact N-O 3.28Å; Q14-S297 PolarHBondContact N-OG 3.41Å; Q14-S297 PolarHBondContact O-N 2.96Å; Q14-S297 PolarHBondContact O-OG 3.28Å
15	E	94.7	Very high	91.1	Very high	98 Å²	98	49.3 Å²	49.3	46%	0.458	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.1	162.9	-177.2	171.1	-173.1	0	0	109.4	K12 N294 V295	K12-E15 IonicContact NZ-OE2 2.83Å; K12-E15 PolarHBondContact NZ-OE2 2.67Å; E15-N294 HydrophobicContact CG-CB 4.48Å; E15-N294 PolarHBondContact OE1-ND2 2.98Å; E15-V295 WeakPolarHBondContact CA-O 3.37Å
16	I	95.3	Very high	92.6	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.087	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.4	179.4	56	168.5	0	0	0	110.4	Q14 A18 L36 W48 N294 V295	Q14-I16 HydrophobicContact CG-CG2 3.99Å; I16-A18 PolarHBondContact O-N 3.22Å; I16-L36 HydrophobicContact CD1-CD2 4.43Å; I16-W48 HydrophobicContact CD1-CB 4.38Å; I16-W48 HydrophobicContact CD1-CD2 3.44Å; I16-W48 VanDerWaalsContact CD1-CD2 3.44Å; I16-W48 HydrophobicContact CD1-CE3 3.45Å; I16-W48 VanDerWaalsContact CD1-CE3 3.45Å; I16-W48 HydrophobicContact CD1-CG 3.85Å; I16-W48 HydrophobicContact CD1-CH2 4.38Å; I16-W48 HydrophobicContact CD1-CZ2 4.42Å; I16-W48 HydrophobicContact CD1-CZ3 3.92Å; I16-N294 CarbonylContact O-C 3.56Å; I16-N294 VanDerWaalsContact O-CA 3.29Å; I16-N294 WeakPolarHBondContact O-CA 3.36Å; I16-V295 HydrophobicContact CG1-CB 4.08Å; I16-V295 PolarHBondContact N-O 3.03Å; I16-V295 PolarHBondContact O-N 3.2Å
17	V	95.8	Very high	93.5	Very high	96 Å²	96	41.4 Å²	41.4	58%	0.582	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	104.3	166	-175.4	0	0	0	0	106.9
18	A	93.8	Very high	94.2	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.025	23%	0.23	C	C	.	.			trans	-84.3	-31.8	-169.9	0	0	0	0	0	113	I16 V23 T38 N46 W48 S293 V295	I16-A18 PolarHBondContact O-N 3.22Å; A18-V23 HydrophobicContact CB-CG2 4.07Å; A18-T38 HydrophobicContact CB-CG2 4.16Å; A18-N46 PolarHBondContact O-ND2 3.14Å; A18-W48 VanDerWaalsContact CA-CZ2 3.47Å; A18-W48 HydrophobicContact CB-CZ2 3.99Å; A18-W48 VanDerWaalsContact O-CZ2 3.27Å; A18-W48 WeakPolarHBondContact O-CZ2 3.39Å; A18-S293 PolarHBondContact N-O 3.29Å; A18-V295 HydrophobicContact CB-CB 4.32Å; A18-V295 HydrophobicContact CB-CG2 3.57Å
19	H	95.3	Very high	94.5	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.032	22%	0.215	C	C	.	.			trans	-140.4	157.9	-177.2	-71.4	-94.6	0	0	0	110.3	S21 T38 G40 D42 R44 N46 S293	H19-S21 VanDerWaalsContact CB-O 3.31Å; H19-S21 WeakPolarHBondContact CB-O 3.28Å; H19-S21 PolarHBondContact O-N 3.46Å; H19-T38 PolarHBondContact CD2-OG1 2.82Å; H19-T38 WeakPolarHBondContact NE2-CB 3.5Å; H19-T38 PolarHBondContact NE2-O 3.42Å; H19-T38 PolarHBondContact NE2-OG1 3.27Å; H19-G40 PolarHBondContact CE1-N 3.07Å; H19-D42 IonicContact CE1-OD1 2.94Å; H19-D42 IonicContact CG-OD1 3.6Å; H19-D42 IonicContact CG-OD2 3.16Å; H19-D42 VanDerWaalsContact ND1-CG 3.26Å; H19-D42 IonicContact ND1-OD1 2.84Å; H19-D42 PolarHBondContact ND1-OD1 3.06Å; H19-D42 IonicContact ND1-OD2 3.53Å; H19-D42 PolarHBondContact ND1-OD2 3.2Å; H19-R44 PolarHBondContact CE1-O 3.47Å; H19-N46 PolarHBondContact CE1-ND2 3.16Å; H19-N46 VanDerWaalsContact CE1-ND2 3.35Å; H19-N46 PolarHBondContact ND1-ND2 3.37Å; H19-S293 VanDerWaalsContact O-CB 3.24Å; H19-S293 WeakPolarHBondContact O-CB 3.37Å
20	A	91.1	Very high	94.4	Very high	107 Å²	107	37.4 Å²	37.4	88%	0.884	21%	0.213	S	C	*	.	S	Bend	trans	-72.8	-20.3	171.6	0	0	0	0	0	112.1
21	S	94.7	Very high	94	Very high	46 Å²	46	40.1 Å²	40.1	32%	0.322	24%	0.236	S	C	.	.	S	Bend	trans	-114.9	-173.4	173.8	-162.4	0	0	0	0	110.4	H19 D41 S293	H19-S21 VanDerWaalsContact CB-O 3.31Å; H19-S21 WeakPolarHBondContact CB-O 3.28Å; H19-S21 PolarHBondContact O-N 3.46Å; S21-D41 WeakPolarHBondContact OG-CB 3.37Å; S21-S293 WeakPolarHBondContact O-CA 3.48Å; S21-S293 WeakPolarHBondContact O-CB 3.45Å
22	N	95.9	Very high	93.6	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	24%	0.243	S	C	.	.			trans	-62.9	142.9	176.9	-65.4	-30	0	0	0	111.6	G40 D41 Q292	N22-G40 WeakPolarHBondContact O-CA 3.29Å; N22-D41 PolarHBondContact O-N 3.26Å; N22-Q292 WeakPolarHBondContact OD1-CA 3.48Å
23	V	96.7	Very high	93.3	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.1	165.9	-175.2	0	0	0	0	107.8	A18 S25 F290 Q292 V295	A18-V23 HydrophobicContact CB-CG2 4.07Å; V23-S25 WeakPolarHBondContact CG1-O 3.45Å; V23-F290 HydrophobicContact CB-CB 4.24Å; V23-F290 HydrophobicContact CB-CD2 3.88Å; V23-F290 HydrophobicContact CB-CG 4.21Å; V23-F290 HydrophobicContact CG1-CB 4.22Å; V23-F290 HydrophobicContact CG1-CD2 4.12Å; V23-F290 HydrophobicContact CG1-CG 4.08Å; V23-F290 WeakPolarHBondContact O-CD2 3.45Å; V23-F290 WeakPolarHBondContact O-CE2 3.35Å; V23-Q292 WeakPolarHBondContact CG2-O 3.45Å; V23-Q292 PolarHBondContact N-O 3.45Å; V23-V295 HydrophobicContact CG1-CG2 4.36Å; V23-V295 HydrophobicContact CG2-CG2 3.96Å
24	S	94.9	Very high	93.1	Very high	29 Å²	29	37.4 Å²	37.4	20%	0.203	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-28.6	177.4	20.7	0	0	0	0	111.8	G39 D41 V66	S24-G39 PolarHBondContact N-O 3.46Å; S24-G39 PolarHBondContact OG-O 3.27Å; S24-D41 WeakPolarHBondContact CB-OD1 3.41Å; S24-D41 PolarHBondContact OG-OD1 2.86Å; S24-V66 PolarHBondContact OG-O 3.4Å
25	S	94.6	Very high	93.1	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154.8	178.8	57.8	0	0	0	0	112.8	V23 T38 G39 V66 E67 V69	V23-S25 WeakPolarHBondContact CG1-O 3.45Å; S25-T38 WeakPolarHBondContact O-CA 3.27Å; S25-G39 PolarHBondContact N-O 3.15Å; S25-G39 VanDerWaalsContact N-O 3.16Å; S25-G39 PolarHBondContact O-N 3.1Å; S25-V66 PolarHBondContact OG-O 3.32Å; S25-E67 WeakPolarHBondContact CB-O 3.19Å; S25-V69 WeakPolarHBondContact OG-CG2 3.4Å
26	L	95.9	Very high	93.2	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.089	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159	171.6	63.9	70.2	0	0	0	111.3	L36 A37 T38 A276 D277 V288 F290 V295	L26-L36 HydrophobicContact CB-CD1 4.41Å; L26-A37 CarbonylContact C-O 3.53Å; L26-A37 VanDerWaalsContact CA-O 3.25Å; L26-A37 WeakPolarHBondContact CA-O 3.46Å; L26-T38 HydrophobicContact CB-CG2 4.24Å; L26-A276 HydrophobicContact CD1-CB 3.59Å; L26-A276 HydrophobicContact CD2-CB 4.14Å; L26-A276 HydrophobicContact CG-CB 3.82Å; L26-D277 HydrophobicContact CD1-CB 3.72Å; L26-V288 HydrophobicContact CD1-CB 4.23Å; L26-V288 HydrophobicContact CD1-CG2 3.37Å; L26-V288 HydrophobicContact CD2-CB 4.29Å; L26-V288 HydrophobicContact CD2-CG2 4.3Å; L26-V288 HydrophobicContact CG-CG2 4.49Å; L26-F290 HydrophobicContact CD2-CB 3.94Å; L26-F290 HydrophobicContact CD2-CD1 3.45Å; L26-F290 VanDerWaalsContact CD2-CD1 3.45Å; L26-F290 HydrophobicContact CD2-CE1 4.35Å; L26-F290 HydrophobicContact CD2-CG 4.1Å; L26-F290 HydrophobicContact CG-CD1 3.85Å; L26-F290 HydrophobicContact CG-CE1 4.29Å; L26-V295 HydrophobicContact CD2-CG1 4.04Å
27	V	96.6	Very high	93.3	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	139.9	176	62.7	0	0	0	0	111	A37 V69 L71	V27-A37 HydrophobicContact CG1-CB 3.83Å; V27-A37 PolarHBondContact N-O 3.39Å; V27-A37 PolarHBondContact O-N 3.33Å; V27-V69 HydrophobicContact CG1-CB 4.22Å; V27-V69 HydrophobicContact CG1-CG1 3.74Å; V27-L71 HydrophobicContact CG1-CD1 4.29Å; V27-L71 HydrophobicContact CG1-CG 4.18Å
28	L	95.6	Very high	93.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.3	169.7	-73	173.8	0	0	0	111	K30 L36 I50 D277 A279 I286 V288	L28-K30 PolarHBondContact O-N 2.83Å; L28-L36 HydrophobicContact CD2-CB 4.26Å; L28-L36 HydrophobicContact CD2-CD1 4.1Å; L28-I50 HydrophobicContact CD2-CD1 3.39Å; L28-I50 HydrophobicContact CD2-CG1 4.35Å; L28-D277 PolarHBondContact N-OD2 3.46Å; L28-A279 HydrophobicContact CB-CB 3.84Å; L28-A279 HydrophobicContact CD1-CB 3.81Å; L28-A279 HydrophobicContact CG-CB 4.47Å; L28-I286 HydrophobicContact CD1-CB 4.33Å; L28-I286 HydrophobicContact CD1-CG2 4.02Å; L28-I286 WeakPolarHBondContact CD1-O 3.48Å; L28-V288 HydrophobicContact CD1-CB 4.44Å; L28-V288 HydrophobicContact CD1-CG1 4.07Å; L28-V288 HydrophobicContact CD1-CG2 3.66Å; L28-V288 HydrophobicContact CD2-CG1 3.74Å; L28-V288 HydrophobicContact CD2-CG2 4.15Å; L28-V288 HydrophobicContact CG-CB 4.47Å; L28-V288 HydrophobicContact CG-CG1 4.06Å; L28-V288 HydrophobicContact CG-CG2 3.56Å
29	G	92.9	Very high	93.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.167	C	C	.	.			trans	-60.4	114.9	165.3	0	0	0	0	0	109.9	G33 L35 E75	G29-G33 WeakPolarHBondContact O-CA 3.12Å; G29-G33 PolarHBondContact O-N 3.36Å; G29-L35 PolarHBondContact N-O 3.26Å; G29-E75 VanDerWaalsContact CA-CD 3.45Å; G29-E75 WeakPolarHBondContact CA-OE1 3.23Å
30	K	89.1	Confident	93.6	Very high	71 Å²	71	25.9 Å²	25.9	31%	0.309	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-22.4	-174.7	-58.4	-54.5	-172.5	-160.8	0	113.2	L28 E75 D277 L278 A279	L28-K30 PolarHBondContact O-N 2.83Å; K30-E75 PolarHBondContact N-OE1 3.48Å; K30-D277 IonicContact NZ-OD1 2.68Å; K30-D277 PolarHBondContact NZ-OD1 3.41Å; K30-D277 IonicContact NZ-OD2 2.81Å; K30-D277 PolarHBondContact NZ-OD2 3.45Å; K30-L278 PolarHBondContact NZ-O 3.45Å; K30-A279 HydrophobicContact CD-CB 4.04Å
31	A	85.8	Confident	93.9	Very high	71 Å²	71	23.5 Å²	23.5	59%	0.587	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-41.9	-177.9	0	0	0	0	0	111.6	T73 E75	A31-T73 WeakPolarHBondContact CB-O 3.19Å; A31-E75 PolarHBondContact N-OE1 3.23Å
32	S	86.9	Confident	93.9	Very high	36 Å²	36	23.5 Å²	23.5	25%	0.252	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-32.1	178.3	70.4	0	0	0	0	112.7	R34 L35 E75 C281	S32-R34 PolarHBondContact O-N 3.12Å; S32-R34 PolarHBondContact OG-N 2.75Å; S32-L35 PolarHBondContact OG-N 2.97Å; S32-E75 VanDerWaalsContact CB-OE2 3.24Å; S32-E75 WeakPolarHBondContact CB-OE2 3.45Å; S32-E75 PolarHBondContact N-OE1 3.04Å; S32-E75 VanDerWaalsContact OG-CD 3.29Å; S32-E75 PolarHBondContact OG-OE1 3.27Å; S32-E75 PolarHBondContact OG-OE2 2.91Å; S32-C281 PolarHBondContact O-SG 3.47Å
33	G	86.5	Confident	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	59.8	17	-165.6	0	0	0	0	0	112.9	G29 I50 I286	G29-G33 WeakPolarHBondContact O-CA 3.12Å; G29-G33 PolarHBondContact O-N 3.36Å; G33-I50 VanDerWaalsContact O-CD1 3.26Å; G33-I50 WeakPolarHBondContact O-CD1 3.24Å; G33-I286 WeakPolarHBondContact O-CD1 3.24Å
34	R	89.9	Confident	93.8	Very high	57 Å²	57	24.7 Å²	24.7	22%	0.215	14%	0.136	C	C	.	.			trans	-129.5	-17.1	-173.3	-71.3	-172.8	-171.5	-86.4	-10.5	114.1	S32 S49 I50 S400 E401 F403	S32-R34 PolarHBondContact O-N 3.12Å; S32-R34 PolarHBondContact OG-N 2.75Å; R34-S49 CarbonylContact O-C 3.46Å; R34-S49 WeakPolarHBondContact O-CA 3.07Å; R34-I50 WeakPolarHBondContact O-CG1 3.29Å; R34-I50 PolarHBondContact O-N 3.21Å; R34-S400 PolarHBondContact NE-OG 3.03Å; R34-S400 PolarHBondContact NH2-OG 2.91Å; R34-S400 VanDerWaalsContact NH2-OG 3.12Å; R34-E401 PolarHBondContact NH2-O 2.59Å; R34-F403 HydrophobicContact CG-CZ 4.37Å
35	L	94.2	Very high	94	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.9	171.7	-166.9	64.6	0	0	0	109.5	G29 S32 L47 I56 L71 E75 L92 F386	G29-L35 PolarHBondContact N-O 3.26Å; S32-L35 PolarHBondContact OG-N 2.97Å; L35-L47 HydrophobicContact CD1-CD2 4.04Å; L35-L47 HydrophobicContact CD2-CD2 4.14Å; L35-L47 HydrophobicContact CG-CD2 4.05Å; L35-I56 HydrophobicContact CD1-CD1 4.01Å; L35-L71 HydrophobicContact CD2-CD1 3.98Å; L35-L71 HydrophobicContact CD2-CD2 4.17Å; L35-L71 HydrophobicContact CG-CD1 4.27Å; L35-E75 WeakPolarHBondContact CB-OE2 3.41Å; L35-E75 HydrophobicContact CD2-CB 4.09Å; L35-L92 HydrophobicContact CD2-CD1 4.4Å; L35-F386 HydrophobicContact CD1-CZ 3.88Å; L35-F386 HydrophobicContact CD2-CE1 4.14Å; L35-F386 HydrophobicContact CD2-CZ 3.99Å
36	L	96.4	Very high	94.1	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.7	173.8	166.7	67.6	0	0	0	108.1	I16 L26 L28 T38 L47 W48 I50 V288 V295	I16-L36 HydrophobicContact CD1-CD2 4.43Å; L26-L36 HydrophobicContact CB-CD1 4.41Å; L28-L36 HydrophobicContact CD2-CB 4.26Å; L28-L36 HydrophobicContact CD2-CD1 4.1Å; L36-T38 HydrophobicContact CD1-CG2 4.28Å; L36-T38 HydrophobicContact CD2-CG2 4.34Å; L36-T38 HydrophobicContact CG-CG2 4.13Å; L36-L47 CarbonylContact O-C 3.54Å; L36-L47 WeakPolarHBondContact O-CA 3.47Å; L36-W48 HydrophobicContact CB-CB 4.2Å; L36-W48 HydrophobicContact CD2-CB 4.33Å; L36-W48 HydrophobicContact CD2-CG 4.49Å; L36-W48 HydrophobicContact CG-CB 4.45Å; L36-W48 PolarHBondContact N-O 3.44Å; L36-W48 PolarHBondContact O-N 2.88Å; L36-I50 HydrophobicContact CB-CG1 4.18Å; L36-V288 HydrophobicContact CD1-CG1 4.31Å; L36-V295 HydrophobicContact CD2-CG1 3.92Å
37	A	97.3	Very high	94.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.5	170.2	0	0	0	0	0	110.4	L26 V27 N46 L47 V69 L71 I78	L26-A37 CarbonylContact C-O 3.53Å; L26-A37 VanDerWaalsContact CA-O 3.25Å; L26-A37 WeakPolarHBondContact CA-O 3.46Å; V27-A37 HydrophobicContact CG1-CB 3.83Å; V27-A37 PolarHBondContact N-O 3.39Å; V27-A37 PolarHBondContact O-N 3.33Å; A37-N46 CarbonylContact C-O 3.56Å; A37-N46 WeakPolarHBondContact CA-O 3.43Å; A37-L47 HydrophobicContact CB-CD2 3.68Å; A37-L47 HydrophobicContact CB-CG 4.46Å; A37-V69 HydrophobicContact CB-CG1 3.92Å; A37-L71 HydrophobicContact CB-CD1 4.44Å; A37-I78 HydrophobicContact CB-CD1 3.54Å
38	T	97.8	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.8	-179.1	60	0	0	0	0	109.6	A18 H19 S25 L26 L36 V45 N46 W48 V295	A18-T38 HydrophobicContact CB-CG2 4.16Å; H19-T38 PolarHBondContact CD2-OG1 2.82Å; H19-T38 WeakPolarHBondContact NE2-CB 3.5Å; H19-T38 PolarHBondContact NE2-O 3.42Å; H19-T38 PolarHBondContact NE2-OG1 3.27Å; S25-T38 WeakPolarHBondContact O-CA 3.27Å; L26-T38 HydrophobicContact CB-CG2 4.24Å; L36-T38 HydrophobicContact CD1-CG2 4.28Å; L36-T38 HydrophobicContact CD2-CG2 4.34Å; L36-T38 HydrophobicContact CG-CG2 4.13Å; T38-V45 CarbonylContact O-C 3.48Å; T38-V45 WeakPolarHBondContact O-CA 3.28Å; T38-N46 PolarHBondContact N-O 2.88Å; T38-N46 PolarHBondContact O-N 3.12Å; T38-N46 PolarHBondContact OG1-O 3.34Å; T38-W48 PolarHBondContact OG1-NE1 3.31Å; T38-V295 HydrophobicContact CG2-CG2 3.96Å
39	G	97.2	Very high	94	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.4	171	0	0	0	0	0	110.1	S24 S25	S24-G39 PolarHBondContact N-O 3.46Å; S24-G39 PolarHBondContact OG-O 3.27Å; S25-G39 PolarHBondContact N-O 3.15Å; S25-G39 VanDerWaalsContact N-O 3.16Å; S25-G39 PolarHBondContact O-N 3.1Å
40	G	96.3	Very high	93.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	164.7	-176	0	0	0	0	0	114.4	H19 N22 D42 C43 R44 V66	H19-G40 PolarHBondContact CE1-N 3.07Å; N22-G40 WeakPolarHBondContact O-CA 3.29Å; G40-D42 WeakPolarHBondContact CA-OD1 3.5Å; G40-D42 PolarHBondContact O-N 3.08Å; G40-C43 PolarHBondContact O-N 3.32Å; G40-C43 VanDerWaalsContact O-N 3.14Å; G40-R44 PolarHBondContact N-O 2.85Å; G40-R44 VanDerWaalsContact N-O 3.11Å; G40-V66 PolarHBondContact O-N 3.45Å
41	D	96.6	Very high	93.8	Very high	57 Å²	57	25.2 Å²	25.2	31%	0.305	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.4	171.5	-67.8	-0.4	0	0	0	112.3	S21 N22 S24 C43 P65	S21-D41 WeakPolarHBondContact OG-CB 3.37Å; N22-D41 PolarHBondContact O-N 3.26Å; S24-D41 WeakPolarHBondContact CB-OD1 3.41Å; S24-D41 PolarHBondContact OG-OD1 2.86Å; D41-C43 PolarHBondContact O-N 3.22Å; D41-P65 HydrophobicContact CB-CB 4.48Å; D41-P65 HydrophobicContact CB-CG 4.48Å
42	D	95.1	Very high	94	Very high	47 Å²	47	24.7 Å²	24.7	25%	0.251	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	8.4	169.1	64.9	-1.6	0	0	0	113.4	H19 G40 R44	H19-D42 IonicContact CE1-OD1 2.94Å; H19-D42 IonicContact CG-OD1 3.6Å; H19-D42 IonicContact CG-OD2 3.16Å; H19-D42 VanDerWaalsContact ND1-CG 3.26Å; H19-D42 IonicContact ND1-OD1 2.84Å; H19-D42 PolarHBondContact ND1-OD1 3.06Å; H19-D42 IonicContact ND1-OD2 3.53Å; H19-D42 PolarHBondContact ND1-OD2 3.2Å; G40-D42 WeakPolarHBondContact CA-OD1 3.5Å; G40-D42 PolarHBondContact O-N 3.08Å; D42-R44 PolarHBondContact O-N 3.27Å; D42-R44 PolarHBondContact OD1-N 3.29Å
43	C	95.5	Very high	93.9	Very high	27 Å²	27	27.2 Å²	27.2	18%	0.182	14%	0.139	C	C	.	.	S	Bend	trans	64.3	17.8	178.2	-49.7	0	0	0	0	113.9	G40 D41 H62 S64	G40-C43 PolarHBondContact O-N 3.32Å; G40-C43 VanDerWaalsContact O-N 3.14Å; D41-C43 PolarHBondContact O-N 3.22Å; C43-H62 HydrophobicContact CB-CB 4.35Å; C43-H62 WeakPolarHBondContact CB-O 3.29Å; C43-S64 VanDerWaalsContact SG-CA 3.55Å
44	R	95.7	Very high	94.1	Very high	83 Å²	83	31.8 Å²	31.8	31%	0.313	16%	0.163	S	C	.	.			trans	-110.2	156.4	-179.6	-67.9	177.1	171	-131.3	-6.3	111.2	H19 G40 D42 T60 E375	H19-R44 PolarHBondContact CE1-O 3.47Å; G40-R44 PolarHBondContact N-O 2.85Å; G40-R44 VanDerWaalsContact N-O 3.11Å; D42-R44 PolarHBondContact O-N 3.27Å; D42-R44 PolarHBondContact OD1-N 3.29Å; R44-T60 HydrophobicContact CG-CG2 4.42Å; R44-E375 IonicContact CZ-OE1 3.63Å; R44-E375 IonicContact CZ-OE2 3.21Å; R44-E375 IonicContact NH1-OE1 2.92Å; R44-E375 IonicContact NH1-OE2 3.88Å; R44-E375 PolarHBondContact NH1-OE2 3.46Å; R44-E375 IonicContact NH2-OE1 2.89Å; R44-E375 PolarHBondContact NH2-OE1 2.89Å; R44-E375 IonicContact NH2-OE2 3.85Å; R44-E375 PolarHBondContact NH2-OE2 2.9Å
45	V	97.2	Very high	94.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.9	165.9	-179.3	0	0	0	0	108.9	T38 L59 V66 V69 I78 A80	T38-V45 CarbonylContact O-C 3.48Å; T38-V45 WeakPolarHBondContact O-CA 3.28Å; V45-L59 HydrophobicContact CB-CB 4.12Å; V45-L59 HydrophobicContact CB-CD1 4.32Å; V45-L59 HydrophobicContact CG1-CD1 4.26Å; V45-L59 PolarHBondContact N-O 3.32Å; V45-L59 WeakPolarHBondContact O-CB 3.42Å; V45-L59 PolarHBondContact O-N 2.82Å; V45-V66 HydrophobicContact CG2-CB 4.37Å; V45-V66 HydrophobicContact CG2-CG1 3.8Å; V45-V66 HydrophobicContact CG2-CG2 4.09Å; V45-V69 HydrophobicContact CG1-CG1 4.17Å; V45-V69 HydrophobicContact CG1-CG2 4.27Å; V45-V69 HydrophobicContact CG2-CG2 4.12Å; V45-I78 HydrophobicContact CG1-CD1 3.67Å; V45-A80 HydrophobicContact CG2-CB 3.71Å
46	N	97	Very high	94.3	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.053	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.9	-179	-65.6	-21.9	0	0	0	110.4	A18 H19 A37 T38 W48 S58	A18-N46 PolarHBondContact O-ND2 3.14Å; H19-N46 PolarHBondContact CE1-ND2 3.16Å; H19-N46 VanDerWaalsContact CE1-ND2 3.35Å; H19-N46 PolarHBondContact ND1-ND2 3.37Å; A37-N46 CarbonylContact C-O 3.56Å; A37-N46 WeakPolarHBondContact CA-O 3.43Å; T38-N46 PolarHBondContact N-O 2.88Å; T38-N46 PolarHBondContact O-N 3.12Å; T38-N46 PolarHBondContact OG1-O 3.34Å; N46-W48 HydrophobicContact CB-CZ2 3.76Å; N46-W48 PolarHBondContact O-NE1 2.9Å; N46-S58 WeakPolarHBondContact OD1-CB 3.5Å; N46-S58 PolarHBondContact OD1-OG 3.35Å
47	L	96.7	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.7	179.2	-80.6	158.6	0	0	0	110.8	L35 L36 A37 I56 M57 L59 I78 L92	L35-L47 HydrophobicContact CD1-CD2 4.04Å; L35-L47 HydrophobicContact CD2-CD2 4.14Å; L35-L47 HydrophobicContact CG-CD2 4.05Å; L36-L47 CarbonylContact O-C 3.54Å; L36-L47 WeakPolarHBondContact O-CA 3.47Å; A37-L47 HydrophobicContact CB-CD2 3.68Å; A37-L47 HydrophobicContact CB-CG 4.46Å; L47-I56 PolarHBondContact O-N 2.99Å; L47-M57 HydrophobicContact CB-CG 3.84Å; L47-M57 HydrophobicContact CD1-CG 3.54Å; L47-M57 HydrophobicContact CD1-SD 3.55Å; L47-M57 VanDerWaalsContact CD1-SD 3.55Å; L47-M57 HydrophobicContact CG-CG 4.27Å; L47-M57 PolarHBondContact N-O 3.15Å; L47-L59 HydrophobicContact CD1-CD1 4.07Å; L47-L59 HydrophobicContact CD1-CG 4.44Å; L47-I78 HydrophobicContact CD2-CD1 4.25Å; L47-L92 HydrophobicContact CD1-CD1 4.27Å; L47-L92 HydrophobicContact CD1-CD2 3.44Å; L47-L92 VanDerWaalsContact CD1-CD2 3.44Å; L47-L92 HydrophobicContact CD1-CG 4.48Å
48	W	96.2	Very high	94.1	Very high	16 Å²	16	29 Å²	29	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.2	-171.1	-48.7	84.4	0	0	0	109.9	I16 A18 L36 T38 N46 C55	I16-W48 HydrophobicContact CD1-CB 4.38Å; I16-W48 HydrophobicContact CD1-CD2 3.44Å; I16-W48 VanDerWaalsContact CD1-CD2 3.44Å; I16-W48 HydrophobicContact CD1-CE3 3.45Å; I16-W48 VanDerWaalsContact CD1-CE3 3.45Å; I16-W48 HydrophobicContact CD1-CG 3.85Å; I16-W48 HydrophobicContact CD1-CH2 4.38Å; I16-W48 HydrophobicContact CD1-CZ2 4.42Å; I16-W48 HydrophobicContact CD1-CZ3 3.92Å; A18-W48 VanDerWaalsContact CA-CZ2 3.47Å; A18-W48 HydrophobicContact CB-CZ2 3.99Å; A18-W48 VanDerWaalsContact O-CZ2 3.27Å; A18-W48 WeakPolarHBondContact O-CZ2 3.39Å; L36-W48 HydrophobicContact CB-CB 4.2Å; L36-W48 HydrophobicContact CD2-CB 4.33Å; L36-W48 HydrophobicContact CD2-CG 4.49Å; L36-W48 HydrophobicContact CG-CB 4.45Å; L36-W48 PolarHBondContact N-O 3.44Å; L36-W48 PolarHBondContact O-N 2.88Å; T38-W48 PolarHBondContact OG1-NE1 3.31Å; N46-W48 HydrophobicContact CB-CZ2 3.76Å; N46-W48 PolarHBondContact O-NE1 2.9Å; W48-C55 HydrophobicContact CD2-CB 4.34Å; W48-C55 HydrophobicContact CE3-CB 3.92Å; W48-C55 HydrophobicContact CH2-CB 3.66Å; W48-C55 HydrophobicContact CZ2-CB 4.04Å; W48-C55 HydrophobicContact CZ3-CB 3.6Å
49	S	93	Very high	94	Very high	16 Å²	16	29.1 Å²	29.1	11%	0.112	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.8	162.6	175.7	0	0	0	0	108	R34 N51 K52	R34-S49 CarbonylContact O-C 3.46Å; R34-S49 WeakPolarHBondContact O-CA 3.07Å; S49-N51 PolarHBondContact O-N 3.31Å; S49-K52 PolarHBondContact O-N 3.22Å
50	I	90.3	Very high	93.8	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.036	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	134.3	172.2	-61.7	173.9	0	0	0	108.4	L13 L28 G33 R34 L36 K52 I286 F403	L13-I50 HydrophobicContact CD2-CG2 3.38Å; L28-I50 HydrophobicContact CD2-CD1 3.39Å; L28-I50 HydrophobicContact CD2-CG1 4.35Å; G33-I50 VanDerWaalsContact O-CD1 3.26Å; G33-I50 WeakPolarHBondContact O-CD1 3.24Å; R34-I50 WeakPolarHBondContact O-CG1 3.29Å; R34-I50 PolarHBondContact O-N 3.21Å; L36-I50 HydrophobicContact CB-CG1 4.18Å; I50-K52 VanDerWaalsContact C-N 3.32Å; I50-I286 HydrophobicContact CD1-CG2 4.02Å; I50-F403 HydrophobicContact CB-CZ 4.22Å; I50-F403 HydrophobicContact CG2-CE1 4.25Å; I50-F403 HydrophobicContact CG2-CE2 4.18Å; I50-F403 HydrophobicContact CG2-CZ 3.61Å
51	N	88.1	Confident	93.5	Very high	93 Å²	93	31.1 Å²	31.1	50%	0.497	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	5.9	-173.5	-162.8	50.4	0	0	0	115.6	L13 Q14 S49 F403	L13-N51 HydrophobicContact CD2-CB 4.36Å; Q14-N51 VanDerWaalsContact OE1-CA 3.24Å; S49-N51 PolarHBondContact O-N 3.31Å; N51-F403 HydrophobicContact CB-CD1 4.26Å; N51-F403 HydrophobicContact CB-CE1 3.6Å
52	K	89.9	Confident	93.3	Very high	60 Å²	60	29.1 Å²	29.1	26%	0.261	16%	0.159	S	C	.	.			trans	-116.6	133.8	167.7	-62.2	-174.1	180	176	0	109	Q14 S49 I50 N54 D381 E384	Q14-K52 PolarHBondContact NE2-O 3.19Å; S49-K52 PolarHBondContact O-N 3.22Å; I50-K52 VanDerWaalsContact C-N 3.32Å; K52-N54 VanDerWaalsContact C-N 3.32Å; K52-D381 WeakPolarHBondContact CD-OD2 3.42Å; K52-D381 IonicContact NZ-OD1 3.61Å; K52-D381 PolarHBondContact NZ-OD1 3.28Å; K52-E384 IonicContact NZ-OE2 3.32Å; K52-E384 PolarHBondContact NZ-OE2 3.4Å
53	P	86.3	Confident	93.3	Very high	89 Å²	89	32.5 Å²	32.5	58%	0.578	18%	0.182	S	C	*	.			trans	-76.9	-19.7	-178.2	30.8	-35.1	0	0	0	113.6
54	N	90	Very high	93.3	Very high	96 Å²	96	32 Å²	32	51%	0.513	18%	0.178	S	C	.	.	S	Bend	trans	-86	137.2	-173.9	-62.2	-22.2	0	0	0	110.8	K52	K52-N54 VanDerWaalsContact C-N 3.32Å
55	C	93.8	Very high	93.4	Very high	8 Å²	8	29.2 Å²	29.2	5%	0.054	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	134.3	167.6	-179.5	0	0	0	0	109	W48 M57 Q377	W48-C55 HydrophobicContact CD2-CB 4.34Å; W48-C55 HydrophobicContact CE3-CB 3.92Å; W48-C55 HydrophobicContact CH2-CB 3.66Å; W48-C55 HydrophobicContact CZ2-CB 4.04Å; W48-C55 HydrophobicContact CZ3-CB 3.6Å; C55-M57 PolarHBondContact SG-O 3.28Å; C55-Q377 VanDerWaalsContact CB-OE1 3.25Å; C55-Q377 WeakPolarHBondContact O-CB 3.46Å
56	I	94.5	Very high	93.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-52.8	177.3	-57.7	162.8	0	0	0	108.9	L35 L47 Q377 N378 D381 I385 F386	L35-I56 HydrophobicContact CD1-CD1 4.01Å; L47-I56 PolarHBondContact O-N 2.99Å; I56-Q377 PolarHBondContact O-N 3.08Å; I56-N378 PolarHBondContact O-N 3.43Å; I56-D381 HydrophobicContact CG1-CB 4.15Å; I56-D381 HydrophobicContact CG2-CB 4.38Å; I56-I385 HydrophobicContact CD1-CD1 3.5Å; I56-I385 HydrophobicContact CG1-CD1 4.34Å; I56-F386 HydrophobicContact CG2-CE2 4.11Å
57	M	94.5	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	153.8	-180	67.6	170.7	73.6	0	0	111.7	L47 C55 L59 L92 E375 Y382 F386	L47-M57 HydrophobicContact CB-CG 3.84Å; L47-M57 HydrophobicContact CD1-CG 3.54Å; L47-M57 HydrophobicContact CD1-SD 3.55Å; L47-M57 VanDerWaalsContact CD1-SD 3.55Å; L47-M57 HydrophobicContact CG-CG 4.27Å; L47-M57 PolarHBondContact N-O 3.15Å; C55-M57 PolarHBondContact SG-O 3.28Å; M57-L59 HydrophobicContact CG-CD2 4.42Å; M57-L59 HydrophobicContact SD-CD2 3.68Å; M57-L59 HydrophobicContact SD-CG 4.43Å; M57-L92 HydrophobicContact SD-CD2 4.21Å; M57-E375 CarbonylContact C-O 3.6Å; M57-E375 VanDerWaalsContact CA-O 3.29Å; M57-E375 WeakPolarHBondContact CA-O 3.48Å; M57-Y382 HydrophobicContact CE-CD2 3.16Å; M57-Y382 HydrophobicContact CE-CE2 3.25Å; M57-Y382 HydrophobicContact CE-CG 4.41Å; M57-F386 HydrophobicContact CE-CD2 3.94Å; M57-F386 HydrophobicContact CE-CE2 3.88Å
58	S	95.4	Very high	93.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.3	172.8	-170	0	0	0	0	109.9	N46 A374 E375	N46-S58 WeakPolarHBondContact OD1-CB 3.5Å; N46-S58 PolarHBondContact OD1-OG 3.35Å; S58-A374 WeakPolarHBondContact O-CA 3.3Å; S58-E375 PolarHBondContact N-O 3.23Å; S58-E375 PolarHBondContact O-N 3.22Å
59	L	95.1	Very high	93.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.3	178.9	-54	174.9	0	0	0	108.9	V45 L47 M57 I78 W90 L92 A374	V45-L59 HydrophobicContact CB-CB 4.12Å; V45-L59 HydrophobicContact CB-CD1 4.32Å; V45-L59 HydrophobicContact CG1-CD1 4.26Å; V45-L59 PolarHBondContact N-O 3.32Å; V45-L59 WeakPolarHBondContact O-CB 3.42Å; V45-L59 PolarHBondContact O-N 2.82Å; L47-L59 HydrophobicContact CD1-CD1 4.07Å; L47-L59 HydrophobicContact CD1-CG 4.44Å; M57-L59 HydrophobicContact CG-CD2 4.42Å; M57-L59 HydrophobicContact SD-CD2 3.68Å; M57-L59 HydrophobicContact SD-CG 4.43Å; L59-I78 HydrophobicContact CD1-CD1 4.3Å; L59-I78 HydrophobicContact CD1-CG2 3.49Å; L59-I78 VanDerWaalsContact CD1-CG2 3.49Å; L59-W90 HydrophobicContact CB-CD2 4.38Å; L59-W90 HydrophobicContact CB-CG 4.49Å; L59-W90 HydrophobicContact CB-CZ2 4.33Å; L59-W90 HydrophobicContact CD1-CB 4.2Å; L59-W90 HydrophobicContact CD1-CD2 4.06Å; L59-W90 HydrophobicContact CD1-CE3 4.43Å; L59-W90 HydrophobicContact CD1-CG 3.97Å; L59-W90 HydrophobicContact CD2-CG 4.24Å; L59-W90 HydrophobicContact CG-CG 4.48Å; L59-L92 HydrophobicContact CD1-CD2 4.18Å; L59-A374 HydrophobicContact CD2-CB 3.57Å
60	T	93.2	Very high	93.6	Very high	22 Å²	22	32.3 Å²	32.3	14%	0.135	18%	0.184	C	C	.	.			trans	-109.4	165.1	-179.6	70	0	0	0	0	111.4	R44 R373 E375	R44-T60 HydrophobicContact CG-CG2 4.42Å; T60-R373 PolarHBondContact OG1-N 2.85Å; T60-R373 PolarHBondContact OG1-O 3.37Å; T60-E375 HydrophobicContact CG2-CG 4.39Å
61	G	89.3	Confident	93.9	Very high	20 Å²	20	32.6 Å²	32.6	21%	0.206	19%	0.186	C	C	.	.			trans	132.6	-21.5	171.4	0	0	0	0	0	114.5	R88	G61-R88 VanDerWaalsContact CA-NH1 3.33Å; G61-R88 PolarHBondContact O-NE 3.21Å; G61-R88 PolarHBondContact O-NH1 3.44Å; G61-R88 PolarHBondContact O-NH2 3.21Å
62	H	93.7	Very high	94.2	Very high	16 Å²	16	29.1 Å²	29.1	7%	0.074	17%	0.167	C	C	.	.			trans	-70.4	145.4	168.9	-76.7	-67.4	0	0	0	110.8	C43 V66 A80 S82 S86 W90	C43-H62 HydrophobicContact CB-CB 4.35Å; C43-H62 WeakPolarHBondContact CB-O 3.29Å; H62-V66 HydrophobicContact CB-CG2 4.25Å; H62-A80 PolarHBondContact NE2-O 2.86Å; H62-S82 WeakPolarHBondContact ND1-CB 3.28Å; H62-S82 PolarHBondContact ND1-OG 3.32Å; H62-S86 PolarHBondContact CE1-O 3.41Å; H62-W90 AromaticContact CD2-CH2 3.59Å; H62-W90 AromaticContact NE2-CH2 3.43Å; H62-W90 WeakPolarHBondContact NE2-CH2 3.4Å
63	T	93.9	Very high	94.1	Very high	118 Å²	118	30.8 Å²	30.8	72%	0.724	18%	0.182	S	C	*	.	S	Bend	trans	-105.5	0.4	176.7	53.1	0	0	0	0	112.6
64	S	95.9	Very high	94.3	Very high	16 Å²	16	30.1 Å²	30.1	11%	0.112	18%	0.178	C	C	.	.	S	Bend	trans	-140.5	157.7	179.6	64	0	0	0	0	109.9	C43 S82 S84	C43-S64 VanDerWaalsContact SG-CA 3.55Å; S64-S82 VanDerWaalsContact OG-CB 3.28Å; S64-S82 WeakPolarHBondContact OG-CB 3.08Å; S64-S82 PolarHBondContact OG-OG 2.97Å; S64-S84 WeakPolarHBondContact OG-CB 3.27Å; S64-S84 PolarHBondContact OG-N 3.21Å; S64-S84 VanDerWaalsContact OG-N 3.09Å; S64-S84 PolarHBondContact OG-OG 2.91Å
65	P	97.1	Very high	94.4	Very high	24 Å²	24	26.4 Å²	26.4	16%	0.156	16%	0.158	C	C	.	.			trans	-45.2	143.6	180	-34.3	38.4	0	0	0	114.5	D41 E67 S82 Q83	D41-P65 HydrophobicContact CB-CB 4.48Å; D41-P65 HydrophobicContact CB-CG 4.48Å; P65-E67 PolarHBondContact O-N 3.12Å; P65-S82 CarbonylContact O-C 3.58Å; P65-S82 WeakPolarHBondContact O-CA 3.16Å; P65-S82 WeakPolarHBondContact O-CB 3.3Å; P65-Q83 HydrophobicContact CB-CB 4.2Å; P65-Q83 PolarHBondContact O-N 2.93Å
66	V	97.6	Very high	94.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	97	-178.5	-175.2	0	0	0	0	111.2	S24 S25 G40 V45 H62 V69 A80	S24-V66 PolarHBondContact OG-O 3.4Å; S25-V66 PolarHBondContact OG-O 3.32Å; G40-V66 PolarHBondContact O-N 3.45Å; V45-V66 HydrophobicContact CG2-CB 4.37Å; V45-V66 HydrophobicContact CG2-CG1 3.8Å; V45-V66 HydrophobicContact CG2-CG2 4.09Å; H62-V66 HydrophobicContact CB-CG2 4.25Å; V66-V69 HydrophobicContact CG1-CG2 3.68Å; V66-A80 HydrophobicContact CG1-CB 3.74Å
67	E	96.5	Very high	94.3	Very high	57 Å²	57	32.4 Å²	32.4	27%	0.266	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-20.7	-171.3	-63.9	-75.7	-177.3	0	0	114.1	S25 P65 G81 Q83 N107 I108	S25-E67 WeakPolarHBondContact CB-O 3.19Å; P65-E67 PolarHBondContact O-N 3.12Å; E67-G81 PolarHBondContact N-O 3.46Å; E67-Q83 HydrophobicContact CG-CB 3.92Å; E67-Q83 PolarHBondContact OE1-NE2 3.07Å; E67-N107 HydrophobicContact CG-CB 4.41Å; E67-N107 PolarHBondContact OE1-ND2 3.38Å; E67-I108 WeakPolarHBondContact CB-O 3.46Å
68	S	96.6	Very high	94.4	Very high	8 Å²	8	32.4 Å²	32.4	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.3	178	51.8	0	0	0	0	111.7	A80 G81 I108 L111	S68-A80 CarbonylContact O-C 3.56Å; S68-A80 VanDerWaalsContact O-CA 3.27Å; S68-A80 WeakPolarHBondContact O-CA 3.45Å; S68-G81 PolarHBondContact N-O 2.98Å; S68-G81 VanDerWaalsContact N-O 3.14Å; S68-G81 PolarHBondContact O-N 3.48Å; S68-I108 WeakPolarHBondContact OG-CG2 3.41Å; S68-I108 PolarHBondContact OG-O 3.49Å; S68-L111 WeakPolarHBondContact OG-CD1 3.47Å
69	V	97.6	Very high	94.4	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.073	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.9	178.4	-179.8	0	0	0	0	108.9	S25 V27 A37 V45 V66 I78 V79 A80	S25-V69 WeakPolarHBondContact OG-CG2 3.4Å; V27-V69 HydrophobicContact CG1-CB 4.22Å; V27-V69 HydrophobicContact CG1-CG1 3.74Å; A37-V69 HydrophobicContact CB-CG1 3.92Å; V45-V69 HydrophobicContact CG1-CG1 4.17Å; V45-V69 HydrophobicContact CG1-CG2 4.27Å; V45-V69 HydrophobicContact CG2-CG2 4.12Å; V66-V69 HydrophobicContact CG1-CG2 3.68Å; V69-I78 HydrophobicContact CG1-CD1 3.63Å; V69-I78 HydrophobicContact CG1-CG1 3.8Å; V69-V79 CarbonylContact C-O 3.57Å; V69-V79 WeakPolarHBondContact CA-O 3.5Å; V69-A80 HydrophobicContact CG2-CB 4.01Å
70	R	97.1	Very high	94.6	Very high	30 Å²	30	32.3 Å²	32.3	11%	0.113	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.7	174.7	-162.2	76.2	175.7	146.7	4.3	110.9	I78 V79 L111 D112 F113 R154	R70-I78 WeakPolarHBondContact O-CA 3.3Å; R70-I78 WeakPolarHBondContact O-CG1 3.28Å; R70-V79 HydrophobicContact CB-CG1 3.76Å; R70-V79 PolarHBondContact N-O 2.81Å; R70-V79 PolarHBondContact O-N 3.43Å; R70-L111 HydrophobicContact CB-CB 4.13Å; R70-D112 IonicContact CZ-OD1 2.85Å; R70-D112 IonicContact NE-OD1 3.53Å; R70-D112 PolarHBondContact NE-OD1 2.99Å; R70-D112 IonicContact NH2-OD1 3.23Å; R70-F113 HydrophobicContact CG-CD2 4.27Å; R70-F113 WeakPolarHBondContact O-CE2 3.39Å; R70-R154 VanDerWaalsContact CZ-CZ 3.43Å; R70-R154 VanDerWaalsContact NH2-NH1 3.19Å
71	L	95.5	Very high	94.8	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.073	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	145.2	169.1	-70.4	164.4	0	0	0	109.7	V27 L35 A37 I78 L92	V27-L71 HydrophobicContact CG1-CD1 4.29Å; V27-L71 HydrophobicContact CG1-CG 4.18Å; L35-L71 HydrophobicContact CD2-CD1 3.98Å; L35-L71 HydrophobicContact CD2-CD2 4.17Å; L35-L71 HydrophobicContact CG-CD1 4.27Å; A37-L71 HydrophobicContact CB-CD1 4.44Å; L71-I78 HydrophobicContact CD2-CB 3.86Å; L71-I78 HydrophobicContact CD2-CD1 3.98Å; L71-I78 HydrophobicContact CD2-CG1 3.91Å; L71-L92 HydrophobicContact CD2-CD1 3.93Å
72	N	94.1	Very high	95.2	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.102	17%	0.169	C	C	.	.			trans	-72.6	165.2	169.3	72.5	-14.7	0	0	0	110.6	P74 E75 E76 L77 F113	N72-P74 VanDerWaalsContact ND2-CG 3.31Å; N72-P74 WeakPolarHBondContact ND2-CG 3.47Å; N72-E75 PolarHBondContact O-N 3.4Å; N72-E75 WeakPolarHBondContact OD1-CA 3.47Å; N72-E75 PolarHBondContact OD1-N 3.48Å; N72-E76 PolarHBondContact OD1-N 3.32Å; N72-L77 HydrophobicContact CB-CB 4.24Å; N72-L77 PolarHBondContact N-O 3.16Å; N72-L77 WeakPolarHBondContact ND2-CB 3.4Å; N72-L77 PolarHBondContact ND2-N 3.35Å; N72-L77 PolarHBondContact OD1-N 3.34Å; N72-L77 PolarHBondContact OD1-O 2.84Å; N72-F113 HydrophobicContact CB-CB 4.33Å; N72-F113 HydrophobicContact CB-CD1 4.19Å; N72-F113 HydrophobicContact CB-CD2 3.7Å; N72-F113 HydrophobicContact CB-CE1 4.4Å; N72-F113 HydrophobicContact CB-CE2 3.9Å; N72-F113 HydrophobicContact CB-CG 3.83Å; N72-F113 HydrophobicContact CB-CZ 4.26Å
73	T	89.5	Confident	95.3	Very high	95 Å²	95	33.4 Å²	33.4	58%	0.583	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-43.3	-179	-49.9	0	0	0	0	114.1	A31 E75	A31-T73 WeakPolarHBondContact CB-O 3.19Å; T73-E75 PolarHBondContact O-N 2.93Å
74	P	88.8	Confident	95.4	Very high	75 Å²	75	30.8 Å²	30.8	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.8	175.8	32.4	-36.9	0	0	0	114.2	N72 E76	N72-P74 VanDerWaalsContact ND2-CG 3.31Å; N72-P74 WeakPolarHBondContact ND2-CG 3.47Å; P74-E76 VanDerWaalsContact C-N 3.26Å; P74-E76 HydrophobicContact CB-CG 4.12Å; P74-E76 HydrophobicContact CG-CB 4.46Å; P74-E76 HydrophobicContact CG-CG 4.29Å; P74-E76 PolarHBondContact O-N 2.95Å
75	E	92.2	Very high	95.3	Very high	18 Å²	18	30.1 Å²	30.1	8%	0.084	17%	0.165	C	C	.	.	S	Bend	trans	60.8	29.6	-178.4	-58.8	171.9	-163	0	0	114.4	G29 K30 A31 S32 L35 N72 T73 L92	G29-E75 VanDerWaalsContact CA-CD 3.45Å; G29-E75 WeakPolarHBondContact CA-OE1 3.23Å; K30-E75 PolarHBondContact N-OE1 3.48Å; A31-E75 PolarHBondContact N-OE1 3.23Å; S32-E75 VanDerWaalsContact CB-OE2 3.24Å; S32-E75 WeakPolarHBondContact CB-OE2 3.45Å; S32-E75 PolarHBondContact N-OE1 3.04Å; S32-E75 VanDerWaalsContact OG-CD 3.29Å; S32-E75 PolarHBondContact OG-OE1 3.27Å; S32-E75 PolarHBondContact OG-OE2 2.91Å; L35-E75 WeakPolarHBondContact CB-OE2 3.41Å; L35-E75 HydrophobicContact CD2-CB 4.09Å; N72-E75 PolarHBondContact O-N 3.4Å; N72-E75 WeakPolarHBondContact OD1-CA 3.47Å; N72-E75 PolarHBondContact OD1-N 3.48Å; T73-E75 PolarHBondContact O-N 2.93Å; E75-L92 WeakPolarHBondContact O-CD1 3.45Å
76	E	92.1	Very high	95.2	Very high	108 Å²	108	29.4 Å²	29.4	51%	0.505	16%	0.161	S	C	.	.	S	Bend	trans	-95.6	-27.8	176.2	-66.2	169.8	178.2	0	0	112.3	N72 P74 L92	N72-E76 PolarHBondContact OD1-N 3.32Å; P74-E76 VanDerWaalsContact C-N 3.26Å; P74-E76 HydrophobicContact CB-CG 4.12Å; P74-E76 HydrophobicContact CG-CB 4.46Å; P74-E76 HydrophobicContact CG-CG 4.29Å; P74-E76 PolarHBondContact O-N 2.95Å; E76-L92 WeakPolarHBondContact O-CB 3.29Å; E76-L92 WeakPolarHBondContact O-CG 3.3Å; E76-L92 PolarHBondContact O-N 2.88Å
77	L	94.4	Very high	95.2	Very high	26 Å²	26	29.4 Å²	29.4	14%	0.136	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.3	-179.8	-58.1	179.8	0	0	0	110.1	N72 W90 D91 L98 F113 I134	N72-L77 HydrophobicContact CB-CB 4.24Å; N72-L77 PolarHBondContact N-O 3.16Å; N72-L77 WeakPolarHBondContact ND2-CB 3.4Å; N72-L77 PolarHBondContact ND2-N 3.35Å; N72-L77 PolarHBondContact OD1-N 3.34Å; N72-L77 PolarHBondContact OD1-O 2.84Å; L77-W90 WeakPolarHBondContact CA-O 3.48Å; L77-D91 HydrophobicContact CD2-CB 4.16Å; L77-L98 HydrophobicContact CD1-CD2 4.46Å; L77-L98 HydrophobicContact CD2-CD2 4.06Å; L77-F113 HydrophobicContact CB-CE1 4.34Å; L77-F113 HydrophobicContact CB-CZ 3.98Å; L77-I134 HydrophobicContact CD1-CD1 4.48Å
78	I	96.3	Very high	95.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.5	170.3	-169	169.5	0	0	0	109.3	A37 V45 L47 L59 V69 R70 L71 V89 W90 L92	A37-I78 HydrophobicContact CB-CD1 3.54Å; V45-I78 HydrophobicContact CG1-CD1 3.67Å; L47-I78 HydrophobicContact CD2-CD1 4.25Å; L59-I78 HydrophobicContact CD1-CD1 4.3Å; L59-I78 HydrophobicContact CD1-CG2 3.49Å; L59-I78 VanDerWaalsContact CD1-CG2 3.49Å; V69-I78 HydrophobicContact CG1-CD1 3.63Å; V69-I78 HydrophobicContact CG1-CG1 3.8Å; R70-I78 WeakPolarHBondContact O-CA 3.3Å; R70-I78 WeakPolarHBondContact O-CG1 3.28Å; L71-I78 HydrophobicContact CD2-CB 3.86Å; L71-I78 HydrophobicContact CD2-CD1 3.98Å; L71-I78 HydrophobicContact CD2-CG1 3.91Å; I78-V89 CarbonylContact O-C 3.56Å; I78-V89 VanDerWaalsContact O-CA 3.32Å; I78-V89 WeakPolarHBondContact O-CA 3.22Å; I78-W90 HydrophobicContact CG2-CB 3.72Å; I78-W90 HydrophobicContact CG2-CD2 4.37Å; I78-W90 HydrophobicContact CG2-CE3 3.94Å; I78-W90 HydrophobicContact CG2-CG 4.34Å; I78-W90 PolarHBondContact N-O 2.68Å; I78-W90 VanDerWaalsContact N-O 3.1Å; I78-W90 PolarHBondContact O-N 3.14Å; I78-L92 HydrophobicContact CB-CD1 4.4Å; I78-L92 HydrophobicContact CB-CD2 4.19Å; I78-L92 HydrophobicContact CB-CG 4.48Å; I78-L92 HydrophobicContact CG2-CD2 3.56Å; I78-L92 HydrophobicContact CG2-CG 4.23Å
79	V	97.1	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.9	171.4	64.7	0	0	0	0	109.2	V69 R70 I87 R88 V89 L111 F113 V120	V69-V79 CarbonylContact C-O 3.57Å; V69-V79 WeakPolarHBondContact CA-O 3.5Å; R70-V79 HydrophobicContact CB-CG1 3.76Å; R70-V79 PolarHBondContact N-O 2.81Å; R70-V79 PolarHBondContact O-N 3.43Å; V79-I87 HydrophobicContact CG2-CG2 3.37Å; V79-R88 WeakPolarHBondContact CA-O 3.31Å; V79-R88 WeakPolarHBondContact CG2-O 3.43Å; V79-V89 HydrophobicContact CB-CG2 4.24Å; V79-V89 HydrophobicContact CG2-CG2 3.85Å; V79-L111 HydrophobicContact CG1-CB 4.11Å; V79-L111 HydrophobicContact CG1-CD1 4.17Å; V79-L111 HydrophobicContact CG2-CD1 4.07Å; V79-L111 HydrophobicContact CG2-CD2 4.15Å; V79-F113 HydrophobicContact CB-CE1 4.46Å; V79-F113 HydrophobicContact CB-CE2 3.93Å; V79-F113 HydrophobicContact CB-CZ 3.66Å; V79-F113 HydrophobicContact CG1-CD2 4.04Å; V79-F113 HydrophobicContact CG1-CE1 4.43Å; V79-F113 HydrophobicContact CG1-CE2 3.41Å; V79-F113 VanDerWaalsContact CG1-CE2 3.41Å; V79-F113 HydrophobicContact CG1-CZ 3.64Å; V79-V120 HydrophobicContact CG1-CG1 4.42Å; V79-V120 HydrophobicContact CG2-CG1 4.13Å
80	A	97.8	Very high	95	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.5	175.9	0	0	0	0	0	110.8	V45 H62 V66 S68 V69 I87 R88 W90	V45-A80 HydrophobicContact CG2-CB 3.71Å; H62-A80 PolarHBondContact NE2-O 2.86Å; V66-A80 HydrophobicContact CG1-CB 3.74Å; S68-A80 CarbonylContact O-C 3.56Å; S68-A80 VanDerWaalsContact O-CA 3.27Å; S68-A80 WeakPolarHBondContact O-CA 3.45Å; V69-A80 HydrophobicContact CG2-CB 4.01Å; A80-I87 CarbonylContact O-C 3.17Å; A80-I87 VanDerWaalsContact O-CA 3.26Å; A80-I87 WeakPolarHBondContact O-CA 3.26Å; A80-R88 PolarHBondContact N-O 2.68Å; A80-R88 PolarHBondContact O-N 2.96Å; A80-W90 HydrophobicContact CB-CH2 3.77Å; A80-W90 HydrophobicContact CB-CZ3 3.44Å; A80-W90 VanDerWaalsContact CB-CZ3 3.44Å
81	G	97.4	Very high	94.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.7	-177	0	0	0	0	0	108.8	E67 S68 L111	E67-G81 PolarHBondContact N-O 3.46Å; S68-G81 PolarHBondContact N-O 2.98Å; S68-G81 VanDerWaalsContact N-O 3.14Å; S68-G81 PolarHBondContact O-N 3.48Å; G81-L111 VanDerWaalsContact N-CD1 3.28Å
82	S	97.3	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	165.3	-175.2	65.7	0	0	0	0	112.9	H62 S64 P65 S84 G85 S86 I108	H62-S82 WeakPolarHBondContact ND1-CB 3.28Å; H62-S82 PolarHBondContact ND1-OG 3.32Å; S64-S82 VanDerWaalsContact OG-CB 3.28Å; S64-S82 WeakPolarHBondContact OG-CB 3.08Å; S64-S82 PolarHBondContact OG-OG 2.97Å; P65-S82 CarbonylContact O-C 3.58Å; P65-S82 WeakPolarHBondContact O-CA 3.16Å; P65-S82 WeakPolarHBondContact O-CB 3.3Å; S82-S84 PolarHBondContact O-N 3.08Å; S82-S84 PolarHBondContact OG-OG 3.44Å; S82-G85 PolarHBondContact O-N 3.27Å; S82-S86 PolarHBondContact N-O 3.27Å; S82-S86 WeakPolarHBondContact OG-CB 3.44Å; S82-S86 PolarHBondContact OG-N 3.42Å; S82-S86 PolarHBondContact OG-O 3.05Å; S82-I108 PolarHBondContact O-N 3.25Å
83	Q	96.7	Very high	94.5	Very high	82 Å²	82	30.1 Å²	30.1	38%	0.383	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.7	176	171	160.2	93.6	0	0	113	P65 E67 G85 N107	P65-Q83 HydrophobicContact CB-CB 4.2Å; P65-Q83 PolarHBondContact O-N 2.93Å; E67-Q83 HydrophobicContact CG-CB 3.92Å; E67-Q83 PolarHBondContact OE1-NE2 3.07Å; Q83-G85 PolarHBondContact O-N 3.24Å; Q83-N107 VanDerWaalsContact CG-ND2 3.34Å; Q83-N107 WeakPolarHBondContact CG-ND2 3.22Å; Q83-N107 PolarHBondContact NE2-ND2 3.3Å; Q83-N107 VanDerWaalsContact O-CA 3.24Å; Q83-N107 WeakPolarHBondContact O-CA 3.5Å; Q83-N107 PolarHBondContact O-N 2.9Å; Q83-N107 VanDerWaalsContact O-N 3.12Å; Q83-N107 PolarHBondContact O-OD1 3.27Å
84	S	95.4	Very high	94.5	Very high	62 Å²	62	27.7 Å²	27.7	43%	0.434	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9	175.8	60.5	0	0	0	0	114.7	S64 S82	S64-S84 WeakPolarHBondContact OG-CB 3.27Å; S64-S84 PolarHBondContact OG-N 3.21Å; S64-S84 VanDerWaalsContact OG-N 3.09Å; S64-S84 PolarHBondContact OG-OG 2.91Å; S82-S84 PolarHBondContact O-N 3.08Å; S82-S84 PolarHBondContact OG-OG 3.44Å
85	G	94.9	Very high	94.6	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	86.6	4.2	-172.8	0	0	0	0	0	114.2	S82 Q83 A106	S82-G85 PolarHBondContact O-N 3.27Å; Q83-G85 PolarHBondContact O-N 3.24Å; G85-A106 WeakPolarHBondContact CA-O 3.48Å
86	S	95.2	Very high	94.5	Very high	10 Å²	10	30.7 Å²	30.7	7%	0.07	16%	0.161	C	C	.	.			trans	-76.3	137	168.8	180	0	0	0	0	110.1	H62 S82	H62-S86 PolarHBondContact CE1-O 3.41Å; S82-S86 PolarHBondContact N-O 3.27Å; S82-S86 WeakPolarHBondContact OG-CB 3.44Å; S82-S86 PolarHBondContact OG-N 3.42Å; S82-S86 PolarHBondContact OG-O 3.05Å
87	I	96.5	Very high	94.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.6	172.4	-61.7	162	0	0	0	107.8	V79 A80 L101 I108 L111 S122 W132	V79-I87 HydrophobicContact CG2-CG2 3.37Å; A80-I87 CarbonylContact O-C 3.17Å; A80-I87 VanDerWaalsContact O-CA 3.26Å; A80-I87 WeakPolarHBondContact O-CA 3.26Å; I87-L101 HydrophobicContact CB-CB 4.06Å; I87-L101 HydrophobicContact CG2-CB 4.42Å; I87-L101 HydrophobicContact CG2-CD1 4.23Å; I87-L101 PolarHBondContact N-O 3.27Å; I87-L101 PolarHBondContact O-N 2.97Å; I87-I108 HydrophobicContact CD1-CD1 4.01Å; I87-I108 HydrophobicContact CD1-CG1 4.28Å; I87-I108 HydrophobicContact CG1-CD1 3.98Å; I87-I108 HydrophobicContact CG1-CG1 3.74Å; I87-I108 HydrophobicContact CG1-CG2 4.35Å; I87-L111 HydrophobicContact CD1-CD2 4.15Å; I87-L111 HydrophobicContact CG1-CD2 4.36Å; I87-L111 HydrophobicContact CG2-CD2 4.23Å; I87-S122 VanDerWaalsContact CD1-CB 3.41Å; I87-S122 WeakPolarHBondContact CD1-OG 3.44Å; I87-W132 HydrophobicContact CD1-CZ2 4.09Å
88	R	95.6	Very high	94.3	Very high	14 Å²	14	28.5 Å²	28.5	5%	0.053	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.7	174.3	-74.9	175.4	178.5	-121.9	-0.2	109.3	G61 V79 A80 W90 R99 T100 S372	G61-R88 VanDerWaalsContact CA-NH1 3.33Å; G61-R88 PolarHBondContact O-NE 3.21Å; G61-R88 PolarHBondContact O-NH1 3.44Å; G61-R88 PolarHBondContact O-NH2 3.21Å; V79-R88 WeakPolarHBondContact CA-O 3.31Å; V79-R88 WeakPolarHBondContact CG2-O 3.43Å; A80-R88 PolarHBondContact N-O 2.68Å; A80-R88 PolarHBondContact O-N 2.96Å; R88-W90 VanDerWaalsContact C-CZ3 3.48Å; R88-W90 HydrophobicContact CB-CD2 4.46Å; R88-W90 HydrophobicContact CB-CE3 4.1Å; R88-W90 HydrophobicContact CB-CH2 3.28Å; R88-W90 HydrophobicContact CB-CZ2 3.65Å; R88-W90 HydrophobicContact CB-CZ3 3.51Å; R88-W90 HydrophobicContact CG-CH2 4.35Å; R88-W90 HydrophobicContact CG-CZ2 4.44Å; R88-W90 WeakPolarHBondContact O-CZ3 3.35Å; R88-R99 CarbonylContact C-O 3.57Å; R88-R99 WeakPolarHBondContact CA-O 3.5Å; R88-T100 HydrophobicContact CG-CG2 4.1Å; R88-S372 PolarHBondContact NH1-OG 3.43Å
89	V	95.4	Very high	94.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.1	176.3	-174.9	0	0	0	0	107.1	I78 V79 L98 R99 L101	I78-V89 CarbonylContact O-C 3.56Å; I78-V89 VanDerWaalsContact O-CA 3.32Å; I78-V89 WeakPolarHBondContact O-CA 3.22Å; V79-V89 HydrophobicContact CB-CG2 4.24Å; V79-V89 HydrophobicContact CG2-CG2 3.85Å; V89-L98 HydrophobicContact CG1-CB 4.4Å; V89-L98 HydrophobicContact CG1-CD2 4.24Å; V89-L98 WeakPolarHBondContact O-CA 3.47Å; V89-L98 WeakPolarHBondContact O-CB 3.27Å; V89-L98 PolarHBondContact O-N 2.86Å; V89-R99 HydrophobicContact CB-CB 4.31Å; V89-R99 HydrophobicContact CG2-CB 4.48Å; V89-R99 PolarHBondContact N-O 3.37Å; V89-R99 PolarHBondContact O-N 2.91Å; V89-R99 VanDerWaalsContact O-N 3.11Å; V89-L101 HydrophobicContact CG2-CD1 4.22Å
90	W	95.4	Very high	93.9	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.6	175.7	-59.4	-111.2	0	0	0	110.2	L59 H62 L77 I78 A80 R88 K96 I97	L59-W90 HydrophobicContact CB-CD2 4.38Å; L59-W90 HydrophobicContact CB-CG 4.49Å; L59-W90 HydrophobicContact CB-CZ2 4.33Å; L59-W90 HydrophobicContact CD1-CB 4.2Å; L59-W90 HydrophobicContact CD1-CD2 4.06Å; L59-W90 HydrophobicContact CD1-CE3 4.43Å; L59-W90 HydrophobicContact CD1-CG 3.97Å; L59-W90 HydrophobicContact CD2-CG 4.24Å; L59-W90 HydrophobicContact CG-CG 4.48Å; H62-W90 AromaticContact CD2-CH2 3.59Å; H62-W90 AromaticContact NE2-CH2 3.43Å; H62-W90 WeakPolarHBondContact NE2-CH2 3.4Å; L77-W90 WeakPolarHBondContact CA-O 3.48Å; I78-W90 HydrophobicContact CG2-CB 3.72Å; I78-W90 HydrophobicContact CG2-CD2 4.37Å; I78-W90 HydrophobicContact CG2-CE3 3.94Å; I78-W90 HydrophobicContact CG2-CG 4.34Å; I78-W90 PolarHBondContact N-O 2.68Å; I78-W90 VanDerWaalsContact N-O 3.1Å; I78-W90 PolarHBondContact O-N 3.14Å; A80-W90 HydrophobicContact CB-CH2 3.77Å; A80-W90 HydrophobicContact CB-CZ3 3.44Å; A80-W90 VanDerWaalsContact CB-CZ3 3.44Å; R88-W90 VanDerWaalsContact C-CZ3 3.48Å; R88-W90 HydrophobicContact CB-CD2 4.46Å; R88-W90 HydrophobicContact CB-CE3 4.1Å; R88-W90 HydrophobicContact CB-CH2 3.28Å; R88-W90 HydrophobicContact CB-CZ2 3.65Å; R88-W90 HydrophobicContact CB-CZ3 3.51Å; R88-W90 HydrophobicContact CG-CH2 4.35Å; R88-W90 HydrophobicContact CG-CZ2 4.44Å; R88-W90 WeakPolarHBondContact O-CZ3 3.35Å; W90-K96 VanDerWaalsContact CA-O 3.31Å; W90-K96 WeakPolarHBondContact CA-O 3.43Å; W90-I97 VanDerWaalsContact CD1-CG1 3.42Å; W90-I97 HydrophobicContact CD2-CG1 4.48Å; W90-I97 HydrophobicContact CG-CG1 4.19Å
91	D	93.3	Very high	93.7	Very high	43 Å²	43	33.7 Å²	33.7	23%	0.23	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.9	164.2	-179.8	-23	0	0	0	108	L77 E93 A94 A95 K96	L77-D91 HydrophobicContact CD2-CB 4.16Å; D91-E93 PolarHBondContact OD1-N 3.18Å; D91-A94 HydrophobicContact CB-CB 4.03Å; D91-A94 PolarHBondContact OD1-N 3.49Å; D91-A95 VanDerWaalsContact O-CA 3.28Å; D91-A95 WeakPolarHBondContact O-CA 3.48Å; D91-A95 PolarHBondContact O-N 2.92Å; D91-K96 PolarHBondContact N-O 3.32Å; D91-K96 PolarHBondContact O-N 3.4Å; D91-K96 VanDerWaalsContact O-N 3.14Å
92	L	92.2	Very high	93.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-31.2	-177	-60.4	-175.6	0	0	0	112.1	L35 L47 M57 L59 L71 E75 E76 I78 Y382 F386	L35-L92 HydrophobicContact CD2-CD1 4.4Å; L47-L92 HydrophobicContact CD1-CD1 4.27Å; L47-L92 HydrophobicContact CD1-CD2 3.44Å; L47-L92 VanDerWaalsContact CD1-CD2 3.44Å; L47-L92 HydrophobicContact CD1-CG 4.48Å; M57-L92 HydrophobicContact SD-CD2 4.21Å; L59-L92 HydrophobicContact CD1-CD2 4.18Å; L71-L92 HydrophobicContact CD2-CD1 3.93Å; E75-L92 WeakPolarHBondContact O-CD1 3.45Å; E76-L92 WeakPolarHBondContact O-CB 3.29Å; E76-L92 WeakPolarHBondContact O-CG 3.3Å; E76-L92 PolarHBondContact O-N 2.88Å; I78-L92 HydrophobicContact CB-CD1 4.4Å; I78-L92 HydrophobicContact CB-CD2 4.19Å; I78-L92 HydrophobicContact CB-CG 4.48Å; I78-L92 HydrophobicContact CG2-CD2 3.56Å; I78-L92 HydrophobicContact CG2-CG 4.23Å; L92-Y382 WeakPolarHBondContact O-CE2 3.45Å; L92-F386 HydrophobicContact CB-CD1 3.71Å; L92-F386 HydrophobicContact CB-CE1 3.65Å; L92-F386 HydrophobicContact CB-CG 4.44Å; L92-F386 HydrophobicContact CB-CZ 4.31Å; L92-F386 HydrophobicContact CD1-CE1 3.67Å; L92-F386 HydrophobicContact CD1-CZ 4.1Å; L92-F386 HydrophobicContact CG-CE1 4.27Å
93	E	91.2	Very high	93.1	Very high	97 Å²	97	40.3 Å²	40.3	45%	0.453	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-45.3	174.1	179.9	176.8	-178.7	0	0	110.2	D91 A95 Y382 P388	D91-E93 PolarHBondContact OD1-N 3.18Å; E93-A95 VanDerWaalsContact C-N 3.28Å; E93-A95 PolarHBondContact O-N 3.39Å; E93-Y382 PolarHBondContact O-OH 2.93Å; E93-P388 WeakPolarHBondContact OE1-CD 3.39Å
94	A	89.6	Confident	93.1	Very high	44 Å²	44	37 Å²	37	36%	0.364	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.7	178.5	0	0	0	0	0	113.7	D91 K96	D91-A94 HydrophobicContact CB-CB 4.03Å; D91-A94 PolarHBondContact OD1-N 3.49Å; A94-K96 VanDerWaalsContact C-N 3.25Å; A94-K96 HydrophobicContact CB-CB 4.38Å; A94-K96 WeakPolarHBondContact O-CG 3.32Å; A94-K96 PolarHBondContact O-N 3.38Å
95	A	90	Very high	93.1	Very high	13 Å²	13	42.9 Å²	42.9	11%	0.107	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	44.7	-173.4	0	0	0	0	0	112.3	D91 E93 A374 I376 Y382	D91-A95 VanDerWaalsContact O-CA 3.28Å; D91-A95 WeakPolarHBondContact O-CA 3.48Å; D91-A95 PolarHBondContact O-N 2.92Å; E93-A95 VanDerWaalsContact C-N 3.28Å; E93-A95 PolarHBondContact O-N 3.39Å; A95-A374 HydrophobicContact CB-CB 3.76Å; A95-A374 WeakPolarHBondContact O-CB 3.49Å; A95-I376 HydrophobicContact CB-CD1 4.25Å; A95-I376 HydrophobicContact CB-CG1 4.43Å; A95-Y382 HydrophobicContact CB-CE2 4.18Å
96	K	90.7	Very high	93.1	Very high	143 Å²	143	43.9 Å²	43.9	62%	0.622	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.3	-173.1	-77.3	171.2	-169.6	174	0	111.7	W90 D91 A94 L98	W90-K96 VanDerWaalsContact CA-O 3.31Å; W90-K96 WeakPolarHBondContact CA-O 3.43Å; D91-K96 PolarHBondContact N-O 3.32Å; D91-K96 PolarHBondContact O-N 3.4Å; D91-K96 VanDerWaalsContact O-N 3.14Å; A94-K96 VanDerWaalsContact C-N 3.25Å; A94-K96 HydrophobicContact CB-CB 4.38Å; A94-K96 WeakPolarHBondContact O-CG 3.32Å; A94-K96 PolarHBondContact O-N 3.38Å; K96-L98 PolarHBondContact O-N 3.31Å
97	I	91.6	Very high	93.2	Very high	33 Å²	33	44.9 Å²	44.9	17%	0.169	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	122.1	168.3	-64.4	-170.7	0	0	0	108.7	W90 S372	W90-I97 VanDerWaalsContact CD1-CG1 3.42Å; W90-I97 HydrophobicContact CD2-CG1 4.48Å; W90-I97 HydrophobicContact CG-CG1 4.19Å; I97-S372 WeakPolarHBondContact CD1-OG 3.33Å
98	L	91.4	Very high	93.2	Very high	54 Å²	54	44.9 Å²	44.9	28%	0.283	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-45.7	172.2	-172.8	68.5	0	0	0	110	L77 V89 K96 I134	L77-L98 HydrophobicContact CD1-CD2 4.46Å; L77-L98 HydrophobicContact CD2-CD2 4.06Å; V89-L98 HydrophobicContact CG1-CB 4.4Å; V89-L98 HydrophobicContact CG1-CD2 4.24Å; V89-L98 WeakPolarHBondContact O-CA 3.47Å; V89-L98 WeakPolarHBondContact O-CB 3.27Å; V89-L98 PolarHBondContact O-N 2.86Å; K96-L98 PolarHBondContact O-N 3.31Å; L98-I134 HydrophobicContact CD2-CG2 3.63Å; L98-I134 HydrophobicContact CG-CG2 4.44Å
99	R	91.6	Very high	93.3	Very high	77 Å²	77	46.3 Å²	46.3	29%	0.291	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.5	-178.3	-66.2	-63.2	177.5	-108.2	5	113.3	R88 V89 L101 I134	R88-R99 CarbonylContact C-O 3.57Å; R88-R99 WeakPolarHBondContact CA-O 3.5Å; V89-R99 HydrophobicContact CB-CB 4.31Å; V89-R99 HydrophobicContact CG2-CB 4.48Å; V89-R99 PolarHBondContact N-O 3.37Å; V89-R99 PolarHBondContact O-N 2.91Å; V89-R99 VanDerWaalsContact O-N 3.11Å; R99-L101 HydrophobicContact CB-CD2 4.46Å; R99-L101 HydrophobicContact CB-CG 4.47Å; R99-I134 HydrophobicContact CG-CG2 4.07Å; R99-I134 VanDerWaalsContact CG-O 3.31Å; R99-I134 WeakPolarHBondContact CG-O 3.46Å; R99-I134 PolarHBondContact NE-O 3.47Å
100	T	93.3	Very high	93.4	Very high	29 Å²	29	46.8 Å²	46.8	18%	0.178	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.7	161.6	-52	0	0	0	0	108.8	R88 M102 E369	R88-T100 HydrophobicContact CG-CG2 4.1Å; T100-M102 HydrophobicContact CG2-CE 4.45Å; T100-M102 HydrophobicContact CG2-CG 4.35Å; T100-E369 PolarHBondContact OG1-OE1 3.44Å
101	L	93.3	Very high	93.5	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.4	-177.5	-58.5	172.2	0	0	0	108.9	I87 V89 R99 W132	I87-L101 HydrophobicContact CB-CB 4.06Å; I87-L101 HydrophobicContact CG2-CB 4.42Å; I87-L101 HydrophobicContact CG2-CD1 4.23Å; I87-L101 PolarHBondContact N-O 3.27Å; I87-L101 PolarHBondContact O-N 2.97Å; V89-L101 HydrophobicContact CG2-CD1 4.22Å; R99-L101 HydrophobicContact CB-CD2 4.46Å; R99-L101 HydrophobicContact CB-CG 4.47Å; L101-W132 HydrophobicContact CB-CD2 4.19Å; L101-W132 HydrophobicContact CB-CE3 3.99Å; L101-W132 HydrophobicContact CB-CZ3 4.22Å; L101-W132 HydrophobicContact CD1-CB 3.69Å; L101-W132 HydrophobicContact CD1-CD2 4.14Å; L101-W132 HydrophobicContact CD1-CE3 4.45Å; L101-W132 HydrophobicContact CD1-CG 3.81Å; L101-W132 HydrophobicContact CD2-CB 4.49Å; L101-W132 HydrophobicContact CD2-CE3 4.12Å; L101-W132 HydrophobicContact CG-CE3 4.41Å
102	M	92.1	Very high	93.7	Very high	103 Å²	103	45.7 Å²	45.7	51%	0.507	24%	0.241	S	C	.	.			trans	-120.8	146.6	-177.6	-69.7	-173.3	159.2	0	0	111.5	T100 W132	T100-M102 HydrophobicContact CG2-CE 4.45Å; T100-M102 HydrophobicContact CG2-CG 4.35Å; M102-W132 VanDerWaalsContact O-CH2 3.27Å; M102-W132 WeakPolarHBondContact O-CH2 3.36Å; M102-W132 WeakPolarHBondContact O-CZ3 3.34Å
103	G	90.1	Very high	93.9	Very high	37 Å²	37	46.5 Å²	46.5	38%	0.381	25%	0.245	S	C	.	.			trans	145.2	-3.3	170.7	0	0	0	0	0	116.3	K130	G103-K130 VanDerWaalsContact O-CE 3.25Å; G103-K130 WeakPolarHBondContact O-CE 3.06Å
104	H	95.6	Very high	94.1	Very high	13 Å²	13	43.4 Å²	43.4	6%	0.06	23%	0.23	C	C	.	.			trans	-75.3	154.4	160	-82.4	-69.5	0	0	0	110.4	I108 S122 S124 D126 N128 K130 W132	H104-I108 HydrophobicContact CB-CD1 3.59Å; H104-I108 WeakPolarHBondContact CD2-CD1 3.36Å; H104-S122 PolarHBondContact CD2-OG 3.3Å; H104-S122 PolarHBondContact NE2-OG 3.33Å; H104-S124 VanDerWaalsContact CE1-CB 3.46Å; H104-S124 WeakPolarHBondContact CE1-CB 3Å; H104-S124 WeakPolarHBondContact ND1-CB 3.48Å; H104-D126 WeakPolarHBondContact CA-OD2 3.23Å; H104-D126 IonicContact CE1-OD1 3.12Å; H104-D126 IonicContact CG-OD2 3.76Å; H104-D126 IonicContact ND1-OD1 3.33Å; H104-D126 PolarHBondContact ND1-OD1 2.89Å; H104-D126 IonicContact ND1-OD2 3.39Å; H104-D126 PolarHBondContact ND1-OD2 3.45Å; H104-N128 PolarHBondContact CE1-O 3.44Å; H104-K130 WeakPolarHBondContact NE2-CD 3.36Å; H104-W132 AromaticContact CD2-CZ2 3.93Å
105	K	95.4	Very high	94.2	Very high	185 Å²	185	43.5 Å²	43.5	80%	0.804	23%	0.227	S	C	*	.	S	Bend	trans	-103.1	-5.9	-177.3	-64.3	-176.2	177.1	-175.3	0	113.8	D126	K105-D126 HydrophobicContact CB-CB 4.21Å; K105-D126 PolarHBondContact N-OD2 3.45Å
106	A	96.2	Very high	93.9	Very high	23 Å²	23	49.2 Å²	49.2	19%	0.19	25%	0.247	C	C	.	.	S	Bend	trans	-153.1	-179.7	-176.2	0	0	0	0	0	109.8	G85 S124 Q125 D126	G85-A106 WeakPolarHBondContact CA-O 3.48Å; A106-S124 PolarHBondContact O-OG 2.97Å; A106-S124 VanDerWaalsContact O-OG 3.06Å; A106-Q125 HydrophobicContact CB-CB 4.06Å; A106-D126 HydrophobicContact CB-CB 4.09Å
107	N	96.2	Very high	93.3	Very high	31 Å²	31	43.6 Å²	43.6	17%	0.166	23%	0.23	C	C	.	.			trans	-45.6	137.1	-176.9	-51.7	42.6	0	0	0	112.4	E67 Q83 S124 Q125	E67-N107 HydrophobicContact CG-CB 4.41Å; E67-N107 PolarHBondContact OE1-ND2 3.38Å; Q83-N107 VanDerWaalsContact CG-ND2 3.34Å; Q83-N107 WeakPolarHBondContact CG-ND2 3.22Å; Q83-N107 PolarHBondContact NE2-ND2 3.3Å; Q83-N107 VanDerWaalsContact O-CA 3.24Å; Q83-N107 WeakPolarHBondContact O-CA 3.5Å; Q83-N107 PolarHBondContact O-N 2.9Å; Q83-N107 VanDerWaalsContact O-N 3.12Å; Q83-N107 PolarHBondContact O-OD1 3.27Å; N107-S124 VanDerWaalsContact O-CA 3.23Å; N107-S124 WeakPolarHBondContact O-CA 3.42Å; N107-S124 WeakPolarHBondContact O-CB 3.39Å; N107-S124 PolarHBondContact O-OG 3.35Å; N107-Q125 HydrophobicContact CB-CB 4.32Å; N107-Q125 PolarHBondContact O-N 3.38Å; N107-Q125 PolarHBondContact OD1-OE1 3.29Å
108	I	98.1	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.1	170.9	-50.4	-58.4	0	0	0	108.3	E67 S68 S82 I87 H104 L111	E67-I108 WeakPolarHBondContact CB-O 3.46Å; S68-I108 WeakPolarHBondContact OG-CG2 3.41Å; S68-I108 PolarHBondContact OG-O 3.49Å; S82-I108 PolarHBondContact O-N 3.25Å; I87-I108 HydrophobicContact CD1-CD1 4.01Å; I87-I108 HydrophobicContact CD1-CG1 4.28Å; I87-I108 HydrophobicContact CG1-CD1 3.98Å; I87-I108 HydrophobicContact CG1-CG1 3.74Å; I87-I108 HydrophobicContact CG1-CG2 4.35Å; H104-I108 HydrophobicContact CB-CD1 3.59Å; H104-I108 WeakPolarHBondContact CD2-CD1 3.36Å; I108-L111 HydrophobicContact CG2-CD1 4.21Å; I108-L111 HydrophobicContact CG2-CD2 3.94Å; I108-L111 HydrophobicContact CG2-CG 3.81Å
109	C	96.9	Very high	93.2	Very high	44 Å²	44	47.1 Å²	47.1	30%	0.297	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-26.7	-176.2	-58.8	0	0	0	0	112.3	G123 V150	C109-G123 PolarHBondContact N-O 2.98Å; C109-V150 VanDerWaalsContact CB-O 3.27Å; C109-V150 WeakPolarHBondContact CB-O 3.17Å
110	S	96.8	Very high	93.5	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	146.2	-177.6	50.9	0	0	0	0	112.6	S122 G123 V150 R151	S110-S122 CarbonylContact O-C 3.53Å; S110-S122 WeakPolarHBondContact O-CA 3.48Å; S110-G123 PolarHBondContact N-O 3.34Å; S110-G123 VanDerWaalsContact N-O 3.15Å; S110-G123 PolarHBondContact O-N 2.91Å; S110-V150 PolarHBondContact OG-O 3.04Å; S110-V150 VanDerWaalsContact OG-O 3.04Å; S110-R151 WeakPolarHBondContact CB-O 3.43Å
111	L	97.9	Very high	93.7	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.5	179.6	-73.5	165.1	0	0	0	109.3	S68 R70 V79 G81 I87 I108 V120 A121	S68-L111 WeakPolarHBondContact OG-CD1 3.47Å; R70-L111 HydrophobicContact CB-CB 4.13Å; V79-L111 HydrophobicContact CG1-CB 4.11Å; V79-L111 HydrophobicContact CG1-CD1 4.17Å; V79-L111 HydrophobicContact CG2-CD1 4.07Å; V79-L111 HydrophobicContact CG2-CD2 4.15Å; G81-L111 VanDerWaalsContact N-CD1 3.28Å; I87-L111 HydrophobicContact CD1-CD2 4.15Å; I87-L111 HydrophobicContact CG1-CD2 4.36Å; I87-L111 HydrophobicContact CG2-CD2 4.23Å; I108-L111 HydrophobicContact CG2-CD1 4.21Å; I108-L111 HydrophobicContact CG2-CD2 3.94Å; I108-L111 HydrophobicContact CG2-CG 3.81Å; L111-V120 HydrophobicContact CD2-CG1 3.94Å; L111-A121 WeakPolarHBondContact CA-O 3.49Å
112	D	97.8	Very high	93.9	Very high	13 Å²	13	42 Å²	42	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150	168	-151	32	0	0	0	111.4	R70 V120 A121 R154 F155	R70-D112 IonicContact CZ-OD1 2.85Å; R70-D112 IonicContact NE-OD1 3.53Å; R70-D112 PolarHBondContact NE-OD1 2.99Å; R70-D112 IonicContact NH2-OD1 3.23Å; D112-V120 WeakPolarHBondContact O-CA 3.35Å; D112-A121 PolarHBondContact N-O 2.85Å; D112-A121 PolarHBondContact O-N 3.37Å; D112-R154 IonicContact OD1-NH1 3.77Å; D112-R154 PolarHBondContact OD1-NH1 3.29Å; D112-R154 VanDerWaalsContact OD2-CA 3.31Å; D112-R154 WeakPolarHBondContact OD2-CA 3.36Å; D112-F155 HydrophobicContact CB-CD2 3.88Å; D112-F155 HydrophobicContact CB-CE2 4.24Å; D112-F155 WeakPolarHBondContact O-CE2 3.19Å; D112-F155 PolarHBondContact OD2-N 3.02Å
113	F	96.5	Very high	94.2	Very high	17 Å²	17	37 Å²	37	8%	0.075	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.3	172.8	-80	-79	0	0	0	109.9	R70 N72 L77 V79 V120 I134 F155	R70-F113 HydrophobicContact CG-CD2 4.27Å; R70-F113 WeakPolarHBondContact O-CE2 3.39Å; N72-F113 HydrophobicContact CB-CB 4.33Å; N72-F113 HydrophobicContact CB-CD1 4.19Å; N72-F113 HydrophobicContact CB-CD2 3.7Å; N72-F113 HydrophobicContact CB-CE1 4.4Å; N72-F113 HydrophobicContact CB-CE2 3.9Å; N72-F113 HydrophobicContact CB-CG 3.83Å; N72-F113 HydrophobicContact CB-CZ 4.26Å; L77-F113 HydrophobicContact CB-CE1 4.34Å; L77-F113 HydrophobicContact CB-CZ 3.98Å; V79-F113 HydrophobicContact CB-CE1 4.46Å; V79-F113 HydrophobicContact CB-CE2 3.93Å; V79-F113 HydrophobicContact CB-CZ 3.66Å; V79-F113 HydrophobicContact CG1-CD2 4.04Å; V79-F113 HydrophobicContact CG1-CE1 4.43Å; V79-F113 HydrophobicContact CG1-CE2 3.41Å; V79-F113 VanDerWaalsContact CG1-CE2 3.41Å; V79-F113 HydrophobicContact CG1-CZ 3.64Å; F113-V120 HydrophobicContact CD1-CG2 3.63Å; F113-V120 HydrophobicContact CE1-CG2 3.53Å; F113-V120 HydrophobicContact CZ-CG2 4.36Å; F113-I134 HydrophobicContact CD1-CD1 4.2Å; F113-I134 HydrophobicContact CE1-CD1 3.85Å; F113-F155 WeakPolarHBondContact O-CD2 3.25Å
114	H	95.6	Very high	94.6	Very high	32 Å²	32	35.3 Å²	35.3	15%	0.148	18%	0.178	C	C	.	.			trans	-68.1	134.3	171.2	-176.9	-83.3	0	0	0	110.1	Y116 G117 F119 F155 G159	H114-Y116 VanDerWaalsContact C-N 3.3Å; H114-Y116 PolarHBondContact ND1-N 3.01Å; H114-Y116 PolarHBondContact O-N 3.04Å; H114-G117 PolarHBondContact ND1-N 3.44Å; H114-F119 HydrophobicContact CB-CB 3.8Å; H114-F119 HydrophobicContact CB-CD2 4.47Å; H114-F119 WeakPolarHBondContact CB-O 3.42Å; H114-F119 PolarHBondContact N-O 3.23Å; H114-F155 HydrophobicContact CB-CD1 4.4Å; H114-F155 HydrophobicContact CB-CD2 4.31Å; H114-F155 HydrophobicContact CB-CE1 4.17Å; H114-F155 HydrophobicContact CB-CE2 4.04Å; H114-F155 HydrophobicContact CB-CG 4.45Å; H114-F155 HydrophobicContact CB-CZ 3.96Å; H114-F155 AromaticContact CD2-CD1 3.7Å; H114-F155 AromaticContact CD2-CE1 3.71Å; H114-G159 WeakPolarHBondContact NE2-CA 3.34Å; H114-G159 PolarHBondContact NE2-O 3.46Å
115	P	90.4	Very high	94.6	Very high	46 Å²	46	39.7 Å²	39.7	30%	0.299	20%	0.198	S	C	.	.	S	Bend	trans	-66.5	-24.6	-169.1	22.9	-34.5	0	0	0	115.2
116	Y	85.1	Confident	94.7	Very high	134 Å²	134	32 Å²	32	53%	0.525	17%	0.166	S	C	.	.	S	Bend	trans	-122.4	-6.6	-175.8	-53.3	-66.9	0	0	0	114.9	H114 P157 D158 K547	H114-Y116 VanDerWaalsContact C-N 3.3Å; H114-Y116 PolarHBondContact ND1-N 3.01Å; H114-Y116 PolarHBondContact O-N 3.04Å; Y116-P157 WeakPolarHBondContact CE2-O 3.31Å; Y116-P157 VanDerWaalsContact CZ-O 3.27Å; Y116-P157 PolarHBondContact OH-O 3.02Å; Y116-D158 VanDerWaalsContact CE2-C 3.5Å; Y116-D158 WeakPolarHBondContact CE2-O 3.33Å; Y116-K547 PolarHBondContact OH-NZ 3.08Å
117	G	78.4	Confident	94.7	Very high	25 Å²	25	33 Å²	33	26%	0.258	17%	0.17	S	C	.	.	S	Bend	trans	-134.1	154.1	-164.5	0	0	0	0	0	109.5	H114 F119	H114-G117 PolarHBondContact ND1-N 3.44Å; G117-F119 PolarHBondContact O-N 2.84Å
118	E	87.4	Confident	94.8	Very high	95 Å²	95	32.5 Å²	32.5	44%	0.444	17%	0.167	S	C	.	.	S	Bend	trans	-78.4	53.3	176.7	-62.4	-170.1	103.1	0	0	110.7	I134 R135	E118-I134 HydrophobicContact CB-CB 4.23Å; E118-I134 HydrophobicContact CB-CD1 4.29Å; E118-I134 WeakPolarHBondContact O-CB 3.42Å; E118-I134 WeakPolarHBondContact O-CG1 3.35Å; E118-I134 PolarHBondContact O-N 3.14Å; E118-R135 HydrophobicContact CB-CG 4.12Å; E118-R135 WeakPolarHBondContact OE2-CD 3.33Å; E118-R135 WeakPolarHBondContact OE2-CG 3.26Å; E118-R135 IonicContact OE2-NE 2.64Å
119	F	93.6	Very high	94.7	Very high	66 Å²	66	32.6 Å²	32.6	29%	0.289	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.3	176.8	-57.9	-77.4	0	0	0	111.3	H114 G117 L131 W132 D133 V140	H114-F119 HydrophobicContact CB-CB 3.8Å; H114-F119 HydrophobicContact CB-CD2 4.47Å; H114-F119 WeakPolarHBondContact CB-O 3.42Å; H114-F119 PolarHBondContact N-O 3.23Å; G117-F119 PolarHBondContact O-N 2.84Å; F119-L131 HydrophobicContact CB-CD1 4.04Å; F119-W132 CarbonylContact C-O 3.59Å; F119-W132 WeakPolarHBondContact CA-O 3.32Å; F119-D133 HydrophobicContact CD1-CB 3.93Å; F119-D133 HydrophobicContact CE1-CB 3.79Å; F119-V140 HydrophobicContact CE1-CG2 4.39Å
120	V	96.2	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.7	170.8	173.8	0	0	0	0	108.3	V79 L111 D112 F113 W132 I134	V79-V120 HydrophobicContact CG1-CG1 4.42Å; V79-V120 HydrophobicContact CG2-CG1 4.13Å; L111-V120 HydrophobicContact CD2-CG1 3.94Å; D112-V120 WeakPolarHBondContact O-CA 3.35Å; F113-V120 HydrophobicContact CD1-CG2 3.63Å; F113-V120 HydrophobicContact CE1-CG2 3.53Å; F113-V120 HydrophobicContact CZ-CG2 4.36Å; V120-W132 HydrophobicContact CB-CB 4.5Å; V120-W132 PolarHBondContact N-O 3.35Å; V120-W132 VanDerWaalsContact O-CD1 3.31Å; V120-W132 PolarHBondContact O-N 3.3Å; V120-I134 HydrophobicContact CG2-CD1 3.86Å; V120-I134 HydrophobicContact CG2-CG1 3.91Å
121	A	97.5	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.7	165.3	0	0	0	0	0	110	L111 D112 K130 L131 L153 F155 L162	L111-A121 WeakPolarHBondContact CA-O 3.49Å; D112-A121 PolarHBondContact N-O 2.85Å; D112-A121 PolarHBondContact O-N 3.37Å; A121-K130 CarbonylContact C-O 3.59Å; A121-K130 WeakPolarHBondContact CA-O 3.36Å; A121-L131 HydrophobicContact CB-CD1 4.33Å; A121-L153 HydrophobicContact CB-CD1 4.18Å; A121-F155 HydrophobicContact CB-CE1 4.39Å; A121-F155 HydrophobicContact CB-CE2 3.55Å; A121-F155 HydrophobicContact CB-CZ 3.44Å; A121-F155 VanDerWaalsContact CB-CZ 3.44Å; A121-L162 HydrophobicContact CB-CD1 3.78Å; A121-L162 HydrophobicContact CB-CD2 3.91Å
122	S	98.1	Very high	94.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.2	175.7	62.5	0	0	0	0	111.8	I87 H104 S110 I129 K130 W132	I87-S122 VanDerWaalsContact CD1-CB 3.41Å; I87-S122 WeakPolarHBondContact CD1-OG 3.44Å; H104-S122 PolarHBondContact CD2-OG 3.3Å; H104-S122 PolarHBondContact NE2-OG 3.33Å; S110-S122 CarbonylContact O-C 3.53Å; S110-S122 WeakPolarHBondContact O-CA 3.48Å; S122-I129 CarbonylContact O-C 3.59Å; S122-I129 VanDerWaalsContact O-CA 3.26Å; S122-I129 WeakPolarHBondContact O-CA 3.21Å; S122-K130 PolarHBondContact N-O 2.96Å; S122-K130 PolarHBondContact O-N 3.06Å; S122-W132 PolarHBondContact OG-NE1 3.36Å
123	G	97.9	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.4	177.3	0	0	0	0	0	108.9	C109 S110	C109-G123 PolarHBondContact N-O 2.98Å; S110-G123 PolarHBondContact N-O 3.34Å; S110-G123 VanDerWaalsContact N-O 3.15Å; S110-G123 PolarHBondContact O-N 2.91Å
124	S	98.1	Very high	94	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	160.4	-171.6	176.6	0	0	0	0	112.3	H104 A106 N107 D126 T127 N128 V150	H104-S124 VanDerWaalsContact CE1-CB 3.46Å; H104-S124 WeakPolarHBondContact CE1-CB 3Å; H104-S124 WeakPolarHBondContact ND1-CB 3.48Å; A106-S124 PolarHBondContact O-OG 2.97Å; A106-S124 VanDerWaalsContact O-OG 3.06Å; N107-S124 VanDerWaalsContact O-CA 3.23Å; N107-S124 WeakPolarHBondContact O-CA 3.42Å; N107-S124 WeakPolarHBondContact O-CB 3.39Å; N107-S124 PolarHBondContact O-OG 3.35Å; S124-D126 WeakPolarHBondContact CB-OD1 3.42Å; S124-D126 PolarHBondContact O-N 3.35Å; S124-D126 PolarHBondContact OG-N 3.14Å; S124-T127 PolarHBondContact O-N 2.92Å; S124-N128 PolarHBondContact N-O 2.88Å; S124-V150 PolarHBondContact O-N 3.22Å; S124-V150 VanDerWaalsContact O-N 3.16Å
125	Q	97.4	Very high	93.6	Very high	105 Å²	105	37.1 Å²	37.1	49%	0.491	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16	164.7	-167.7	168.2	7.3	0	0	112.7	A106 N107 T127 A149	A106-Q125 HydrophobicContact CB-CB 4.06Å; N107-Q125 HydrophobicContact CB-CB 4.32Å; N107-Q125 PolarHBondContact O-N 3.38Å; N107-Q125 PolarHBondContact OD1-OE1 3.29Å; Q125-T127 PolarHBondContact O-N 3.34Å; Q125-T127 VanDerWaalsContact O-N 3.12Å; Q125-A149 HydrophobicContact CB-CB 4.23Å; Q125-A149 HydrophobicContact CG-CB 4.08Å
126	D	96.6	Very high	93.2	Very high	24 Å²	24	43.2 Å²	43.2	13%	0.128	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	8.3	170.9	79	19.1	0	0	0	114.5	H104 K105 A106 S124 N128	H104-D126 WeakPolarHBondContact CA-OD2 3.23Å; H104-D126 IonicContact CE1-OD1 3.12Å; H104-D126 IonicContact CG-OD2 3.76Å; H104-D126 IonicContact ND1-OD1 3.33Å; H104-D126 PolarHBondContact ND1-OD1 2.89Å; H104-D126 IonicContact ND1-OD2 3.39Å; H104-D126 PolarHBondContact ND1-OD2 3.45Å; K105-D126 HydrophobicContact CB-CB 4.21Å; K105-D126 PolarHBondContact N-OD2 3.45Å; A106-D126 HydrophobicContact CB-CB 4.09Å; S124-D126 WeakPolarHBondContact CB-OD1 3.42Å; S124-D126 PolarHBondContact O-N 3.35Å; S124-D126 PolarHBondContact OG-N 3.14Å; D126-N128 PolarHBondContact O-N 2.88Å; D126-N128 VanDerWaalsContact O-N 3.11Å; D126-N128 PolarHBondContact O-ND2 3.39Å; D126-N128 WeakPolarHBondContact OD1-CA 3.4Å; D126-N128 WeakPolarHBondContact OD1-CB 3.34Å; D126-N128 PolarHBondContact OD1-N 2.76Å; D126-N128 PolarHBondContact OD1-ND2 3.42Å
127	T	97.3	Very high	92.4	Very high	44 Å²	44	44.6 Å²	44.6	27%	0.27	20%	0.202	S	C	.	.	S	Bend	trans	65.6	-2.4	-179.6	87.7	0	0	0	0	115.9	S124 Q125 H146 Q148	S124-T127 PolarHBondContact O-N 2.92Å; Q125-T127 PolarHBondContact O-N 3.34Å; Q125-T127 VanDerWaalsContact O-N 3.12Å; T127-H146 WeakPolarHBondContact CB-O 3.25Å; T127-H146 PolarHBondContact OG1-O 3.17Å; T127-Q148 WeakPolarHBondContact CB-O 3.23Å
128	N	96.5	Very high	92.4	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.112	20%	0.204	C	C	.	.			trans	-92.1	154.5	177.6	-53.3	-86.4	0	0	0	111.3	H104 S124 D126 R142	H104-N128 PolarHBondContact CE1-O 3.44Å; S124-N128 PolarHBondContact N-O 2.88Å; D126-N128 PolarHBondContact O-N 2.88Å; D126-N128 VanDerWaalsContact O-N 3.11Å; D126-N128 PolarHBondContact O-ND2 3.39Å; D126-N128 WeakPolarHBondContact OD1-CA 3.4Å; D126-N128 WeakPolarHBondContact OD1-CB 3.34Å; D126-N128 PolarHBondContact OD1-N 2.76Å; D126-N128 PolarHBondContact OD1-ND2 3.42Å; N128-R142 HydrophobicContact CB-CG 4.31Å
129	I	97.9	Very high	92.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.1	164.2	-56.3	160.5	0	0	0	107.4	S122 R142 Y143 V150 L153 L162 S164 W174	S122-I129 CarbonylContact O-C 3.59Å; S122-I129 VanDerWaalsContact O-CA 3.26Å; S122-I129 WeakPolarHBondContact O-CA 3.21Å; I129-R142 CarbonylContact O-C 3.49Å; I129-R142 WeakPolarHBondContact O-CA 3.44Å; I129-Y143 HydrophobicContact CB-CD2 4.25Å; I129-Y143 HydrophobicContact CG2-CD2 4.02Å; I129-Y143 PolarHBondContact N-O 3.35Å; I129-Y143 VanDerWaalsContact N-O 3.13Å; I129-Y143 PolarHBondContact O-N 3.41Å; I129-V150 HydrophobicContact CD1-CG1 4.3Å; I129-V150 HydrophobicContact CD1-CG2 4.47Å; I129-V150 HydrophobicContact CG1-CB 4.46Å; I129-V150 HydrophobicContact CG1-CG1 4.05Å; I129-V150 HydrophobicContact CG1-CG2 3.97Å; I129-L153 HydrophobicContact CD1-CD2 3.92Å; I129-L153 HydrophobicContact CG1-CD2 4.11Å; I129-L153 HydrophobicContact CG2-CD1 3.94Å; I129-L153 HydrophobicContact CG2-CD2 4.06Å; I129-L162 HydrophobicContact CG2-CD2 3.71Å; I129-S164 VanDerWaalsContact CD1-CB 3.42Å; I129-W174 HydrophobicContact CD1-CZ2 4.05Å
130	K	96.9	Very high	92.3	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.7	176.4	-72.5	176.4	163.6	-88.6	0	110.4	G103 H104 A121 S122 W132 C139 F141 R142	G103-K130 VanDerWaalsContact O-CE 3.25Å; G103-K130 WeakPolarHBondContact O-CE 3.06Å; H104-K130 WeakPolarHBondContact NE2-CD 3.36Å; A121-K130 CarbonylContact C-O 3.59Å; A121-K130 WeakPolarHBondContact CA-O 3.36Å; S122-K130 PolarHBondContact N-O 2.96Å; S122-K130 PolarHBondContact O-N 3.06Å; K130-W132 HydrophobicContact CB-CZ2 3.83Å; K130-W132 HydrophobicContact CD-CH2 3.82Å; K130-W132 HydrophobicContact CD-CZ2 3.39Å; K130-W132 HydrophobicContact CG-CZ2 4.27Å; K130-C139 PolarHBondContact NZ-SG 3.07Å; K130-C139 VanDerWaalsContact NZ-SG 3.36Å; K130-F141 WeakPolarHBondContact CA-O 3.38Å; K130-R142 HydrophobicContact CG-CG 4.38Å
131	L	96.4	Very high	92.1	Very high	13 Å²	13	47 Å²	47	7%	0.068	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.3	170.5	-172.6	70.6	0	0	0	108.6	F119 A121 V140 F141 Y143 F155 L176	F119-L131 HydrophobicContact CB-CD1 4.04Å; A121-L131 HydrophobicContact CB-CD1 4.33Å; L131-V140 PolarHBondContact O-N 2.94Å; L131-F141 HydrophobicContact CB-CB 4.15Å; L131-F141 PolarHBondContact N-O 3.11Å; L131-F141 PolarHBondContact O-N 3.05Å; L131-Y143 HydrophobicContact CB-CE2 4.14Å; L131-F155 HydrophobicContact CD1-CE1 4.12Å; L131-F155 HydrophobicContact CD1-CZ 3.7Å; L131-L176 HydrophobicContact CD2-CD2 4.3Å
132	W	95.8	Very high	91.9	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.011	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138	-177.3	-49.4	91.4	0	0	0	109.2	I87 L101 M102 H104 F119 V120 S122 K130 C139	I87-W132 HydrophobicContact CD1-CZ2 4.09Å; L101-W132 HydrophobicContact CB-CD2 4.19Å; L101-W132 HydrophobicContact CB-CE3 3.99Å; L101-W132 HydrophobicContact CB-CZ3 4.22Å; L101-W132 HydrophobicContact CD1-CB 3.69Å; L101-W132 HydrophobicContact CD1-CD2 4.14Å; L101-W132 HydrophobicContact CD1-CE3 4.45Å; L101-W132 HydrophobicContact CD1-CG 3.81Å; L101-W132 HydrophobicContact CD2-CB 4.49Å; L101-W132 HydrophobicContact CD2-CE3 4.12Å; L101-W132 HydrophobicContact CG-CE3 4.41Å; M102-W132 VanDerWaalsContact O-CH2 3.27Å; M102-W132 WeakPolarHBondContact O-CH2 3.36Å; M102-W132 WeakPolarHBondContact O-CZ3 3.34Å; H104-W132 AromaticContact CD2-CZ2 3.93Å; F119-W132 CarbonylContact C-O 3.59Å; F119-W132 WeakPolarHBondContact CA-O 3.32Å; V120-W132 HydrophobicContact CB-CB 4.5Å; V120-W132 PolarHBondContact N-O 3.35Å; V120-W132 VanDerWaalsContact O-CD1 3.31Å; V120-W132 PolarHBondContact O-N 3.3Å; S122-W132 PolarHBondContact OG-NE1 3.36Å; K130-W132 HydrophobicContact CB-CZ2 3.83Å; K130-W132 HydrophobicContact CD-CH2 3.82Å; K130-W132 HydrophobicContact CD-CZ2 3.39Å; K130-W132 HydrophobicContact CG-CZ2 4.27Å; W132-C139 HydrophobicContact CD2-CB 4.47Å; W132-C139 HydrophobicContact CE3-CB 3.78Å; W132-C139 HydrophobicContact CH2-CB 4.15Å; W132-C139 HydrophobicContact CZ3-CB 3.6Å
133	D	92.1	Very high	91.8	Very high	14 Å²	14	51.6 Å²	51.6	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.2	168.1	178.4	-13.3	0	0	0	106.9	F119 R135 R136 V140	F119-D133 HydrophobicContact CD1-CB 3.93Å; F119-D133 HydrophobicContact CE1-CB 3.79Å; D133-R135 PolarHBondContact O-N 3.32Å; D133-R135 WeakPolarHBondContact OD1-CA 3.41Å; D133-R135 WeakPolarHBondContact OD1-CB 3.46Å; D133-R135 WeakPolarHBondContact OD1-CG 3.44Å; D133-R135 PolarHBondContact OD1-N 2.91Å; D133-R136 HydrophobicContact CB-CB 4.16Å; D133-R136 HydrophobicContact CB-CG 4.34Å; D133-R136 CarbonylContact O-C 3.54Å; D133-R136 PolarHBondContact O-N 3.17Å; D133-R136 VanDerWaalsContact O-N 3.15Å; D133-R136 WeakPolarHBondContact OD2-CD 3.31Å; D133-R136 WeakPolarHBondContact OD2-CG 3.44Å; D133-R136 IonicContact OD2-NE 2.9Å; D133-R136 PolarHBondContact OD2-NE 3.26Å; D133-V140 HydrophobicContact CB-CG2 3.47Å; D133-V140 VanDerWaalsContact CB-CG2 3.47Å
134	I	89.3	Confident	91.6	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.1	-178.1	-56.8	168.1	0	0	0	110.4	L77 L98 R99 F113 E118 V120 R136	L77-I134 HydrophobicContact CD1-CD1 4.48Å; L98-I134 HydrophobicContact CD2-CG2 3.63Å; L98-I134 HydrophobicContact CG-CG2 4.44Å; R99-I134 HydrophobicContact CG-CG2 4.07Å; R99-I134 VanDerWaalsContact CG-O 3.31Å; R99-I134 WeakPolarHBondContact CG-O 3.46Å; R99-I134 PolarHBondContact NE-O 3.47Å; F113-I134 HydrophobicContact CD1-CD1 4.2Å; F113-I134 HydrophobicContact CE1-CD1 3.85Å; E118-I134 HydrophobicContact CB-CB 4.23Å; E118-I134 HydrophobicContact CB-CD1 4.29Å; E118-I134 WeakPolarHBondContact O-CB 3.42Å; E118-I134 WeakPolarHBondContact O-CG1 3.35Å; E118-I134 PolarHBondContact O-N 3.14Å; V120-I134 HydrophobicContact CG2-CD1 3.86Å; V120-I134 HydrophobicContact CG2-CG1 3.91Å; I134-R136 VanDerWaalsContact C-N 3.32Å; I134-R136 PolarHBondContact O-N 2.87Å
135	R	86.8	Confident	91.4	Very high	177 Å²	177	62.1 Å²	62.1	67%	0.668	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-29.3	179.4	-54.3	174.6	65.5	169.7	-3	111.8	E118 D133	E118-R135 HydrophobicContact CB-CG 4.12Å; E118-R135 WeakPolarHBondContact OE2-CD 3.33Å; E118-R135 WeakPolarHBondContact OE2-CG 3.26Å; E118-R135 IonicContact OE2-NE 2.64Å; D133-R135 PolarHBondContact O-N 3.32Å; D133-R135 WeakPolarHBondContact OD1-CA 3.41Å; D133-R135 WeakPolarHBondContact OD1-CB 3.46Å; D133-R135 WeakPolarHBondContact OD1-CG 3.44Å; D133-R135 PolarHBondContact OD1-N 2.91Å
136	R	81.7	Confident	91.4	Very high	174 Å²	174	57.5 Å²	57.5	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	146.3	-176.2	-59.6	178.8	-175.5	-162.3	-2.9	110.3	D133 I134 G138	D133-R136 HydrophobicContact CB-CB 4.16Å; D133-R136 HydrophobicContact CB-CG 4.34Å; D133-R136 CarbonylContact O-C 3.54Å; D133-R136 PolarHBondContact O-N 3.17Å; D133-R136 VanDerWaalsContact O-N 3.15Å; D133-R136 WeakPolarHBondContact OD2-CD 3.31Å; D133-R136 WeakPolarHBondContact OD2-CG 3.44Å; D133-R136 IonicContact OD2-NE 2.9Å; D133-R136 PolarHBondContact OD2-NE 3.26Å; I134-R136 VanDerWaalsContact C-N 3.32Å; I134-R136 PolarHBondContact O-N 2.87Å; R136-G138 PolarHBondContact O-N 3.47Å
137	K	69.6	Low	91.4	Very high	164 Å²	164	60.7 Å²	60.7	71%	0.713	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	34.3	177.6	-68	-166.1	173	-162.4	0	113.3
138	G	76.9	Confident	91.4	Very high	30 Å²	30	63 Å²	63	31%	0.309	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	154.3	-167.6	0	0	0	0	0	117.1	R136 V140	R136-G138 PolarHBondContact O-N 3.47Å; G138-V140 PolarHBondContact O-N 3.47Å
139	C	88.4	Confident	91.5	Very high	47 Å²	47	62.5 Å²	62.5	32%	0.318	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.2	169.6	-176.6	0	0	0	0	109.3	K130 W132 F141	K130-C139 PolarHBondContact NZ-SG 3.07Å; K130-C139 VanDerWaalsContact NZ-SG 3.36Å; W132-C139 HydrophobicContact CD2-CB 4.47Å; W132-C139 HydrophobicContact CE3-CB 3.78Å; W132-C139 HydrophobicContact CH2-CB 4.15Å; W132-C139 HydrophobicContact CZ3-CB 3.6Å; C139-F141 PolarHBondContact SG-O 3.46Å
140	V	90.8	Very high	91.5	Very high	68 Å²	68	62.4 Å²	62.4	41%	0.412	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-50.2	178.4	-173.1	0	0	0	0	110.3	F119 L131 D133 G138	F119-V140 HydrophobicContact CE1-CG2 4.39Å; L131-V140 PolarHBondContact O-N 2.94Å; D133-V140 HydrophobicContact CB-CG2 3.47Å; D133-V140 VanDerWaalsContact CB-CG2 3.47Å; G138-V140 PolarHBondContact O-N 3.47Å
141	F	91.6	Very high	91.5	Very high	91 Å²	91	67.3 Å²	67.3	40%	0.399	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149	-177.5	-103.7	-82.7	0	0	0	111.4	K130 L131 C139 Y143	K130-F141 WeakPolarHBondContact CA-O 3.38Å; L131-F141 HydrophobicContact CB-CB 4.15Å; L131-F141 PolarHBondContact N-O 3.11Å; L131-F141 PolarHBondContact O-N 3.05Å; C139-F141 PolarHBondContact SG-O 3.46Å; F141-Y143 HydrophobicContact CB-CE2 4.13Å
142	R	94.7	Very high	91.6	Very high	90 Å²	90	67.2 Å²	67.2	34%	0.34	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.1	171.1	-176.8	-166.4	-65.8	-99.9	2.7	108.3	N128 I129 K130 R144	N128-R142 HydrophobicContact CB-CG 4.31Å; I129-R142 CarbonylContact O-C 3.49Å; I129-R142 WeakPolarHBondContact O-CA 3.44Å; K130-R142 HydrophobicContact CG-CG 4.38Å; R142-R144 HydrophobicContact CG-CG 4.46Å
143	Y	95.3	Very high	91.6	Very high	6 Å²	6	67.1 Å²	67.1	2%	0.024	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.1	173.9	-51.1	-84.2	0	0	0	109.7	I129 L131 F141 W174 L176	I129-Y143 HydrophobicContact CB-CD2 4.25Å; I129-Y143 HydrophobicContact CG2-CD2 4.02Å; I129-Y143 PolarHBondContact N-O 3.35Å; I129-Y143 VanDerWaalsContact N-O 3.13Å; I129-Y143 PolarHBondContact O-N 3.41Å; L131-Y143 HydrophobicContact CB-CE2 4.14Å; F141-Y143 HydrophobicContact CB-CE2 4.13Å; Y143-W174 HydrophobicContact CD1-CB 4.43Å; Y143-W174 HydrophobicContact CD1-CD2 4.19Å; Y143-W174 AromaticContact CD1-CE3 3.66Å; Y143-W174 HydrophobicContact CD1-CE3 3.66Å; Y143-W174 HydrophobicContact CD1-CZ3 4.3Å; Y143-W174 HydrophobicContact CE1-CB 4.45Å; Y143-W174 HydrophobicContact CG-CD2 4.25Å; Y143-W174 AromaticContact CG-CE3 4Å; Y143-W174 HydrophobicContact CG-CE3 4Å; Y143-W174 HydrophobicContact CG-CZ3 4.47Å; Y143-L176 HydrophobicContact CE2-CD2 4.41Å; Y143-L176 WeakPolarHBondContact OH-CD2 3.49Å
144	R	94.1	Very high	91.9	Very high	184 Å²	184	68.7 Å²	68.7	69%	0.694	32%	0.324	S	S	*	.			trans	-119.5	134.4	176.9	-63.9	-173.4	179	173.8	4	108.5	R142 W174	R142-R144 HydrophobicContact CG-CG 4.46Å; R144-W174 WeakPolarHBondContact O-CH2 3.38Å
145	G	92.9	Very high	92.3	Very high	37 Å²	37	69.1 Å²	69.1	38%	0.381	33%	0.326	S	S	.	.			trans	166.7	-23.3	174.9	0	0	0	0	0	114.8	K172	G145-K172 WeakPolarHBondContact O-CE 3.05Å
146	H	97.3	Very high	92.7	Very high	9 Å²	9	60.9 Å²	60.9	4%	0.042	30%	0.295	C	S	.	.			trans	-74.6	143.8	168.1	-79	-62.8	0	0	0	111.2	T127 V150 S164 A166 D168 T170	T127-H146 WeakPolarHBondContact CB-O 3.25Å; T127-H146 PolarHBondContact OG1-O 3.17Å; H146-V150 HydrophobicContact CB-CG2 4.11Å; H146-S164 PolarHBondContact CD2-OG 2.8Å; H146-S164 PolarHBondContact NE2-OG 3.41Å; H146-A166 HydrophobicContact CB-CB 4.3Å; H146-A166 VanDerWaalsContact CE1-CB 3.47Å; H146-A166 WeakPolarHBondContact CE1-CB 3.25Å; H146-A166 VanDerWaalsContact ND1-CB 3.26Å; H146-A166 WeakPolarHBondContact ND1-CB 3.22Å; H146-D168 VanDerWaalsContact CA-OD2 3.29Å; H146-D168 WeakPolarHBondContact CA-OD2 3.27Å; H146-D168 WeakPolarHBondContact CB-OD2 3.49Å; H146-D168 IonicContact CE1-OD1 3.78Å; H146-D168 IonicContact CG-OD2 3.58Å; H146-D168 IonicContact ND1-OD1 2.97Å; H146-D168 PolarHBondContact ND1-OD1 2.91Å; H146-D168 IonicContact ND1-OD2 3.63Å; H146-D168 PolarHBondContact ND1-OD2 3.33Å; H146-T170 PolarHBondContact CE1-OG1 2.97Å; H146-T170 PolarHBondContact ND1-OG1 2.87Å
147	S	97.3	Very high	93.1	Very high	90 Å²	90	55.2 Å²	55.2	63%	0.629	28%	0.281	S	S	*	.	S	Bend	trans	-96.9	-13	179.2	65	0	0	0	0	113.2	D168	S147-D168 PolarHBondContact N-OD2 3.4Å; S147-D168 WeakPolarHBondContact OG-CB 3.48Å
148	Q	97.9	Very high	94	Very high	92 Å²	92	49.9 Å²	49.9	43%	0.43	26%	0.26	S	S	.	.	S	Bend	trans	-136.7	-175.1	177.4	-58.8	-170.2	38.9	0	0	111.1	T127 D167 D168	T127-Q148 WeakPolarHBondContact CB-O 3.23Å; Q148-D167 HydrophobicContact CB-CB 3.62Å; Q148-D168 HydrophobicContact CB-CB 4.09Å; Q148-D168 HydrophobicContact CG-CB 4.09Å
149	A	97.6	Very high	94.7	Very high	11 Å²	11	48.9 Å²	48.9	9%	0.091	25%	0.25	C	S	.	.			trans	-60.1	138.5	-174	0	0	0	0	0	112.9	Q125 R151 A166 D167	Q125-A149 HydrophobicContact CB-CB 4.23Å; Q125-A149 HydrophobicContact CG-CB 4.08Å; A149-R151 PolarHBondContact O-N 2.96Å; A149-A166 CarbonylContact O-C 3.56Å; A149-A166 WeakPolarHBondContact O-CA 3.33Å; A149-A166 VanDerWaalsContact O-CB 3.25Å; A149-A166 WeakPolarHBondContact O-CB 3.2Å; A149-D167 HydrophobicContact CB-CB 4.5Å; A149-D167 PolarHBondContact O-N 3.15Å
150	V	98.2	Very high	94.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	98.2	179.6	-175.1	0	0	0	0	110.1	C109 S110 S124 I129 H146 L153 A165	C109-V150 VanDerWaalsContact CB-O 3.27Å; C109-V150 WeakPolarHBondContact CB-O 3.17Å; S110-V150 PolarHBondContact OG-O 3.04Å; S110-V150 VanDerWaalsContact OG-O 3.04Å; S124-V150 PolarHBondContact O-N 3.22Å; S124-V150 VanDerWaalsContact O-N 3.16Å; I129-V150 HydrophobicContact CD1-CG1 4.3Å; I129-V150 HydrophobicContact CD1-CG2 4.47Å; I129-V150 HydrophobicContact CG1-CB 4.46Å; I129-V150 HydrophobicContact CG1-CG1 4.05Å; I129-V150 HydrophobicContact CG1-CG2 3.97Å; H146-V150 HydrophobicContact CB-CG2 4.11Å; V150-L153 HydrophobicContact CG1-CD2 3.97Å; V150-L153 HydrophobicContact CG1-CG 4.12Å; V150-A165 CarbonylContact C-O 3.48Å
151	R	96.8	Very high	95.1	Very high	109 Å²	109	50.6 Å²	50.6	41%	0.411	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-32.3	-173.5	-72.4	-163.8	173.8	-75.8	-16.8	114.6	S110 A149 A165 D167	S110-R151 WeakPolarHBondContact CB-O 3.43Å; A149-R151 PolarHBondContact O-N 2.96Å; R151-A165 PolarHBondContact N-O 3.38Å; R151-D167 IonicContact CZ-OD1 3.8Å; R151-D167 IonicContact CZ-OD2 3.04Å; R151-D167 IonicContact NE-OD1 2.64Å; R151-D167 PolarHBondContact NE-OD1 3.31Å; R151-D167 IonicContact NE-OD2 3.55Å; R151-D167 VanDerWaalsContact NH2-CG 3.3Å; R151-D167 IonicContact NH2-OD1 3.34Å; R151-D167 PolarHBondContact NH2-OD1 3.49Å; R151-D167 IonicContact NH2-OD2 3.03Å; R151-D167 PolarHBondContact NH2-OD2 2.72Å
152	C	97.4	Very high	95.4	Very high	12 Å²	12	46.2 Å²	46.2	8%	0.081	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.9	-176	-168.6	0	0	0	0	111.2	S164 A165 N193 V195	C152-S164 WeakPolarHBondContact O-CA 3.22Å; C152-A165 HydrophobicContact CB-CB 4.15Å; C152-A165 PolarHBondContact N-O 2.85Å; C152-A165 PolarHBondContact O-N 3.49Å; C152-N193 WeakPolarHBondContact CB-O 3.33Å; C152-V195 HydrophobicContact CB-CG2 4.18Å
153	L	97.3	Very high	95.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.8	173.7	-72.2	175.3	0	0	0	109.4	A121 I129 V150 L162 A163 S164	A121-L153 HydrophobicContact CB-CD1 4.18Å; I129-L153 HydrophobicContact CD1-CD2 3.92Å; I129-L153 HydrophobicContact CG1-CD2 4.11Å; I129-L153 HydrophobicContact CG2-CD1 3.94Å; I129-L153 HydrophobicContact CG2-CD2 4.06Å; V150-L153 HydrophobicContact CG1-CD2 3.97Å; V150-L153 HydrophobicContact CG1-CG 4.12Å; L153-L162 HydrophobicContact CB-CD1 4.45Å; L153-L162 HydrophobicContact CD2-CD1 4.42Å; L153-L162 HydrophobicContact CD2-CD2 4.12Å; L153-L162 HydrophobicContact CD2-CG 4.2Å; L153-A163 WeakPolarHBondContact CA-O 3.42Å; L153-S164 VanDerWaalsContact CD2-CB 3.42Å
154	R	97.7	Very high	95.7	Very high	46 Å²	46	41.7 Å²	41.7	17%	0.174	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135	168.5	-74.4	-65.2	-178.9	-115.4	-1.6	110.7	R70 D112 L162 A163 V195 F197	R70-R154 VanDerWaalsContact CZ-CZ 3.43Å; R70-R154 VanDerWaalsContact NH2-NH1 3.19Å; D112-R154 IonicContact OD1-NH1 3.77Å; D112-R154 PolarHBondContact OD1-NH1 3.29Å; D112-R154 VanDerWaalsContact OD2-CA 3.31Å; D112-R154 WeakPolarHBondContact OD2-CA 3.36Å; R154-L162 WeakPolarHBondContact O-CA 3.18Å; R154-L162 WeakPolarHBondContact O-CD1 3.19Å; R154-A163 PolarHBondContact N-O 2.89Å; R154-A163 PolarHBondContact O-N 3.37Å; R154-V195 HydrophobicContact CB-CG2 4.46Å; R154-V195 HydrophobicContact CG-CG2 4.37Å; R154-V195 WeakPolarHBondContact CG-O 3.35Å; R154-F197 HydrophobicContact CB-CD2 4Å; R154-F197 HydrophobicContact CB-CE2 4.18Å; R154-F197 WeakPolarHBondContact O-CE2 3.27Å
155	F	97.4	Very high	95.9	Very high	14 Å²	14	32.9 Å²	32.9	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	146.1	162.9	-76	-78	0	0	0	110.3	D112 F113 H114 A121 L131 L162 L176 F197	D112-F155 HydrophobicContact CB-CD2 3.88Å; D112-F155 HydrophobicContact CB-CE2 4.24Å; D112-F155 WeakPolarHBondContact O-CE2 3.19Å; D112-F155 PolarHBondContact OD2-N 3.02Å; F113-F155 WeakPolarHBondContact O-CD2 3.25Å; H114-F155 HydrophobicContact CB-CD1 4.4Å; H114-F155 HydrophobicContact CB-CD2 4.31Å; H114-F155 HydrophobicContact CB-CE1 4.17Å; H114-F155 HydrophobicContact CB-CE2 4.04Å; H114-F155 HydrophobicContact CB-CG 4.45Å; H114-F155 HydrophobicContact CB-CZ 3.96Å; H114-F155 AromaticContact CD2-CD1 3.7Å; H114-F155 AromaticContact CD2-CE1 3.71Å; A121-F155 HydrophobicContact CB-CE1 4.39Å; A121-F155 HydrophobicContact CB-CE2 3.55Å; A121-F155 HydrophobicContact CB-CZ 3.44Å; A121-F155 VanDerWaalsContact CB-CZ 3.44Å; L131-F155 HydrophobicContact CD1-CE1 4.12Å; L131-F155 HydrophobicContact CD1-CZ 3.7Å; F155-L162 HydrophobicContact CD1-CD1 3.85Å; F155-L162 HydrophobicContact CD2-CD1 4.14Å; F155-L162 HydrophobicContact CE1-CD1 3.88Å; F155-L162 HydrophobicContact CE2-CD1 4.19Å; F155-L162 HydrophobicContact CG-CD1 4Å; F155-L162 HydrophobicContact CZ-CD1 4.08Å; F155-L176 HydrophobicContact CD1-CD1 3.61Å; F155-L176 HydrophobicContact CE1-CD1 3.47Å; F155-L176 VanDerWaalsContact CE1-CD1 3.47Å; F155-L176 HydrophobicContact CE1-CD2 4.14Å; F155-L176 HydrophobicContact CE1-CG 4.45Å; F155-F197 WeakPolarHBondContact O-CD2 3.42Å
156	S	95.4	Very high	96.2	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.021	16%	0.158	C	C	.	.			trans	-66	149.9	169.1	60.4	0	0	0	0	110.4	D158 G159 K160 W161	S156-D158 VanDerWaalsContact CB-OD1 3.28Å; S156-D158 WeakPolarHBondContact CB-OD1 3.46Å; S156-D158 PolarHBondContact O-N 3.41Å; S156-D158 VanDerWaalsContact O-N 3.1Å; S156-D158 PolarHBondContact OG-OD1 3Å; S156-G159 WeakPolarHBondContact O-CA 3.43Å; S156-G159 PolarHBondContact O-N 2.93Å; S156-G159 PolarHBondContact OG-N 2.84Å; S156-K160 PolarHBondContact OG-N 2.82Å; S156-W161 PolarHBondContact N-O 3.13Å; S156-W161 PolarHBondContact OG-N 2.88Å; S156-W161 PolarHBondContact OG-O 3.29Å
157	P	90.8	Very high	96.2	Very high	56 Å²	56	31.9 Å²	31.9	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.7	179.3	-25	34	0	0	0	113.8	Y116 F197	Y116-P157 WeakPolarHBondContact CE2-O 3.31Å; Y116-P157 VanDerWaalsContact CZ-O 3.27Å; Y116-P157 PolarHBondContact OH-O 3.02Å; P157-F197 HydrophobicContact CG-CB 4.09Å
158	D	88.8	Confident	96.2	Very high	51 Å²	51	28.4 Å²	28.4	27%	0.273	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.2	174.7	76.4	-15.1	0	0	0	113.8	Y116 S156 K160	Y116-D158 VanDerWaalsContact CE2-C 3.5Å; Y116-D158 WeakPolarHBondContact CE2-O 3.33Å; S156-D158 VanDerWaalsContact CB-OD1 3.28Å; S156-D158 WeakPolarHBondContact CB-OD1 3.46Å; S156-D158 PolarHBondContact O-N 3.41Å; S156-D158 VanDerWaalsContact O-N 3.1Å; S156-D158 PolarHBondContact OG-OD1 3Å; D158-K160 VanDerWaalsContact C-N 3.26Å; D158-K160 PolarHBondContact O-N 3.24Å; D158-K160 PolarHBondContact OD1-N 2.84Å; D158-K160 VanDerWaalsContact OD2-CD 3.27Å; D158-K160 WeakPolarHBondContact OD2-CD 3.45Å; D158-K160 WeakPolarHBondContact OD2-CG 3.4Å; D158-K160 IonicContact OD2-NZ 3.94Å
159	G	91.3	Very high	96.2	Very high	10 Å²	10	27.3 Å²	27.3	10%	0.103	13%	0.131	C	C	.	.	S	Bend	trans	71.6	11.3	178.7	0	0	0	0	0	114.7	H114 S156 L176	H114-G159 WeakPolarHBondContact NE2-CA 3.34Å; H114-G159 PolarHBondContact NE2-O 3.46Å; S156-G159 WeakPolarHBondContact O-CA 3.43Å; S156-G159 PolarHBondContact O-N 2.93Å; S156-G159 PolarHBondContact OG-N 2.84Å; G159-L176 WeakPolarHBondContact O-CD1 3.34Å
160	K	92.3	Very high	96.2	Very high	113 Å²	113	27.6 Å²	27.6	49%	0.491	13%	0.132	S	C	.	.	S	Bend	trans	-88.4	-29.4	-178.9	-64.3	-174.5	-169.1	166.1	0	113.2	S156 D158 L176	S156-K160 PolarHBondContact OG-N 2.82Å; D158-K160 VanDerWaalsContact C-N 3.26Å; D158-K160 PolarHBondContact O-N 3.24Å; D158-K160 PolarHBondContact OD1-N 2.84Å; D158-K160 VanDerWaalsContact OD2-CD 3.27Å; D158-K160 WeakPolarHBondContact OD2-CD 3.45Å; D158-K160 WeakPolarHBondContact OD2-CG 3.4Å; D158-K160 IonicContact OD2-NZ 3.94Å; K160-L176 WeakPolarHBondContact O-CB 3.41Å; K160-L176 WeakPolarHBondContact O-CG 3.13Å; K160-L176 PolarHBondContact O-N 3.1Å
161	W	95.9	Very high	96.2	Very high	37 Å²	37	27.6 Å²	27.6	14%	0.14	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	159	-172.9	-55.5	-30.2	0	0	0	112	S156 L173 W174 F197 Y202 L218	S156-W161 PolarHBondContact N-O 3.13Å; S156-W161 PolarHBondContact OG-N 2.88Å; S156-W161 PolarHBondContact OG-O 3.29Å; W161-L173 HydrophobicContact CB-CD1 3.94Å; W161-L173 HydrophobicContact CB-CG 4.35Å; W161-L173 HydrophobicContact CD2-CD2 4.18Å; W161-L173 HydrophobicContact CE3-CD1 4.43Å; W161-L173 HydrophobicContact CE3-CD2 4.07Å; W161-L173 HydrophobicContact CG-CD1 4.48Å; W161-L173 HydrophobicContact CZ3-CD2 4.49Å; W161-W174 CarbonylContact C-O 3.53Å; W161-W174 VanDerWaalsContact CA-O 3.23Å; W161-W174 WeakPolarHBondContact CA-O 3.28Å; W161-F197 HydrophobicContact CE3-CE1 4.43Å; W161-Y202 AromaticContact CH2-CD1 3.71Å; W161-Y202 HydrophobicContact CH2-CD1 3.71Å; W161-Y202 AromaticContact CH2-CE1 3.61Å; W161-Y202 HydrophobicContact CH2-CE1 3.61Å; W161-Y202 AromaticContact CZ3-CD1 3.66Å; W161-Y202 HydrophobicContact CZ3-CD1 3.66Å; W161-Y202 AromaticContact CZ3-CE1 3.82Å; W161-Y202 HydrophobicContact CZ3-CE1 3.82Å; W161-L218 HydrophobicContact CE3-CD1 4.2Å; W161-L218 HydrophobicContact CH2-CB 4.39Å; W161-L218 HydrophobicContact CZ3-CB 3.82Å; W161-L218 HydrophobicContact CZ3-CD1 3.88Å; W161-L218 HydrophobicContact CZ3-CG 4.46Å
162	L	97.8	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126	169.7	-176.7	74.1	0	0	0	107.5	A121 I129 L153 R154 F155 W174 L176	A121-L162 HydrophobicContact CB-CD1 3.78Å; A121-L162 HydrophobicContact CB-CD2 3.91Å; I129-L162 HydrophobicContact CG2-CD2 3.71Å; L153-L162 HydrophobicContact CB-CD1 4.45Å; L153-L162 HydrophobicContact CD2-CD1 4.42Å; L153-L162 HydrophobicContact CD2-CD2 4.12Å; L153-L162 HydrophobicContact CD2-CG 4.2Å; R154-L162 WeakPolarHBondContact O-CA 3.18Å; R154-L162 WeakPolarHBondContact O-CD1 3.19Å; F155-L162 HydrophobicContact CD1-CD1 3.85Å; F155-L162 HydrophobicContact CD2-CD1 4.14Å; F155-L162 HydrophobicContact CE1-CD1 3.88Å; F155-L162 HydrophobicContact CE2-CD1 4.19Å; F155-L162 HydrophobicContact CG-CD1 4Å; F155-L162 HydrophobicContact CZ-CD1 4.08Å; L162-W174 HydrophobicContact CB-CB 4.32Å; L162-W174 PolarHBondContact N-O 2.85Å; L162-W174 VanDerWaalsContact O-CD1 3.26Å; L162-W174 PolarHBondContact O-N 3.34Å; L162-L176 HydrophobicContact CB-CD2 3.99Å; L162-L176 HydrophobicContact CB-CG 4.43Å
163	A	98.3	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.4	169.1	0	0	0	0	0	109.4	L153 R154 K172 L173 V195 F197 L204	L153-A163 WeakPolarHBondContact CA-O 3.42Å; R154-A163 PolarHBondContact N-O 2.89Å; R154-A163 PolarHBondContact O-N 3.37Å; A163-K172 WeakPolarHBondContact CA-O 3.43Å; A163-L173 HydrophobicContact CB-CD1 4.24Å; A163-V195 HydrophobicContact CB-CG2 4.28Å; A163-F197 HydrophobicContact CB-CD2 4.49Å; A163-F197 HydrophobicContact CB-CE2 3.48Å; A163-F197 VanDerWaalsContact CB-CE2 3.48Å; A163-F197 HydrophobicContact CB-CZ 3.53Å; A163-L204 HydrophobicContact CB-CD1 3.79Å; A163-L204 HydrophobicContact CB-CD2 4.03Å
164	S	98.4	Very high	96.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.8	176.2	62.2	0	0	0	0	111.7	I129 H146 C152 L153 V171 K172 W174	I129-S164 VanDerWaalsContact CD1-CB 3.42Å; H146-S164 PolarHBondContact CD2-OG 2.8Å; H146-S164 PolarHBondContact NE2-OG 3.41Å; C152-S164 WeakPolarHBondContact O-CA 3.22Å; L153-S164 VanDerWaalsContact CD2-CB 3.42Å; S164-V171 CarbonylContact O-C 3.57Å; S164-V171 VanDerWaalsContact O-CA 3.25Å; S164-V171 WeakPolarHBondContact O-CA 3.49Å; S164-V171 WeakPolarHBondContact O-CG1 3.33Å; S164-K172 PolarHBondContact N-O 2.67Å; S164-K172 PolarHBondContact O-N 2.7Å; S164-K172 PolarHBondContact OG-O 3.15Å; S164-W174 PolarHBondContact OG-NE1 2.89Å
165	A	98.1	Very high	96.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.3	173.5	0	0	0	0	0	110.3	V150 R151 C152 V171 V192 V195	V150-A165 CarbonylContact C-O 3.48Å; R151-A165 PolarHBondContact N-O 3.38Å; C152-A165 HydrophobicContact CB-CB 4.15Å; C152-A165 PolarHBondContact N-O 2.85Å; C152-A165 PolarHBondContact O-N 3.49Å; A165-V171 HydrophobicContact CB-CG2 4.41Å; A165-V192 HydrophobicContact CB-CB 3.71Å; A165-V192 HydrophobicContact CB-CG1 3.49Å; A165-V192 VanDerWaalsContact CB-CG1 3.49Å; A165-V195 HydrophobicContact CB-CB 4.4Å; A165-V195 HydrophobicContact CB-CG1 3.47Å; A165-V195 VanDerWaalsContact CB-CG1 3.47Å; A165-V195 HydrophobicContact CB-CG2 4.18Å
166	A	98.1	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	167.4	-171.9	0	0	0	0	0	114.1	H146 A149 D168 H169 T170 V192	H146-A166 HydrophobicContact CB-CB 4.3Å; H146-A166 VanDerWaalsContact CE1-CB 3.47Å; H146-A166 WeakPolarHBondContact CE1-CB 3.25Å; H146-A166 VanDerWaalsContact ND1-CB 3.26Å; H146-A166 WeakPolarHBondContact ND1-CB 3.22Å; A149-A166 CarbonylContact O-C 3.56Å; A149-A166 WeakPolarHBondContact O-CA 3.33Å; A149-A166 VanDerWaalsContact O-CB 3.25Å; A149-A166 WeakPolarHBondContact O-CB 3.2Å; A166-D168 WeakPolarHBondContact CB-OD1 3.38Å; A166-D168 PolarHBondContact O-N 3.36Å; A166-H169 PolarHBondContact O-N 2.87Å; A166-T170 PolarHBondContact N-O 2.82Å; A166-V192 PolarHBondContact O-N 2.84Å; A166-V192 VanDerWaalsContact O-N 3.1Å
167	D	98.1	Very high	95.7	Very high	24 Å²	24	27.3 Å²	27.3	13%	0.128	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.5	172.4	-87.9	-33.3	0	0	0	113.5	Q148 A149 R151 H169 P191	Q148-D167 HydrophobicContact CB-CB 3.62Å; A149-D167 HydrophobicContact CB-CB 4.5Å; A149-D167 PolarHBondContact O-N 3.15Å; R151-D167 IonicContact CZ-OD1 3.8Å; R151-D167 IonicContact CZ-OD2 3.04Å; R151-D167 IonicContact NE-OD1 2.64Å; R151-D167 PolarHBondContact NE-OD1 3.31Å; R151-D167 IonicContact NE-OD2 3.55Å; R151-D167 VanDerWaalsContact NH2-CG 3.3Å; R151-D167 IonicContact NH2-OD1 3.34Å; R151-D167 PolarHBondContact NH2-OD1 3.49Å; R151-D167 IonicContact NH2-OD2 3.03Å; R151-D167 PolarHBondContact NH2-OD2 2.72Å; D167-H169 PolarHBondContact O-CE1 3.48Å; D167-H169 PolarHBondContact O-N 3Å; D167-H169 PolarHBondContact O-ND1 3.42Å; D167-P191 VanDerWaalsContact OD1-CB 3.25Å; D167-P191 WeakPolarHBondContact OD1-CB 3.48Å
168	D	97.4	Very high	95.6	Very high	18 Å²	18	27.1 Å²	27.1	10%	0.096	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	9.6	175.9	66.4	15.3	0	0	0	114.1	H146 S147 Q148 A166 T170	H146-D168 VanDerWaalsContact CA-OD2 3.29Å; H146-D168 WeakPolarHBondContact CA-OD2 3.27Å; H146-D168 WeakPolarHBondContact CB-OD2 3.49Å; H146-D168 IonicContact CE1-OD1 3.78Å; H146-D168 IonicContact CG-OD2 3.58Å; H146-D168 IonicContact ND1-OD1 2.97Å; H146-D168 PolarHBondContact ND1-OD1 2.91Å; H146-D168 IonicContact ND1-OD2 3.63Å; H146-D168 PolarHBondContact ND1-OD2 3.33Å; S147-D168 PolarHBondContact N-OD2 3.4Å; S147-D168 WeakPolarHBondContact OG-CB 3.48Å; Q148-D168 HydrophobicContact CB-CB 4.09Å; Q148-D168 HydrophobicContact CG-CB 4.09Å; A166-D168 WeakPolarHBondContact CB-OD1 3.38Å; A166-D168 PolarHBondContact O-N 3.36Å; D168-T170 PolarHBondContact O-N 2.89Å; D168-T170 WeakPolarHBondContact OD1-CB 3.13Å; D168-T170 PolarHBondContact OD1-N 3.04Å; D168-T170 VanDerWaalsContact OD1-N 3.11Å; D168-T170 PolarHBondContact OD1-OG1 3.37Å
169	H	97.7	Very high	95.6	Very high	68 Å²	68	25.5 Å²	25.5	32%	0.315	14%	0.144	S	C	.	.	S	Bend	trans	70.1	11.8	176.8	-38.6	-35	0	0	0	113.9	A166 D167 H188 G190	A166-H169 PolarHBondContact O-N 2.87Å; D167-H169 PolarHBondContact O-CE1 3.48Å; D167-H169 PolarHBondContact O-N 3Å; D167-H169 PolarHBondContact O-ND1 3.42Å; H169-H188 WeakPolarHBondContact CB-O 3.24Å; H169-G190 WeakPolarHBondContact CB-O 3.47Å; H169-G190 WeakPolarHBondContact ND1-CA 3.34Å; H169-G190 PolarHBondContact ND1-O 3.03Å
170	T	97.8	Very high	95.6	Very high	17 Å²	17	31 Å²	31	10%	0.104	17%	0.165	C	C	.	.			trans	-112.5	151.2	-179.3	72.2	0	0	0	0	111.8	H146 A166 D168 E184	H146-T170 PolarHBondContact CE1-OG1 2.97Å; H146-T170 PolarHBondContact ND1-OG1 2.87Å; A166-T170 PolarHBondContact N-O 2.82Å; D168-T170 PolarHBondContact O-N 2.89Å; D168-T170 WeakPolarHBondContact OD1-CB 3.13Å; D168-T170 PolarHBondContact OD1-N 3.04Å; D168-T170 VanDerWaalsContact OD1-N 3.11Å; D168-T170 PolarHBondContact OD1-OG1 3.37Å; T170-E184 WeakPolarHBondContact CG2-OE1 3.43Å
171	V	98.3	Very high	95.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.6	162.2	-179.7	0	0	0	0	107.8	S164 A165 F185 V192 V195 L204	S164-V171 CarbonylContact O-C 3.57Å; S164-V171 VanDerWaalsContact O-CA 3.25Å; S164-V171 WeakPolarHBondContact O-CA 3.49Å; S164-V171 WeakPolarHBondContact O-CG1 3.33Å; A165-V171 HydrophobicContact CB-CG2 4.41Å; V171-F185 HydrophobicContact CB-CB 4.17Å; V171-F185 HydrophobicContact CB-CD2 4.14Å; V171-F185 HydrophobicContact CG1-CD2 3.99Å; V171-F185 PolarHBondContact N-O 2.75Å; V171-F185 PolarHBondContact O-N 2.8Å; V171-V192 HydrophobicContact CG2-CB 4.4Å; V171-V192 HydrophobicContact CG2-CG1 3.79Å; V171-V192 HydrophobicContact CG2-CG2 4.24Å; V171-V195 HydrophobicContact CB-CG1 4.49Å; V171-V195 HydrophobicContact CG1-CG1 3.77Å; V171-V195 HydrophobicContact CG2-CG1 3.86Å; V171-L204 HydrophobicContact CG1-CD2 3.72Å
172	K	98.3	Very high	95.8	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.9	176.7	-67.5	175.8	-172.4	-89.4	0	110	G145 A163 S164 W174 M181 S183 E184	G145-K172 WeakPolarHBondContact O-CE 3.05Å; A163-K172 WeakPolarHBondContact CA-O 3.43Å; S164-K172 PolarHBondContact N-O 2.67Å; S164-K172 PolarHBondContact O-N 2.7Å; S164-K172 PolarHBondContact OG-O 3.15Å; K172-W174 HydrophobicContact CB-CZ2 3.98Å; K172-W174 HydrophobicContact CD-CH2 4.41Å; K172-W174 HydrophobicContact CD-CZ2 3.9Å; K172-M181 HydrophobicContact CB-CG 4.48Å; K172-M181 HydrophobicContact CB-SD 4.49Å; K172-M181 HydrophobicContact CD-CE 4.29Å; K172-M181 HydrophobicContact CD-SD 3.8Å; K172-M181 HydrophobicContact CG-SD 4.12Å; K172-S183 WeakPolarHBondContact CA-O 3.38Å; K172-E184 WeakPolarHBondContact CE-OE1 3.3Å; K172-E184 HydrophobicContact CG-CB 4.28Å; K172-E184 HydrophobicContact CG-CG 4.27Å; K172-E184 IonicContact NZ-OE1 2.79Å; K172-E184 PolarHBondContact NZ-OE1 3.47Å; K172-E184 IonicContact NZ-OE2 3.99Å; K172-E184 PolarHBondContact NZ-OE2 2.84Å
173	L	98.2	Very high	95.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.6	174.5	-167.9	73.1	0	0	0	109.4	W161 A163 M182 S183 F185 F197 L218 F221	W161-L173 HydrophobicContact CB-CD1 3.94Å; W161-L173 HydrophobicContact CB-CG 4.35Å; W161-L173 HydrophobicContact CD2-CD2 4.18Å; W161-L173 HydrophobicContact CE3-CD1 4.43Å; W161-L173 HydrophobicContact CE3-CD2 4.07Å; W161-L173 HydrophobicContact CG-CD1 4.48Å; W161-L173 HydrophobicContact CZ3-CD2 4.49Å; A163-L173 HydrophobicContact CB-CD1 4.24Å; L173-M182 HydrophobicContact CB-CB 4.5Å; L173-M182 HydrophobicContact CD2-CB 4.43Å; L173-M182 PolarHBondContact O-N 3.09Å; L173-S183 PolarHBondContact N-O 3.42Å; L173-S183 PolarHBondContact O-N 3.19Å; L173-F185 HydrophobicContact CB-CE2 4.01Å; L173-F197 HydrophobicContact CD1-CE1 4.05Å; L173-F197 HydrophobicContact CD1-CZ 3.72Å; L173-L218 HydrophobicContact CD2-CD2 4.14Å; L173-F221 HydrophobicContact CD2-CE1 3.82Å
174	W	97.6	Very high	95.6	Very high	6 Å²	6	36.1 Å²	36.1	2%	0.023	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135	-177.6	-49.4	87.8	0	0	0	109.8	I129 Y143 R144 W161 L162 S164 K172 M181	I129-W174 HydrophobicContact CD1-CZ2 4.05Å; Y143-W174 HydrophobicContact CD1-CB 4.43Å; Y143-W174 HydrophobicContact CD1-CD2 4.19Å; Y143-W174 AromaticContact CD1-CE3 3.66Å; Y143-W174 HydrophobicContact CD1-CE3 3.66Å; Y143-W174 HydrophobicContact CD1-CZ3 4.3Å; Y143-W174 HydrophobicContact CE1-CB 4.45Å; Y143-W174 HydrophobicContact CG-CD2 4.25Å; Y143-W174 AromaticContact CG-CE3 4Å; Y143-W174 HydrophobicContact CG-CE3 4Å; Y143-W174 HydrophobicContact CG-CZ3 4.47Å; R144-W174 WeakPolarHBondContact O-CH2 3.38Å; W161-W174 CarbonylContact C-O 3.53Å; W161-W174 VanDerWaalsContact CA-O 3.23Å; W161-W174 WeakPolarHBondContact CA-O 3.28Å; L162-W174 HydrophobicContact CB-CB 4.32Å; L162-W174 PolarHBondContact N-O 2.85Å; L162-W174 VanDerWaalsContact O-CD1 3.26Å; L162-W174 PolarHBondContact O-N 3.34Å; S164-W174 PolarHBondContact OG-NE1 2.89Å; K172-W174 HydrophobicContact CB-CZ2 3.98Å; K172-W174 HydrophobicContact CD-CH2 4.41Å; K172-W174 HydrophobicContact CD-CZ2 3.9Å; W174-M181 HydrophobicContact CD2-CB 4.48Å; W174-M181 HydrophobicContact CD2-CG 4.39Å; W174-M181 HydrophobicContact CE3-CB 3.69Å; W174-M181 HydrophobicContact CE3-CG 4.03Å; W174-M181 HydrophobicContact CH2-CB 4.22Å; W174-M181 HydrophobicContact CH2-CE 3.85Å; W174-M181 HydrophobicContact CH2-CG 4.12Å; W174-M181 HydrophobicContact CH2-SD 4.49Å; W174-M181 HydrophobicContact CZ2-CG 4.46Å; W174-M181 HydrophobicContact CZ3-CB 3.55Å; W174-M181 HydrophobicContact CZ3-CE 4.07Å; W174-M181 HydrophobicContact CZ3-CG 3.9Å
175	D	94.6	Very high	95.5	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.123	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.6	169.9	-177.4	-17.1	0	0	0	109.1	T177 A178 G179 K180 M182	D175-T177 WeakPolarHBondContact OD1-CA 3.47Å; D175-T177 WeakPolarHBondContact OD1-CB 3.48Å; D175-T177 PolarHBondContact OD1-N 2.76Å; D175-T177 PolarHBondContact OD1-OG1 3.03Å; D175-T177 PolarHBondContact OD2-OG1 3.42Å; D175-A178 HydrophobicContact CB-CB 4.05Å; D175-A178 PolarHBondContact OD1-N 3Å; D175-A178 VanDerWaalsContact OD1-N 3.11Å; D175-A178 WeakPolarHBondContact OD2-CB 3.42Å; D175-G179 WeakPolarHBondContact O-CA 3.39Å; D175-G179 PolarHBondContact O-N 3.34Å; D175-K180 PolarHBondContact N-O 3.38Å; D175-K180 PolarHBondContact O-N 3.44Å; D175-M182 HydrophobicContact CB-CG 3.53Å; D175-M182 HydrophobicContact CB-SD 3.97Å
176	L	92	Very high	95.3	Very high	24 Å²	24	40.4 Å²	40.4	13%	0.126	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-30	-179.1	-62.6	171.6	0	0	0	112.2	L131 Y143 F155 G159 K160 L162	L131-L176 HydrophobicContact CD2-CD2 4.3Å; Y143-L176 HydrophobicContact CE2-CD2 4.41Å; Y143-L176 WeakPolarHBondContact OH-CD2 3.49Å; F155-L176 HydrophobicContact CD1-CD1 3.61Å; F155-L176 HydrophobicContact CE1-CD1 3.47Å; F155-L176 VanDerWaalsContact CE1-CD1 3.47Å; F155-L176 HydrophobicContact CE1-CD2 4.14Å; F155-L176 HydrophobicContact CE1-CG 4.45Å; G159-L176 WeakPolarHBondContact O-CD1 3.34Å; K160-L176 WeakPolarHBondContact O-CB 3.41Å; K160-L176 WeakPolarHBondContact O-CG 3.13Å; K160-L176 PolarHBondContact O-N 3.1Å; L162-L176 HydrophobicContact CB-CD2 3.99Å; L162-L176 HydrophobicContact CB-CG 4.43Å
177	T	89.6	Confident	95	Very high	118 Å²	118	41.8 Å²	41.8	72%	0.724	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-43.7	179.1	67.3	0	0	0	0	111.3	D175	D175-T177 WeakPolarHBondContact OD1-CA 3.47Å; D175-T177 WeakPolarHBondContact OD1-CB 3.48Å; D175-T177 PolarHBondContact OD1-N 2.76Å; D175-T177 PolarHBondContact OD1-OG1 3.03Å; D175-T177 PolarHBondContact OD2-OG1 3.42Å
178	A	89.5	Confident	95	Very high	52 Å²	52	41.2 Å²	41.2	43%	0.43	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-17.3	178.2	0	0	0	0	0	113.1	D175 K180	D175-A178 HydrophobicContact CB-CB 4.05Å; D175-A178 PolarHBondContact OD1-N 3Å; D175-A178 VanDerWaalsContact OD1-N 3.11Å; D175-A178 WeakPolarHBondContact OD2-CB 3.42Å; A178-K180 VanDerWaalsContact C-N 3.31Å; A178-K180 HydrophobicContact CB-CD 4.22Å; A178-K180 HydrophobicContact CB-CG 3.87Å; A178-K180 PolarHBondContact O-N 2.99Å
179	G	88.6	Confident	94.9	Very high	18 Å²	18	46 Å²	46	19%	0.186	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	25.1	179.7	0	0	0	0	0	114	D175	D175-G179 WeakPolarHBondContact O-CA 3.39Å; D175-G179 PolarHBondContact O-N 3.34Å
180	K	91.7	Very high	94.9	Very high	126 Å²	126	43.1 Å²	43.1	55%	0.548	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.1	-173.2	68.7	179.9	-178.3	177.2	0	112.9	D175 A178	D175-K180 PolarHBondContact N-O 3.38Å; D175-K180 PolarHBondContact O-N 3.44Å; A178-K180 VanDerWaalsContact C-N 3.31Å; A178-K180 HydrophobicContact CB-CD 4.22Å; A178-K180 HydrophobicContact CB-CG 3.87Å; A178-K180 PolarHBondContact O-N 2.99Å
181	M	96	Very high	94.9	Very high	66 Å²	66	44 Å²	44	33%	0.325	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	130.2	169.9	-158.5	-170.8	-35.7	0	0	109.3	K172 W174 E184	K172-M181 HydrophobicContact CB-CG 4.48Å; K172-M181 HydrophobicContact CB-SD 4.49Å; K172-M181 HydrophobicContact CD-CE 4.29Å; K172-M181 HydrophobicContact CD-SD 3.8Å; K172-M181 HydrophobicContact CG-SD 4.12Å; W174-M181 HydrophobicContact CD2-CB 4.48Å; W174-M181 HydrophobicContact CD2-CG 4.39Å; W174-M181 HydrophobicContact CE3-CB 3.69Å; W174-M181 HydrophobicContact CE3-CG 4.03Å; W174-M181 HydrophobicContact CH2-CB 4.22Å; W174-M181 HydrophobicContact CH2-CE 3.85Å; W174-M181 HydrophobicContact CH2-CG 4.12Å; W174-M181 HydrophobicContact CH2-SD 4.49Å; W174-M181 HydrophobicContact CZ2-CG 4.46Å; W174-M181 HydrophobicContact CZ3-CB 3.55Å; W174-M181 HydrophobicContact CZ3-CE 4.07Å; W174-M181 HydrophobicContact CZ3-CG 3.9Å; M181-E184 HydrophobicContact SD-CB 4.49Å
182	M	95	Very high	94.9	Very high	77 Å²	77	44 Å²	44	38%	0.379	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-51.9	176.2	-77.6	-83.1	-71.9	0	0	111.1	L173 D175 F221	L173-M182 HydrophobicContact CB-CB 4.5Å; L173-M182 HydrophobicContact CD2-CB 4.43Å; L173-M182 PolarHBondContact O-N 3.09Å; D175-M182 HydrophobicContact CB-CG 3.53Å; D175-M182 HydrophobicContact CB-SD 3.97Å; M182-F221 HydrophobicContact CE-CZ 3.96Å
183	S	96.1	Very high	94.8	Very high	25 Å²	25	44.9 Å²	44.9	18%	0.175	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	157.2	-175.6	-165.9	0	0	0	0	111.2	K172 L173	K172-S183 WeakPolarHBondContact CA-O 3.38Å; L173-S183 PolarHBondContact N-O 3.42Å; L173-S183 PolarHBondContact O-N 3.19Å
184	E	96.8	Very high	94.7	Very high	89 Å²	89	45.3 Å²	45.3	42%	0.416	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.4	172.4	172.7	166.6	-153.5	0	0	107.9	T170 K172 M181 P186	T170-E184 WeakPolarHBondContact CG2-OE1 3.43Å; K172-E184 WeakPolarHBondContact CE-OE1 3.3Å; K172-E184 HydrophobicContact CG-CB 4.28Å; K172-E184 HydrophobicContact CG-CG 4.27Å; K172-E184 IonicContact NZ-OE1 2.79Å; K172-E184 PolarHBondContact NZ-OE1 3.47Å; K172-E184 IonicContact NZ-OE2 3.99Å; K172-E184 PolarHBondContact NZ-OE2 2.84Å; M181-E184 HydrophobicContact SD-CB 4.49Å; E184-P186 WeakPolarHBondContact O-CD 3.46Å
185	F	97	Very high	94.7	Very high	2 Å²	2	45 Å²	45	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	92.9	-178.3	-56.7	-68.2	0	0	0	109.3	V171 L173 L204 W216 L218 F221	V171-F185 HydrophobicContact CB-CB 4.17Å; V171-F185 HydrophobicContact CB-CD2 4.14Å; V171-F185 HydrophobicContact CG1-CD2 3.99Å; V171-F185 PolarHBondContact N-O 2.75Å; V171-F185 PolarHBondContact O-N 2.8Å; L173-F185 HydrophobicContact CB-CE2 4.01Å; F185-L204 HydrophobicContact CD2-CD2 4.5Å; F185-L204 HydrophobicContact CE2-CD2 4.22Å; F185-W216 HydrophobicContact CB-CD2 3.81Å; F185-W216 HydrophobicContact CB-CE3 3.8Å; F185-W216 HydrophobicContact CB-CG 4.49Å; F185-W216 HydrophobicContact CB-CH2 3.93Å; F185-W216 HydrophobicContact CB-CZ2 3.93Å; F185-W216 HydrophobicContact CB-CZ3 3.87Å; F185-W216 HydrophobicContact CD1-CB 4.27Å; F185-W216 AromaticContact CD1-CD2 3.93Å; F185-W216 HydrophobicContact CD1-CD2 3.93Å; F185-W216 AromaticContact CD1-CE3 3.62Å; F185-W216 HydrophobicContact CD1-CE3 3.62Å; F185-W216 HydrophobicContact CD1-CG 4.23Å; F185-W216 HydrophobicContact CD1-CZ3 4.26Å; F185-W216 HydrophobicContact CE1-CB 4.17Å; F185-W216 HydrophobicContact CE1-CE3 4.47Å; F185-W216 AromaticContact CG-CD2 3.92Å; F185-W216 HydrophobicContact CG-CD2 3.92Å; F185-W216 AromaticContact CG-CE3 3.97Å; F185-W216 HydrophobicContact CG-CE3 3.97Å; F185-W216 HydrophobicContact CG-CG 4.2Å; F185-W216 HydrophobicContact CG-CZ3 4.47Å; F185-W216 HydrophobicContact CZ-CB 4.39Å; F185-L218 HydrophobicContact CE2-CD2 4.21Å; F185-L218 HydrophobicContact CZ-CD2 3.78Å; F185-F221 HydrophobicContact CE1-CB 4.05Å; F185-F221 HydrophobicContact CE1-CD1 4.17Å; F185-F221 AromaticContact CZ-CD1 3.94Å; F185-F221 HydrophobicContact CZ-CD1 3.94Å
186	P	93.8	Very high	94.9	Very high	88 Å²	88	45.3 Å²	45.3	57%	0.571	27%	0.267	S	S	*	.			trans	-80.9	149.6	173	33.8	-35.2	0	0	0	110.6	E184 W216	E184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-W216 VanDerWaalsContact O-CH2 3.3Å; P186-W216 WeakPolarHBondContact O-CH2 3.45Å
187	G	91	Very high	95.1	Very high	29 Å²	29	45 Å²	45	30%	0.299	27%	0.265	S	S	.	.			trans	153.7	-25.4	171	0	0	0	0	0	114.6	R214	G187-R214 VanDerWaalsContact C-CZ 3.47Å; G187-R214 PolarHBondContact O-NE 3.15Å; G187-R214 PolarHBondContact O-NH2 3.31Å
188	H	97.1	Very high	95.4	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.051	23%	0.231	C	C	.	.			trans	-69.2	145.2	169.7	-75.2	-61	0	0	0	110.7	H169 V192 S206 S208 D210 T212	H169-H188 WeakPolarHBondContact CB-O 3.24Å; H188-V192 HydrophobicContact CB-CG2 3.96Å; H188-S206 PolarHBondContact NE2-OG 3.44Å; H188-S208 VanDerWaalsContact CE1-CB 3.47Å; H188-S208 WeakPolarHBondContact CE1-CB 3.43Å; H188-S208 WeakPolarHBondContact ND1-CB 3.2Å; H188-D210 WeakPolarHBondContact CA-OD2 3.2Å; H188-D210 VanDerWaalsContact CB-OD2 3.26Å; H188-D210 WeakPolarHBondContact CB-OD2 3.48Å; H188-D210 IonicContact CG-OD2 3.7Å; H188-D210 IonicContact ND1-OD1 3.9Å; H188-D210 PolarHBondContact ND1-OD1 2.95Å; H188-D210 IonicContact ND1-OD2 2.87Å; H188-D210 PolarHBondContact ND1-OD2 2.9Å; H188-T212 PolarHBondContact CE1-OG1 3.41Å; H188-T212 PolarHBondContact ND1-OG1 3.06Å
189	T	96.9	Very high	95.4	Very high	119 Å²	119	39.3 Å²	39.3	73%	0.73	23%	0.225	S	C	*	.	S	Bend	trans	-105.4	0.6	178.5	58.7	0	0	0	0	112.7	D210	T189-D210 PolarHBondContact N-OD2 3.14Å; T189-D210 WeakPolarHBondContact OG1-CB 3.12Å
190	G	97.1	Very high	95.3	Very high	8 Å²	8	43.8 Å²	43.8	8%	0.082	25%	0.245	C	C	.	.	S	Bend	trans	-142.6	176	176.6	0	0	0	0	0	111.9	H169 V192 S208	H169-G190 WeakPolarHBondContact CB-O 3.47Å; H169-G190 WeakPolarHBondContact ND1-CA 3.34Å; H169-G190 PolarHBondContact ND1-O 3.03Å; G190-V192 PolarHBondContact O-N 3.41Å; G190-S208 PolarHBondContact O-OG 3.32Å
191	P	97.6	Very high	95	Very high	36 Å²	36	42.9 Å²	42.9	23%	0.234	24%	0.243	C	C	.	.			trans	-52	128.5	178.7	-33.4	38.9	0	0	0	113.6	D167 N193 S208 S209	D167-P191 VanDerWaalsContact OD1-CB 3.25Å; D167-P191 WeakPolarHBondContact OD1-CB 3.48Å; P191-N193 PolarHBondContact O-N 3.16Å; P191-S208 WeakPolarHBondContact O-CA 3.35Å; P191-S208 PolarHBondContact O-OG 3.25Å; P191-S209 PolarHBondContact O-N 3.02Å; P191-S209 PolarHBondContact O-OG 3.45Å
192	V	98.2	Very high	94.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.7	175	-166.1	0	0	0	0	108.2	A165 A166 V171 H188 G190 G207	A165-V192 HydrophobicContact CB-CB 3.71Å; A165-V192 HydrophobicContact CB-CG1 3.49Å; A165-V192 VanDerWaalsContact CB-CG1 3.49Å; A166-V192 PolarHBondContact O-N 2.84Å; A166-V192 VanDerWaalsContact O-N 3.1Å; V171-V192 HydrophobicContact CG2-CB 4.4Å; V171-V192 HydrophobicContact CG2-CG1 3.79Å; V171-V192 HydrophobicContact CG2-CG2 4.24Å; H188-V192 HydrophobicContact CB-CG2 3.96Å; G190-V192 PolarHBondContact O-N 3.41Å; V192-G207 WeakPolarHBondContact CG1-O 3.48Å
193	N	96	Very high	94.7	Very high	26 Å²	26	41.8 Å²	41.8	14%	0.139	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-33.5	-171.8	-64.9	-36.7	0	0	0	112.3	C152 P191 G207 S209 V234	C152-N193 WeakPolarHBondContact CB-O 3.33Å; P191-N193 PolarHBondContact O-N 3.16Å; N193-G207 PolarHBondContact N-O 3.07Å; N193-S209 PolarHBondContact ND2-N 2.73Å; N193-S209 PolarHBondContact ND2-OG 2.91Å; N193-S209 PolarHBondContact OD1-OG 3.35Å; N193-V234 WeakPolarHBondContact CB-O 3.43Å; N193-V234 PolarHBondContact ND2-O 2.96Å
194	V	96.9	Very high	94.8	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.2	-171.5	64.3	0	0	0	0	110.7	S206 G207 V234 V237	V194-S206 WeakPolarHBondContact O-CA 3.22Å; V194-G207 PolarHBondContact N-O 3.47Å; V194-G207 PolarHBondContact O-N 3.41Å; V194-V234 HydrophobicContact CG1-CG1 4.32Å; V194-V237 HydrophobicContact CB-CG2 4.43Å; V194-V237 HydrophobicContact CG1-CG1 4.13Å; V194-V237 HydrophobicContact CG1-CG2 3.81Å; V194-V237 HydrophobicContact CG2-CG2 3.76Å
195	V	98	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.5	168.8	-74.7	0	0	0	0	108.9	C152 R154 A163 A165 V171 A205	C152-V195 HydrophobicContact CB-CG2 4.18Å; R154-V195 HydrophobicContact CB-CG2 4.46Å; R154-V195 HydrophobicContact CG-CG2 4.37Å; R154-V195 WeakPolarHBondContact CG-O 3.35Å; A163-V195 HydrophobicContact CB-CG2 4.28Å; A165-V195 HydrophobicContact CB-CB 4.4Å; A165-V195 HydrophobicContact CB-CG1 3.47Å; A165-V195 VanDerWaalsContact CB-CG1 3.47Å; A165-V195 HydrophobicContact CB-CG2 4.18Å; V171-V195 HydrophobicContact CB-CG1 4.49Å; V171-V195 HydrophobicContact CG1-CG1 3.77Å; V171-V195 HydrophobicContact CG2-CG1 3.86Å; V195-A205 CarbonylContact C-O 3.58Å; V195-A205 VanDerWaalsContact CA-O 3.31Å; V195-A205 WeakPolarHBondContact CA-O 3.37Å
196	E	97.6	Very high	94.9	Very high	28 Å²	28	36.2 Å²	36.2	13%	0.131	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	136.2	176.9	-161.6	-178.3	-179	0	0	111.1	L204 A205 V237 L238 F239	E196-L204 WeakPolarHBondContact O-CD1 3.48Å; E196-A205 PolarHBondContact N-O 2.9Å; E196-A205 PolarHBondContact O-N 3.21Å; E196-V237 HydrophobicContact CB-CG2 3.93Å; E196-V237 VanDerWaalsContact OE2-O 3.05Å; E196-L238 WeakPolarHBondContact OE1-CA 3.5Å; E196-L238 WeakPolarHBondContact OE1-CD1 3.44Å; E196-L238 WeakPolarHBondContact OE2-CA 3.14Å; E196-L238 PolarHBondContact OE2-N 2.85Å; E196-F239 HydrophobicContact CB-CD2 4.2Å; E196-F239 HydrophobicContact CB-CE2 4.31Å; E196-F239 VanDerWaalsContact CD-N 3.3Å; E196-F239 HydrophobicContact CG-CD2 3.93Å; E196-F239 WeakPolarHBondContact O-CE2 3Å; E196-F239 PolarHBondContact OE1-N 3.39Å; E196-F239 PolarHBondContact OE2-N 3.33Å; E196-F239 VanDerWaalsContact OE2-N 3.11Å
197	F	97.4	Very high	95	Very high	17 Å²	17	32 Å²	32	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140.6	172.6	-74.3	-85.6	0	0	0	110.2	R154 F155 P157 W161 A163 L173 L204 L218 F239	R154-F197 HydrophobicContact CB-CD2 4Å; R154-F197 HydrophobicContact CB-CE2 4.18Å; R154-F197 WeakPolarHBondContact O-CE2 3.27Å; F155-F197 WeakPolarHBondContact O-CD2 3.42Å; P157-F197 HydrophobicContact CG-CB 4.09Å; W161-F197 HydrophobicContact CE3-CE1 4.43Å; A163-F197 HydrophobicContact CB-CD2 4.49Å; A163-F197 HydrophobicContact CB-CE2 3.48Å; A163-F197 VanDerWaalsContact CB-CE2 3.48Å; A163-F197 HydrophobicContact CB-CZ 3.53Å; L173-F197 HydrophobicContact CD1-CE1 4.05Å; L173-F197 HydrophobicContact CD1-CZ 3.72Å; F197-L204 HydrophobicContact CD1-CD1 3.78Å; F197-L204 HydrophobicContact CD2-CD1 3.98Å; F197-L204 HydrophobicContact CE1-CD1 3.84Å; F197-L204 HydrophobicContact CE2-CD1 4.02Å; F197-L204 HydrophobicContact CG-CD1 3.87Å; F197-L204 HydrophobicContact CZ-CD1 3.97Å; F197-L218 HydrophobicContact CD1-CD1 3.72Å; F197-L218 HydrophobicContact CE1-CD1 3.53Å; F197-F239 WeakPolarHBondContact O-CD2 3.36Å
198	H	95.3	Very high	95.3	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.019	16%	0.162	C	C	.	.			trans	-65.7	140.8	166.6	-175.6	-80.2	0	0	0	110.1	N200 E201 L203 F239 G243 W259	H198-N200 PolarHBondContact ND1-N 3.34Å; H198-N200 PolarHBondContact O-N 3.17Å; H198-E201 PolarHBondContact CE1-N 3.5Å; H198-E201 PolarHBondContact ND1-N 3.47Å; H198-L203 HydrophobicContact CB-CB 3.73Å; H198-L203 HydrophobicContact CB-CD2 4.32Å; H198-L203 HydrophobicContact CB-CG 4.5Å; H198-L203 WeakPolarHBondContact CB-O 3.44Å; H198-L203 PolarHBondContact N-O 2.64Å; H198-F239 HydrophobicContact CB-CD1 4.44Å; H198-F239 HydrophobicContact CB-CD2 4.35Å; H198-F239 HydrophobicContact CB-CE1 4.15Å; H198-F239 HydrophobicContact CB-CE2 4.05Å; H198-F239 HydrophobicContact CB-CZ 3.93Å; H198-F239 AromaticContact CD2-CD1 3.55Å; H198-F239 AromaticContact CD2-CE1 3.52Å; H198-G243 WeakPolarHBondContact NE2-CA 3.2Å; H198-G243 PolarHBondContact NE2-O 2.89Å; H198-W259 AromaticContact CD2-CH2 3.58Å; H198-W259 AromaticContact CD2-CZ2 3.38Å; H198-W259 WeakPolarHBondContact CD2-CZ2 3.28Å; H198-W259 AromaticContact NE2-CH2 3.7Å; H198-W259 AromaticContact NE2-CZ2 3.39Å; H198-W259 WeakPolarHBondContact NE2-CZ2 3.42Å
199	P	89.7	Confident	95.3	Very high	47 Å²	47	32.2 Å²	32.2	31%	0.305	17%	0.174	S	C	.	.	S	Bend	trans	-69.5	-29.4	-173.1	24.2	-34.4	0	0	0	114.5
200	N	85.1	Confident	95.2	Very high	112 Å²	112	27.8 Å²	27.8	60%	0.599	15%	0.146	S	C	*	.	S	Bend	trans	-117.1	-42	-171	-56.8	-42.7	0	0	0	114.5	H198 D242	H198-N200 PolarHBondContact ND1-N 3.34Å; H198-N200 PolarHBondContact O-N 3.17Å; N200-D242 PolarHBondContact ND2-O 2.92Å
201	E	86.9	Confident	95.1	Very high	107 Å²	107	34 Å²	34	50%	0.5	17%	0.167	S	C	.	.	S	Bend	trans	-93	161.3	179.7	-57.6	176.9	177.1	0	0	114.2	H198 L203	H198-E201 PolarHBondContact CE1-N 3.5Å; H198-E201 PolarHBondContact ND1-N 3.47Å; E201-L203 HydrophobicContact CB-CB 4.41Å; E201-L203 PolarHBondContact O-N 3.4Å
202	Y	90.3	Very high	95.1	Very high	113 Å²	113	33 Å²	33	44%	0.443	16%	0.16	S	C	.	.	S	Bend	trans	-76.1	59.6	172.8	-78.8	-71.3	0	0	0	111.7	W161 L218 E219	W161-Y202 AromaticContact CH2-CD1 3.71Å; W161-Y202 HydrophobicContact CH2-CD1 3.71Å; W161-Y202 AromaticContact CH2-CE1 3.61Å; W161-Y202 HydrophobicContact CH2-CE1 3.61Å; W161-Y202 AromaticContact CZ3-CD1 3.66Å; W161-Y202 HydrophobicContact CZ3-CD1 3.66Å; W161-Y202 AromaticContact CZ3-CE1 3.82Å; W161-Y202 HydrophobicContact CZ3-CE1 3.82Å; Y202-L218 HydrophobicContact CD1-CB 4.42Å; Y202-L218 WeakPolarHBondContact O-CB 3.45Å; Y202-L218 PolarHBondContact O-N 3.13Å; Y202-E219 HydrophobicContact CD2-CG 4.07Å; Y202-E219 WeakPolarHBondContact CD2-OE1 3.47Å; Y202-E219 HydrophobicContact CG-CG 4.04Å
203	L	94.4	Very high	95	Very high	7 Å²	7	33 Å²	33	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.7	-175.7	-171.2	80.4	0	0	0	110.7	H198 E201 F215 W216 V224 F239 W259	H198-L203 HydrophobicContact CB-CB 3.73Å; H198-L203 HydrophobicContact CB-CD2 4.32Å; H198-L203 HydrophobicContact CB-CG 4.5Å; H198-L203 WeakPolarHBondContact CB-O 3.44Å; H198-L203 PolarHBondContact N-O 2.64Å; E201-L203 HydrophobicContact CB-CB 4.41Å; E201-L203 PolarHBondContact O-N 3.4Å; L203-F215 HydrophobicContact CD1-CB 4.19Å; L203-F215 HydrophobicContact CD2-CD1 3.96Å; L203-F215 HydrophobicContact CG-CD1 4.42Å; L203-W216 WeakPolarHBondContact CA-O 3.36Å; L203-V224 HydrophobicContact CD1-CG2 3.91Å; L203-F239 HydrophobicContact CD2-CE1 4.27Å; L203-F239 HydrophobicContact CD2-CZ 4.14Å; L203-W259 VanDerWaalsContact CD2-CD1 3.45Å; L203-W259 HydrophobicContact CD2-CD2 3.75Å; L203-W259 HydrophobicContact CD2-CG 3.72Å; L203-W259 HydrophobicContact CD2-CZ2 4.22Å
204	L	97.7	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.9	173.8	-174.6	77	0	0	0	109.9	A163 V171 F185 E196 F197 F215 W216 L218	A163-L204 HydrophobicContact CB-CD1 3.79Å; A163-L204 HydrophobicContact CB-CD2 4.03Å; V171-L204 HydrophobicContact CG1-CD2 3.72Å; F185-L204 HydrophobicContact CD2-CD2 4.5Å; F185-L204 HydrophobicContact CE2-CD2 4.22Å; E196-L204 WeakPolarHBondContact O-CD1 3.48Å; F197-L204 HydrophobicContact CD1-CD1 3.78Å; F197-L204 HydrophobicContact CD2-CD1 3.98Å; F197-L204 HydrophobicContact CE1-CD1 3.84Å; F197-L204 HydrophobicContact CE2-CD1 4.02Å; F197-L204 HydrophobicContact CG-CD1 3.87Å; F197-L204 HydrophobicContact CZ-CD1 3.97Å; L204-F215 CarbonylContact O-C 3.57Å; L204-F215 WeakPolarHBondContact O-CA 3.38Å; L204-W216 HydrophobicContact CB-CB 4.32Å; L204-W216 PolarHBondContact N-O 2.87Å; L204-W216 PolarHBondContact O-N 3.48Å; L204-L218 HydrophobicContact CB-CD1 4.2Å; L204-L218 HydrophobicContact CB-CD2 3.88Å; L204-L218 HydrophobicContact CB-CG 4.21Å; L204-L218 HydrophobicContact CD2-CD2 4.5Å
205	A	97.8	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.5	169	0	0	0	0	0	110.4	V195 E196 R214 F215 F239 L246	V195-A205 CarbonylContact C-O 3.58Å; V195-A205 VanDerWaalsContact CA-O 3.31Å; V195-A205 WeakPolarHBondContact CA-O 3.37Å; E196-A205 PolarHBondContact N-O 2.9Å; E196-A205 PolarHBondContact O-N 3.21Å; A205-R214 CarbonylContact C-O 3.52Å; A205-R214 WeakPolarHBondContact CA-O 3.38Å; A205-F215 HydrophobicContact CB-CD1 3.96Å; A205-F215 HydrophobicContact CB-CE1 3.85Å; A205-F239 HydrophobicContact CB-CE2 3.65Å; A205-F239 HydrophobicContact CB-CZ 3.63Å; A205-L246 HydrophobicContact CB-CD1 4.19Å; A205-L246 HydrophobicContact CB-CD2 4.01Å
206	S	98	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.9	171.3	62.5	0	0	0	0	111.5	H188 V194 I213 R214 W216	H188-S206 PolarHBondContact NE2-OG 3.44Å; V194-S206 WeakPolarHBondContact O-CA 3.22Å; S206-I213 CarbonylContact O-C 3.56Å; S206-I213 VanDerWaalsContact O-CA 3.28Å; S206-I213 WeakPolarHBondContact O-CA 3.21Å; S206-R214 PolarHBondContact N-O 3.19Å; S206-R214 PolarHBondContact O-N 3.29Å; S206-W216 PolarHBondContact OG-NE1 3.45Å
207	G	97	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.5	177.7	0	0	0	0	0	111.3	V192 N193 V194	V192-G207 WeakPolarHBondContact CG1-O 3.48Å; N193-G207 PolarHBondContact N-O 3.07Å; V194-G207 PolarHBondContact N-O 3.47Å; V194-G207 PolarHBondContact O-N 3.41Å
208	S	97.1	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	161.4	-171.6	170.4	0	0	0	0	113.6	H188 G190 P191 D210 R211 T212 V234	H188-S208 VanDerWaalsContact CE1-CB 3.47Å; H188-S208 WeakPolarHBondContact CE1-CB 3.43Å; H188-S208 WeakPolarHBondContact ND1-CB 3.2Å; G190-S208 PolarHBondContact O-OG 3.32Å; P191-S208 WeakPolarHBondContact O-CA 3.35Å; P191-S208 PolarHBondContact O-OG 3.25Å; S208-D210 WeakPolarHBondContact CB-OD1 3.39Å; S208-D210 PolarHBondContact O-N 3.24Å; S208-D210 PolarHBondContact OG-N 3.42Å; S208-D210 VanDerWaalsContact OG-N 3.13Å; S208-D210 PolarHBondContact OG-OD1 3.5Å; S208-D210 VanDerWaalsContact OG-OD1 3.11Å; S208-D210 PolarHBondContact OG-OD2 3.48Å; S208-D210 VanDerWaalsContact OG-OD2 3.06Å; S208-R211 PolarHBondContact O-N 2.79Å; S208-T212 PolarHBondContact N-O 3.47Å; S208-V234 PolarHBondContact O-N 2.74Å; S208-V234 VanDerWaalsContact O-N 3.13Å
209	S	95.8	Very high	94.4	Very high	43 Å²	43	39.6 Å²	39.6	30%	0.301	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.2	170.7	-60	0	0	0	0	113.3	P191 N193 R211	P191-S209 PolarHBondContact O-N 3.02Å; P191-S209 PolarHBondContact O-OG 3.45Å; N193-S209 PolarHBondContact ND2-N 2.73Å; N193-S209 PolarHBondContact ND2-OG 2.91Å; N193-S209 PolarHBondContact OD1-OG 3.35Å; S209-R211 PolarHBondContact O-N 3.17Å
210	D	96.1	Very high	94.4	Very high	27 Å²	27	44 Å²	44	14%	0.144	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	0.6	170.5	64.4	20	0	0	0	114	H188 T189 S208 T212	H188-D210 WeakPolarHBondContact CA-OD2 3.2Å; H188-D210 VanDerWaalsContact CB-OD2 3.26Å; H188-D210 WeakPolarHBondContact CB-OD2 3.48Å; H188-D210 IonicContact CG-OD2 3.7Å; H188-D210 IonicContact ND1-OD1 3.9Å; H188-D210 PolarHBondContact ND1-OD1 2.95Å; H188-D210 IonicContact ND1-OD2 2.87Å; H188-D210 PolarHBondContact ND1-OD2 2.9Å; T189-D210 PolarHBondContact N-OD2 3.14Å; T189-D210 WeakPolarHBondContact OG1-CB 3.12Å; S208-D210 WeakPolarHBondContact CB-OD1 3.39Å; S208-D210 PolarHBondContact O-N 3.24Å; S208-D210 PolarHBondContact OG-N 3.42Å; S208-D210 VanDerWaalsContact OG-N 3.13Å; S208-D210 PolarHBondContact OG-OD1 3.5Å; S208-D210 VanDerWaalsContact OG-OD1 3.11Å; S208-D210 PolarHBondContact OG-OD2 3.48Å; S208-D210 VanDerWaalsContact OG-OD2 3.06Å; D210-T212 VanDerWaalsContact C-N 3.34Å; D210-T212 VanDerWaalsContact CG-OG1 3.26Å; D210-T212 WeakPolarHBondContact OD1-CB 3.42Å; D210-T212 PolarHBondContact OD1-N 3.38Å; D210-T212 PolarHBondContact OD1-OG1 2.91Å; D210-T212 PolarHBondContact OD2-OG1 2.93Å
211	R	95.2	Very high	94.7	Very high	137 Å²	137	42 Å²	42	52%	0.517	19%	0.189	S	C	.	.	S	Bend	trans	69.7	29.9	179.2	-49.7	177.3	-91.4	177.4	-6	113.3	S208 S209 E230	S208-R211 PolarHBondContact O-N 2.79Å; S209-R211 PolarHBondContact O-N 3.17Å; R211-E230 HydrophobicContact CB-CB 4.13Å; R211-E230 WeakPolarHBondContact CB-O 3.41Å; R211-E230 VanDerWaalsContact CD-O 3.32Å; R211-E230 WeakPolarHBondContact CD-O 3.46Å; R211-E230 WeakPolarHBondContact O-CB 3.28Å; R211-E230 PolarHBondContact O-N 2.98Å
212	T	96.1	Very high	94.9	Very high	15 Å²	15	43 Å²	43	9%	0.092	19%	0.193	C	C	.	.			trans	-120.1	152	173.6	70.4	0	0	0	0	112	H188 S208 D210 I227 E228	H188-T212 PolarHBondContact CE1-OG1 3.41Å; H188-T212 PolarHBondContact ND1-OG1 3.06Å; S208-T212 PolarHBondContact N-O 3.47Å; D210-T212 VanDerWaalsContact C-N 3.34Å; D210-T212 VanDerWaalsContact CG-OG1 3.26Å; D210-T212 WeakPolarHBondContact OD1-CB 3.42Å; D210-T212 PolarHBondContact OD1-N 3.38Å; D210-T212 PolarHBondContact OD1-OG1 2.91Å; D210-T212 PolarHBondContact OD2-OG1 2.93Å; T212-I227 WeakPolarHBondContact CA-O 3.3Å; T212-I227 WeakPolarHBondContact CB-O 3.33Å; T212-E228 HydrophobicContact CG2-CG 4.17Å
213	I	97.4	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124	166.4	-55.3	174.5	0	0	0	107.4	S206 F215 C226 I227 V234 V237 L246 S248 Y257	S206-I213 CarbonylContact O-C 3.56Å; S206-I213 VanDerWaalsContact O-CA 3.28Å; S206-I213 WeakPolarHBondContact O-CA 3.21Å; I213-F215 HydrophobicContact CG2-CE2 4.14Å; I213-F215 HydrophobicContact CG2-CZ 4.14Å; I213-C226 CarbonylContact O-C 3.55Å; I213-C226 WeakPolarHBondContact O-CA 3.06Å; I213-I227 HydrophobicContact CB-CB 4.25Å; I213-I227 HydrophobicContact CB-CD1 4.29Å; I213-I227 PolarHBondContact N-O 2.95Å; I213-I227 PolarHBondContact O-N 3.13Å; I213-V234 HydrophobicContact CD1-CG1 4.28Å; I213-V234 HydrophobicContact CD1-CG2 4.3Å; I213-V234 HydrophobicContact CG1-CB 4.48Å; I213-V234 HydrophobicContact CG1-CG1 4.11Å; I213-V234 HydrophobicContact CG1-CG2 3.77Å; I213-V237 HydrophobicContact CD1-CG1 4.49Å; I213-L246 HydrophobicContact CG2-CD2 3.85Å; I213-S248 WeakPolarHBondContact CD1-OG 3.35Å; I213-Y257 HydrophobicContact CD1-CD2 4.04Å; I213-Y257 HydrophobicContact CD1-CE2 3.74Å
214	R	97.3	Very high	94.9	Very high	47 Å²	47	42.9 Å²	42.9	18%	0.177	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.9	178.2	-70.5	178.6	173.3	-107.5	-7.5	110.4	G187 A205 S206 W216 C226	G187-R214 VanDerWaalsContact C-CZ 3.47Å; G187-R214 PolarHBondContact O-NE 3.15Å; G187-R214 PolarHBondContact O-NH2 3.31Å; A205-R214 CarbonylContact C-O 3.52Å; A205-R214 WeakPolarHBondContact CA-O 3.38Å; S206-R214 PolarHBondContact N-O 3.19Å; S206-R214 PolarHBondContact O-N 3.29Å; R214-W216 HydrophobicContact CB-CZ2 3.69Å; R214-W216 HydrophobicContact CG-CZ2 4.23Å; R214-C226 HydrophobicContact CG-CB 4.21Å
215	F	97.5	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.2	173.7	-64.2	-85.3	0	0	0	109.8	L203 L204 A205 I213 V223 V224 S225 I227 F239 L246 W259	L203-F215 HydrophobicContact CD1-CB 4.19Å; L203-F215 HydrophobicContact CD2-CD1 3.96Å; L203-F215 HydrophobicContact CG-CD1 4.42Å; L204-F215 CarbonylContact O-C 3.57Å; L204-F215 WeakPolarHBondContact O-CA 3.38Å; A205-F215 HydrophobicContact CB-CD1 3.96Å; A205-F215 HydrophobicContact CB-CE1 3.85Å; I213-F215 HydrophobicContact CG2-CE2 4.14Å; I213-F215 HydrophobicContact CG2-CZ 4.14Å; F215-V223 WeakPolarHBondContact O-CA 3.2Å; F215-V224 HydrophobicContact CB-CB 4.14Å; F215-V224 PolarHBondContact O-N 3.04Å; F215-S225 WeakPolarHBondContact CD2-OG 3.39Å; F215-S225 PolarHBondContact N-O 3.44Å; F215-I227 HydrophobicContact CE2-CD1 3.56Å; F215-I227 HydrophobicContact CE2-CG1 4.17Å; F215-I227 HydrophobicContact CZ-CD1 4.13Å; F215-F239 HydrophobicContact CD1-CZ 4.39Å; F215-F239 HydrophobicContact CE1-CE1 4.22Å; F215-F239 HydrophobicContact CE1-CZ 4.09Å; F215-L246 HydrophobicContact CE1-CB 4.32Å; F215-L246 HydrophobicContact CE1-CD2 3.78Å; F215-L246 HydrophobicContact CZ-CB 4.24Å; F215-L246 HydrophobicContact CZ-CD2 3.61Å; F215-W259 HydrophobicContact CB-CB 4.21Å; F215-W259 HydrophobicContact CD1-CB 3.64Å; F215-W259 HydrophobicContact CD1-CD2 4.39Å; F215-W259 HydrophobicContact CD1-CE3 4.42Å; F215-W259 HydrophobicContact CD1-CG 4.09Å; F215-W259 HydrophobicContact CD2-CB 3.57Å; F215-W259 HydrophobicContact CE1-CB 3.77Å; F215-W259 HydrophobicContact CE1-CD2 4.12Å; F215-W259 AromaticContact CE1-CE3 3.72Å; F215-W259 HydrophobicContact CE1-CE3 3.72Å; F215-W259 HydrophobicContact CE1-CG 4.18Å; F215-W259 HydrophobicContact CE2-CB 3.7Å; F215-W259 HydrophobicContact CG-CB 3.53Å; F215-W259 HydrophobicContact CG-CG 4.38Å; F215-W259 HydrophobicContact CZ-CB 3.8Å; F215-W259 HydrophobicContact CZ-CE3 4.05Å
216	W	96.8	Very high	94.5	Very high	9 Å²	9	44.6 Å²	44.6	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.1	-175.2	-48.5	94.1	0	0	0	110	F185 P186 L203 L204 S206 R214 Q222 V223	F185-W216 HydrophobicContact CB-CD2 3.81Å; F185-W216 HydrophobicContact CB-CE3 3.8Å; F185-W216 HydrophobicContact CB-CG 4.49Å; F185-W216 HydrophobicContact CB-CH2 3.93Å; F185-W216 HydrophobicContact CB-CZ2 3.93Å; F185-W216 HydrophobicContact CB-CZ3 3.87Å; F185-W216 HydrophobicContact CD1-CB 4.27Å; F185-W216 AromaticContact CD1-CD2 3.93Å; F185-W216 HydrophobicContact CD1-CD2 3.93Å; F185-W216 AromaticContact CD1-CE3 3.62Å; F185-W216 HydrophobicContact CD1-CE3 3.62Å; F185-W216 HydrophobicContact CD1-CG 4.23Å; F185-W216 HydrophobicContact CD1-CZ3 4.26Å; F185-W216 HydrophobicContact CE1-CB 4.17Å; F185-W216 HydrophobicContact CE1-CE3 4.47Å; F185-W216 AromaticContact CG-CD2 3.92Å; F185-W216 HydrophobicContact CG-CD2 3.92Å; F185-W216 AromaticContact CG-CE3 3.97Å; F185-W216 HydrophobicContact CG-CE3 3.97Å; F185-W216 HydrophobicContact CG-CG 4.2Å; F185-W216 HydrophobicContact CG-CZ3 4.47Å; F185-W216 HydrophobicContact CZ-CB 4.39Å; P186-W216 VanDerWaalsContact O-CH2 3.3Å; P186-W216 WeakPolarHBondContact O-CH2 3.45Å; L203-W216 WeakPolarHBondContact CA-O 3.36Å; L204-W216 HydrophobicContact CB-CB 4.32Å; L204-W216 PolarHBondContact N-O 2.87Å; L204-W216 PolarHBondContact O-N 3.48Å; S206-W216 PolarHBondContact OG-NE1 3.45Å; R214-W216 HydrophobicContact CB-CZ2 3.69Å; R214-W216 HydrophobicContact CG-CZ2 4.23Å; W216-Q222 WeakPolarHBondContact CA-O 3.43Å; W216-V223 HydrophobicContact CE3-CB 4.01Å; W216-V223 HydrophobicContact CE3-CG2 4.48Å; W216-V223 HydrophobicContact CZ3-CB 3.83Å; W216-V223 HydrophobicContact CZ3-CG2 4.34Å
217	D	93.4	Very high	94.3	Very high	28 Å²	28	45.3 Å²	45.3	15%	0.15	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.6	170.2	178.3	-7.2	0	0	0	108.1	E219 K220 F221 Q222 V224	D217-E219 WeakPolarHBondContact OD1-CA 3.34Å; D217-E219 WeakPolarHBondContact OD1-CB 3.37Å; D217-E219 PolarHBondContact OD1-N 3.46Å; D217-K220 PolarHBondContact OD1-N 2.9Å; D217-K220 WeakPolarHBondContact OD2-CB 3.07Å; D217-K220 WeakPolarHBondContact OD2-CD 3.4Å; D217-K220 WeakPolarHBondContact OD2-CG 3.2Å; D217-F221 WeakPolarHBondContact O-CA 3.34Å; D217-F221 PolarHBondContact O-N 2.96Å; D217-Q222 PolarHBondContact N-O 3.33Å; D217-Q222 PolarHBondContact O-N 3.25Å; D217-V224 HydrophobicContact CB-CG2 3.65Å
218	L	93.3	Very high	94	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.3	-179.5	-55.6	177.1	0	0	0	113.4	W161 L173 F185 F197 Y202 L204 F221	W161-L218 HydrophobicContact CE3-CD1 4.2Å; W161-L218 HydrophobicContact CH2-CB 4.39Å; W161-L218 HydrophobicContact CZ3-CB 3.82Å; W161-L218 HydrophobicContact CZ3-CD1 3.88Å; W161-L218 HydrophobicContact CZ3-CG 4.46Å; L173-L218 HydrophobicContact CD2-CD2 4.14Å; F185-L218 HydrophobicContact CE2-CD2 4.21Å; F185-L218 HydrophobicContact CZ-CD2 3.78Å; F197-L218 HydrophobicContact CD1-CD1 3.72Å; F197-L218 HydrophobicContact CE1-CD1 3.53Å; Y202-L218 HydrophobicContact CD1-CB 4.42Å; Y202-L218 WeakPolarHBondContact O-CB 3.45Å; Y202-L218 PolarHBondContact O-N 3.13Å; L204-L218 HydrophobicContact CB-CD1 4.2Å; L204-L218 HydrophobicContact CB-CD2 3.88Å; L204-L218 HydrophobicContact CB-CG 4.21Å; L204-L218 HydrophobicContact CD2-CD2 4.5Å; L218-F221 VanDerWaalsContact O-CE1 3.28Å; L218-F221 WeakPolarHBondContact O-CE1 3.2Å; L218-F221 VanDerWaalsContact O-CZ 3.3Å; L218-F221 WeakPolarHBondContact O-CZ 3.46Å
219	E	90.6	Very high	93.3	Very high	135 Å²	135	55.5 Å²	55.5	63%	0.631	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-46.8	168.6	-60.6	-171.5	169	0	0	110.7	Y202 D217	Y202-E219 HydrophobicContact CD2-CG 4.07Å; Y202-E219 WeakPolarHBondContact CD2-OE1 3.47Å; Y202-E219 HydrophobicContact CG-CG 4.04Å; D217-E219 WeakPolarHBondContact OD1-CA 3.34Å; D217-E219 WeakPolarHBondContact OD1-CB 3.37Å; D217-E219 PolarHBondContact OD1-N 3.46Å
220	K	88.4	Confident	92.9	Very high	141 Å²	141	54 Å²	54	61%	0.613	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-12.8	-178.3	-62.5	176.7	-169.1	154.3	0	114.2	D217 Q222	D217-K220 PolarHBondContact OD1-N 2.9Å; D217-K220 WeakPolarHBondContact OD2-CB 3.07Å; D217-K220 WeakPolarHBondContact OD2-CD 3.4Å; D217-K220 WeakPolarHBondContact OD2-CG 3.2Å; K220-Q222 VanDerWaalsContact C-N 3.32Å; K220-Q222 HydrophobicContact CB-CG 4.44Å; K220-Q222 PolarHBondContact O-N 3.37Å
221	F	92.1	Very high	92.6	Very high	70 Å²	70	55.3 Å²	55.3	31%	0.307	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	40.2	-174.8	-53.6	-72.5	0	0	0	113.6	L173 M182 F185 D217 L218	L173-F221 HydrophobicContact CD2-CE1 3.82Å; M182-F221 HydrophobicContact CE-CZ 3.96Å; F185-F221 HydrophobicContact CE1-CB 4.05Å; F185-F221 HydrophobicContact CE1-CD1 4.17Å; F185-F221 AromaticContact CZ-CD1 3.94Å; F185-F221 HydrophobicContact CZ-CD1 3.94Å; D217-F221 WeakPolarHBondContact O-CA 3.34Å; D217-F221 PolarHBondContact O-N 2.96Å; L218-F221 VanDerWaalsContact O-CE1 3.28Å; L218-F221 WeakPolarHBondContact O-CE1 3.2Å; L218-F221 VanDerWaalsContact O-CZ 3.3Å; L218-F221 WeakPolarHBondContact O-CZ 3.46Å
222	Q	90.4	Very high	92.3	Very high	127 Å²	127	48.9 Å²	48.9	59%	0.593	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	160.7	-178.4	-69.6	-177.5	-4.7	0	0	111.4	W216 D217 K220 V224	W216-Q222 WeakPolarHBondContact CA-O 3.43Å; D217-Q222 PolarHBondContact N-O 3.33Å; D217-Q222 PolarHBondContact O-N 3.25Å; K220-Q222 VanDerWaalsContact C-N 3.32Å; K220-Q222 HydrophobicContact CB-CG 4.44Å; K220-Q222 PolarHBondContact O-N 3.37Å; Q222-V224 PolarHBondContact O-N 2.88Å
223	V	93.4	Very high	92.2	Very high	74 Å²	74	51 Å²	51	45%	0.448	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.5	171.6	66.3	0	0	0	0	109.2	F215 W216	F215-V223 WeakPolarHBondContact O-CA 3.2Å; W216-V223 HydrophobicContact CE3-CB 4.01Å; W216-V223 HydrophobicContact CE3-CG2 4.48Å; W216-V223 HydrophobicContact CZ3-CB 3.83Å; W216-V223 HydrophobicContact CZ3-CG2 4.34Å
224	V	92	Very high	92	Very high	44 Å²	44	51 Å²	51	27%	0.267	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-53.5	173	173.6	0	0	0	0	109.1	L203 F215 D217 Q222 E260	L203-V224 HydrophobicContact CD1-CG2 3.91Å; F215-V224 HydrophobicContact CB-CB 4.14Å; F215-V224 PolarHBondContact O-N 3.04Å; D217-V224 HydrophobicContact CB-CG2 3.65Å; Q222-V224 PolarHBondContact O-N 2.88Å; V224-E260 HydrophobicContact CG1-CG 3.5Å; V224-E260 VanDerWaalsContact CG1-CG 3.5Å; V224-E260 WeakPolarHBondContact CG1-OE1 3.36Å
225	S	93.1	Very high	91.7	Very high	14 Å²	14	55 Å²	55	10%	0.098	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	166.4	-177	57.7	0	0	0	0	111.7	F215 W259 E262	F215-S225 WeakPolarHBondContact CD2-OG 3.39Å; F215-S225 PolarHBondContact N-O 3.44Å; S225-W259 WeakPolarHBondContact CB-O 3.37Å; S225-W259 PolarHBondContact OG-O 3.48Å; S225-E262 WeakPolarHBondContact CB-OE2 3.49Å
226	C	94.1	Very high	91.5	Very high	21 Å²	21	55.2 Å²	55.2	14%	0.142	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	105.8	-175	-179.3	0	0	0	0	110.1	I213 R214 E228 E262	I213-C226 CarbonylContact O-C 3.55Å; I213-C226 WeakPolarHBondContact O-CA 3.06Å; R214-C226 HydrophobicContact CG-CB 4.21Å; C226-E228 PolarHBondContact O-N 2.65Å; C226-E262 PolarHBondContact N-OE2 2.68Å
227	I	93.7	Very high	91.5	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118	173.2	-59.1	162.3	0	0	0	108.2	T212 I213 F215 Y257 E262	T212-I227 WeakPolarHBondContact CA-O 3.3Å; T212-I227 WeakPolarHBondContact CB-O 3.33Å; I213-I227 HydrophobicContact CB-CB 4.25Å; I213-I227 HydrophobicContact CB-CD1 4.29Å; I213-I227 PolarHBondContact N-O 2.95Å; I213-I227 PolarHBondContact O-N 3.13Å; F215-I227 HydrophobicContact CE2-CD1 3.56Å; F215-I227 HydrophobicContact CE2-CG1 4.17Å; F215-I227 HydrophobicContact CZ-CD1 4.13Å; I227-Y257 HydrophobicContact CD1-CD1 3.43Å; I227-Y257 VanDerWaalsContact CD1-CD1 3.43Å; I227-Y257 HydrophobicContact CD1-CD2 3.82Å; I227-Y257 HydrophobicContact CD1-CE1 3.94Å; I227-Y257 HydrophobicContact CD1-CE2 4.27Å; I227-Y257 HydrophobicContact CD1-CG 3.35Å; I227-Y257 HydrophobicContact CG1-CD1 4.26Å; I227-Y257 HydrophobicContact CG2-CD1 4.26Å; I227-Y257 HydrophobicContact CG2-CE1 3.68Å; I227-E262 HydrophobicContact CG1-CB 4.37Å
228	E	91.3	Very high	91.7	Very high	144 Å²	144	54.9 Å²	54.9	67%	0.673	29%	0.291	S	S	*	.			trans	-107.7	160	176	-60.4	-171.8	167	0	0	111.8	T212 C226	T212-E228 HydrophobicContact CG2-CG 4.17Å; C226-E228 PolarHBondContact O-N 2.65Å
229	G	81.7	Confident	91.8	Very high	70 Å²	70	55.1 Å²	55.1	72%	0.722	29%	0.291	S	S	*	.			trans	88.4	20.9	169.6	0	0	0	0	0	115.5
230	E	88	Confident	91.9	Very high	10 Å²	10	49 Å²	49	5%	0.047	26%	0.263	C	S	.	.			trans	-61	141.2	171.6	-77.6	-67.1	81.6	0	0	111.1	R211 G232 V234 C250 R255 Y257	R211-E230 HydrophobicContact CB-CB 4.13Å; R211-E230 WeakPolarHBondContact CB-O 3.41Å; R211-E230 VanDerWaalsContact CD-O 3.32Å; R211-E230 WeakPolarHBondContact CD-O 3.46Å; R211-E230 WeakPolarHBondContact O-CB 3.28Å; R211-E230 PolarHBondContact O-N 2.98Å; E230-G232 PolarHBondContact O-N 3.26Å; E230-V234 HydrophobicContact CB-CG2 4.49Å; E230-V234 HydrophobicContact CG-CG2 4.2Å; E230-C250 WeakPolarHBondContact OE2-CB 3.35Å; E230-R255 WeakPolarHBondContact OE1-CD 3.31Å; E230-R255 IonicContact OE1-CZ 3.46Å; E230-R255 IonicContact OE1-NE 3.5Å; E230-R255 PolarHBondContact OE1-NE 3.13Å; E230-R255 IonicContact OE1-NH1 3.57Å; E230-R255 PolarHBondContact OE1-NH1 3.4Å; E230-R255 IonicContact OE2-CZ 3.49Å; E230-R255 IonicContact OE2-NH1 2.92Å; E230-R255 PolarHBondContact OE2-NH1 2.95Å; E230-Y257 PolarHBondContact OE1-OH 3.26Å; E230-Y257 PolarHBondContact OE2-OH 3.5Å
231	P	88.1	Confident	92	Very high	55 Å²	55	45.9 Å²	45.9	36%	0.357	26%	0.257	S	S	.	.	S	Bend	trans	-68.1	-18.3	-176.5	27	-33.9	0	0	0	112.7	C250 Q251	P231-C250 VanDerWaalsContact CD-SG 3.6Å; P231-C250 VanDerWaalsContact CG-SG 3.57Å; P231-Q251 PolarHBondContact O-NE2 3.11Å
232	G	90.6	Very high	91.8	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	27%	0.27	C	S	.	.	S	Bend	trans	-151.9	177	179.2	0	0	0	0	0	113.6	E230 V234 C250	E230-G232 PolarHBondContact O-N 3.26Å; G232-V234 PolarHBondContact O-N 3.49Å; G232-C250 PolarHBondContact N-SG 2.93Å; G232-C250 VanDerWaalsContact N-SG 3.4Å
233	P	92.8	Very high	91.7	Very high	60 Å²	60	42 Å²	42	39%	0.39	25%	0.245	S	C	.	.			trans	-56.2	132.9	176.6	-27.4	36.9	0	0	0	111.7	R235	P233-R235 PolarHBondContact O-N 3.44Å
234	V	94.5	Very high	91.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.244	C	C	.	.			trans	-77	121.3	174.7	-175.3	0	0	0	0	108.1	N193 V194 S208 I213 E230 G232 V237	N193-V234 WeakPolarHBondContact CB-O 3.43Å; N193-V234 PolarHBondContact ND2-O 2.96Å; V194-V234 HydrophobicContact CG1-CG1 4.32Å; S208-V234 PolarHBondContact O-N 2.74Å; S208-V234 VanDerWaalsContact O-N 3.13Å; I213-V234 HydrophobicContact CD1-CG1 4.28Å; I213-V234 HydrophobicContact CD1-CG2 4.3Å; I213-V234 HydrophobicContact CG1-CB 4.48Å; I213-V234 HydrophobicContact CG1-CG1 4.11Å; I213-V234 HydrophobicContact CG1-CG2 3.77Å; E230-V234 HydrophobicContact CB-CG2 4.49Å; E230-V234 HydrophobicContact CG-CG2 4.2Å; G232-V234 PolarHBondContact O-N 3.49Å; V234-V237 HydrophobicContact CG1-CG1 3.68Å
235	R	90.8	Very high	91.5	Very high	131 Å²	131	39.4 Å²	39.4	49%	0.494	23%	0.232	S	C	.	.			trans	-112.8	-38.9	-174.5	-74.7	-174.4	156.5	-93.9	-7.5	113.5	P233	P233-R235 PolarHBondContact O-N 3.44Å
236	S	93.4	Very high	91.7	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.8	179.2	-170.7	0	0	0	0	108.9	G249 L278	S236-G249 PolarHBondContact O-N 3.38Å; S236-L278 WeakPolarHBondContact OG-CG 3.22Å
237	V	96.6	Very high	91.8	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.4	166.9	-63.2	0	0	0	0	108.3	V194 E196 I213 V234 L246 Y247	V194-V237 HydrophobicContact CB-CG2 4.43Å; V194-V237 HydrophobicContact CG1-CG1 4.13Å; V194-V237 HydrophobicContact CG1-CG2 3.81Å; V194-V237 HydrophobicContact CG2-CG2 3.76Å; E196-V237 HydrophobicContact CB-CG2 3.93Å; E196-V237 VanDerWaalsContact OE2-O 3.05Å; I213-V237 HydrophobicContact CD1-CG1 4.49Å; V234-V237 HydrophobicContact CG1-CG1 3.68Å; V237-L246 HydrophobicContact CB-CD1 4.13Å; V237-L246 HydrophobicContact CB-CD2 4.31Å; V237-L246 HydrophobicContact CB-CG 4.39Å; V237-L246 HydrophobicContact CG1-CD2 4.26Å; V237-Y247 CarbonylContact C-O 3.6Å; V237-Y247 VanDerWaalsContact CA-O 3.22Å; V237-Y247 WeakPolarHBondContact CA-O 3.48Å
238	L	96.5	Very high	91.8	Very high	21 Å²	21	37 Å²	37	11%	0.11	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	121.5	175.2	-177.2	68.6	0	0	0	109.6	E196 Y247 L278 I280	E196-L238 WeakPolarHBondContact OE1-CA 3.5Å; E196-L238 WeakPolarHBondContact OE1-CD1 3.44Å; E196-L238 WeakPolarHBondContact OE2-CA 3.14Å; E196-L238 PolarHBondContact OE2-N 2.85Å; L238-Y247 PolarHBondContact N-O 2.83Å; L238-Y247 WeakPolarHBondContact O-CB 3.24Å; L238-Y247 PolarHBondContact O-N 3.12Å; L238-L278 HydrophobicContact CB-CB 4Å; L238-L278 HydrophobicContact CB-CD1 4.2Å; L238-L278 HydrophobicContact CD2-CB 3.93Å; L238-I280 HydrophobicContact CD2-CD1 3.59Å; L238-I280 HydrophobicContact CD2-CG1 3.61Å; L238-I280 HydrophobicContact CG-CD1 4.25Å
239	F	96.1	Very high	91.7	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	139.4	168.6	-80.8	-76.6	0	0	0	110.3	E196 F197 H198 L203 A205 F215 L246 W259	E196-F239 HydrophobicContact CB-CD2 4.2Å; E196-F239 HydrophobicContact CB-CE2 4.31Å; E196-F239 VanDerWaalsContact CD-N 3.3Å; E196-F239 HydrophobicContact CG-CD2 3.93Å; E196-F239 WeakPolarHBondContact O-CE2 3Å; E196-F239 PolarHBondContact OE1-N 3.39Å; E196-F239 PolarHBondContact OE2-N 3.33Å; E196-F239 VanDerWaalsContact OE2-N 3.11Å; F197-F239 WeakPolarHBondContact O-CD2 3.36Å; H198-F239 HydrophobicContact CB-CD1 4.44Å; H198-F239 HydrophobicContact CB-CD2 4.35Å; H198-F239 HydrophobicContact CB-CE1 4.15Å; H198-F239 HydrophobicContact CB-CE2 4.05Å; H198-F239 HydrophobicContact CB-CZ 3.93Å; H198-F239 AromaticContact CD2-CD1 3.55Å; H198-F239 AromaticContact CD2-CE1 3.52Å; L203-F239 HydrophobicContact CD2-CE1 4.27Å; L203-F239 HydrophobicContact CD2-CZ 4.14Å; A205-F239 HydrophobicContact CB-CE2 3.65Å; A205-F239 HydrophobicContact CB-CZ 3.63Å; F215-F239 HydrophobicContact CD1-CZ 4.39Å; F215-F239 HydrophobicContact CE1-CE1 4.22Å; F215-F239 HydrophobicContact CE1-CZ 4.09Å; F239-L246 HydrophobicContact CB-CD1 4.45Å; F239-L246 HydrophobicContact CD1-CB 4.25Å; F239-L246 HydrophobicContact CD1-CD1 3.64Å; F239-L246 HydrophobicContact CD2-CD1 3.7Å; F239-L246 HydrophobicContact CE1-CB 4.19Å; F239-L246 HydrophobicContact CE1-CD1 3.71Å; F239-L246 HydrophobicContact CE2-CD1 3.78Å; F239-L246 HydrophobicContact CG-CD1 3.66Å; F239-L246 HydrophobicContact CZ-CD1 3.8Å; F239-W259 AromaticContact CD1-CH2 3.74Å; F239-W259 HydrophobicContact CD1-CH2 3.74Å; F239-W259 AromaticContact CD1-CZ3 3.73Å; F239-W259 HydrophobicContact CD1-CZ3 3.73Å; F239-W259 HydrophobicContact CE1-CD2 4.49Å; F239-W259 AromaticContact CE1-CE3 3.89Å; F239-W259 HydrophobicContact CE1-CE3 3.89Å; F239-W259 AromaticContact CE1-CH2 3.6Å; F239-W259 HydrophobicContact CE1-CH2 3.6Å; F239-W259 HydrophobicContact CE1-CZ2 4.24Å; F239-W259 AromaticContact CE1-CZ3 3.39Å; F239-W259 HydrophobicContact CE1-CZ3 3.39Å
240	N	93.3	Very high	91.7	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	15%	0.15	C	C	.	.			trans	-58.2	134.7	166.2	-178.9	23.7	0	0	0	108.9	D242 G243 C245 Y247	N240-D242 PolarHBondContact O-N 3.46Å; N240-D242 VanDerWaalsContact O-N 3.08Å; N240-G243 WeakPolarHBondContact O-CA 3.2Å; N240-G243 PolarHBondContact O-N 2.83Å; N240-C245 WeakPolarHBondContact CB-O 3.49Å; N240-C245 PolarHBondContact N-O 3.39Å; N240-Y247 HydrophobicContact CB-CE2 3.9Å
241	P	90.1	Very high	91.5	Very high	76 Å²	76	31.1 Å²	31.1	49%	0.494	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-31.5	176.7	-33.3	36	0	0	0	115.2	G243	P241-G243 PolarHBondContact O-N 3.18Å
242	D	87	Confident	91.6	Very high	108 Å²	108	31.6 Å²	31.6	58%	0.578	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.3	176.5	-56.7	-41	0	0	0	113.3	N200 N240	N200-D242 PolarHBondContact ND2-O 2.92Å; N240-D242 PolarHBondContact O-N 3.46Å; N240-D242 VanDerWaalsContact O-N 3.08Å
243	G	87.8	Confident	91.6	Very high	7 Å²	7	32 Å²	32	7%	0.072	17%	0.172	C	C	.	.	S	Bend	trans	78.6	15.2	-178.9	0	0	0	0	0	114.9	H198 N240 P241 W259	H198-G243 WeakPolarHBondContact NE2-CA 3.2Å; H198-G243 PolarHBondContact NE2-O 2.89Å; N240-G243 WeakPolarHBondContact O-CA 3.2Å; N240-G243 PolarHBondContact O-N 2.83Å; P241-G243 PolarHBondContact O-N 3.18Å; G243-W259 WeakPolarHBondContact O-CH2 3.23Å; G243-W259 WeakPolarHBondContact O-CZ2 3.37Å
244	C	88.6	Confident	91.7	Very high	63 Å²	63	29.1 Å²	29.1	43%	0.426	15%	0.154	S	C	.	.	S	Bend	trans	-83.9	-24.6	-176.4	-54.4	0	0	0	0	114.5	T308	C244-T308 HydrophobicContact CB-CG2 4.32Å
245	C	93.5	Very high	91.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.			trans	-157.4	162.4	-174.7	64.5	0	0	0	0	112.3	N240 V256 Y257 F265	N240-C245 WeakPolarHBondContact CB-O 3.49Å; N240-C245 PolarHBondContact N-O 3.39Å; C245-V256 HydrophobicContact CB-CG1 3.75Å; C245-Y257 CarbonylContact C-O 3.55Å; C245-Y257 VanDerWaalsContact CA-O 3.26Å; C245-Y257 WeakPolarHBondContact CA-O 3.47Å; C245-Y257 WeakPolarHBondContact CB-O 3.43Å; C245-F265 HydrophobicContact CB-CD2 4.35Å; C245-F265 HydrophobicContact CB-CE2 4.43Å
246	L	96.6	Very high	92	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.7	176.8	-175.2	78.3	0	0	0	108.7	A205 I213 F215 V237 F239 V256 Y257 W259	A205-L246 HydrophobicContact CB-CD1 4.19Å; A205-L246 HydrophobicContact CB-CD2 4.01Å; I213-L246 HydrophobicContact CG2-CD2 3.85Å; F215-L246 HydrophobicContact CE1-CB 4.32Å; F215-L246 HydrophobicContact CE1-CD2 3.78Å; F215-L246 HydrophobicContact CZ-CB 4.24Å; F215-L246 HydrophobicContact CZ-CD2 3.61Å; V237-L246 HydrophobicContact CB-CD1 4.13Å; V237-L246 HydrophobicContact CB-CD2 4.31Å; V237-L246 HydrophobicContact CB-CG 4.39Å; V237-L246 HydrophobicContact CG1-CD2 4.26Å; F239-L246 HydrophobicContact CB-CD1 4.45Å; F239-L246 HydrophobicContact CD1-CB 4.25Å; F239-L246 HydrophobicContact CD1-CD1 3.64Å; F239-L246 HydrophobicContact CD2-CD1 3.7Å; F239-L246 HydrophobicContact CE1-CB 4.19Å; F239-L246 HydrophobicContact CE1-CD1 3.71Å; F239-L246 HydrophobicContact CE2-CD1 3.78Å; F239-L246 HydrophobicContact CG-CD1 3.66Å; F239-L246 HydrophobicContact CZ-CD1 3.8Å; L246-V256 WeakPolarHBondContact O-CA 3.49Å; L246-Y257 PolarHBondContact N-O 3.35Å; L246-Y257 PolarHBondContact O-N 2.77Å; L246-W259 HydrophobicContact CB-CE3 4.32Å; L246-W259 HydrophobicContact CB-CZ3 4.02Å
247	Y	96.4	Very high	92.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.8	170.2	-65.5	-63.5	0	0	0	109.5	V237 L238 N240 L254 R255 V256 I280 L285 L302 R307	V237-Y247 CarbonylContact C-O 3.6Å; V237-Y247 VanDerWaalsContact CA-O 3.22Å; V237-Y247 WeakPolarHBondContact CA-O 3.48Å; L238-Y247 PolarHBondContact N-O 2.83Å; L238-Y247 WeakPolarHBondContact O-CB 3.24Å; L238-Y247 PolarHBondContact O-N 3.12Å; N240-Y247 HydrophobicContact CB-CE2 3.9Å; Y247-L254 HydrophobicContact CD1-CD1 3.98Å; Y247-L254 HydrophobicContact CD1-CD2 4.21Å; Y247-L254 HydrophobicContact CD1-CG 4.32Å; Y247-L254 HydrophobicContact CG-CD1 4.28Å; Y247-R255 CarbonylContact C-O 3.55Å; Y247-R255 WeakPolarHBondContact CA-O 3.34Å; Y247-V256 HydrophobicContact CD1-CG1 4.38Å; Y247-V256 HydrophobicContact CD1-CG2 3.86Å; Y247-V256 HydrophobicContact CE1-CB 4.49Å; Y247-V256 HydrophobicContact CE1-CG1 4.04Å; Y247-V256 HydrophobicContact CE1-CG2 3.75Å; Y247-I280 HydrophobicContact CD2-CD1 3.79Å; Y247-I280 HydrophobicContact CE2-CD1 3.58Å; Y247-L285 HydrophobicContact CD1-CD1 3.98Å; Y247-L285 HydrophobicContact CD2-CD1 3.9Å; Y247-L285 HydrophobicContact CE1-CD1 4.5Å; Y247-L285 HydrophobicContact CE2-CD1 4.42Å; Y247-L285 HydrophobicContact CG-CD1 3.65Å; Y247-L302 HydrophobicContact CE1-CD2 3.85Å; Y247-L302 HydrophobicContact CE2-CD1 4.45Å; Y247-R307 WeakPolarHBondContact OH-CD 3.42Å
248	S	94.8	Very high	91.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.7	173.1	179.6	0	0	0	0	110	I213 R255	I213-S248 WeakPolarHBondContact CD1-OG 3.35Å; S248-R255 PolarHBondContact N-O 3.37Å; S248-R255 PolarHBondContact O-N 3.25Å
249	G	88.6	Confident	91.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	104.1	171.1	0	0	0	0	0	110.6	S236	S236-G249 PolarHBondContact O-N 3.38Å
250	C	81.6	Confident	91.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.1	179.1	177.2	0	0	0	0	111.3	E230 P231 G232 D252 S253	E230-C250 WeakPolarHBondContact OE2-CB 3.35Å; P231-C250 VanDerWaalsContact CD-SG 3.6Å; P231-C250 VanDerWaalsContact CG-SG 3.57Å; G232-C250 PolarHBondContact N-SG 2.93Å; G232-C250 VanDerWaalsContact N-SG 3.4Å; C250-D252 PolarHBondContact O-N 3.29Å; C250-S253 PolarHBondContact N-O 3.29Å; C250-S253 VanDerWaalsContact N-O 3.08Å; C250-S253 PolarHBondContact O-N 3.41Å; C250-S253 VanDerWaalsContact O-N 3.09Å; C250-S253 VanDerWaalsContact O-O 3.13Å; C250-S253 PolarHBondContact O-OG 3.38Å; C250-S253 VanDerWaalsContact O-OG 3.08Å
251	Q	83.4	Confident	90.6	Very high	101 Å²	101	35.5 Å²	35.5	47%	0.472	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	-126.2	-174.2	-61.7	176.8	-9.5	0	0	109.3	P231 S253 W272 G273	P231-Q251 PolarHBondContact O-NE2 3.11Å; Q251-S253 VanDerWaalsContact C-N 3.34Å; Q251-S253 PolarHBondContact O-N 3.33Å; Q251-W272 PolarHBondContact O-NE1 3.23Å; Q251-G273 CarbonylContact C-O 3.57Å
252	D	89.7	Confident	90.4	Very high	64 Å²	64	36.8 Å²	36.8	34%	0.342	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.9	-175.6	-68.9	-50.8	0	0	0	115.3	C250 L269 V270 N271 G273	C250-D252 PolarHBondContact O-N 3.29Å; D252-L269 HydrophobicContact CB-CD1 4.16Å; D252-V270 PolarHBondContact O-N 3.1Å; D252-N271 PolarHBondContact O-N 3.12Å; D252-N271 WeakPolarHBondContact OD1-CA 3.42Å; D252-G273 VanDerWaalsContact OD1-CA 3.22Å; D252-G273 WeakPolarHBondContact OD1-CA 3.17Å; D252-G273 PolarHBondContact OD1-N 3.42Å
253	S	92.5	Very high	90.5	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.2	-176	57.7	0	0	0	0	113.4	C250 Q251 R255 V268	C250-S253 PolarHBondContact N-O 3.29Å; C250-S253 VanDerWaalsContact N-O 3.08Å; C250-S253 PolarHBondContact O-N 3.41Å; C250-S253 VanDerWaalsContact O-N 3.09Å; C250-S253 VanDerWaalsContact O-O 3.13Å; C250-S253 PolarHBondContact O-OG 3.38Å; C250-S253 VanDerWaalsContact O-OG 3.08Å; Q251-S253 VanDerWaalsContact C-N 3.34Å; Q251-S253 PolarHBondContact O-N 3.33Å; S253-R255 PolarHBondContact OG-NH1 3.34Å; S253-R255 PolarHBondContact OG-NH2 2.77Å; S253-V268 CarbonylContact C-O 3.54Å; S253-V268 VanDerWaalsContact CA-O 3.27Å; S253-V268 WeakPolarHBondContact CA-O 3.46Å
254	L	94.9	Very high	90.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.8	161.5	176.5	66.6	0	0	0	108.4	Y247 V267 V268 V270 W272 L285 V300	Y247-L254 HydrophobicContact CD1-CD1 3.98Å; Y247-L254 HydrophobicContact CD1-CD2 4.21Å; Y247-L254 HydrophobicContact CD1-CG 4.32Å; Y247-L254 HydrophobicContact CG-CD1 4.28Å; L254-V267 WeakPolarHBondContact O-CA 3.43Å; L254-V268 HydrophobicContact CB-CB 4.32Å; L254-V268 PolarHBondContact N-O 3.39Å; L254-V268 PolarHBondContact O-N 3.46Å; L254-V270 HydrophobicContact CB-CG2 4.14Å; L254-W272 HydrophobicContact CB-CH2 3.67Å; L254-W272 HydrophobicContact CB-CZ2 3.93Å; L254-W272 HydrophobicContact CD1-CH2 4.01Å; L254-W272 HydrophobicContact CG-CH2 4.32Å; L254-L285 HydrophobicContact CD1-CD1 3.9Å; L254-L285 HydrophobicContact CD1-CD2 4.42Å; L254-L285 HydrophobicContact CD2-CD1 3.94Å; L254-L285 HydrophobicContact CD2-CD2 4.17Å; L254-V300 HydrophobicContact CD2-CB 4.27Å; L254-V300 HydrophobicContact CD2-CG1 3.93Å; L254-V300 HydrophobicContact CD2-CG2 4.19Å
255	R	94.7	Very high	90.8	Very high	37 Å²	37	39.8 Å²	39.8	14%	0.14	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.3	171.7	-65.3	-164.7	175.8	75.4	17.3	111.3	E230 Y247 S248 S253 Y257 V267	E230-R255 WeakPolarHBondContact OE1-CD 3.31Å; E230-R255 IonicContact OE1-CZ 3.46Å; E230-R255 IonicContact OE1-NE 3.5Å; E230-R255 PolarHBondContact OE1-NE 3.13Å; E230-R255 IonicContact OE1-NH1 3.57Å; E230-R255 PolarHBondContact OE1-NH1 3.4Å; E230-R255 IonicContact OE2-CZ 3.49Å; E230-R255 IonicContact OE2-NH1 2.92Å; E230-R255 PolarHBondContact OE2-NH1 2.95Å; Y247-R255 CarbonylContact C-O 3.55Å; Y247-R255 WeakPolarHBondContact CA-O 3.34Å; S248-R255 PolarHBondContact N-O 3.37Å; S248-R255 PolarHBondContact O-N 3.25Å; S253-R255 PolarHBondContact OG-NH1 3.34Å; S253-R255 PolarHBondContact OG-NH2 2.77Å; R255-Y257 HydrophobicContact CB-CD2 4.33Å; R255-Y257 HydrophobicContact CB-CE2 3.59Å; R255-Y257 WeakPolarHBondContact CD-OH 3.5Å; R255-V267 HydrophobicContact CG-CG1 4.13Å; R255-V267 HydrophobicContact CG-CG2 4.05Å
256	V	95.6	Very high	90.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123	-179.5	-169.3	0	0	0	0	109.1	C245 L246 Y247 C264 F265 D266 V305	C245-V256 HydrophobicContact CB-CG1 3.75Å; L246-V256 WeakPolarHBondContact O-CA 3.49Å; Y247-V256 HydrophobicContact CD1-CG1 4.38Å; Y247-V256 HydrophobicContact CD1-CG2 3.86Å; Y247-V256 HydrophobicContact CE1-CB 4.49Å; Y247-V256 HydrophobicContact CE1-CG1 4.04Å; Y247-V256 HydrophobicContact CE1-CG2 3.75Å; V256-C264 CarbonylContact O-C 3.58Å; V256-C264 WeakPolarHBondContact O-CA 3.35Å; V256-F265 HydrophobicContact CB-CB 4.39Å; V256-F265 HydrophobicContact CG1-CB 4.32Å; V256-F265 HydrophobicContact CG1-CD2 4.29Å; V256-F265 PolarHBondContact O-N 3.24Å; V256-D266 HydrophobicContact CB-CB 4.19Å; V256-D266 HydrophobicContact CG2-CB 3.97Å; V256-D266 PolarHBondContact N-O 3.48Å; V256-V305 HydrophobicContact CG2-CG1 3.51Å
257	Y	94.8	Very high	90.7	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.4	-175.3	-63.3	-70.5	0	0	0	113.7	I213 I227 E230 C245 L246 R255 R263 C264	I213-Y257 HydrophobicContact CD1-CD2 4.04Å; I213-Y257 HydrophobicContact CD1-CE2 3.74Å; I227-Y257 HydrophobicContact CD1-CD1 3.43Å; I227-Y257 VanDerWaalsContact CD1-CD1 3.43Å; I227-Y257 HydrophobicContact CD1-CD2 3.82Å; I227-Y257 HydrophobicContact CD1-CE1 3.94Å; I227-Y257 HydrophobicContact CD1-CE2 4.27Å; I227-Y257 HydrophobicContact CD1-CG 3.35Å; I227-Y257 HydrophobicContact CG1-CD1 4.26Å; I227-Y257 HydrophobicContact CG2-CD1 4.26Å; I227-Y257 HydrophobicContact CG2-CE1 3.68Å; E230-Y257 PolarHBondContact OE1-OH 3.26Å; E230-Y257 PolarHBondContact OE2-OH 3.5Å; C245-Y257 CarbonylContact C-O 3.55Å; C245-Y257 VanDerWaalsContact CA-O 3.26Å; C245-Y257 WeakPolarHBondContact CA-O 3.47Å; C245-Y257 WeakPolarHBondContact CB-O 3.43Å; L246-Y257 PolarHBondContact N-O 3.35Å; L246-Y257 PolarHBondContact O-N 2.77Å; R255-Y257 HydrophobicContact CB-CD2 4.33Å; R255-Y257 HydrophobicContact CB-CE2 3.59Å; R255-Y257 WeakPolarHBondContact CD-OH 3.5Å; Y257-R263 CarbonylContact C-O 3.48Å; Y257-R263 VanDerWaalsContact CA-O 3.26Å; Y257-R263 WeakPolarHBondContact CA-O 3.35Å; Y257-C264 HydrophobicContact CD1-CB 3.93Å; Y257-C264 HydrophobicContact CE1-CB 3.73Å
258	G	92.2	Very high	90.6	Very high	5 Å²	5	45.8 Å²	45.8	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	153.7	155.2	0	0	0	0	0	110.3	E262 R263 F265	G258-E262 WeakPolarHBondContact O-CA 3.34Å; G258-R263 PolarHBondContact N-O 3.42Å; G258-R263 PolarHBondContact O-N 2.86Å; G258-F265 VanDerWaalsContact CA-CE2 3.5Å; G258-F265 VanDerWaalsContact N-CE2 3.32Å
259	W	91.1	Very high	90.5	Very high	17 Å²	17	51.1 Å²	51.1	6%	0.064	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-16.1	-177.8	46.4	90.8	0	0	0	114	H198 L203 F215 S225 F239 G243 L246	H198-W259 AromaticContact CD2-CH2 3.58Å; H198-W259 AromaticContact CD2-CZ2 3.38Å; H198-W259 WeakPolarHBondContact CD2-CZ2 3.28Å; H198-W259 AromaticContact NE2-CH2 3.7Å; H198-W259 AromaticContact NE2-CZ2 3.39Å; H198-W259 WeakPolarHBondContact NE2-CZ2 3.42Å; L203-W259 VanDerWaalsContact CD2-CD1 3.45Å; L203-W259 HydrophobicContact CD2-CD2 3.75Å; L203-W259 HydrophobicContact CD2-CG 3.72Å; L203-W259 HydrophobicContact CD2-CZ2 4.22Å; F215-W259 HydrophobicContact CB-CB 4.21Å; F215-W259 HydrophobicContact CD1-CB 3.64Å; F215-W259 HydrophobicContact CD1-CD2 4.39Å; F215-W259 HydrophobicContact CD1-CE3 4.42Å; F215-W259 HydrophobicContact CD1-CG 4.09Å; F215-W259 HydrophobicContact CD2-CB 3.57Å; F215-W259 HydrophobicContact CE1-CB 3.77Å; F215-W259 HydrophobicContact CE1-CD2 4.12Å; F215-W259 AromaticContact CE1-CE3 3.72Å; F215-W259 HydrophobicContact CE1-CE3 3.72Å; F215-W259 HydrophobicContact CE1-CG 4.18Å; F215-W259 HydrophobicContact CE2-CB 3.7Å; F215-W259 HydrophobicContact CG-CB 3.53Å; F215-W259 HydrophobicContact CG-CG 4.38Å; F215-W259 HydrophobicContact CZ-CB 3.8Å; F215-W259 HydrophobicContact CZ-CE3 4.05Å; S225-W259 WeakPolarHBondContact CB-O 3.37Å; S225-W259 PolarHBondContact OG-O 3.48Å; F239-W259 AromaticContact CD1-CH2 3.74Å; F239-W259 HydrophobicContact CD1-CH2 3.74Å; F239-W259 AromaticContact CD1-CZ3 3.73Å; F239-W259 HydrophobicContact CD1-CZ3 3.73Å; F239-W259 HydrophobicContact CE1-CD2 4.49Å; F239-W259 AromaticContact CE1-CE3 3.89Å; F239-W259 HydrophobicContact CE1-CE3 3.89Å; F239-W259 AromaticContact CE1-CH2 3.6Å; F239-W259 HydrophobicContact CE1-CH2 3.6Å; F239-W259 HydrophobicContact CE1-CZ2 4.24Å; F239-W259 AromaticContact CE1-CZ3 3.39Å; F239-W259 HydrophobicContact CE1-CZ3 3.39Å; G243-W259 WeakPolarHBondContact O-CH2 3.23Å; G243-W259 WeakPolarHBondContact O-CZ2 3.37Å; L246-W259 HydrophobicContact CB-CE3 4.32Å; L246-W259 HydrophobicContact CB-CZ3 4.02Å
260	E	85.4	Confident	90.8	Very high	141 Å²	141	51.5 Å²	51.5	66%	0.659	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	96.1	178.1	-75.7	-172.9	176.9	0	0	111.8	V224	V224-E260 HydrophobicContact CG1-CG 3.5Å; V224-E260 VanDerWaalsContact CG1-CG 3.5Å; V224-E260 WeakPolarHBondContact CG1-OE1 3.36Å
261	P	83.6	Confident	91.3	Very high	109 Å²	109	56 Å²	56	71%	0.708	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	cis	-70.3	163.1	-12.3	32.3	-35.5	0	0	0	112	R263	P261-R263 PolarHBondContact O-N 3.15Å
262	E	86.1	Confident	91.7	Very high	102 Å²	102	51.6 Å²	51.6	48%	0.477	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	120.4	172.7	61.4	-171.3	-164.4	0	0	111.1	S225 C226 I227 G258	S225-E262 WeakPolarHBondContact CB-OE2 3.49Å; C226-E262 PolarHBondContact N-OE2 2.68Å; I227-E262 HydrophobicContact CG1-CB 4.37Å; G258-E262 WeakPolarHBondContact O-CA 3.34Å
263	R	88.6	Confident	91.7	Very high	138 Å²	138	49.9 Å²	49.9	52%	0.521	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	136.8	-178.6	-170.8	171.7	-177.4	-175.3	1.9	111.1	Y257 G258 P261 F265	Y257-R263 CarbonylContact C-O 3.48Å; Y257-R263 VanDerWaalsContact CA-O 3.26Å; Y257-R263 WeakPolarHBondContact CA-O 3.35Å; G258-R263 PolarHBondContact N-O 3.42Å; G258-R263 PolarHBondContact O-N 2.86Å; P261-R263 PolarHBondContact O-N 3.15Å; R263-F265 HydrophobicContact CB-CE1 4.24Å; R263-F265 HydrophobicContact CG-CD1 4.27Å; R263-F265 HydrophobicContact CG-CE1 4.27Å
264	C	91.8	Very high	91.5	Very high	54 Å²	54	56.5 Å²	56.5	37%	0.365	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117	163.5	-166.7	0	0	0	0	109	V256 Y257 D266	V256-C264 CarbonylContact O-C 3.58Å; V256-C264 WeakPolarHBondContact O-CA 3.35Å; Y257-C264 HydrophobicContact CD1-CB 3.93Å; Y257-C264 HydrophobicContact CE1-CB 3.73Å; C264-D266 PolarHBondContact SG-O 2.89Å
265	F	91.4	Very high	91.4	Very high	49 Å²	49	56.7 Å²	56.7	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-36.5	176.6	-63.2	-48.8	0	0	0	112.3	C245 V256 G258 R263 T306 R307	C245-F265 HydrophobicContact CB-CD2 4.35Å; C245-F265 HydrophobicContact CB-CE2 4.43Å; V256-F265 HydrophobicContact CB-CB 4.39Å; V256-F265 HydrophobicContact CG1-CB 4.32Å; V256-F265 HydrophobicContact CG1-CD2 4.29Å; V256-F265 PolarHBondContact O-N 3.24Å; G258-F265 VanDerWaalsContact CA-CE2 3.5Å; G258-F265 VanDerWaalsContact N-CE2 3.32Å; R263-F265 HydrophobicContact CB-CE1 4.24Å; R263-F265 HydrophobicContact CG-CD1 4.27Å; R263-F265 HydrophobicContact CG-CE1 4.27Å; F265-T306 WeakPolarHBondContact CB-O 3.26Å; F265-R307 WeakPolarHBondContact CD2-O 3.37Å; F265-R307 WeakPolarHBondContact CE2-O 2.95Å
266	D	93.2	Very high	91.3	Very high	40 Å²	40	56.5 Å²	56.5	21%	0.214	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	155.7	-175.9	-152.1	-13	0	0	0	112.2	V256 C264 V305 T306	V256-D266 HydrophobicContact CB-CB 4.19Å; V256-D266 HydrophobicContact CG2-CB 3.97Å; V256-D266 PolarHBondContact N-O 3.48Å; C264-D266 PolarHBondContact SG-O 2.89Å; D266-V305 HydrophobicContact CB-CG1 4.21Å; D266-T306 PolarHBondContact OD2-N 3.12Å
267	V	93.7	Very high	91.3	Very high	75 Å²	75	57 Å²	57	46%	0.455	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	110.5	174.7	-176.3	0	0	0	0	108.8	L254 R255	L254-V267 WeakPolarHBondContact O-CA 3.43Å; R255-V267 HydrophobicContact CG-CG1 4.13Å; R255-V267 HydrophobicContact CG-CG2 4.05Å
268	V	94	Very high	91.3	Very high	12 Å²	12	56.8 Å²	56.8	7%	0.073	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.8	178.9	-173.9	0	0	0	0	109.4	A10 S253 L254 V270 V300 V305	A10-V268 HydrophobicContact CB-CG1 4.04Å; S253-V268 CarbonylContact C-O 3.54Å; S253-V268 VanDerWaalsContact CA-O 3.27Å; S253-V268 WeakPolarHBondContact CA-O 3.46Å; L254-V268 HydrophobicContact CB-CB 4.32Å; L254-V268 PolarHBondContact N-O 3.39Å; L254-V268 PolarHBondContact O-N 3.46Å; V268-V270 HydrophobicContact CG1-CG2 4.32Å; V268-V300 HydrophobicContact CG1-CG1 4.14Å; V268-V305 HydrophobicContact CG2-CG1 4.34Å; V268-V305 HydrophobicContact CG2-CG2 3.78Å
269	L	93.8	Very high	91.4	Very high	112 Å²	112	56.6 Å²	56.6	59%	0.586	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.6	173.8	-173.2	69.1	0	0	0	110.1	D252 N271	D252-L269 HydrophobicContact CB-CD1 4.16Å; L269-N271 WeakPolarHBondContact CD1-OD1 3.5Å; L269-N271 WeakPolarHBondContact CG-OD1 3.38Å
270	V	93.9	Very high	91.6	Very high	9 Å²	9	57.4 Å²	57.4	6%	0.055	30%	0.302	C	S	.	.			trans	-116.1	-27.4	-176	-170.6	0	0	0	0	112.7	A10 D252 L254 V268 W272 Y298 V300	A10-V270 HydrophobicContact CB-CB 4.39Å; A10-V270 HydrophobicContact CB-CG1 4.2Å; A10-V270 HydrophobicContact CB-CG2 3.99Å; D252-V270 PolarHBondContact O-N 3.1Å; L254-V270 HydrophobicContact CB-CG2 4.14Å; V268-V270 HydrophobicContact CG1-CG2 4.32Å; V270-W272 HydrophobicContact CB-CD2 3.81Å; V270-W272 HydrophobicContact CB-CE3 3.76Å; V270-W272 HydrophobicContact CB-CG 4.26Å; V270-W272 HydrophobicContact CB-CZ3 4.14Å; V270-W272 HydrophobicContact CG1-CB 4.3Å; V270-W272 HydrophobicContact CG1-CD2 3.77Å; V270-W272 HydrophobicContact CG1-CE3 3.32Å; V270-W272 HydrophobicContact CG1-CG 4.22Å; V270-W272 HydrophobicContact CG1-CZ3 3.86Å; V270-W272 HydrophobicContact CG2-CD2 4.37Å; V270-W272 HydrophobicContact CG2-CE3 4.09Å; V270-W272 HydrophobicContact CG2-CH2 4.07Å; V270-W272 HydrophobicContact CG2-CZ2 4.33Å; V270-W272 HydrophobicContact CG2-CZ3 3.93Å; V270-Y298 HydrophobicContact CG1-CD1 3.78Å; V270-Y298 HydrophobicContact CG1-CG 4.01Å; V270-V300 HydrophobicContact CG1-CG2 4.31Å; V270-V300 HydrophobicContact CG2-CG2 3.69Å
271	N	92.4	Very high	91.8	Very high	95 Å²	95	51.5 Å²	51.5	51%	0.508	28%	0.276	S	S	.	.			trans	60.5	40	-177.7	-53.6	-45.3	0	0	0	113.8	D252 L269 Y298	D252-N271 PolarHBondContact O-N 3.12Å; D252-N271 WeakPolarHBondContact OD1-CA 3.42Å; L269-N271 WeakPolarHBondContact CD1-OD1 3.5Å; L269-N271 WeakPolarHBondContact CG-OD1 3.38Å; N271-Y298 PolarHBondContact O-OH 3.01Å
272	W	92.7	Very high	92	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.027	26%	0.255	C	S	.	.			trans	-89.9	-2.2	178.4	56.1	27.7	0	0	0	114.8	Q251 L254 V270 K274 V275 L278 L285 A289 Y298 V300	Q251-W272 PolarHBondContact O-NE1 3.23Å; L254-W272 HydrophobicContact CB-CH2 3.67Å; L254-W272 HydrophobicContact CB-CZ2 3.93Å; L254-W272 HydrophobicContact CD1-CH2 4.01Å; L254-W272 HydrophobicContact CG-CH2 4.32Å; V270-W272 HydrophobicContact CB-CD2 3.81Å; V270-W272 HydrophobicContact CB-CE3 3.76Å; V270-W272 HydrophobicContact CB-CG 4.26Å; V270-W272 HydrophobicContact CB-CZ3 4.14Å; V270-W272 HydrophobicContact CG1-CB 4.3Å; V270-W272 HydrophobicContact CG1-CD2 3.77Å; V270-W272 HydrophobicContact CG1-CE3 3.32Å; V270-W272 HydrophobicContact CG1-CG 4.22Å; V270-W272 HydrophobicContact CG1-CZ3 3.86Å; V270-W272 HydrophobicContact CG2-CD2 4.37Å; V270-W272 HydrophobicContact CG2-CE3 4.09Å; V270-W272 HydrophobicContact CG2-CH2 4.07Å; V270-W272 HydrophobicContact CG2-CZ2 4.33Å; V270-W272 HydrophobicContact CG2-CZ3 3.93Å; W272-K274 PolarHBondContact O-N 3.37Å; W272-V275 HydrophobicContact CD2-CB 4.15Å; W272-V275 HydrophobicContact CD2-CG2 4.36Å; W272-V275 HydrophobicContact CG-CB 4.23Å; W272-V275 HydrophobicContact CZ2-CB 4.48Å; W272-V275 HydrophobicContact CZ2-CG1 4.29Å; W272-L278 HydrophobicContact CH2-CD2 3.94Å; W272-L278 HydrophobicContact CZ3-CD2 4.15Å; W272-L285 HydrophobicContact CH2-CD2 4.21Å; W272-L285 HydrophobicContact CZ3-CD2 4.05Å; W272-A289 HydrophobicContact CB-CB 4.47Å; W272-A289 WeakPolarHBondContact O-CB 3.04Å; W272-Y298 VanDerWaalsContact CA-CZ 3.47Å; W272-Y298 HydrophobicContact CB-CD1 4.09Å; W272-Y298 HydrophobicContact CB-CD2 3.43Å; W272-Y298 VanDerWaalsContact CB-CD2 3.43Å; W272-Y298 HydrophobicContact CB-CE1 4.08Å; W272-Y298 HydrophobicContact CB-CE2 3.45Å; W272-Y298 VanDerWaalsContact CB-CE2 3.45Å; W272-Y298 HydrophobicContact CB-CG 3.78Å; W272-Y298 HydrophobicContact CE3-CG 4.48Å; W272-V300 HydrophobicContact CZ3-CG2 4.23Å
273	G	89.3	Confident	92.2	Very high	29 Å²	29	47.6 Å²	47.6	30%	0.299	25%	0.253	S	S	.	.	S	Bend	trans	65.8	-117.4	-176.8	0	0	0	0	0	113.2	Q251 D252 V275	Q251-G273 CarbonylContact C-O 3.57Å; D252-G273 VanDerWaalsContact OD1-CA 3.22Å; D252-G273 WeakPolarHBondContact OD1-CA 3.17Å; D252-G273 PolarHBondContact OD1-N 3.42Å; G273-V275 PolarHBondContact O-N 2.64Å
274	K	87.4	Confident	92.4	Very high	149 Å²	149	41.7 Å²	41.7	65%	0.648	23%	0.232	S	C	*	.	S	Bend	trans	-95.6	86.4	-178.2	-67.2	178	-175.2	171.5	0	110.1	W272 A276 A289	W272-K274 PolarHBondContact O-N 3.37Å; K274-A276 PolarHBondContact O-N 3.48Å; K274-A289 WeakPolarHBondContact O-CB 3.39Å
275	V	93.1	Very high	92.6	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132	173.3	64.6	0	0	0	0	110.7	W272 G273 L278	W272-V275 HydrophobicContact CD2-CB 4.15Å; W272-V275 HydrophobicContact CD2-CG2 4.36Å; W272-V275 HydrophobicContact CG-CB 4.23Å; W272-V275 HydrophobicContact CZ2-CB 4.48Å; W272-V275 HydrophobicContact CZ2-CG1 4.29Å; G273-V275 PolarHBondContact O-N 2.64Å; V275-L278 HydrophobicContact CG2-CD2 3.63Å; V275-L278 HydrophobicContact CG2-CG 4.17Å
276	A	93.1	Very high	92.8	Very high	33 Å²	33	36.9 Å²	36.9	27%	0.273	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-33.2	-175.1	0	0	0	0	0	112.2	L26 K274 V288 F290	L26-A276 HydrophobicContact CD1-CB 3.59Å; L26-A276 HydrophobicContact CD2-CB 4.14Å; L26-A276 HydrophobicContact CG-CB 3.82Å; K274-A276 PolarHBondContact O-N 3.48Å; A276-V288 PolarHBondContact N-O 3.28Å; A276-F290 HydrophobicContact CB-CD1 3.72Å; A276-F290 HydrophobicContact CB-CE1 3.57Å
277	D	95.1	Very high	92.9	Very high	12 Å²	12	35 Å²	35	6%	0.064	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.6	174.9	-162.6	22.7	0	0	0	111.6	L26 L28 K30 V288	L26-D277 HydrophobicContact CD1-CB 3.72Å; L28-D277 PolarHBondContact N-OD2 3.46Å; K30-D277 IonicContact NZ-OD1 2.68Å; K30-D277 PolarHBondContact NZ-OD1 3.41Å; K30-D277 IonicContact NZ-OD2 2.81Å; K30-D277 PolarHBondContact NZ-OD2 3.45Å; D277-V288 HydrophobicContact CB-CG2 3.93Å; D277-V288 PolarHBondContact N-O 3.06Å; D277-V288 WeakPolarHBondContact O-CG2 3.26Å; D277-V288 PolarHBondContact O-N 2.73Å
278	L	95.6	Very high	93	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.1	-176.6	-65.1	174.3	0	0	0	110.2	K30 S236 L238 W272 V275 L285 I286	K30-L278 PolarHBondContact NZ-O 3.45Å; S236-L278 WeakPolarHBondContact OG-CG 3.22Å; L238-L278 HydrophobicContact CB-CB 4Å; L238-L278 HydrophobicContact CB-CD1 4.2Å; L238-L278 HydrophobicContact CD2-CB 3.93Å; W272-L278 HydrophobicContact CH2-CD2 3.94Å; W272-L278 HydrophobicContact CZ3-CD2 4.15Å; V275-L278 HydrophobicContact CG2-CD2 3.63Å; V275-L278 HydrophobicContact CG2-CG 4.17Å; L278-L285 HydrophobicContact CD2-CD2 3.87Å; L278-I286 CarbonylContact C-O 3.58Å; L278-I286 WeakPolarHBondContact CA-O 3.44Å
279	A	95	Very high	93.1	Very high	1 Å²	1	31 Å²	31	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157	171.5	0	0	0	0	0	110.9	L28 K30 L285 I286	L28-A279 HydrophobicContact CB-CB 3.84Å; L28-A279 HydrophobicContact CD1-CB 3.81Å; L28-A279 HydrophobicContact CG-CB 4.47Å; K30-A279 HydrophobicContact CD-CB 4.04Å; A279-L285 CarbonylContact O-C 3.55Å; A279-L285 WeakPolarHBondContact O-CA 3.26Å; A279-I286 PolarHBondContact N-O 2.84Å; A279-I286 PolarHBondContact O-N 2.97Å
280	I	93.9	Very high	93.1	Very high	34 Å²	34	28.7 Å²	28.7	17%	0.174	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.3	177.5	-67	162.3	0	0	0	108.9	L238 Y247 Q284 L285 L302	L238-I280 HydrophobicContact CD2-CD1 3.59Å; L238-I280 HydrophobicContact CD2-CG1 3.61Å; L238-I280 HydrophobicContact CG-CD1 4.25Å; Y247-I280 HydrophobicContact CD2-CD1 3.79Å; Y247-I280 HydrophobicContact CE2-CD1 3.58Å; I280-Q284 CarbonylContact C-O 3.55Å; I280-Q284 WeakPolarHBondContact CA-O 3.08Å; I280-L285 HydrophobicContact CG1-CB 4.24Å; I280-L285 HydrophobicContact CG1-CD1 4.41Å; I280-L285 HydrophobicContact CG1-CG 4.41Å; I280-L302 HydrophobicContact CD1-CD1 4.28Å; I280-L302 HydrophobicContact CG1-CD1 4.09Å; I280-L302 HydrophobicContact CG2-CD1 3.94Å
281	C	90.8	Very high	93	Very high	17 Å²	17	32.2 Å²	32.2	12%	0.115	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	128.2	175.9	-176.9	0	0	0	0	109.7	S32 D283 Q284 I286	S32-C281 PolarHBondContact O-SG 3.47Å; C281-D283 PolarHBondContact O-N 3.32Å; C281-Q284 PolarHBondContact N-O 3.18Å; C281-Q284 WeakPolarHBondContact O-CB 3.37Å; C281-Q284 PolarHBondContact O-N 3.38Å; C281-I286 HydrophobicContact CB-CD1 4.3Å
282	N	87.3	Confident	93.1	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.251	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	51.9	179.5	-52.9	-53	0	0	0	115	Q284 S400 P402	N282-Q284 PolarHBondContact O-N 3.35Å; N282-S400 PolarHBondContact ND2-O 3.21Å; N282-S400 PolarHBondContact ND2-OG 3.2Å; N282-S400 VanDerWaalsContact ND2-OG 3.09Å; N282-P402 HydrophobicContact CB-CG 4.07Å
283	D	89.8	Confident	93.2	Very high	83 Å²	83	35.3 Å²	35.3	44%	0.444	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	20	-176.4	-71.1	-66.4	0	0	0	114.4	C281 L302 T303 R307	C281-D283 PolarHBondContact O-N 3.32Å; D283-L302 WeakPolarHBondContact O-CA 3.45Å; D283-L302 WeakPolarHBondContact O-CB 3.47Å; D283-L302 PolarHBondContact O-N 2.94Å; D283-T303 HydrophobicContact CB-CG2 3.87Å; D283-R307 IonicContact OD1-CZ 2.63Å; D283-R307 IonicContact OD1-NH1 2.89Å; D283-R307 PolarHBondContact OD1-NH1 2.9Å; D283-R307 IonicContact OD1-NH2 3.86Å; D283-R307 PolarHBondContact OD1-NH2 3.37Å
284	Q	93.6	Very high	93.4	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.065	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.7	170.3	-65.6	-176	-25.9	0	0	109.4	I280 C281 N282 V299 V300 F403	I280-Q284 CarbonylContact C-O 3.55Å; I280-Q284 WeakPolarHBondContact CA-O 3.08Å; C281-Q284 PolarHBondContact N-O 3.18Å; C281-Q284 WeakPolarHBondContact O-CB 3.37Å; C281-Q284 PolarHBondContact O-N 3.38Å; N282-Q284 PolarHBondContact O-N 3.35Å; Q284-V299 HydrophobicContact CB-CG1 3.93Å; Q284-V299 HydrophobicContact CG-CG1 4.1Å; Q284-V300 CarbonylContact C-O 3.57Å; Q284-V300 WeakPolarHBondContact CA-O 3.44Å; Q284-F403 PolarHBondContact NE2-O 2.83Å
285	L	95.6	Very high	93.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.6	169.3	176.9	154.2	0	0	0	108.5	Y247 L254 W272 L278 A279 I280 V299 V300 L302	Y247-L285 HydrophobicContact CD1-CD1 3.98Å; Y247-L285 HydrophobicContact CD2-CD1 3.9Å; Y247-L285 HydrophobicContact CE1-CD1 4.5Å; Y247-L285 HydrophobicContact CE2-CD1 4.42Å; Y247-L285 HydrophobicContact CG-CD1 3.65Å; L254-L285 HydrophobicContact CD1-CD1 3.9Å; L254-L285 HydrophobicContact CD1-CD2 4.42Å; L254-L285 HydrophobicContact CD2-CD1 3.94Å; L254-L285 HydrophobicContact CD2-CD2 4.17Å; W272-L285 HydrophobicContact CH2-CD2 4.21Å; W272-L285 HydrophobicContact CZ3-CD2 4.05Å; L278-L285 HydrophobicContact CD2-CD2 3.87Å; A279-L285 CarbonylContact O-C 3.55Å; A279-L285 WeakPolarHBondContact O-CA 3.26Å; I280-L285 HydrophobicContact CG1-CB 4.24Å; I280-L285 HydrophobicContact CG1-CD1 4.41Å; I280-L285 HydrophobicContact CG1-CG 4.41Å; L285-V299 CarbonylContact O-C 3.52Å; L285-V299 WeakPolarHBondContact O-CA 3.39Å; L285-V300 HydrophobicContact CB-CB 4.33Å; L285-V300 HydrophobicContact CD2-CB 4.35Å; L285-V300 HydrophobicContact CD2-CG2 4.15Å; L285-V300 PolarHBondContact N-O 3.09Å; L285-V300 PolarHBondContact O-N 3.3Å; L285-L302 HydrophobicContact CB-CD1 4Å; L285-L302 HydrophobicContact CB-CD2 3.65Å; L285-L302 HydrophobicContact CB-CG 3.84Å; L285-L302 HydrophobicContact CD1-CD2 4.31Å
286	I	96.1	Very high	94	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.5	-178.2	-56.8	165	0	0	0	106.5	L28 G33 I50 L278 A279 C281 Y298 V299 F403	L28-I286 HydrophobicContact CD1-CB 4.33Å; L28-I286 HydrophobicContact CD1-CG2 4.02Å; L28-I286 WeakPolarHBondContact CD1-O 3.48Å; G33-I286 WeakPolarHBondContact O-CD1 3.24Å; I50-I286 HydrophobicContact CD1-CG2 4.02Å; L278-I286 CarbonylContact C-O 3.58Å; L278-I286 WeakPolarHBondContact CA-O 3.44Å; A279-I286 PolarHBondContact N-O 2.84Å; A279-I286 PolarHBondContact O-N 2.97Å; C281-I286 HydrophobicContact CB-CD1 4.3Å; I286-Y298 CarbonylContact C-O 3.58Å; I286-Y298 VanDerWaalsContact CA-O 3.3Å; I286-Y298 WeakPolarHBondContact CA-O 3.31Å; I286-V299 HydrophobicContact CG1-CG2 4.49Å; I286-F403 HydrophobicContact CD1-CD2 4.4Å; I286-F403 HydrophobicContact CD1-CE2 3.78Å; I286-F403 HydrophobicContact CG1-CE2 4.43Å
287	G	95.8	Very high	94.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.9	175.8	0	0	0	0	0	110.4	S297 Y298	G287-S297 WeakPolarHBondContact O-CA 3.22Å; G287-Y298 PolarHBondContact N-O 3.28Å; G287-Y298 PolarHBondContact O-N 3.45Å
288	V	95.6	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137	174.5	-75.1	0	0	0	0	110.8	L26 L28 L36 A276 D277 S296	L26-V288 HydrophobicContact CD1-CB 4.23Å; L26-V288 HydrophobicContact CD1-CG2 3.37Å; L26-V288 HydrophobicContact CD2-CB 4.29Å; L26-V288 HydrophobicContact CD2-CG2 4.3Å; L26-V288 HydrophobicContact CG-CG2 4.49Å; L28-V288 HydrophobicContact CD1-CB 4.44Å; L28-V288 HydrophobicContact CD1-CG1 4.07Å; L28-V288 HydrophobicContact CD1-CG2 3.66Å; L28-V288 HydrophobicContact CD2-CG1 3.74Å; L28-V288 HydrophobicContact CD2-CG2 4.15Å; L28-V288 HydrophobicContact CG-CB 4.47Å; L28-V288 HydrophobicContact CG-CG1 4.06Å; L28-V288 HydrophobicContact CG-CG2 3.56Å; L36-V288 HydrophobicContact CD1-CG1 4.31Å; A276-V288 PolarHBondContact N-O 3.28Å; D277-V288 HydrophobicContact CB-CG2 3.93Å; D277-V288 PolarHBondContact N-O 3.06Å; D277-V288 WeakPolarHBondContact O-CG2 3.26Å; D277-V288 PolarHBondContact O-N 2.73Å; V288-S296 WeakPolarHBondContact CA-O 3.43Å
289	A	95	Very high	94.2	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.5	177.9	0	0	0	0	0	109	W272 K274 V295 S296	W272-A289 HydrophobicContact CB-CB 4.47Å; W272-A289 WeakPolarHBondContact O-CB 3.04Å; K274-A289 WeakPolarHBondContact O-CB 3.39Å; A289-V295 WeakPolarHBondContact O-CA 3.28Å; A289-S296 PolarHBondContact N-O 3.09Å; A289-S296 PolarHBondContact O-N 3.18Å
290	F	94.1	Very high	94.2	Very high	63 Å²	63	28.9 Å²	28.9	28%	0.276	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.4	175.2	66.9	-87	0	0	0	111.3	V23 L26 A276 N294 V295	V23-F290 HydrophobicContact CB-CB 4.24Å; V23-F290 HydrophobicContact CB-CD2 3.88Å; V23-F290 HydrophobicContact CB-CG 4.21Å; V23-F290 HydrophobicContact CG1-CB 4.22Å; V23-F290 HydrophobicContact CG1-CD2 4.12Å; V23-F290 HydrophobicContact CG1-CG 4.08Å; V23-F290 WeakPolarHBondContact O-CD2 3.45Å; V23-F290 WeakPolarHBondContact O-CE2 3.35Å; L26-F290 HydrophobicContact CD2-CB 3.94Å; L26-F290 HydrophobicContact CD2-CD1 3.45Å; L26-F290 VanDerWaalsContact CD2-CD1 3.45Å; L26-F290 HydrophobicContact CD2-CE1 4.35Å; L26-F290 HydrophobicContact CD2-CG 4.1Å; L26-F290 HydrophobicContact CG-CD1 3.85Å; L26-F290 HydrophobicContact CG-CE1 4.29Å; A276-F290 HydrophobicContact CB-CD1 3.72Å; A276-F290 HydrophobicContact CB-CE1 3.57Å; F290-N294 CarbonylContact C-O 3.56Å; F290-N294 WeakPolarHBondContact CA-O 3.19Å; F290-N294 WeakPolarHBondContact CB-O 3.39Å; F290-V295 HydrophobicContact CB-CG2 4.03Å
291	S	92.9	Very high	94.2	Very high	82 Å²	82	28.2 Å²	28.2	57%	0.573	15%	0.154	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.6	115.7	175	-178.3	0	0	0	0	108.2	S293 N294	S291-S293 PolarHBondContact O-N 3.18Å; S291-N294 PolarHBondContact N-O 2.74Å; S291-N294 PolarHBondContact O-N 3.48Å
292	Q	92.6	Very high	94.3	Very high	138 Å²	138	27.5 Å²	27.5	65%	0.645	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	-121.8	-173.6	-56	175.9	3.3	0	0	110.4	N22 V23	N22-Q292 WeakPolarHBondContact OD1-CA 3.48Å; V23-Q292 WeakPolarHBondContact CG2-O 3.45Å; V23-Q292 PolarHBondContact N-O 3.45Å
293	S	95.1	Very high	94.5	Very high	29 Å²	29	29.7 Å²	29.7	20%	0.203	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.2	177.3	52.1	0	0	0	0	114.4	A18 H19 S21 S291	A18-S293 PolarHBondContact N-O 3.29Å; H19-S293 VanDerWaalsContact O-CB 3.24Å; H19-S293 WeakPolarHBondContact O-CB 3.37Å; S21-S293 WeakPolarHBondContact O-CA 3.48Å; S21-S293 WeakPolarHBondContact O-CB 3.45Å; S291-S293 PolarHBondContact O-N 3.18Å
294	N	94.8	Very high	94.4	Very high	47 Å²	47	30.7 Å²	30.7	25%	0.251	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	141.9	-170.1	-67.3	6.6	0	0	0	111.5	E15 I16 F290 S291	E15-N294 HydrophobicContact CG-CB 4.48Å; E15-N294 PolarHBondContact OE1-ND2 2.98Å; I16-N294 CarbonylContact O-C 3.56Å; I16-N294 VanDerWaalsContact O-CA 3.29Å; I16-N294 WeakPolarHBondContact O-CA 3.36Å; F290-N294 CarbonylContact C-O 3.56Å; F290-N294 WeakPolarHBondContact CA-O 3.19Å; F290-N294 WeakPolarHBondContact CB-O 3.39Å; S291-N294 PolarHBondContact N-O 2.74Å; S291-N294 PolarHBondContact O-N 3.48Å
295	V	96.3	Very high	94.3	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129	172	-178.3	0	0	0	0	108.8	E15 I16 A18 V23 L26 L36 T38 A289 F290	E15-V295 WeakPolarHBondContact CA-O 3.37Å; I16-V295 HydrophobicContact CG1-CB 4.08Å; I16-V295 PolarHBondContact N-O 3.03Å; I16-V295 PolarHBondContact O-N 3.2Å; A18-V295 HydrophobicContact CB-CB 4.32Å; A18-V295 HydrophobicContact CB-CG2 3.57Å; V23-V295 HydrophobicContact CG1-CG2 4.36Å; V23-V295 HydrophobicContact CG2-CG2 3.96Å; L26-V295 HydrophobicContact CD2-CG1 4.04Å; L36-V295 HydrophobicContact CD2-CG1 3.92Å; T38-V295 HydrophobicContact CG2-CG2 3.96Å; A289-V295 WeakPolarHBondContact O-CA 3.28Å; F290-V295 HydrophobicContact CB-CG2 4.03Å
296	S	95.8	Very high	94	Very high	14 Å²	14	33.8 Å²	33.8	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.7	177	-68.1	0	0	0	0	110	K12 Q14 V288 A289 Y298	K12-S296 WeakPolarHBondContact CE-OG 3.44Å; Q14-S296 WeakPolarHBondContact O-CA 3.42Å; V288-S296 WeakPolarHBondContact CA-O 3.43Å; A289-S296 PolarHBondContact N-O 3.09Å; A289-S296 PolarHBondContact O-N 3.18Å; S296-Y298 VanDerWaalsContact CB-CE2 3.46Å
297	S	95.6	Very high	93.5	Very high	7 Å²	7	36.1 Å²	36.1	5%	0.049	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.1	174.7	60.6	0	0	0	0	110.5	L13 Q14 G287	L13-S297 PolarHBondContact N-O 3.23Å; Q14-S297 WeakPolarHBondContact CB-OG 3.42Å; Q14-S297 PolarHBondContact N-O 3.28Å; Q14-S297 PolarHBondContact N-OG 3.41Å; Q14-S297 PolarHBondContact O-N 2.96Å; Q14-S297 PolarHBondContact O-OG 3.28Å; G287-S297 WeakPolarHBondContact O-CA 3.22Å
298	Y	96.1	Very high	92.7	Very high	22 Å²	22	40.1 Å²	40.1	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.2	-176.4	-64.3	-100.6	0	0	0	108.9	W11 K12 V270 N271 W272 I286 G287 S296	W11-Y298 WeakPolarHBondContact O-CA 3.48Å; K12-Y298 HydrophobicContact CB-CD1 3.82Å; K12-Y298 HydrophobicContact CB-CE1 3.61Å; K12-Y298 HydrophobicContact CD-CE1 4.08Å; K12-Y298 HydrophobicContact CG-CD1 4.13Å; K12-Y298 HydrophobicContact CG-CE1 3.73Å; K12-Y298 HydrophobicContact CG-CE2 4.49Å; V270-Y298 HydrophobicContact CG1-CD1 3.78Å; V270-Y298 HydrophobicContact CG1-CG 4.01Å; N271-Y298 PolarHBondContact O-OH 3.01Å; W272-Y298 VanDerWaalsContact CA-CZ 3.47Å; W272-Y298 HydrophobicContact CB-CD1 4.09Å; W272-Y298 HydrophobicContact CB-CD2 3.43Å; W272-Y298 VanDerWaalsContact CB-CD2 3.43Å; W272-Y298 HydrophobicContact CB-CE1 4.08Å; W272-Y298 HydrophobicContact CB-CE2 3.45Å; W272-Y298 VanDerWaalsContact CB-CE2 3.45Å; W272-Y298 HydrophobicContact CB-CG 3.78Å; W272-Y298 HydrophobicContact CE3-CG 4.48Å; I286-Y298 CarbonylContact C-O 3.58Å; I286-Y298 VanDerWaalsContact CA-O 3.3Å; I286-Y298 WeakPolarHBondContact CA-O 3.31Å; G287-Y298 PolarHBondContact N-O 3.28Å; G287-Y298 PolarHBondContact O-N 3.45Å; S296-Y298 VanDerWaalsContact CB-CE2 3.46Å
299	V	95.8	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.5	177.4	179.4	0	0	0	0	108.3	A10 W11 L13 Q284 L285 I286 F403	A10-V299 CarbonylContact C-O 3.52Å; A10-V299 VanDerWaalsContact CA-O 3.24Å; A10-V299 WeakPolarHBondContact CA-O 3.49Å; W11-V299 HydrophobicContact CD2-CB 4.3Å; W11-V299 HydrophobicContact CH2-CB 4.23Å; W11-V299 HydrophobicContact CH2-CG1 3.64Å; W11-V299 HydrophobicContact CZ2-CB 3.74Å; W11-V299 HydrophobicContact CZ2-CG1 3.47Å; W11-V299 VanDerWaalsContact CZ2-CG1 3.47Å; W11-V299 HydrophobicContact CZ3-CG1 4.35Å; W11-V299 PolarHBondContact N-O 2.81Å; W11-V299 PolarHBondContact O-N 3.05Å; L13-V299 HydrophobicContact CB-CG2 4.06Å; L13-V299 HydrophobicContact CD2-CG2 3.9Å; L13-V299 HydrophobicContact CG-CG2 4.4Å; Q284-V299 HydrophobicContact CB-CG1 3.93Å; Q284-V299 HydrophobicContact CG-CG1 4.1Å; L285-V299 CarbonylContact O-C 3.52Å; L285-V299 WeakPolarHBondContact O-CA 3.39Å; I286-V299 HydrophobicContact CG1-CG2 4.49Å; V299-F403 HydrophobicContact CG2-CB 4.19Å; V299-F403 HydrophobicContact CG2-CD2 3.86Å; V299-F403 HydrophobicContact CG2-CG 4.21Å
300	V	96.1	Very high	88.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.5	171.3	-175	0	0	0	0	108	T9 A10 L254 V268 V270 W272 Q284 L285 L302 V305	T9-V300 WeakPolarHBondContact O-CA 3.4Å; A10-V300 HydrophobicContact CB-CG1 4.48Å; A10-V300 HydrophobicContact CB-CG2 3.97Å; L254-V300 HydrophobicContact CD2-CB 4.27Å; L254-V300 HydrophobicContact CD2-CG1 3.93Å; L254-V300 HydrophobicContact CD2-CG2 4.19Å; V268-V300 HydrophobicContact CG1-CG1 4.14Å; V270-V300 HydrophobicContact CG1-CG2 4.31Å; V270-V300 HydrophobicContact CG2-CG2 3.69Å; W272-V300 HydrophobicContact CZ3-CG2 4.23Å; Q284-V300 CarbonylContact C-O 3.57Å; Q284-V300 WeakPolarHBondContact CA-O 3.44Å; L285-V300 HydrophobicContact CB-CB 4.33Å; L285-V300 HydrophobicContact CD2-CB 4.35Å; L285-V300 HydrophobicContact CD2-CG2 4.15Å; L285-V300 PolarHBondContact N-O 3.09Å; L285-V300 PolarHBondContact O-N 3.3Å; V300-L302 PolarHBondContact O-N 3.4Å; V300-V305 HydrophobicContact CG1-CG2 3.91Å
301	D	93.8	Very high	85.9	Confident	21 Å²	21	50.8 Å²	50.8	11%	0.112	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	102.5	175.4	179.3	1.2	0	0	0	109.8	T9 W11 T303 R304 V305	T9-D301 PolarHBondContact O-N 3.17Å; W11-D301 HydrophobicContact CH2-CB 4.44Å; W11-D301 HydrophobicContact CZ3-CB 4.17Å; D301-T303 VanDerWaalsContact CG-OG1 3.24Å; D301-T303 PolarHBondContact O-N 3.23Å; D301-T303 WeakPolarHBondContact OD1-CB 3.33Å; D301-T303 WeakPolarHBondContact OD1-CG2 3.48Å; D301-T303 PolarHBondContact OD1-N 3.43Å; D301-T303 PolarHBondContact OD1-OG1 2.87Å; D301-T303 PolarHBondContact OD2-OG1 2.84Å; D301-R304 PolarHBondContact O-N 3.21Å; D301-R304 IonicContact OD2-NE 3.04Å; D301-R304 PolarHBondContact OD2-NE 3.09Å; D301-V305 WeakPolarHBondContact O-CG2 3.49Å
302	L	92.9	Very high	82.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-71.4	-12.3	-176.5	-60.9	176.8	0	0	0	112.8	Y247 I280 D283 L285 V300 R304 V305 R307	Y247-L302 HydrophobicContact CE1-CD2 3.85Å; Y247-L302 HydrophobicContact CE2-CD1 4.45Å; I280-L302 HydrophobicContact CD1-CD1 4.28Å; I280-L302 HydrophobicContact CG1-CD1 4.09Å; I280-L302 HydrophobicContact CG2-CD1 3.94Å; D283-L302 WeakPolarHBondContact O-CA 3.45Å; D283-L302 WeakPolarHBondContact O-CB 3.47Å; D283-L302 PolarHBondContact O-N 2.94Å; L285-L302 HydrophobicContact CB-CD1 4Å; L285-L302 HydrophobicContact CB-CD2 3.65Å; L285-L302 HydrophobicContact CB-CG 3.84Å; L285-L302 HydrophobicContact CD1-CD2 4.31Å; V300-L302 PolarHBondContact O-N 3.4Å; L302-R304 PolarHBondContact O-N 3.47Å; L302-V305 HydrophobicContact CD2-CB 4.4Å; L302-V305 HydrophobicContact CD2-CG2 4.27Å; L302-V305 PolarHBondContact O-N 3.42Å; L302-R307 PolarHBondContact O-NE 2.72Å; L302-R307 VanDerWaalsContact O-NE 3.11Å; L302-R307 PolarHBondContact O-NH2 3.02Å
303	T	90.5	Very high	80.1	Confident	94 Å²	94	55.5 Å²	55.5	58%	0.577	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.3	-21.2	174.9	68.9	0	0	0	0	111.9	D283 D301	D283-T303 HydrophobicContact CB-CG2 3.87Å; D301-T303 VanDerWaalsContact CG-OG1 3.24Å; D301-T303 PolarHBondContact O-N 3.23Å; D301-T303 WeakPolarHBondContact OD1-CB 3.33Å; D301-T303 WeakPolarHBondContact OD1-CG2 3.48Å; D301-T303 PolarHBondContact OD1-N 3.43Å; D301-T303 PolarHBondContact OD1-OG1 2.87Å; D301-T303 PolarHBondContact OD2-OG1 2.84Å
304	R	87.6	Confident	76.8	Confident	104 Å²	104	61.7 Å²	61.7	39%	0.392	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-99	-2.3	177.8	-60	176.2	177.2	-116.6	-5.7	113.3	T7 T9 D301 L302	T7-R304 VanDerWaalsContact O-CZ 3.3Å; T7-R304 PolarHBondContact O-NH1 3.19Å; T7-R304 PolarHBondContact OG1-NH2 3.37Å; T9-R304 HydrophobicContact CG2-CB 3.98Å; D301-R304 PolarHBondContact O-N 3.21Å; D301-R304 IonicContact OD2-NE 3.04Å; D301-R304 PolarHBondContact OD2-NE 3.09Å; L302-R304 PolarHBondContact O-N 3.47Å
305	V	91.6	Very high	73.9	Confident	9 Å²	9	64.8 Å²	64.8	6%	0.055	36%	0.364	C	S	.	.	S	Bend	trans	-98.2	130.6	-177.6	178.8	0	0	0	0	109.8	V256 D266 V268 V300 D301 L302 R307	V256-V305 HydrophobicContact CG2-CG1 3.51Å; D266-V305 HydrophobicContact CB-CG1 4.21Å; V268-V305 HydrophobicContact CG2-CG1 4.34Å; V268-V305 HydrophobicContact CG2-CG2 3.78Å; V300-V305 HydrophobicContact CG1-CG2 3.91Å; D301-V305 WeakPolarHBondContact O-CG2 3.49Å; L302-V305 HydrophobicContact CD2-CB 4.4Å; L302-V305 HydrophobicContact CD2-CG2 4.27Å; L302-V305 PolarHBondContact O-N 3.42Å; V305-R307 WeakPolarHBondContact O-CG 3.16Å; V305-R307 PolarHBondContact O-N 3.02Å
306	T	89.9	Confident	70.8	Confident	70 Å²	70	70.6 Å²	70.6	43%	0.429	40%	0.399	S	S	.	.			trans	-76	111	179	-54.5	0	0	0	0	110.1	F265 D266	F265-T306 WeakPolarHBondContact CB-O 3.26Å; D266-T306 PolarHBondContact OD2-N 3.12Å
307	R	84.9	Confident	67.6	Low	49 Å²	49	77.8 Å²	77.8	19%	0.185	43%	0.431	C	S	.	.			trans	-97.6	-19.9	-175.4	-49.5	-177.2	-160.4	171.1	5.3	113.8	Y247 F265 D283 L302 V305	Y247-R307 WeakPolarHBondContact OH-CD 3.42Å; F265-R307 WeakPolarHBondContact CD2-O 3.37Å; F265-R307 WeakPolarHBondContact CE2-O 2.95Å; D283-R307 IonicContact OD1-CZ 2.63Å; D283-R307 IonicContact OD1-NH1 2.89Å; D283-R307 PolarHBondContact OD1-NH1 2.9Å; D283-R307 IonicContact OD1-NH2 3.86Å; D283-R307 PolarHBondContact OD1-NH2 3.37Å; L302-R307 PolarHBondContact O-NE 2.72Å; L302-R307 VanDerWaalsContact O-NE 3.11Å; L302-R307 PolarHBondContact O-NH2 3.02Å; V305-R307 WeakPolarHBondContact O-CG 3.16Å; V305-R307 PolarHBondContact O-N 3.02Å
308	T	79.8	Confident	64.4	Low	84 Å²	84	84.4 Å²	84.4	52%	0.515	47%	0.466	S	S	.	.	S	Bend	trans	-142.4	136.3	-177.6	54.4	0	0	0	0	109.9	C244 T310	C244-T308 HydrophobicContact CB-CG2 4.32Å; T308-T310 PolarHBondContact O-N 3.26Å
309	G	61.8	Low	61.5	Low	37 Å²	37	91.6 Å²	91.6	38%	0.381	50%	0.5	S	S	.	.			trans	-77.8	106.4	175.8	0	0	0	0	0	112.4
310	T	42	Very low	58.2	Low	120 Å²	120	102.5 Å²	102.5	74%	0.736	54%	0.541	S	S	*	.			trans	-74.6	138.3	155.2	43.3	0	0	0	0	109.4	T308 A312	T308-T310 PolarHBondContact O-N 3.26Å; T310-A312 PolarHBondContact O-N 3.21Å
311	V	38.4	Very low	55	Low	136 Å²	136	108.7 Å²	108.7	82%	0.824	58%	0.581	S	S	*	*			trans	-66.5	85.9	170.7	-177.7	0	0	0	0	108.6
312	A	27.9	Very low	52	Low	88 Å²	88	116.1 Å²	116.1	73%	0.727	62%	0.62	S	S	*	*			trans	-81.8	110.8	159	0	0	0	0	0	107	T310 D314	T310-A312 PolarHBondContact O-N 3.21Å; A312-D314 PolarHBondContact O-N 3.05Å
313	R	35.9	Very low	49	Very low	230 Å²	230	120.6 Å²	120.6	87%	0.868	66%	0.657	S	S	*	*			trans	-65.5	124.3	159.8	-78.6	-180	174	175.3	-1.8	107
314	D	25.1	Very low	46.1	Very low	159 Å²	159	124.9 Å²	124.9	85%	0.85	67%	0.671	S	S	*	*			trans	-161.1	158.1	145.8	-97.9	-22.9	0	0	0	109.9	A312	A312-D314 PolarHBondContact O-N 3.05Å
315	P	34.4	Very low	43.5	Very low	113 Å²	113	125.6 Å²	125.6	73%	0.734	69%	0.689	S	S	*	*				-82.3	149.1	-117.7	27.7	-34.8	0	0	0	114.2	Q317	P315-Q317 PolarHBondContact O-N 3.39Å; P315-Q317 VanDerWaalsContact O-N 3.07Å
316	V	31	Very low	40.8	Very low	125 Å²	125	131 Å²	131	76%	0.758	72%	0.724	S	S	*	*			trans	-42.3	110.4	165.8	177.4	0	0	0	0	110	D318	V316-D318 PolarHBondContact O-N 3.13Å
317	Q	29.7	Very low	38.2	Very low	165 Å²	165	132.9 Å²	132.9	77%	0.771	74%	0.738	S	S	*	*			trans	-81.5	104.7	154.6	-114	177.4	-4.9	0	0	106.6	P315 H319	P315-Q317 PolarHBondContact O-N 3.39Å; P315-Q317 VanDerWaalsContact O-N 3.07Å; Q317-H319 PolarHBondContact O-N 2.72Å
318	D	28.3	Very low	35.7	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	77%	0.767	S	S	*	*			trans	-53.3	102	172.4	-85.3	-34.5	0	0	0	110	V316 R320	V316-D318 PolarHBondContact O-N 3.13Å; D318-R320 PolarHBondContact O-N 3.03Å
319	H	33.5	Very low	33.6	Very low	174 Å²	174	139 Å²	139	81%	0.806	78%	0.776	S	S	*	*			trans	-73.6	95.5	165.2	-75.1	-65.5	0	0	0	108.8	Q317	Q317-H319 PolarHBondContact O-N 2.72Å
320	R	26.6	Very low	31.9	Very low	229 Å²	229	142.4 Å²	142.4	86%	0.864	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-55.2	135.8	156	-83.4	-178.6	175.3	-177.7	-1	109.1	D318 L322	D318-R320 PolarHBondContact O-N 3.03Å; R320-L322 PolarHBondContact O-N 3.34Å
321	P	28.6	Very low	31.4	Very low	129 Å²	129	141.3 Å²	141.3	84%	0.838	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.4	123.5	175.3	-11.4	25.2	0	0	0	109.9
322	L	31.3	Very low	31.2	Very low	177 Å²	177	140.2 Å²	140.2	93%	0.927	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73.9	128.3	165.7	-80	163.5	0	0	0	108.9	R320	R320-L322 PolarHBondContact O-N 3.34Å
323	A	29.5	Very low	31.2	Very low	95 Å²	95	143.7 Å²	143.7	79%	0.785	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66.6	146.9	-171.4	0	0	0	0	0	113.5
324	Q	31.1	Very low	30.8	Very low	184 Å²	184	144.9 Å²	144.9	86%	0.86	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-65.8	142.6	169	-64.9	175.8	-5.4	0	0	110.9
325	P	32.4	Very low	30.9	Very low	120 Å²	120	147.2 Å²	147.2	78%	0.779	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77.2	148.9	165.8	23.7	-17.4	0	0	0	111.4
326	P	34	Very low	30.5	Very low	123 Å²	123	150 Å²	150	80%	0.799	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-82	167.1	-167.3	33.5	-36	0	0	0	114.3
327	P	37.1	Very low	30.4	Very low	109 Å²	109	153.2 Å²	153.2	71%	0.708	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-96.6	167.6	-173.9	38.2	-33.7	0	0	0	114.7
328	N	30.8	Very low	30.1	Very low	150 Å²	150	154.8 Å²	154.8	80%	0.802	82%	0.815	S	S	*	*			trans	100.8	161	157.9	-63.3	-14.5	0	0	0	118.5
329	P	35.2	Very low	30.2	Very low	110 Å²	110	158.6 Å²	158.6	71%	0.714	82%	0.818	S	S	*	*			cis	-137	162	-39	35.1	-17	0	0	0	115.1
330	S	27.5	Very low	30	Very low	110 Å²	110	155.8 Å²	155.8	77%	0.769	82%	0.816	S	S	*	*			trans	29.1	114.7	152.4	61.4	0	0	0	0	124
331	A	30.4	Very low	30	Very low	97 Å²	97	149.7 Å²	149.7	80%	0.802	81%	0.808	S	S	*	*				35.7	150.6	126.3	0	0	0	0	0	122.2
332	P	35.6	Very low	30.1	Very low	113 Å²	113	150.3 Å²	150.3	73%	0.734	81%	0.81	S	S	*	*			cis	-149.5	165.2	42.3	37.8	-14.5	0	0	0	121
333	L	28.1	Very low	29.7	Very low	161 Å²	161	148.6 Å²	148.6	84%	0.843	81%	0.807	S	S	*	*			trans	48.1	120.6	146.4	-63.7	168.8	0	0	0	122.8
334	R	27.3	Very low	29.7	Very low	254 Å²	254	150.4 Å²	150.4	96%	0.958	81%	0.812	S	S	*	*				-168.7	143.4	106.4	-105.2	-179.3	-175.9	-179.4	2.4	113.7
335	R	27.6	Very low	29.4	Very low	209 Å²	209	147.5 Å²	147.5	79%	0.789	81%	0.812	S	S	*	*			trans	-60.9	155.9	178.3	-71.3	172.1	166.7	161.3	-5	113.4
336	I	25.3	Very low	29.3	Very low	171 Å²	171	151.4 Å²	151.4	88%	0.877	82%	0.817	S	S	*	*				-158.6	138.8	111.1	-91.6	149.9	0	0	0	109.7
337	Y	27.7	Very low	29.9	Very low	193 Å²	193	151 Å²	151	76%	0.757	81%	0.814	S	S	*	*			trans	-70.5	152.5	179.3	-95.6	-108.9	0	0	0	112.1
338	E	23.5	Very low	29.3	Very low	197 Å²	197	154.3 Å²	154.3	92%	0.921	82%	0.82	S	S	*	*				-174.5	140.5	104.1	-100	-179.6	179.7	0	0	112.7
339	R	31	Very low	29	Very low	225 Å²	225	157.4 Å²	157.4	85%	0.849	82%	0.82	S	S	*	*			trans	-134.3	144.9	171	180	-164.2	-85.7	-179.7	-5.2	106.5
340	P	30.3	Very low	28.7	Very low	116 Å²	116	158.2 Å²	158.2	75%	0.753	82%	0.823	S	S	*	*			trans	-134.6	171.8	133.6	13.3	8.1	0	0	0	110.9
341	S	25.9	Very low	28.5	Very low	101 Å²	101	162.5 Å²	162.5	71%	0.706	83%	0.828	S	S	*	*			cis	-168.6	128.7	-48.1	41.8	0	0	0	0	104.3
342	T	29.8	Very low	28.4	Very low	142 Å²	142	166.5 Å²	166.5	87%	0.871	83%	0.83	S	S	*	*			trans	-92.2	140.4	169.1	44.5	0	0	0	0	109.7
343	T	24.3	Very low	27.8	Very low	141 Å²	141	169.1 Å²	169.1	87%	0.865	84%	0.838	S	S	*	*			trans	-143	116.6	159.1	21	0	0	0	0	110.1
344	C	28.8	Very low	27.8	Very low	132 Å²	132	166.6 Å²	166.6	89%	0.892	83%	0.833	S	S	*	*			trans	-95	143.3	157.1	-87.1	0	0	0	0	108.6
345	S	25.4	Very low	28	Very low	123 Å²	123	163.7 Å²	163.7	86%	0.86	83%	0.83	S	S	*	*			trans	-153.2	132.3	147.8	52.4	0	0	0	0	110.9
346	K	29.8	Very low	27.9	Very low	203 Å²	203	159.4 Å²	159.4	88%	0.883	83%	0.833	S	S	*	*			trans	-88.1	-167.3	169.9	-62.8	176.5	170.9	174.5	0	109
347	P	47	Very low	28.2	Very low	113 Å²	113	158.5 Å²	158.5	73%	0.734	83%	0.825	S	S	*	*			cis	-133.9	164.7	-19.9	24.1	-1.8	0	0	0	114.4
348	Q	24.2	Very low	28.4	Very low	179 Å²	179	159.5 Å²	159.5	84%	0.836	83%	0.827	S	S	*	*			trans	-173.1	125	136.7	-113.3	-179.6	-21.8	0	0	116.3
349	R	23.5	Very low	28.4	Very low	216 Å²	216	161.9 Å²	161.9	82%	0.815	83%	0.828	S	S	*	*				60.2	108.5	129.1	-152.5	171.1	-169.4	-179.1	2.2	122.5
350	V	28.8	Very low	28.3	Very low	126 Å²	126	156.4 Å²	156.4	76%	0.764	82%	0.824	S	S	*	*			trans	33.1	114.4	130.8	-166.9	0	0	0	0	118.2
351	K	24.8	Very low	28.6	Very low	201 Å²	201	155.7 Å²	155.7	87%	0.874	82%	0.819	S	S	*	*			trans	-150.6	141.3	135.8	-108.9	173.9	-176.1	-177.6	0	110.7
352	Q	27.8	Very low	28.9	Very low	181 Å²	181	155.4 Å²	155.4	85%	0.846	82%	0.818	S	S	*	*			trans	-51.9	138.5	-174.6	-70.8	152.4	-40.7	0	0	112.6
353	N	23.9	Very low	29.2	Very low	168 Å²	168	152.8 Å²	152.8	90%	0.898	81%	0.805	S	S	*	*			trans	-110.4	115.4	151.8	-99	0.4	0	0	0	108.7
354	S	27	Very low	29.7	Very low	107 Å²	107	153.2 Å²	153.2	75%	0.748	80%	0.797	S	S	*	*			trans	-63.1	149.5	170.4	46.1	0	0	0	0	111.6
355	E	31.1	Very low	30.5	Very low	193 Å²	193	149.7 Å²	149.7	90%	0.902	77%	0.769	S	S	*	*			trans	-45.9	139.5	166.5	-63.1	164.1	133.5	0	0	112.5
356	S	27.1	Very low	31.4	Very low	120 Å²	120	148.5 Å²	148.5	84%	0.839	75%	0.753	S	S	*	*			trans	-147.5	93.1	145.4	53.5	0	0	0	0	108.4
357	E	30.8	Very low	31.8	Very low	151 Å²	151	147.9 Å²	147.9	71%	0.706	75%	0.746	S	S	*	*			trans	-58	154	163.2	-129.1	-173.8	-158.2	0	0	111.5
358	R	31.2	Very low	31.8	Very low	214 Å²	214	146.2 Å²	146.2	81%	0.808	73%	0.73	S	S	*	*			trans	83.5	112.4	158.1	-60	167.9	-163.3	-154.5	0.5	118.8
359	R	24.9	Very low	33	Very low	247 Å²	247	141.5 Å²	141.5	93%	0.932	71%	0.708	S	S	*	*				-157.2	122	109.5	-99.7	170.3	-165.5	-170.7	3.5	109.6
360	S	28.6	Very low	34.1	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	71%	0.707	S	S	*	*			trans	-73.9	133.6	166	-49	0	0	0	0	108.9
361	P	36.7	Very low	35	Very low	100 Å²	100	142.8 Å²	142.8	65%	0.649	71%	0.706	S	S	*	*			trans	-89.7	117.4	164.3	32.4	-23.9	0	0	0	108
362	S	32.3	Very low	36.5	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	67%	0.67	S	S	*	*			trans	-141.3	23.7	175.2	74.7	0	0	0	0	112.8
363	S	35.9	Very low	38.4	Very low	87 Å²	87	134.1 Å²	134.1	61%	0.608	66%	0.662	S	S	*	*	S	Bend	trans	-135.6	-12.8	-178.8	61	0	0	0	0	115.2
364	E	35.1	Very low	41.3	Very low	150 Å²	150	127 Å²	127	70%	0.701	63%	0.627	S	S	*	*	S	Bend	trans	-96.1	-36.3	174.8	-63.5	-166.3	157.4	0	0	111.6	D366 R367 D368	E364-D366 PolarHBondContact O-N 3.24Å; E364-R367 PolarHBondContact O-N 3.23Å; E364-R367 VanDerWaalsContact O-N 3.08Å; E364-D368 PolarHBondContact O-N 2.62Å
365	D	44.3	Very low	44.4	Very low	57 Å²	57	125.8 Å²	125.8	31%	0.305	61%	0.609	S	S	.	*	H	α-helix	trans	-62.9	-35.5	-177.8	-67.3	-42.4	0	0	0	114.5	R367 D368 E369	D365-R367 PolarHBondContact O-N 2.64Å; D365-D368 PolarHBondContact O-N 3.05Å; D365-E369 PolarHBondContact O-N 3.19Å
366	D	44	Very low	47.2	Very low	98 Å²	98	120.1 Å²	120.1	52%	0.524	59%	0.585	S	S	.	*	H	α-helix	trans	-70.9	-16.6	178	-79	-24.1	0	0	0	112.8	E364	E364-D366 PolarHBondContact O-N 3.24Å
367	R	38.4	Very low	50.2	Low	191 Å²	191	119.6 Å²	119.6	72%	0.721	57%	0.569	S	S	*	*	H	α-helix	trans	-82.3	-42.9	174.7	-68.4	-172.1	-163.6	-157.7	2.9	111.4	E364 D365 E369 R370	E364-R367 PolarHBondContact O-N 3.23Å; E364-R367 VanDerWaalsContact O-N 3.08Å; D365-R367 PolarHBondContact O-N 2.64Å; R367-E369 VanDerWaalsContact C-N 3.33Å; R367-E369 PolarHBondContact O-N 3.47Å; R367-R370 WeakPolarHBondContact O-CB 3.41Å; R367-R370 PolarHBondContact O-N 2.85Å; R367-R370 VanDerWaalsContact O-N 3.11Å
368	D	46.7	Very low	53	Low	77 Å²	77	113.8 Å²	113.8	41%	0.412	54%	0.543	S	S	.	.	H	α-helix	trans	-67.7	-32.2	-179.8	-74.2	-9.1	0	0	0	112.4	E364 D365 R370 E371 S372	E364-D368 PolarHBondContact O-N 2.62Å; D365-D368 PolarHBondContact O-N 3.05Å; D368-R370 PolarHBondContact O-N 2.51Å; D368-E371 PolarHBondContact O-N 3.1Å; D368-S372 PolarHBondContact O-N 3.08Å; D368-S372 PolarHBondContact O-OG 2.79Å
369	E	50.8	Low	55.7	Low	80 Å²	80	106.2 Å²	106.2	37%	0.374	53%	0.526	S	S	.	.	H	α-helix	trans	-63.5	-23.1	173.3	-73.2	-166.6	164.5	0	0	113	T100 D365 R367	T100-E369 PolarHBondContact OG1-OE1 3.44Å; D365-E369 PolarHBondContact O-N 3.19Å; R367-E369 VanDerWaalsContact C-N 3.33Å; R367-E369 PolarHBondContact O-N 3.47Å
370	R	45.4	Very low	58.7	Low	211 Å²	211	102 Å²	102	80%	0.796	52%	0.517	S	S	*	.	H	α-helix	trans	-82.1	-21.9	177.1	-74.8	-176.2	177.8	-164.7	-0.4	113.8	R367 D368	R367-R370 WeakPolarHBondContact O-CB 3.41Å; R367-R370 PolarHBondContact O-N 2.85Å; R367-R370 VanDerWaalsContact O-N 3.11Å; D368-R370 PolarHBondContact O-N 2.51Å
371	E	48.3	Very low	61.4	Low	158 Å²	158	97.3 Å²	97.3	74%	0.738	48%	0.483	S	S	*	.	H	α-helix	trans	-100.1	-25.5	-176.7	-69	-172.9	174.2	0	0	113.4	D368 R373	D368-E371 PolarHBondContact O-N 3.1Å; E371-R373 PolarHBondContact O-N 3.11Å
372	S	56.7	Low	63.9	Low	15 Å²	15	93.3 Å²	93.3	11%	0.105	46%	0.455	C	S	.	.			trans	-72.8	110.8	176.9	53.5	0	0	0	0	112.1	R88 I97 D368	R88-S372 PolarHBondContact NH1-OG 3.43Å; I97-S372 WeakPolarHBondContact CD1-OG 3.33Å; D368-S372 PolarHBondContact O-N 3.08Å; D368-S372 PolarHBondContact O-OG 2.79Å
373	R	68.1	Low	66.6	Low	185 Å²	185	92 Å²	92	70%	0.698	44%	0.441	S	S	*	.			trans	-123	148.3	179.4	-66.3	-176.3	177	-167.5	-0.6	110.8	T60 E371	T60-R373 PolarHBondContact OG1-N 2.85Å; T60-R373 PolarHBondContact OG1-O 3.37Å; E371-R373 PolarHBondContact O-N 3.11Å
374	A	85.1	Confident	68.9	Low	18 Å²	18	92.7 Å²	92.7	15%	0.149	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.5	161.9	0	0	0	0	0	108.7	S58 L59 A95	S58-A374 WeakPolarHBondContact O-CA 3.3Å; L59-A374 HydrophobicContact CD2-CB 3.57Å; A95-A374 HydrophobicContact CB-CB 3.76Å; A95-A374 WeakPolarHBondContact O-CB 3.49Å
375	E	90.9	Very high	71.2	Confident	82 Å²	82	88.8 Å²	88.8	38%	0.383	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	101.3	172.2	-64.2	172.9	-174.7	0	0	107.6	R44 M57 S58 T60 Q377	R44-E375 IonicContact CZ-OE1 3.63Å; R44-E375 IonicContact CZ-OE2 3.21Å; R44-E375 IonicContact NH1-OE1 2.92Å; R44-E375 IonicContact NH1-OE2 3.88Å; R44-E375 PolarHBondContact NH1-OE2 3.46Å; R44-E375 IonicContact NH2-OE1 2.89Å; R44-E375 PolarHBondContact NH2-OE1 2.89Å; R44-E375 IonicContact NH2-OE2 3.85Å; R44-E375 PolarHBondContact NH2-OE2 2.9Å; M57-E375 CarbonylContact C-O 3.6Å; M57-E375 VanDerWaalsContact CA-O 3.29Å; M57-E375 WeakPolarHBondContact CA-O 3.48Å; S58-E375 PolarHBondContact N-O 3.23Å; S58-E375 PolarHBondContact O-N 3.22Å; T60-E375 HydrophobicContact CG2-CG 4.39Å; E375-Q377 PolarHBondContact O-N 3.32Å
376	I	90.2	Very high	73.2	Confident	74 Å²	74	87 Å²	87	38%	0.379	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	115.5	175	-59.7	166.2	0	0	0	107.9	A95 A379 Y382	A95-I376 HydrophobicContact CB-CD1 4.25Å; A95-I376 HydrophobicContact CB-CG1 4.43Å; I376-A379 HydrophobicContact CG2-CB 4.44Å; I376-Y382 HydrophobicContact CD1-CD1 3.83Å; I376-Y382 HydrophobicContact CD1-CD2 4.45Å; I376-Y382 HydrophobicContact CD1-CE1 3.59Å; I376-Y382 HydrophobicContact CD1-CE2 4.28Å; I376-Y382 HydrophobicContact CD1-CG 4.23Å; I376-Y382 HydrophobicContact CG1-CD2 4.48Å; I376-Y382 HydrophobicContact CG1-CG 4.43Å; I376-Y382 HydrophobicContact CG2-CD1 4.25Å; I376-Y382 HydrophobicContact CG2-CG 4Å
377	Q	89.3	Confident	75	Confident	110 Å²	110	87 Å²	87	51%	0.514	40%	0.404	S	S	.	.	S	Bend	trans	-92.3	-36.2	-178.3	-64.6	-170.6	16.3	0	0	111.6	C55 I56 E375	C55-Q377 VanDerWaalsContact CB-OE1 3.25Å; C55-Q377 WeakPolarHBondContact O-CB 3.46Å; I56-Q377 PolarHBondContact O-N 3.08Å; E375-Q377 PolarHBondContact O-N 3.32Å
378	N	89.6	Confident	76.4	Confident	29 Å²	29	81.9 Å²	81.9	16%	0.155	40%	0.395	C	S	.	.			trans	-124.2	101.6	173.9	-171.1	-16.9	0	0	0	110.6	I56 E380 D381 Y382	I56-N378 PolarHBondContact O-N 3.43Å; N378-E380 VanDerWaalsContact C-N 3.34Å; N378-E380 PolarHBondContact O-N 3.26Å; N378-E380 PolarHBondContact OD1-N 2.77Å; N378-E380 VanDerWaalsContact OD1-N 3.1Å; N378-D381 HydrophobicContact CB-CB 4.21Å; N378-D381 PolarHBondContact ND2-OD2 2.95Å; N378-D381 PolarHBondContact OD1-N 2.83Å; N378-Y382 WeakPolarHBondContact O-CB 3.42Å; N378-Y382 PolarHBondContact O-N 3.27Å
379	A	88.8	Confident	77.2	Confident	55 Å²	55	85 Å²	85	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-68.3	-31	-178.7	0	0	0	0	0	113.3	I376 N383	I376-A379 HydrophobicContact CG2-CB 4.44Å; A379-N383 WeakPolarHBondContact O-CB 3.24Å; A379-N383 PolarHBondContact O-N 3.49Å; A379-N383 PolarHBondContact O-ND2 3.33Å
380	E	87.4	Confident	77.1	Confident	157 Å²	157	89 Å²	89	73%	0.734	43%	0.429	S	S	*	.	H	α-helix	trans	-68.4	-51.6	179.8	-63.5	-178.1	177	0	0	110.5	N378 Y382 N383 E384	N378-E380 VanDerWaalsContact C-N 3.34Å; N378-E380 PolarHBondContact O-N 3.26Å; N378-E380 PolarHBondContact OD1-N 2.77Å; N378-E380 VanDerWaalsContact OD1-N 3.1Å; E380-Y382 VanDerWaalsContact C-N 3.3Å; E380-Y382 PolarHBondContact O-N 2.82Å; E380-N383 PolarHBondContact O-N 3.06Å; E380-E384 WeakPolarHBondContact O-CB 3.39Å; E380-E384 PolarHBondContact O-N 2.91Å
381	D	86.2	Confident	77.4	Confident	14 Å²	14	83 Å²	83	8%	0.075	42%	0.419	C	S	.	.	H	α-helix	trans	-63.2	-39.6	176.8	-71.6	-16.3	0	0	0	111.3	K52 I56 N378 E384 I385	K52-D381 WeakPolarHBondContact CD-OD2 3.42Å; K52-D381 IonicContact NZ-OD1 3.61Å; K52-D381 PolarHBondContact NZ-OD1 3.28Å; I56-D381 HydrophobicContact CG1-CB 4.15Å; I56-D381 HydrophobicContact CG2-CB 4.38Å; N378-D381 HydrophobicContact CB-CB 4.21Å; N378-D381 PolarHBondContact ND2-OD2 2.95Å; N378-D381 PolarHBondContact OD1-N 2.83Å; D381-E384 PolarHBondContact O-N 3.45Å; D381-I385 HydrophobicContact CB-CD1 4.5Å; D381-I385 WeakPolarHBondContact O-CB 3.42Å; D381-I385 WeakPolarHBondContact O-CD1 3.4Å; D381-I385 WeakPolarHBondContact O-CG1 3.31Å; D381-I385 PolarHBondContact O-N 3.01Å
382	Y	89.3	Confident	77.3	Confident	15 Å²	15	83.1 Å²	83.1	6%	0.059	42%	0.424	C	S	.	.	H	α-helix	trans	-59.5	-49.6	176	170.7	-105.6	0	0	0	112	M57 L92 E93 A95 I376 N378 E380 E384 I385 F386 Q387	M57-Y382 HydrophobicContact CE-CD2 3.16Å; M57-Y382 HydrophobicContact CE-CE2 3.25Å; M57-Y382 HydrophobicContact CE-CG 4.41Å; L92-Y382 WeakPolarHBondContact O-CE2 3.45Å; E93-Y382 PolarHBondContact O-OH 2.93Å; A95-Y382 HydrophobicContact CB-CE2 4.18Å; I376-Y382 HydrophobicContact CD1-CD1 3.83Å; I376-Y382 HydrophobicContact CD1-CD2 4.45Å; I376-Y382 HydrophobicContact CD1-CE1 3.59Å; I376-Y382 HydrophobicContact CD1-CE2 4.28Å; I376-Y382 HydrophobicContact CD1-CG 4.23Å; I376-Y382 HydrophobicContact CG1-CD2 4.48Å; I376-Y382 HydrophobicContact CG1-CG 4.43Å; I376-Y382 HydrophobicContact CG2-CD1 4.25Å; I376-Y382 HydrophobicContact CG2-CG 4Å; N378-Y382 WeakPolarHBondContact O-CB 3.42Å; N378-Y382 PolarHBondContact O-N 3.27Å; E380-Y382 VanDerWaalsContact C-N 3.3Å; E380-Y382 PolarHBondContact O-N 2.82Å; Y382-E384 VanDerWaalsContact C-N 3.31Å; Y382-E384 PolarHBondContact O-N 2.88Å; Y382-I385 PolarHBondContact O-N 3.04Å; Y382-F386 HydrophobicContact CD2-CB 4.24Å; Y382-F386 AromaticContact CD2-CD2 3.62Å; Y382-F386 HydrophobicContact CD2-CD2 3.62Å; Y382-F386 HydrophobicContact CD2-CE2 4.45Å; Y382-F386 HydrophobicContact CD2-CG 4.32Å; Y382-F386 HydrophobicContact CE2-CB 4.05Å; Y382-F386 HydrophobicContact CE2-CD2 4.07Å; Y382-F386 HydrophobicContact CE2-CG 4.37Å; Y382-F386 PolarHBondContact O-N 3.36Å; Y382-Q387 HydrophobicContact CE1-CG 4.43Å
383	N	87.3	Confident	76.8	Confident	69 Å²	69	85.7 Å²	85.7	37%	0.369	44%	0.442	S	S	.	.	H	α-helix	trans	-68.1	-32	178.7	-68.8	-29.1	0	0	0	112.1	A379 E380 Q387	A379-N383 WeakPolarHBondContact O-CB 3.24Å; A379-N383 PolarHBondContact O-N 3.49Å; A379-N383 PolarHBondContact O-ND2 3.33Å; E380-N383 PolarHBondContact O-N 3.06Å; N383-Q387 WeakPolarHBondContact O-CB 3.34Å; N383-Q387 PolarHBondContact O-N 3.46Å; N383-Q387 PolarHBondContact OD1-NE2 2.86Å
384	E	85.7	Confident	75.7	Confident	101 Å²	101	88.8 Å²	88.8	47%	0.472	45%	0.453	S	S	.	.	H	α-helix	trans	-66.9	-40.4	176.9	-177.2	179.4	-162.5	0	0	112.4	K52 E380 D381 Y382	K52-E384 IonicContact NZ-OE2 3.32Å; K52-E384 PolarHBondContact NZ-OE2 3.4Å; E380-E384 WeakPolarHBondContact O-CB 3.39Å; E380-E384 PolarHBondContact O-N 2.91Å; D381-E384 PolarHBondContact O-N 3.45Å; Y382-E384 VanDerWaalsContact C-N 3.31Å; Y382-E384 PolarHBondContact O-N 2.88Å
385	I	83.3	Confident	73.5	Confident	68 Å²	68	92.4 Å²	92.4	35%	0.349	47%	0.474	S	S	.	.	H	α-helix	trans	-90.7	-45.9	-171.2	-63.6	167.3	0	0	0	111.6	I56 D381 Y382	I56-I385 HydrophobicContact CD1-CD1 3.5Å; I56-I385 HydrophobicContact CG1-CD1 4.34Å; D381-I385 HydrophobicContact CB-CD1 4.5Å; D381-I385 WeakPolarHBondContact O-CB 3.42Å; D381-I385 WeakPolarHBondContact O-CD1 3.4Å; D381-I385 WeakPolarHBondContact O-CG1 3.31Å; D381-I385 PolarHBondContact O-N 3.01Å; Y382-I385 PolarHBondContact O-N 3.04Å
386	F	86.5	Confident	71.1	Confident	20 Å²	20	93.7 Å²	93.7	9%	0.088	49%	0.489	C	S	.	.	H	α-helix	trans	-108.2	-16.2	-167.5	-60	-71	0	0	0	114.5	L35 I56 M57 L92 Y382	L35-F386 HydrophobicContact CD1-CZ 3.88Å; L35-F386 HydrophobicContact CD2-CE1 4.14Å; L35-F386 HydrophobicContact CD2-CZ 3.99Å; I56-F386 HydrophobicContact CG2-CE2 4.11Å; M57-F386 HydrophobicContact CE-CD2 3.94Å; M57-F386 HydrophobicContact CE-CE2 3.88Å; L92-F386 HydrophobicContact CB-CD1 3.71Å; L92-F386 HydrophobicContact CB-CE1 3.65Å; L92-F386 HydrophobicContact CB-CG 4.44Å; L92-F386 HydrophobicContact CB-CZ 4.31Å; L92-F386 HydrophobicContact CD1-CE1 3.67Å; L92-F386 HydrophobicContact CD1-CZ 4.1Å; L92-F386 HydrophobicContact CG-CE1 4.27Å; Y382-F386 HydrophobicContact CD2-CB 4.24Å; Y382-F386 AromaticContact CD2-CD2 3.62Å; Y382-F386 HydrophobicContact CD2-CD2 3.62Å; Y382-F386 HydrophobicContact CD2-CE2 4.45Å; Y382-F386 HydrophobicContact CD2-CG 4.32Å; Y382-F386 HydrophobicContact CE2-CB 4.05Å; Y382-F386 HydrophobicContact CE2-CD2 4.07Å; Y382-F386 HydrophobicContact CE2-CG 4.37Å; Y382-F386 PolarHBondContact O-N 3.36Å
387	Q	81.6	Confident	69	Low	97 Å²	97	96 Å²	96	45%	0.453	51%	0.509	S	S	.	.	S	Bend	trans	-91.6	139.3	178.2	-70	-153	5.9	0	0	113.1	Y382 N383 K389	Y382-Q387 HydrophobicContact CE1-CG 4.43Å; N383-Q387 WeakPolarHBondContact O-CB 3.34Å; N383-Q387 PolarHBondContact O-N 3.46Å; N383-Q387 PolarHBondContact OD1-NE2 2.86Å; Q387-K389 PolarHBondContact O-N 3.27Å
388	P	67	Low	67	Low	84 Å²	84	101.8 Å²	101.8	55%	0.545	53%	0.526	S	S	.	.			trans	-64.4	121.3	179.9	23.8	-32	0	0	0	110.8	E93 N390	E93-P388 WeakPolarHBondContact OE1-CD 3.39Å; P388-N390 PolarHBondContact O-N 2.86Å; P388-N390 VanDerWaalsContact O-N 3.09Å
389	K	64.1	Low	65.3	Low	143 Å²	143	110.7 Å²	110.7	62%	0.622	56%	0.558	S	S	*	*			trans	-73.2	101.9	170.9	-66.1	-179.7	-177.8	174.5	0	108.2	Q387 S391	Q387-K389 PolarHBondContact O-N 3.27Å; K389-S391 PolarHBondContact O-N 2.83Å
390	N	49.3	Very low	64.3	Low	163 Å²	163	110.2 Å²	110.2	87%	0.872	55%	0.551	S	S	*	*			trans	-61.3	8.6	175.1	-80.1	-19.3	0	0	0	114.8	P388	P388-N390 PolarHBondContact O-N 2.86Å; P388-N390 VanDerWaalsContact O-N 3.09Å
391	S	50.6	Low	63.8	Low	85 Å²	85	110.1 Å²	110.1	59%	0.594	55%	0.551	S	S	*	*			trans	-91.1	113.4	177.2	59.9	0	0	0	0	111	K389 S393	K389-S391 PolarHBondContact O-N 2.83Å; S391-S393 VanDerWaalsContact C-N 3.35Å; S391-S393 PolarHBondContact O-N 2.92Å
392	I	46.8	Very low	63.7	Low	161 Å²	161	113 Å²	113	83%	0.826	57%	0.57	S	S	*	*			trans	-64.8	95.5	166	-61.6	166.6	0	0	0	108	R394	I392-R394 PolarHBondContact O-N 3.2Å
393	S	46.5	Very low	63.6	Low	70 Å²	70	112.7 Å²	112.7	49%	0.49	57%	0.569	S	S	.	*			trans	-74.2	115.1	170	169.5	0	0	0	0	108.8	S391 T395	S391-S393 VanDerWaalsContact C-N 3.35Å; S391-S393 PolarHBondContact O-N 2.92Å; S393-T395 PolarHBondContact O-N 3.4Å; S393-T395 PolarHBondContact OG-N 3Å; S393-T395 PolarHBondContact OG-O 2.59Å; S393-T395 PolarHBondContact OG-OG1 3.21Å
394	R	44.6	Very low	63.4	Low	249 Å²	249	114.7 Å²	114.7	94%	0.94	59%	0.586	S	S	*	*	S	Bend	trans	-73.9	-2.2	171.6	-64.4	-176.5	179.7	-171.6	0.2	113	I392	I392-R394 PolarHBondContact O-N 3.2Å
395	T	39.7	Very low	63.3	Low	95 Å²	95	111.3 Å²	111.3	58%	0.583	58%	0.575	S	S	*	*	S	Bend	trans	-100.9	142.7	172.3	33.8	0	0	0	0	110	S393	S393-T395 PolarHBondContact O-N 3.4Å; S393-T395 PolarHBondContact OG-N 3Å; S393-T395 PolarHBondContact OG-O 2.59Å; S393-T395 PolarHBondContact OG-OG1 3.21Å
396	P	39.5	Very low	63.5	Low	108 Å²	108	110.2 Å²	110.2	70%	0.701	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-48.6	144.1	171.2	-21.8	30.5	0	0	0	110.3	R398	P396-R398 PolarHBondContact O-N 2.84Å
397	P	45.8	Very low	63.4	Low	122 Å²	122	113 Å²	113	79%	0.792	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-51.8	128.1	175.3	20.5	-30.1	0	0	0	108.7	R399	P397-R399 PolarHBondContact O-N 2.91Å; P397-R399 VanDerWaalsContact O-N 3.17Å
398	R	47	Very low	63.1	Low	232 Å²	232	112.7 Å²	112.7	88%	0.875	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.7	123	179.1	-70.6	-174.3	179.1	-172.5	0.1	107.5	P396 S400	P396-R398 PolarHBondContact O-N 2.84Å; R398-S400 PolarHBondContact O-N 3.23Å
399	R	54.3	Low	63.3	Low	217 Å²	217	114.8 Å²	114.8	82%	0.819	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-57.3	135.5	165.9	-70.2	-172.8	-179.9	-150	0	106.9	P397 E401	P397-R399 PolarHBondContact O-N 2.91Å; P397-R399 VanDerWaalsContact O-N 3.17Å; R399-E401 PolarHBondContact O-N 3.13Å
400	S	67.2	Low	62.3	Low	45 Å²	45	115.8 Å²	115.8	32%	0.315	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-60.6	139.4	178.3	74.4	0	0	0	0	109.2	R34 N282 R398	R34-S400 PolarHBondContact NE-OG 3.03Å; R34-S400 PolarHBondContact NH2-OG 2.91Å; R34-S400 VanDerWaalsContact NH2-OG 3.12Å; N282-S400 PolarHBondContact ND2-O 3.21Å; N282-S400 PolarHBondContact ND2-OG 3.2Å; N282-S400 VanDerWaalsContact ND2-OG 3.09Å; R398-S400 PolarHBondContact O-N 3.23Å
401	E	78.4	Confident	62	Low	155 Å²	155	113.2 Å²	113.2	72%	0.724	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-75.2	132.3	-173.6	-69.6	179.1	178.6	0	0	111.2	R34 R399	R34-E401 PolarHBondContact NH2-O 2.59Å; R399-E401 PolarHBondContact O-N 3.13Å
402	P	83.9	Confident	61.2	Low	75 Å²	75	113 Å²	113	49%	0.487	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-51.1	147.2	177.4	-23.5	31.6	0	0	0	112.5	N282	N282-P402 HydrophobicContact CB-CG 4.07Å
403	F	86.8	Confident	60.3	Low	7 Å²	7	112.1 Å²	112.1	3%	0.031	62%	0.617	C	S	.	*	P	Polyproline II helix	trans	-65	126.8	173.6	-65.7	-70.7	0	0	0	109.4	W11 L13 R34 I50 N51 Q284 I286 V299 A405	W11-F403 HydrophobicContact CZ2-CB 4.34Å; W11-F403 WeakPolarHBondContact CZ2-O 3.45Å; L13-F403 HydrophobicContact CD1-CB 4.24Å; L13-F403 HydrophobicContact CD1-CD1 3.89Å; L13-F403 HydrophobicContact CD1-CG 4.15Å; L13-F403 HydrophobicContact CD2-CD1 3.79Å; L13-F403 HydrophobicContact CD2-CD2 4.17Å; L13-F403 HydrophobicContact CD2-CE1 3.77Å; L13-F403 HydrophobicContact CD2-CE2 4.14Å; L13-F403 HydrophobicContact CD2-CG 3.99Å; L13-F403 HydrophobicContact CD2-CZ 3.93Å; R34-F403 HydrophobicContact CG-CZ 4.37Å; I50-F403 HydrophobicContact CB-CZ 4.22Å; I50-F403 HydrophobicContact CG2-CE1 4.25Å; I50-F403 HydrophobicContact CG2-CE2 4.18Å; I50-F403 HydrophobicContact CG2-CZ 3.61Å; N51-F403 HydrophobicContact CB-CD1 4.26Å; N51-F403 HydrophobicContact CB-CE1 3.6Å; Q284-F403 PolarHBondContact NE2-O 2.83Å; I286-F403 HydrophobicContact CD1-CD2 4.4Å; I286-F403 HydrophobicContact CD1-CE2 3.78Å; I286-F403 HydrophobicContact CG1-CE2 4.43Å; V299-F403 HydrophobicContact CG2-CB 4.19Å; V299-F403 HydrophobicContact CG2-CD2 3.86Å; V299-F403 HydrophobicContact CG2-CG 4.21Å; F403-A405 PolarHBondContact O-N 2.92Å
404	P	83.7	Confident	59.7	Low	111 Å²	111	113.9 Å²	113.9	72%	0.721	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-66.4	131.4	-175.8	25.2	-32.7	0	0	0	110.8
405	A	84	Confident	59.1	Low	31 Å²	31	111.5 Å²	111.5	26%	0.256	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-77.2	132.7	176.5	0	0	0	0	0	110.4	T7 W11 F403	T7-A405 HydrophobicContact CG2-CB 4.29Å; W11-A405 HydrophobicContact CE3-CB 4.23Å; W11-A405 HydrophobicContact CH2-CB 3.57Å; W11-A405 HydrophobicContact CZ2-CB 4.1Å; W11-A405 HydrophobicContact CZ3-CB 3.64Å; F403-A405 PolarHBondContact O-N 2.92Å
406	P	87.2	Confident	58.6	Low	45 Å²	45	116 Å²	116	29%	0.292	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-68.4	150	173.5	27.3	-32.1	0	0	0	111.1	T7 K8 W11	T7-P406 WeakPolarHBondContact CA-O 3.48Å; T7-P406 WeakPolarHBondContact CB-O 3.14Å; K8-P406 HydrophobicContact CB-CG 4.42Å; K8-P406 HydrophobicContact CD-CG 4.19Å; K8-P406 PolarHBondContact N-O 3.21Å; K8-P406 VanDerWaalsContact N-O 3.07Å; W11-P406 HydrophobicContact CB-CG 3.89Å; W11-P406 HydrophobicContact CD2-CG 4.31Å; W11-P406 HydrophobicContact CG-CG 3.87Å
407	P	82.9	Confident	58.1	Low	77 Å²	77	115.9 Å²	115.9	50%	0.5	66%	0.655	S	S	.	*	B	Isolated β-bridge	trans	-60.9	149.2	173.5	26.1	-32.9	0	0	0	111.1	V5 K8	V5-P407 HydrophobicContact CG1-CB 3.95Å; K8-P407 WeakPolarHBondContact CE-O 2.95Å
408	E	76.6	Confident	57.2	Low	92 Å²	92	114.9 Å²	114.9	43%	0.43	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-71.2	130.7	168.1	-69.9	-167.4	163.9	0	0	109.2	V6 K8 D410	V6-E408 HydrophobicContact CB-CB 4.45Å; V6-E408 HydrophobicContact CB-CG 4.44Å; V6-E408 VanDerWaalsContact CG1-CD 3.5Å; V6-E408 HydrophobicContact CG1-CG 4.13Å; V6-E408 WeakPolarHBondContact CG1-OE2 3.42Å; V6-E408 PolarHBondContact O-N 3.13Å; K8-E408 HydrophobicContact CG-CG 3.87Å; E408-D410 PolarHBondContact O-N 2.87Å
409	D	70.6	Confident	56.3	Low	127 Å²	127	113.4 Å²	113.4	68%	0.679	66%	0.657	S	S	*	*			trans	-73.8	114	174.2	-62.8	-62.7	0	0	0	107.8	K8 A411	K8-D409 IonicContact NZ-OD2 2.84Å; K8-D409 PolarHBondContact NZ-OD2 3.4Å; D409-A411 PolarHBondContact O-N 2.97Å
410	D	43.3	Very low	55.1	Low	165 Å²	165	109.2 Å²	109.2	88%	0.882	66%	0.658	S	S	*	*			trans	-59.2	107.8	169	-93.3	-27.7	0	0	0	108.2	E408 A412	E408-D410 PolarHBondContact O-N 2.87Å; D410-A412 PolarHBondContact O-N 2.79Å
411	A	42.3	Very low	53.1	Low	108 Å²	108	112.1 Å²	112.1	89%	0.893	68%	0.678	S	S	*	*			trans	-67.8	92.3	177.9	0	0	0	0	0	110.1	D409	D409-A411 PolarHBondContact O-N 2.97Å
412	A	34.5	Very low	50.5	Low	82 Å²	82	110 Å²	110	68%	0.678	68%	0.68	S	S	*	*			trans	-147.3	83.7	165.3	0	0	0	0	0	112	D410	D410-A412 PolarHBondContact O-N 2.79Å
413	T	28	Very low	47.9	Very low	141 Å²	141	111 Å²	111	87%	0.865	70%	0.695	S	S	*	*			trans	139.5	86.5	136.5	50.5	0	0	0	0	112.7	K415	T413-K415 PolarHBondContact O-N 3.39Å
414	A	34	Very low	45	Very low	108 Å²	108	119.9 Å²	119.9	89%	0.893	74%	0.739	S	S	*	*			trans	-61.1	115.3	150.5	0	0	0	0	0	108.7
415	K	31.9	Very low	42.3	Very low	198 Å²	198	122.1 Å²	122.1	86%	0.861	75%	0.745	S	S	*	*			trans	-109.4	104.9	153.9	-96.7	-171.9	175.4	-178.4	0	108.6	T413	T413-K415 PolarHBondContact O-N 3.39Å
416	E	28.8	Very low	39.7	Very low	189 Å²	189	127 Å²	127	88%	0.883	77%	0.771	S	S	*	*			trans	25.5	122.5	144.8	-97.4	172.1	148.1	0	0	119.9
417	A	29.9	Very low	36.8	Very low	107 Å²	107	133.5 Å²	133.5	88%	0.884	80%	0.798	S	S	*	*			trans	-58.1	135.4	166.3	0	0	0	0	0	113
418	A	26.6	Very low	34.2	Very low	100 Å²	100	139.3 Å²	139.3	83%	0.826	82%	0.816	S	S	*	*			trans	-111.8	128.1	153.5	0	0	0	0	0	108.9
419	K	27.6	Very low	31.9	Very low	202 Å²	202	140.6 Å²	140.6	88%	0.878	83%	0.832	S	S	*	*			trans	-58.5	158.9	178.8	-88	175.8	174.3	176.2	0	113.1
420	P	28.1	Very low	30.2	Very low	129 Å²	129	140.9 Å²	140.9	84%	0.838	84%	0.838	S	S	*	*			trans	-81.1	136.8	-178.8	33.9	-32	0	0	0	111.1
421	S	25	Very low	29.8	Very low	106 Å²	106	138.9 Å²	138.9	74%	0.741	83%	0.834	S	S	*	*			trans	-136.4	121.3	164.2	62.9	0	0	0	0	111.5
422	S	25.4	Very low	29.1	Very low	110 Å²	110	141.2 Å²	141.2	77%	0.769	83%	0.831	S	S	*	*			trans	53.5	113.4	147.8	60.7	0	0	0	0	120.9
423	A	28.2	Very low	29.1	Very low	97 Å²	97	144.7 Å²	144.7	80%	0.802	84%	0.837	S	S	*	*			trans	12.4	124.1	137.6	0	0	0	0	0	119
424	M	26.7	Very low	29.1	Very low	192 Å²	192	147.2 Å²	147.2	95%	0.946	84%	0.839	S	S	*	*			trans	-152.5	131.5	137.2	-103.2	-179.8	-176.3	0	0	110.3
425	D	25.6	Very low	29.1	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	83%	0.832	S	S	*	*			trans	-56.4	139.3	174.5	-78	-54.6	0	0	0	113
426	V	31	Very low	29	Very low	132 Å²	132	146.4 Å²	146.4	80%	0.8	83%	0.833	S	S	*	*			trans	-137.6	109.4	154.3	-175.5	0	0	0	0	109.3
427	Q	24.8	Very low	29.2	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-64	137.4	171.3	-83.3	158.8	-48.1	0	0	112
428	F	28.3	Very low	29.4	Very low	199 Å²	199	148.8 Å²	148.8	87%	0.873	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-96.9	133	160.2	-78.6	-83	0	0	0	110
429	P	29.7	Very low	29.7	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-89	140.8	-177.4	30	-24.2	0	0	0	112.7
430	V	33.9	Very low	30	Very low	134 Å²	134	145.3 Å²	145.3	81%	0.812	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-86.5	138.6	167.8	-176.9	0	0	0	0	108.9
431	P	34.6	Very low	30.4	Very low	123 Å²	123	145.6 Å²	145.6	80%	0.799	81%	0.814	S	S	*	*			trans	-105.8	135.4	158.7	-0.9	21.5	0	0	0	112.7
432	N	29.1	Very low	30.7	Very low	157 Å²	157	147 Å²	147	84%	0.84	82%	0.818	S	S	*	*			trans	-63.7	156.7	-178.1	-92.7	-29.8	0	0	0	115.3
433	L	33.9	Very low	31	Very low	154 Å²	154	146.1 Å²	146.1	81%	0.806	82%	0.817	S	S	*	*			trans	-57.4	133.6	159.6	-81.8	87.8	0	0	0	111.6
434	E	28.8	Very low	31.1	Very low	194 Å²	194	147 Å²	147	91%	0.907	82%	0.817	S	S	*	*			trans	-128.9	130.9	151.9	-84.2	-172.1	161.6	0	0	110.7
435	V	33.3	Very low	31.5	Very low	123 Å²	123	144.3 Å²	144.3	75%	0.745	81%	0.812	S	S	*	*			trans	-101.9	129.2	-176.5	169.1	0	0	0	0	108.1
436	L	30.2	Very low	31.7	Very low	166 Å²	166	143 Å²	143	87%	0.869	81%	0.812	S	S	*	*			trans	-147.6	158.8	166.4	-86.8	-176.5	0	0	0	111.2
437	P	31.4	Very low	31.8	Very low	109 Å²	109	141.1 Å²	141.1	71%	0.708	81%	0.811	S	S	*	*				-114.8	167	-116.3	40	-34	0	0	0	115.9
438	R	35.2	Very low	32.3	Very low	237 Å²	237	138.7 Å²	138.7	89%	0.894	81%	0.811	S	S	*	*			trans	-66.5	147.2	169.1	-92.3	-176.7	-176.4	-179.3	1.6	112.7
439	P	32.5	Very low	32.5	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	81%	0.812	S	S	*	*				-141.6	-174.8	123.6	41.7	-27.2	0	0	0	111.8
440	P	35.1	Very low	32.7	Very low	116 Å²	116	138.4 Å²	138.4	75%	0.753	82%	0.816	S	S	*	*				-114.1	167.7	-79.7	32.3	-15.9	0	0	0	112.9
441	V	35	Very low	32.8	Very low	135 Å²	135	140.7 Å²	140.7	82%	0.818	82%	0.818	S	S	*	*			trans	-76.5	127.5	173.9	176.3	0	0	0	0	109.9
442	V	32	Very low	33.1	Very low	136 Å²	136	140.4 Å²	140.4	82%	0.824	82%	0.816	S	S	*	*			trans	-134.7	128.1	156.9	-175.4	0	0	0	0	108.5
443	A	31.2	Very low	33.3	Very low	91 Å²	91	137.5 Å²	137.5	75%	0.752	81%	0.814	S	S	*	*			trans	-74	142.2	-177.9	0	0	0	0	0	112.5
444	S	31.4	Very low	33.5	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	81%	0.814	S	S	*	*			trans	-155.3	122.7	144	49.3	0	0	0	0	111.6
445	T	33.4	Very low	34.2	Very low	135 Å²	135	135.7 Å²	135.7	83%	0.828	81%	0.808	S	S	*	*			trans	-13.8	136.1	161.1	-4.3	0	0	0	0	118.6
446	P	31.5	Very low	34.2	Very low	131 Å²	131	134.8 Å²	134.8	85%	0.851	81%	0.805	S	S	*	*			trans	-92.1	130.4	163.6	24.8	-12.8	0	0	0	112.4
447	A	32.8	Very low	34.4	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	80%	0.803	S	S	*	*			trans	-104.3	157.1	167.3	0	0	0	0	0	110.2
448	P	34.4	Very low	35	Very low	132 Å²	132	132.9 Å²	132.9	86%	0.857	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-87.1	140.3	-139	33.2	-34.5	0	0	0	113.9
449	K	32.9	Very low	35.2	Very low	207 Å²	207	132.4 Å²	132.4	90%	0.9	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-91.7	129.1	162.7	-82.3	-178.3	176.4	177.5	0	109.1
450	A	34.6	Very low	35.6	Very low	103 Å²	103	135 Å²	135	85%	0.851	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-59.9	138.4	-179.7	0	0	0	0	0	112.7
451	E	36.4	Very low	36.1	Very low	182 Å²	182	135.9 Å²	135.9	85%	0.85	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.5	140.9	177.2	-63.1	176.4	155.3	0	0	112
452	P	39	Very low	36.3	Very low	117 Å²	117	135.1 Å²	135.1	76%	0.76	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.8	131.7	153.1	30.8	-27.5	0	0	0	109.7	I454	P452-I454 PolarHBondContact O-N 2.88Å
453	A	34.3	Very low	37.3	Very low	97 Å²	97	137.3 Å²	137.3	80%	0.802	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-60.2	129.2	-178.9	0	0	0	0	0	112.5
454	I	37.5	Very low	37.9	Very low	156 Å²	156	135.2 Å²	135.2	80%	0.8	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-71.6	121.3	172.2	-63.7	161.9	0	0	0	108.7	P452	P452-I454 PolarHBondContact O-N 2.88Å
455	I	44.3	Very low	38.8	Very low	153 Å²	153	136.9 Å²	136.9	79%	0.785	80%	0.798	S	S	*	*			trans	-104.7	121	159.6	-57.2	174.8	0	0	0	106.4	A457	I455-A457 PolarHBondContact O-N 3.23Å; I455-A457 VanDerWaalsContact O-N 3.15Å
456	P	34	Very low	39.5	Very low	104 Å²	104	135.7 Å²	135.7	68%	0.675	78%	0.782	S	S	*	*			trans	-70	112.8	-178.3	-11.6	25.7	0	0	0	110.5	T458	P456-T458 PolarHBondContact O-N 2.85Å
457	A	34.4	Very low	40.2	Very low	100 Å²	100	133.4 Å²	133.4	83%	0.826	77%	0.773	S	S	*	*			trans	-89.7	86.7	170.3	0	0	0	0	0	109.7	I455 R459	I455-A457 PolarHBondContact O-N 3.23Å; I455-A457 VanDerWaalsContact O-N 3.15Å; A457-R459 PolarHBondContact O-N 2.87Å
458	T	43.7	Very low	41.1	Very low	136 Å²	136	132.7 Å²	132.7	83%	0.834	76%	0.763	S	S	*	*			trans	-84.8	91.7	162.6	42.3	0	0	0	0	108.5	P456	P456-T458 PolarHBondContact O-N 2.85Å
459	R	39.4	Very low	42.2	Very low	226 Å²	226	132.1 Å²	132.1	85%	0.853	75%	0.752	S	S	*	*			trans	-150.7	81.2	171.4	-139.1	173.6	173.8	-179.8	-2.7	112.8	A457	A457-R459 PolarHBondContact O-N 2.87Å
460	N	40.7	Very low	43.3	Very low	168 Å²	168	129.5 Å²	129.5	90%	0.898	74%	0.741	S	S	*	*			trans	-94.4	93.1	160.1	-80.6	-17.7	0	0	0	108.2
461	E	44.5	Very low	43.9	Very low	135 Å²	135	130.6 Å²	130.6	63%	0.631	73%	0.732	S	S	*	*	S	Bend	trans	-169	136.5	155.6	-111.2	178.2	-150	0	0	108.9	K466	E461-K466 IonicContact OE2-NZ 2.8Å; E461-K466 PolarHBondContact OE2-NZ 3.33Å
462	P	40.2	Very low	44.6	Very low	119 Å²	119	127.4 Å²	127.4	77%	0.773	73%	0.727	S	S	*	*			trans	-69.3	147.3	-179.4	28.1	-31.9	0	0	0	111.2	G464	P462-G464 VanDerWaalsContact C-N 3.28Å; P462-G464 PolarHBondContact O-N 3.02Å
463	I	51.9	Low	45	Very low	182 Å²	182	127 Å²	127	93%	0.933	73%	0.734	S	S	*	*			trans	-67.4	89.7	173.4	-67.9	159.1	0	0	0	107.9
464	G	44	Very low	45.5	Very low	48 Å²	48	128.4 Å²	128.4	50%	0.495	73%	0.732	S	S	.	*			trans	-111.8	128.9	165.6	0	0	0	0	0	108.4	P462 K466	P462-G464 VanDerWaalsContact C-N 3.28Å; P462-G464 PolarHBondContact O-N 3.02Å; G464-K466 PolarHBondContact O-N 2.87Å
465	L	50.8	Low	45.8	Very low	149 Å²	149	130.8 Å²	130.8	78%	0.78	74%	0.737	S	S	*	*			trans	-52.6	112.6	164.9	-84.9	139.6	0	0	0	108	F470	L465-F470 HydrophobicContact CD2-CE2 3.66Å; L465-F470 HydrophobicContact CD2-CZ 3.75Å
466	K	47.9	Very low	45.7	Very low	111 Å²	111	130.5 Å²	130.5	48%	0.483	74%	0.735	S	S	.	*			trans	-80.9	127	177.5	-66.9	-171.3	178.7	-176.3	0	107.3	E461 G464 S468 D469	E461-K466 IonicContact OE2-NZ 2.8Å; E461-K466 PolarHBondContact OE2-NZ 3.33Å; G464-K466 PolarHBondContact O-N 2.87Å; K466-S468 WeakPolarHBondContact CB-OG 3.22Å; K466-S468 PolarHBondContact O-N 2.86Å; K466-D469 WeakPolarHBondContact O-CB 3.45Å; K466-D469 PolarHBondContact O-N 2.87Å
467	A	47.5	Very low	46.4	Very low	82 Å²	82	131.1 Å²	131.1	68%	0.678	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-56.9	-20.9	179.3	0	0	0	0	0	113.2	D469 F470	A467-D469 PolarHBondContact O-N 2.83Å; A467-F470 PolarHBondContact O-N 3.42Å
468	S	51.1	Low	46.9	Very low	79 Å²	79	135 Å²	135	55%	0.552	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-64.2	-22.2	173.2	53.7	0	0	0	0	114.5	K466 F470	K466-S468 WeakPolarHBondContact CB-OG 3.22Å; K466-S468 PolarHBondContact O-N 2.86Å; S468-F470 PolarHBondContact O-N 2.87Å
469	D	58	Low	46.9	Very low	120 Å²	120	135.1 Å²	135.1	64%	0.642	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-75.5	-10.5	-178.3	-61.5	-15.6	0	0	0	112	K466 A467	K466-D469 WeakPolarHBondContact O-CB 3.45Å; K466-D469 PolarHBondContact O-N 2.87Å; A467-D469 PolarHBondContact O-N 2.83Å
470	F	55.5	Low	47.4	Very low	152 Å²	152	129.4 Å²	129.4	67%	0.667	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-110.5	6.5	-178.1	-64.1	-83.3	0	0	0	114.3	L465 A467 S468	L465-F470 HydrophobicContact CD2-CE2 3.66Å; L465-F470 HydrophobicContact CD2-CZ 3.75Å; A467-F470 PolarHBondContact O-N 3.42Å; S468-F470 PolarHBondContact O-N 2.87Å
471	L	46.6	Very low	47.7	Very low	126 Å²	126	129.8 Å²	129.8	66%	0.66	73%	0.729	S	S	*	*	S	Bend	trans	-113.9	137.8	178	-64.8	176.8	0	0	0	111.5
472	P	51	Low	48	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	73%	0.726	S	S	*	*			trans	-69.8	133.6	179.8	27.2	-32	0	0	0	111.3	V474	P472-V474 PolarHBondContact O-N 3.11Å
473	A	48.4	Very low	48.9	Very low	108 Å²	108	127.3 Å²	127.3	89%	0.893	72%	0.716	S	S	*	*			trans	-70.2	109.1	-176	0	0	0	0	0	112
474	V	43.3	Very low	49.6	Very low	127 Å²	127	124.9 Å²	124.9	77%	0.77	71%	0.705	S	S	*	*			trans	-124.3	127	168.4	-177.9	0	0	0	0	109.3	P472	P472-V474 PolarHBondContact O-N 3.11Å
475	K	43.6	Very low	50.9	Low	207 Å²	207	128.1 Å²	128.1	90%	0.9	71%	0.707	S	S	*	*			trans	-72.7	126.1	176	-68.6	180	177.1	178.8	0	109.6
476	I	43.3	Very low	52	Low	146 Å²	146	126.1 Å²	126.1	75%	0.749	70%	0.697	S	S	*	*			trans	-74.4	151.1	-175.5	-36.2	171.3	0	0	0	110
477	P	48.5	Very low	53.2	Low	118 Å²	118	122.8 Å²	122.8	77%	0.766	69%	0.69	S	S	*	*				-142.1	144.5	87.9	26.2	-4.6	0	0	0	114.8
478	Q	45.7	Very low	54.5	Low	181 Å²	181	123 Å²	123	85%	0.846	68%	0.678	S	S	*	*	S	Bend	trans	70.6	79.1	167.9	-60.9	176.3	-9.6	0	0	117.8
479	Q	42.4	Very low	55.7	Low	139 Å²	139	120.6 Å²	120.6	65%	0.65	66%	0.662	S	S	*	*			trans	-170.8	93.8	150.7	-108.6	166.8	10.7	0	0	108.5	L482	Q479-L482 HydrophobicContact CG-CD1 4.34Å
480	A	50.7	Low	56.5	Low	105 Å²	105	122 Å²	122	87%	0.868	66%	0.664	S	S	*	*	S	Bend	trans	-104	7.9	-169.4	0	0	0	0	0	115.2
481	E	47.5	Very low	57.5	Low	177 Å²	177	119.5 Å²	119.5	83%	0.827	66%	0.657	S	S	*	*	S	Bend	trans	-135.2	-9.1	179	-72.8	-175.3	157.9	0	0	115
482	L	50.7	Low	58.8	Low	110 Å²	110	118 Å²	118	58%	0.576	64%	0.642	S	S	*	*	S	Bend	trans	-94.1	-17.6	-175.3	-68.8	167	0	0	0	114.3	Q479 D486	Q479-L482 HydrophobicContact CG-CD1 4.34Å; L482-D486 PolarHBondContact O-N 2.79Å
483	V	58.5	Low	60	Low	91 Å²	91	119.4 Å²	119.4	55%	0.552	64%	0.637	S	S	*	*	H	α-helix	trans	-78.6	-33.5	-171.3	-177.8	0	0	0	0	113.1	A487	V483-A487 WeakPolarHBondContact O-CB 3.31Å; V483-A487 PolarHBondContact O-N 2.91Å
484	D	66.1	Low	61.4	Low	131 Å²	131	117.3 Å²	117.3	70%	0.701	63%	0.625	S	S	*	*	H	α-helix	trans	-70.4	-37.7	178.8	-93.1	-7	0	0	0	112	M488	D484-M488 WeakPolarHBondContact O-CB 3.42Å; D484-M488 WeakPolarHBondContact O-CG 3.36Å; D484-M488 PolarHBondContact O-N 2.93Å
485	E	70.8	Confident	63.4	Low	116 Å²	116	115.6 Å²	115.6	54%	0.542	61%	0.609	S	S	.	*	H	α-helix	trans	-68.5	-38.6	176.1	-95.3	-61.2	129.4	0	0	111.8	M488 S489 R492	E485-M488 PolarHBondContact O-N 3.34Å; E485-S489 WeakPolarHBondContact O-CB 3.38Å; E485-S489 PolarHBondContact O-N 3.03Å; E485-R492 VanDerWaalsContact CD-NH2 3.33Å; E485-R492 IonicContact OE1-NH2 2.7Å; E485-R492 PolarHBondContact OE1-NH2 3.47Å; E485-R492 VanDerWaalsContact OE1-NH2 3.12Å; E485-R492 IonicContact OE2-NH2 2.75Å; E485-R492 PolarHBondContact OE2-NH2 2.87Å
486	D	74.6	Confident	65.3	Low	108 Å²	108	109.5 Å²	109.5	58%	0.578	59%	0.586	S	S	*	*	H	α-helix	trans	-68.2	-42	175.7	-82.8	-16.3	0	0	0	111.8	L482 S489 Q490	L482-D486 PolarHBondContact O-N 2.79Å; D486-S489 PolarHBondContact O-N 3.28Å; D486-S489 PolarHBondContact O-OG 2.81Å; D486-Q490 WeakPolarHBondContact O-CG 3.37Å; D486-Q490 PolarHBondContact O-N 2.91Å
487	A	74.1	Confident	67.2	Low	40 Å²	40	108.2 Å²	108.2	33%	0.331	59%	0.586	S	S	.	*	H	α-helix	trans	-63	-45.4	174.2	0	0	0	0	0	111.7	V483 S489 Q490 I491	V483-A487 WeakPolarHBondContact O-CB 3.31Å; V483-A487 PolarHBondContact O-N 2.91Å; A487-S489 VanDerWaalsContact C-N 3.3Å; A487-S489 PolarHBondContact O-N 2.97Å; A487-Q490 PolarHBondContact O-N 2.91Å; A487-I491 WeakPolarHBondContact O-CG1 3.39Å; A487-I491 PolarHBondContact O-N 2.81Å
488	M	74.1	Confident	69	Low	87 Å²	87	107.4 Å²	107.4	43%	0.429	57%	0.572	S	S	.	*	H	α-helix	trans	-65.9	-33.1	175	-71.4	-63	-69.9	0	0	111.9	D484 E485 I491 R492	D484-M488 WeakPolarHBondContact O-CB 3.42Å; D484-M488 WeakPolarHBondContact O-CG 3.36Å; D484-M488 PolarHBondContact O-N 2.93Å; E485-M488 PolarHBondContact O-N 3.34Å; M488-I491 PolarHBondContact O-N 2.94Å; M488-I491 HydrophobicContact SD-CD1 4.43Å; M488-R492 VanDerWaalsContact O-CB 3.25Å; M488-R492 WeakPolarHBondContact O-CB 3.48Å; M488-R492 VanDerWaalsContact O-CG 3.22Å; M488-R492 WeakPolarHBondContact O-CG 3.47Å; M488-R492 PolarHBondContact O-N 2.77Å; M488-R492 PolarHBondContact O-NE 2.95Å
489	S	75.5	Confident	70.8	Confident	29 Å²	29	101.1 Å²	101.1	20%	0.203	55%	0.548	C	S	.	.	H	α-helix	trans	-66.1	-37.7	174.2	86.1	0	0	0	0	111.8	E485 D486 A487 K493	E485-S489 WeakPolarHBondContact O-CB 3.38Å; E485-S489 PolarHBondContact O-N 3.03Å; D486-S489 PolarHBondContact O-N 3.28Å; D486-S489 PolarHBondContact O-OG 2.81Å; A487-S489 VanDerWaalsContact C-N 3.3Å; A487-S489 PolarHBondContact O-N 2.97Å; S489-K493 WeakPolarHBondContact O-CB 3.45Å; S489-K493 VanDerWaalsContact O-CG 3.23Å; S489-K493 WeakPolarHBondContact O-CG 3.12Å; S489-K493 PolarHBondContact O-N 3.11Å
490	Q	74.7	Confident	73	Confident	148 Å²	148	99.4 Å²	99.4	69%	0.692	55%	0.547	S	S	*	.	H	α-helix	trans	-71.3	-40.4	176.8	-70.8	-161.3	4.3	0	0	112	D486 A487 K493 G494	D486-Q490 WeakPolarHBondContact O-CG 3.37Å; D486-Q490 PolarHBondContact O-N 2.91Å; A487-Q490 PolarHBondContact O-N 2.91Å; Q490-K493 PolarHBondContact O-N 2.86Å; Q490-G494 PolarHBondContact O-N 3.39Å
491	I	76.3	Confident	74.8	Confident	101 Å²	101	98.7 Å²	98.7	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-63.9	-43.4	173.9	-65.5	167.8	0	0	0	110.4	A487 M488 G494 H495	A487-I491 WeakPolarHBondContact O-CG1 3.39Å; A487-I491 PolarHBondContact O-N 2.81Å; M488-I491 PolarHBondContact O-N 2.94Å; M488-I491 HydrophobicContact SD-CD1 4.43Å; I491-G494 PolarHBondContact O-N 2.82Å; I491-H495 PolarHBondContact O-N 2.83Å; I491-H495 PolarHBondContact O-ND1 3.44Å
492	R	75.5	Confident	76.8	Confident	93 Å²	93	94.6 Å²	94.6	35%	0.351	52%	0.515	S	S	.	.	H	α-helix	trans	-59.7	-47.3	175.8	-79.8	-176.3	-78.2	-109.8	9.9	111.2	E485 M488 G494 H495 D496	E485-R492 VanDerWaalsContact CD-NH2 3.33Å; E485-R492 IonicContact OE1-NH2 2.7Å; E485-R492 PolarHBondContact OE1-NH2 3.47Å; E485-R492 VanDerWaalsContact OE1-NH2 3.12Å; E485-R492 IonicContact OE2-NH2 2.75Å; E485-R492 PolarHBondContact OE2-NH2 2.87Å; M488-R492 VanDerWaalsContact O-CB 3.25Å; M488-R492 WeakPolarHBondContact O-CB 3.48Å; M488-R492 VanDerWaalsContact O-CG 3.22Å; M488-R492 WeakPolarHBondContact O-CG 3.47Å; M488-R492 PolarHBondContact O-N 2.77Å; M488-R492 PolarHBondContact O-NE 2.95Å; R492-G494 VanDerWaalsContact C-N 3.26Å; R492-G494 PolarHBondContact O-N 2.75Å; R492-G494 VanDerWaalsContact O-N 3.16Å; R492-H495 CarbonylContact O-C 3.6Å; R492-H495 VanDerWaalsContact O-C 3.31Å; R492-H495 WeakPolarHBondContact O-CA 3.4Å; R492-H495 PolarHBondContact O-N 2.86Å; R492-D496 VanDerWaalsContact C-OD1 3.28Å; R492-D496 VanDerWaalsContact O-CG 3.29Å; R492-D496 PolarHBondContact O-N 3.43Å
493	K	75.3	Confident	78.6	Confident	145 Å²	145	92.8 Å²	92.8	63%	0.63	51%	0.508	S	S	*	.	H	α-helix	trans	-52.7	-39.5	177.4	-79.3	170.9	-176.5	173.5	0	114	S489 Q490 H495 D496	S489-K493 WeakPolarHBondContact O-CB 3.45Å; S489-K493 VanDerWaalsContact O-CG 3.23Å; S489-K493 WeakPolarHBondContact O-CG 3.12Å; S489-K493 PolarHBondContact O-N 3.11Å; Q490-K493 PolarHBondContact O-N 2.86Å; K493-H495 VanDerWaalsContact C-N 3.27Å; K493-H495 PolarHBondContact O-N 3.49Å; K493-D496 WeakPolarHBondContact CA-OD2 3.48Å
494	G	77.8	Confident	80.3	Confident	64 Å²	64	91.2 Å²	91.2	66%	0.66	50%	0.501	S	S	*	.	H	α-helix	trans	-71.8	-18.3	176.5	0	0	0	0	0	114.7	Q490 I491 R492	Q490-G494 PolarHBondContact O-N 3.39Å; I491-G494 PolarHBondContact O-N 2.82Å; R492-G494 VanDerWaalsContact C-N 3.26Å; R492-G494 PolarHBondContact O-N 2.75Å; R492-G494 VanDerWaalsContact O-N 3.16Å
495	H	86.1	Confident	81.6	Confident	91 Å²	91	87.8 Å²	87.8	42%	0.421	48%	0.479	S	S	.	.	H	α-helix	trans	-120.7	6.6	-174.6	-62.8	94.8	0	0	0	113.4	I491 R492 K493 T497 M498 C499	I491-H495 PolarHBondContact O-N 2.83Å; I491-H495 PolarHBondContact O-ND1 3.44Å; R492-H495 CarbonylContact O-C 3.6Å; R492-H495 VanDerWaalsContact O-C 3.31Å; R492-H495 WeakPolarHBondContact O-CA 3.4Å; R492-H495 PolarHBondContact O-N 2.86Å; K493-H495 VanDerWaalsContact C-N 3.27Å; K493-H495 PolarHBondContact O-N 3.49Å; H495-T497 PolarHBondContact O-N 3.18Å; H495-T497 VanDerWaalsContact O-N 3.13Å; H495-M498 HydrophobicContact CB-CE 4.1Å; H495-M498 CarbonylContact O-C 3.57Å; H495-M498 WeakPolarHBondContact O-CA 3.31Å; H495-M498 WeakPolarHBondContact O-CB 3.39Å; H495-M498 PolarHBondContact O-N 3.05Å; H495-C499 PolarHBondContact O-N 3.07Å
496	D	82.8	Confident	82.7	Confident	80 Å²	80	87.5 Å²	87.5	43%	0.428	48%	0.477	S	S	.	.	H	α-helix	trans	-53.5	-42.2	-172.1	-83	-21.5	0	0	0	111.9	R492 K493 M498 C499 V500	R492-D496 VanDerWaalsContact C-OD1 3.28Å; R492-D496 VanDerWaalsContact O-CG 3.29Å; R492-D496 PolarHBondContact O-N 3.43Å; K493-D496 WeakPolarHBondContact CA-OD2 3.48Å; D496-M498 PolarHBondContact O-N 3.37Å; D496-C499 PolarHBondContact O-N 3.15Å; D496-V500 VanDerWaalsContact O-CG2 3.29Å; D496-V500 WeakPolarHBondContact O-CG2 3.35Å; D496-V500 PolarHBondContact O-N 2.66Å
497	T	83.6	Confident	83.7	Confident	119 Å²	119	88.9 Å²	88.9	73%	0.73	48%	0.478	S	S	*	.	H	α-helix	trans	-62.7	-42.2	176.6	-48.1	0	0	0	0	112.3	H495 V501	H495-T497 PolarHBondContact O-N 3.18Å; H495-T497 VanDerWaalsContact O-N 3.13Å; T497-V501 VanDerWaalsContact O-CG2 3.3Å; T497-V501 WeakPolarHBondContact O-CG2 3.49Å; T497-V501 PolarHBondContact O-N 3.38Å; T497-V501 VanDerWaalsContact O-N 3.08Å
498	M	85.9	Confident	84.7	Confident	100 Å²	100	88.8 Å²	88.8	49%	0.493	47%	0.472	S	S	.	.	H	α-helix	trans	-67.3	-43.2	176.5	-177.3	-180	70.7	0	0	110.9	H495 D496 V500 V501 L502	H495-M498 HydrophobicContact CB-CE 4.1Å; H495-M498 CarbonylContact O-C 3.57Å; H495-M498 WeakPolarHBondContact O-CA 3.31Å; H495-M498 WeakPolarHBondContact O-CB 3.39Å; H495-M498 PolarHBondContact O-N 3.05Å; D496-M498 PolarHBondContact O-N 3.37Å; M498-V500 PolarHBondContact O-N 2.96Å; M498-V501 PolarHBondContact O-N 3.03Å; M498-L502 HydrophobicContact CG-CD1 3.8Å; M498-L502 HydrophobicContact CG-CG 4.21Å; M498-L502 WeakPolarHBondContact O-CB 3.32Å; M498-L502 WeakPolarHBondContact O-CG 3.45Å; M498-L502 PolarHBondContact O-N 3.32Å; M498-L502 HydrophobicContact SD-CD1 4.37Å
499	C	84.1	Confident	85.7	Confident	49 Å²	49	87.1 Å²	87.1	33%	0.331	46%	0.464	S	S	.	.	H	α-helix	trans	-59.2	-46.5	176.4	-70.1	0	0	0	0	110.9	H495 D496 V501 L502 T503	H495-C499 PolarHBondContact O-N 3.07Å; D496-C499 PolarHBondContact O-N 3.15Å; C499-V501 PolarHBondContact O-N 3.02Å; C499-L502 PolarHBondContact O-N 3.44Å; C499-T503 VanDerWaalsContact O-CB 3.25Å; C499-T503 WeakPolarHBondContact O-CB 3.47Å; C499-T503 PolarHBondContact O-N 3.48Å; C499-T503 PolarHBondContact O-OG1 2.91Å
500	V	88.2	Confident	86.6	Confident	103 Å²	103	88.8 Å²	88.8	62%	0.624	47%	0.471	S	S	*	.	H	α-helix	trans	-60	-45.7	176.6	170.7	0	0	0	0	111.5	D496 M498 S504	D496-V500 VanDerWaalsContact O-CG2 3.29Å; D496-V500 WeakPolarHBondContact O-CG2 3.35Å; D496-V500 PolarHBondContact O-N 2.66Å; M498-V500 PolarHBondContact O-N 2.96Å; V500-S504 VanDerWaalsContact O-CB 3.3Å; V500-S504 WeakPolarHBondContact O-CB 3.47Å; V500-S504 PolarHBondContact O-N 3.32Å
501	V	88.5	Confident	87.5	Confident	90 Å²	90	85.4 Å²	85.4	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-63.5	-46.6	178.3	171.6	0	0	0	0	111.4	T497 M498 C499 S504 R505	T497-V501 VanDerWaalsContact O-CG2 3.3Å; T497-V501 WeakPolarHBondContact O-CG2 3.49Å; T497-V501 PolarHBondContact O-N 3.38Å; T497-V501 VanDerWaalsContact O-N 3.08Å; M498-V501 PolarHBondContact O-N 3.03Å; C499-V501 PolarHBondContact O-N 3.02Å; V501-S504 PolarHBondContact O-N 2.94Å; V501-R505 WeakPolarHBondContact O-CB 3.37Å; V501-R505 PolarHBondContact O-N 3.44Å
502	L	89.4	Confident	88.4	Confident	91 Å²	91	80.8 Å²	80.8	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-68.1	-40	180	-70.5	176.6	0	0	0	112	M498 C499 R505 H506	M498-L502 HydrophobicContact CG-CD1 3.8Å; M498-L502 HydrophobicContact CG-CG 4.21Å; M498-L502 WeakPolarHBondContact O-CB 3.32Å; M498-L502 WeakPolarHBondContact O-CG 3.45Å; M498-L502 PolarHBondContact O-N 3.32Å; M498-L502 HydrophobicContact SD-CD1 4.37Å; C499-L502 PolarHBondContact O-N 3.44Å; L502-R505 PolarHBondContact O-N 3.29Å; L502-H506 VanDerWaalsContact O-CB 3.23Å; L502-H506 WeakPolarHBondContact O-CB 3.44Å; L502-H506 PolarHBondContact O-N 3.1Å
503	T	89.8	Confident	89.2	Confident	72 Å²	72	84.4 Å²	84.4	44%	0.442	45%	0.451	S	S	.	.	H	α-helix	trans	-65	-40.3	174.8	-59.9	0	0	0	0	111.1	C499 H506 K507	C499-T503 VanDerWaalsContact O-CB 3.25Å; C499-T503 WeakPolarHBondContact O-CB 3.47Å; C499-T503 PolarHBondContact O-N 3.48Å; C499-T503 PolarHBondContact O-OG1 2.91Å; T503-H506 PolarHBondContact O-N 2.92Å; T503-K507 WeakPolarHBondContact O-CG 3.36Å; T503-K507 PolarHBondContact O-N 3.36Å
504	S	92.4	Very high	90	Very high	58 Å²	58	80.1 Å²	80.1	41%	0.406	44%	0.442	S	S	.	.	H	α-helix	trans	-63.7	-47.9	174.2	-171.1	0	0	0	0	111.5	V500 V501 H506 K507 N508	V500-S504 VanDerWaalsContact O-CB 3.3Å; V500-S504 WeakPolarHBondContact O-CB 3.47Å; V500-S504 PolarHBondContact O-N 3.32Å; V501-S504 PolarHBondContact O-N 2.94Å; S504-H506 VanDerWaalsContact C-N 3.31Å; S504-H506 PolarHBondContact O-N 2.89Å; S504-K507 PolarHBondContact O-N 2.79Å; S504-N508 VanDerWaalsContact O-CG 3.31Å; S504-N508 PolarHBondContact O-N 3.14Å
505	R	94.4	Very high	90.6	Very high	59 Å²	59	79.1 Å²	79.1	22%	0.223	42%	0.423	C	S	.	.	H	α-helix	trans	-61.6	-39.8	177.5	-171.7	177.5	-177.1	172.3	7.2	111.7	V501 L502 N508 L509 S535 V536 D539	V501-R505 WeakPolarHBondContact O-CB 3.37Å; V501-R505 PolarHBondContact O-N 3.44Å; L502-R505 PolarHBondContact O-N 3.29Å; R505-N508 PolarHBondContact O-N 2.65Å; R505-L509 HydrophobicContact CG-CD1 4.15Å; R505-L509 WeakPolarHBondContact O-CB 3.25Å; R505-L509 VanDerWaalsContact O-CG 3.32Å; R505-L509 WeakPolarHBondContact O-CG 3.5Å; R505-L509 PolarHBondContact O-N 2.9Å; R505-S535 WeakPolarHBondContact CD-OG 3.22Å; R505-S535 PolarHBondContact NE-OG 3.38Å; R505-S535 PolarHBondContact NH2-O 2.94Å; R505-V536 HydrophobicContact CG-CG2 4.31Å; R505-D539 IonicContact CZ-OD1 3.66Å; R505-D539 IonicContact CZ-OD2 3.33Å; R505-D539 IonicContact NE-OD1 2.92Å; R505-D539 IonicContact NE-OD2 3.49Å; R505-D539 PolarHBondContact NE-OD2 2.83Å; R505-D539 IonicContact NH2-OD1 3.54Å; R505-D539 PolarHBondContact NH2-OD1 2.82Å; R505-D539 IonicContact NH2-OD2 2.65Å; R505-D539 PolarHBondContact NH2-OD2 2.9Å
506	H	93.8	Very high	90.8	Very high	111 Å²	111	78.9 Å²	78.9	51%	0.514	42%	0.419	S	S	.	.	H	α-helix	trans	-62.3	-47.6	176.1	-177.1	45.9	0	0	0	111.9	L502 T503 S504 N508 L509 D510	L502-H506 VanDerWaalsContact O-CB 3.23Å; L502-H506 WeakPolarHBondContact O-CB 3.44Å; L502-H506 PolarHBondContact O-N 3.1Å; T503-H506 PolarHBondContact O-N 2.92Å; S504-H506 VanDerWaalsContact C-N 3.31Å; S504-H506 PolarHBondContact O-N 2.89Å; H506-N508 VanDerWaalsContact C-N 3.32Å; H506-N508 PolarHBondContact O-N 3.48Å; H506-L509 PolarHBondContact O-N 3.1Å; H506-D510 IonicContact CD2-OD2 3.21Å; H506-D510 IonicContact CE1-OD1 3.5Å; H506-D510 IonicContact CE1-OD2 2.87Å; H506-D510 PolarHBondContact CE1-OD2 2.89Å; H506-D510 IonicContact ND1-OD2 3.48Å; H506-D510 IonicContact NE2-OD2 3.81Å; H506-D510 PolarHBondContact NE2-OD2 2.93Å; H506-D510 PolarHBondContact O-N 2.98Å
507	K	95.1	Very high	90.9	Very high	136 Å²	136	80.1 Å²	80.1	59%	0.591	43%	0.43	S	S	*	.	H	α-helix	trans	-59.3	-41.8	175.2	-73.2	176.5	-180	-179.4	0	112.5	T503 S504 D510 T511	T503-K507 WeakPolarHBondContact O-CG 3.36Å; T503-K507 PolarHBondContact O-N 3.36Å; S504-K507 PolarHBondContact O-N 2.79Å; K507-D510 PolarHBondContact O-N 2.89Å; K507-T511 PolarHBondContact O-N 3.15Å; K507-T511 PolarHBondContact O-OG1 2.64Å
508	N	95.6	Very high	90.7	Very high	38 Å²	38	80.3 Å²	80.3	20%	0.203	43%	0.43	C	S	.	.	H	α-helix	trans	-63.3	-45	176	-71.5	-12.1	0	0	0	111.2	S504 R505 H506 T511 V512 I531 V536	S504-N508 VanDerWaalsContact O-CG 3.31Å; S504-N508 PolarHBondContact O-N 3.14Å; R505-N508 PolarHBondContact O-N 2.65Å; H506-N508 VanDerWaalsContact C-N 3.32Å; H506-N508 PolarHBondContact O-N 3.48Å; N508-T511 WeakPolarHBondContact O-CB 3.41Å; N508-T511 PolarHBondContact O-N 3.26Å; N508-V512 WeakPolarHBondContact O-CG2 3.38Å; N508-V512 PolarHBondContact O-N 2.98Å; N508-I531 HydrophobicContact CB-CD1 4.25Å; N508-I531 HydrophobicContact CB-CG2 3.99Å; N508-V536 HydrophobicContact CB-CG2 3.71Å
509	L	95.2	Very high	90.4	Very high	52 Å²	52	77.3 Å²	77.3	27%	0.272	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-37.9	176.4	-74.9	168.3	0	0	0	112.6	R505 H506 T511 V512 R513 V536 D539	R505-L509 HydrophobicContact CG-CD1 4.15Å; R505-L509 WeakPolarHBondContact O-CB 3.25Å; R505-L509 VanDerWaalsContact O-CG 3.32Å; R505-L509 WeakPolarHBondContact O-CG 3.5Å; R505-L509 PolarHBondContact O-N 2.9Å; H506-L509 PolarHBondContact O-N 3.1Å; L509-T511 VanDerWaalsContact C-N 3.29Å; L509-T511 PolarHBondContact O-N 3.07Å; L509-V512 PolarHBondContact O-N 2.81Å; L509-R513 VanDerWaalsContact O-CB 3.24Å; L509-R513 WeakPolarHBondContact O-CB 3.5Å; L509-R513 PolarHBondContact O-N 2.93Å; L509-V536 HydrophobicContact CD2-CG1 3.94Å; L509-V536 HydrophobicContact CG-CG1 4.49Å; L509-D539 HydrophobicContact CD2-CB 4Å
510	D	94.1	Very high	90.4	Very high	64 Å²	64	78.9 Å²	78.9	34%	0.342	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-37	175.2	-76.7	-27.9	0	0	0	111.6	H506 K507 R513 A514	H506-D510 IonicContact CD2-OD2 3.21Å; H506-D510 IonicContact CE1-OD1 3.5Å; H506-D510 IonicContact CE1-OD2 2.87Å; H506-D510 PolarHBondContact CE1-OD2 2.89Å; H506-D510 IonicContact ND1-OD2 3.48Å; H506-D510 IonicContact NE2-OD2 3.81Å; H506-D510 PolarHBondContact NE2-OD2 2.93Å; H506-D510 PolarHBondContact O-N 2.98Å; K507-D510 PolarHBondContact O-N 2.89Å; D510-R513 PolarHBondContact O-N 2.81Å; D510-A514 WeakPolarHBondContact O-CB 3.44Å; D510-A514 PolarHBondContact O-N 2.94Å
511	T	93.4	Very high	90.4	Very high	77 Å²	77	74.5 Å²	74.5	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-63.9	-46.6	174.2	-54.2	0	0	0	0	110.8	K507 N508 L509 R513 A514 V515	K507-T511 PolarHBondContact O-N 3.15Å; K507-T511 PolarHBondContact O-OG1 2.64Å; N508-T511 WeakPolarHBondContact O-CB 3.41Å; N508-T511 PolarHBondContact O-N 3.26Å; L509-T511 VanDerWaalsContact C-N 3.29Å; L509-T511 PolarHBondContact O-N 3.07Å; T511-R513 VanDerWaalsContact C-N 3.33Å; T511-R513 PolarHBondContact O-N 2.88Å; T511-A514 PolarHBondContact O-N 3.49Å; T511-V515 PolarHBondContact O-N 2.92Å
512	V	94.8	Very high	90.5	Very high	4 Å²	4	73.3 Å²	73.3	2%	0.024	39%	0.391	C	S	.	.	H	α-helix	trans	-62.8	-41.3	175.4	175.2	0	0	0	0	111	N508 L509 A514 V515 W516 A528 I531 V536 L540	N508-V512 WeakPolarHBondContact O-CG2 3.38Å; N508-V512 PolarHBondContact O-N 2.98Å; L509-V512 PolarHBondContact O-N 2.81Å; V512-A514 PolarHBondContact O-N 2.77Å; V512-V515 PolarHBondContact O-N 2.98Å; V512-W516 WeakPolarHBondContact O-CB 3.42Å; V512-W516 PolarHBondContact O-N 2.66Å; V512-A528 HydrophobicContact CG1-CB 4.36Å; V512-A528 HydrophobicContact CG2-CB 3.88Å; V512-I531 HydrophobicContact CG2-CD1 3.51Å; V512-V536 HydrophobicContact CG2-CG1 3.93Å; V512-L540 HydrophobicContact CG1-CD1 4.18Å; V512-L540 HydrophobicContact CG1-CD2 4.2Å
513	R	93.1	Very high	90.7	Very high	170 Å²	170	72 Å²	72	64%	0.642	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-40.9	178.5	-177.5	-177.1	177.1	-171	0.4	111.7	L509 D510 T511 V515 W516 T517	L509-R513 VanDerWaalsContact O-CB 3.24Å; L509-R513 WeakPolarHBondContact O-CB 3.5Å; L509-R513 PolarHBondContact O-N 2.93Å; D510-R513 PolarHBondContact O-N 2.81Å; T511-R513 VanDerWaalsContact C-N 3.33Å; T511-R513 PolarHBondContact O-N 2.88Å; R513-V515 VanDerWaalsContact C-N 3.34Å; R513-V515 PolarHBondContact O-N 3.29Å; R513-W516 WeakPolarHBondContact O-CB 3.32Å; R513-W516 PolarHBondContact O-N 2.89Å; R513-T517 WeakPolarHBondContact O-CG2 3.36Å; R513-T517 PolarHBondContact O-N 2.77Å; R513-T517 PolarHBondContact O-OG1 2.8Å
514	A	91.2	Very high	90.8	Very high	54 Å²	54	68.6 Å²	68.6	45%	0.446	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-47	175.6	0	0	0	0	0	110.8	D510 T511 V512 W516 T517 T518	D510-A514 WeakPolarHBondContact O-CB 3.44Å; D510-A514 PolarHBondContact O-N 2.94Å; T511-A514 PolarHBondContact O-N 3.49Å; V512-A514 PolarHBondContact O-N 2.77Å; A514-W516 VanDerWaalsContact C-N 3.31Å; A514-W516 PolarHBondContact O-N 2.85Å; A514-T517 PolarHBondContact O-N 3.44Å; A514-T517 PolarHBondContact O-OG1 2.92Å; A514-T518 PolarHBondContact O-OG1 2.86Å
515	V	91.9	Very high	90.9	Very high	43 Å²	43	66 Å²	66	26%	0.261	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-41	175.1	178.8	0	0	0	0	111.3	T511 V512 R513 T517 T518 G519	T511-V515 PolarHBondContact O-N 2.92Å; V512-V515 PolarHBondContact O-N 2.98Å; R513-V515 VanDerWaalsContact C-N 3.34Å; R513-V515 PolarHBondContact O-N 3.29Å; V515-T517 VanDerWaalsContact C-N 3.32Å; V515-T517 PolarHBondContact O-N 3.03Å; V515-T518 PolarHBondContact O-N 2.86Å; V515-T518 VanDerWaalsContact O-N 3.12Å; V515-T518 PolarHBondContact O-OG1 2.95Å; V515-T518 VanDerWaalsContact O-OG1 3.1Å; V515-G519 PolarHBondContact O-N 3.06Å
516	W	89.8	Confident	90.9	Very high	86 Å²	86	66 Å²	66	33%	0.326	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-36.2	178.1	-169	-71.2	0	0	0	113.6	V512 R513 A514 T518 I521 S524 L540 V544	V512-W516 WeakPolarHBondContact O-CB 3.42Å; V512-W516 PolarHBondContact O-N 2.66Å; R513-W516 WeakPolarHBondContact O-CB 3.32Å; R513-W516 PolarHBondContact O-N 2.89Å; A514-W516 VanDerWaalsContact C-N 3.31Å; A514-W516 PolarHBondContact O-N 2.85Å; W516-T518 VanDerWaalsContact C-N 3.25Å; W516-T518 PolarHBondContact O-N 3.37Å; W516-I521 HydrophobicContact CH2-CB 4.4Å; W516-I521 HydrophobicContact CH2-CD1 3.26Å; W516-I521 HydrophobicContact CH2-CG1 3.39Å; W516-I521 HydrophobicContact CZ2-CD1 3.81Å; W516-I521 HydrophobicContact CZ2-CG1 4.15Å; W516-I521 HydrophobicContact CZ3-CD1 4.04Å; W516-I521 HydrophobicContact CZ3-CG1 3.63Å; W516-S524 WeakPolarHBondContact CA-OG 3.41Å; W516-S524 WeakPolarHBondContact CB-OG 3.26Å; W516-S524 PolarHBondContact N-OG 2.82Å; W516-L540 HydrophobicContact CE3-CD1 3.76Å; W516-L540 HydrophobicContact CH2-CD1 4.37Å; W516-L540 HydrophobicContact CZ3-CD1 3.45Å; W516-L540 VanDerWaalsContact CZ3-CD1 3.45Å; W516-L540 HydrophobicContact CZ3-CG 4.18Å; W516-V544 HydrophobicContact CH2-CG2 4.09Å; W516-V544 HydrophobicContact CZ3-CG2 4.47Å
517	T	84.7	Confident	91	Very high	107 Å²	107	62 Å²	62	66%	0.656	34%	0.336	S	S	*	.	H	α-helix	trans	-70.7	-22.6	177.6	53.2	0	0	0	0	113.5	R513 A514 V515	R513-T517 WeakPolarHBondContact O-CG2 3.36Å; R513-T517 PolarHBondContact O-N 2.77Å; R513-T517 PolarHBondContact O-OG1 2.8Å; A514-T517 PolarHBondContact O-N 3.44Å; A514-T517 PolarHBondContact O-OG1 2.92Å; V515-T517 VanDerWaalsContact C-N 3.32Å; V515-T517 PolarHBondContact O-N 3.03Å
518	T	80.3	Confident	91	Very high	122 Å²	122	55.5 Å²	55.5	75%	0.748	31%	0.308	S	S	*	.	H	α-helix	trans	-110.4	-15.4	-173.1	55.3	0	0	0	0	114.6	A514 V515 W516	A514-T518 PolarHBondContact O-OG1 2.86Å; V515-T518 PolarHBondContact O-N 2.86Å; V515-T518 VanDerWaalsContact O-N 3.12Å; V515-T518 PolarHBondContact O-OG1 2.95Å; V515-T518 VanDerWaalsContact O-OG1 3.1Å; W516-T518 VanDerWaalsContact C-N 3.25Å; W516-T518 PolarHBondContact O-N 3.37Å
519	G	79.2	Confident	91	Very high	37 Å²	37	55.5 Å²	55.5	38%	0.381	31%	0.309	S	S	.	.	S	Bend	trans	-134.1	175.4	-171.1	0	0	0	0	0	114.3	V515	V515-G519 PolarHBondContact O-N 3.06Å
520	D	83	Confident	91	Very high	83 Å²	83	57 Å²	57	44%	0.444	33%	0.329	S	S	.	.			trans	-73.4	158.8	174	-165.8	11.7	0	0	0	110.6	K522 T523 S524 K552	D520-K522 PolarHBondContact O-N 2.92Å; D520-T523 PolarHBondContact N-OG1 2.83Å; D520-T523 PolarHBondContact O-N 2.93Å; D520-T523 PolarHBondContact O-OG1 2.87Å; D520-S524 PolarHBondContact O-N 2.81Å; D520-K552 IonicContact OD1-NZ 2.67Å; D520-K552 IonicContact OD2-NZ 3.31Å; D520-K552 PolarHBondContact OD2-NZ 2.86Å
521	I	89.5	Confident	91	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-51.1	-37.4	-177.5	-165.6	148.2	0	0	0	113.4	W516 T523 S524 V525 V544 L550	W516-I521 HydrophobicContact CH2-CB 4.4Å; W516-I521 HydrophobicContact CH2-CD1 3.26Å; W516-I521 HydrophobicContact CH2-CG1 3.39Å; W516-I521 HydrophobicContact CZ2-CD1 3.81Å; W516-I521 HydrophobicContact CZ2-CG1 4.15Å; W516-I521 HydrophobicContact CZ3-CD1 4.04Å; W516-I521 HydrophobicContact CZ3-CG1 3.63Å; I521-T523 PolarHBondContact O-N 2.89Å; I521-S524 PolarHBondContact O-N 3.01Å; I521-V525 HydrophobicContact CG1-CG2 4.44Å; I521-V525 VanDerWaalsContact O-CG2 3.22Å; I521-V525 WeakPolarHBondContact O-CG2 3.37Å; I521-V525 PolarHBondContact O-N 3.47Å; I521-V544 HydrophobicContact CD1-CG2 4.05Å; I521-V544 HydrophobicContact CG1-CG2 4.45Å; I521-L550 HydrophobicContact CD1-CB 3.59Å; I521-L550 HydrophobicContact CD1-CD1 3.64Å; I521-L550 HydrophobicContact CD1-CD2 3.75Å; I521-L550 HydrophobicContact CD1-CG 3.83Å
522	K	90.9	Very high	90.9	Very high	65 Å²	65	58.8 Å²	58.8	28%	0.283	34%	0.336	S	S	.	.	H	α-helix	trans	-59.3	-47	178.3	-172.5	-167.9	-176.4	179.4	0	111.1	D520 S524 V525 D526 D554	D520-K522 PolarHBondContact O-N 2.92Å; K522-S524 PolarHBondContact O-N 2.85Å; K522-V525 PolarHBondContact O-N 2.82Å; K522-D526 WeakPolarHBondContact O-CB 3.47Å; K522-D526 PolarHBondContact O-N 2.86Å; K522-D554 HydrophobicContact CD-CB 3.97Å; K522-D554 IonicContact NZ-OD2 2.97Å; K522-D554 PolarHBondContact NZ-OD2 2.85Å
523	T	92.6	Very high	90.9	Very high	63 Å²	63	60.8 Å²	60.8	39%	0.387	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-32.9	-179.6	64.5	0	0	0	0	112.3	D520 I521 S527	D520-T523 PolarHBondContact N-OG1 2.83Å; D520-T523 PolarHBondContact O-N 2.93Å; D520-T523 PolarHBondContact O-OG1 2.87Å; I521-T523 PolarHBondContact O-N 2.89Å; T523-S527 WeakPolarHBondContact O-CB 3.49Å; T523-S527 PolarHBondContact O-N 3.04Å
524	S	92.8	Very high	90.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-74.3	-38.2	177.5	-53.9	0	0	0	0	112	W516 D520 I521 K522 S527 A528	W516-S524 WeakPolarHBondContact CA-OG 3.41Å; W516-S524 WeakPolarHBondContact CB-OG 3.26Å; W516-S524 PolarHBondContact N-OG 2.82Å; D520-S524 PolarHBondContact O-N 2.81Å; I521-S524 PolarHBondContact O-N 3.01Å; K522-S524 PolarHBondContact O-N 2.85Å; S524-S527 WeakPolarHBondContact O-CB 3.38Å; S524-S527 PolarHBondContact O-N 2.86Å; S524-A528 WeakPolarHBondContact O-CB 3.48Å; S524-A528 PolarHBondContact O-N 2.78Å
525	V	94.4	Very high	91	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.024	31%	0.311	C	S	.	.	H	α-helix	trans	-68.9	-41.4	174.4	176.6	0	0	0	0	110.4	I521 K522 S527 A528 V529 L540 L555 T558 V559	I521-V525 HydrophobicContact CG1-CG2 4.44Å; I521-V525 VanDerWaalsContact O-CG2 3.22Å; I521-V525 WeakPolarHBondContact O-CG2 3.37Å; I521-V525 PolarHBondContact O-N 3.47Å; K522-V525 PolarHBondContact O-N 2.82Å; V525-S527 VanDerWaalsContact C-N 3.3Å; V525-S527 PolarHBondContact O-N 3.32Å; V525-A528 PolarHBondContact O-N 3.27Å; V525-V529 WeakPolarHBondContact O-CB 3.5Å; V525-V529 WeakPolarHBondContact O-CG2 3.38Å; V525-V529 PolarHBondContact O-N 2.77Å; V525-L540 HydrophobicContact CB-CD2 4.17Å; V525-L540 HydrophobicContact CG2-CD2 3.6Å; V525-L540 HydrophobicContact CG2-CG 4.37Å; V525-L555 HydrophobicContact CB-CD1 3.72Å; V525-L555 HydrophobicContact CG1-CD1 3.79Å; V525-L555 HydrophobicContact CG2-CD1 3.54Å; V525-T558 HydrophobicContact CG1-CG2 4Å; V525-V559 HydrophobicContact CG1-CG2 3.78Å
526	D	94.7	Very high	91.2	Very high	59 Å²	59	51.1 Å²	51.1	32%	0.316	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-41.6	173.7	-68.1	-28.1	0	0	0	110.6	K522 V529 A530 T558	K522-D526 WeakPolarHBondContact O-CB 3.47Å; K522-D526 PolarHBondContact O-N 2.86Å; D526-V529 PolarHBondContact O-N 2.88Å; D526-A530 WeakPolarHBondContact O-CB 3.49Å; D526-A530 PolarHBondContact O-N 2.79Å; D526-T558 WeakPolarHBondContact OD1-CG2 3.47Å; D526-T558 PolarHBondContact OD1-OG1 2.94Å
527	S	94.8	Very high	91.5	Very high	26 Å²	26	47.3 Å²	47.3	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-46.2	173.1	-177.4	0	0	0	0	112	T523 S524 V525 V529 A530 I531	T523-S527 WeakPolarHBondContact O-CB 3.49Å; T523-S527 PolarHBondContact O-N 3.04Å; S524-S527 WeakPolarHBondContact O-CB 3.38Å; S524-S527 PolarHBondContact O-N 2.86Å; V525-S527 VanDerWaalsContact C-N 3.3Å; V525-S527 PolarHBondContact O-N 3.32Å; S527-V529 VanDerWaalsContact C-N 3.3Å; S527-V529 PolarHBondContact O-N 3Å; S527-A530 WeakPolarHBondContact O-CB 3.25Å; S527-A530 PolarHBondContact O-N 3.11Å; S527-A530 VanDerWaalsContact O-N 3.14Å; S527-I531 WeakPolarHBondContact O-CG1 3.27Å; S527-I531 PolarHBondContact O-N 2.83Å
528	A	95	Very high	92.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-37.7	176.1	0	0	0	0	0	112.5	V512 S524 V525 V536 V537 L540	V512-A528 HydrophobicContact CG1-CB 4.36Å; V512-A528 HydrophobicContact CG2-CB 3.88Å; S524-A528 WeakPolarHBondContact O-CB 3.48Å; S524-A528 PolarHBondContact O-N 2.78Å; V525-A528 PolarHBondContact O-N 3.27Å; A528-V536 HydrophobicContact CB-CG1 4.12Å; A528-V537 HydrophobicContact CB-CG2 4.45Å; A528-L540 HydrophobicContact CB-CD2 3.72Å
529	V	95.6	Very high	92.8	Very high	37 Å²	37	38.7 Å²	38.7	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-39.3	174.2	169.5	0	0	0	0	111.3	V525 D526 S527 I531 N532 V537 T558 Q562	V525-V529 WeakPolarHBondContact O-CB 3.5Å; V525-V529 WeakPolarHBondContact O-CG2 3.38Å; V525-V529 PolarHBondContact O-N 2.77Å; D526-V529 PolarHBondContact O-N 2.88Å; S527-V529 VanDerWaalsContact C-N 3.3Å; S527-V529 PolarHBondContact O-N 3Å; V529-I531 VanDerWaalsContact C-N 3.3Å; V529-I531 PolarHBondContact O-N 2.88Å; V529-N532 PolarHBondContact O-N 2.81Å; V529-V537 HydrophobicContact CG2-CG2 4.41Å; V529-T558 HydrophobicContact CG2-CG2 4.01Å; V529-Q562 VanDerWaalsContact CG1-NE2 3.34Å; V529-Q562 HydrophobicContact CG2-CG 3.7Å
530	A	95.2	Very high	93.5	Very high	84 Å²	84	37.5 Å²	37.5	69%	0.694	22%	0.215	S	C	*	.	H	α-helix	trans	-65.5	-31.7	178	0	0	0	0	0	112.9	D526 S527 N532	D526-A530 WeakPolarHBondContact O-CB 3.49Å; D526-A530 PolarHBondContact O-N 2.79Å; S527-A530 WeakPolarHBondContact O-CB 3.25Å; S527-A530 PolarHBondContact O-N 3.11Å; S527-A530 VanDerWaalsContact O-N 3.14Å; A530-N532 PolarHBondContact O-N 3.38Å
531	I	94	Very high	94.1	Very high	49 Å²	49	33.6 Å²	33.6	25%	0.251	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	172.7	-68.6	167.6	0	0	0	111.6	N508 V512 S527 V529 D533	N508-I531 HydrophobicContact CB-CD1 4.25Å; N508-I531 HydrophobicContact CB-CG2 3.99Å; V512-I531 HydrophobicContact CG2-CD1 3.51Å; S527-I531 WeakPolarHBondContact O-CG1 3.27Å; S527-I531 PolarHBondContact O-N 2.83Å; V529-I531 VanDerWaalsContact C-N 3.3Å; V529-I531 PolarHBondContact O-N 2.88Å; I531-D533 HydrophobicContact CG2-CB 3.98Å; I531-D533 PolarHBondContact O-N 3.01Å
532	N	92.3	Very high	94.4	Very high	130 Å²	130	36.1 Å²	36.1	70%	0.695	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	32.5	177.7	-165.6	40.6	0	0	0	114	V529 A530	V529-N532 PolarHBondContact O-N 2.81Å; A530-N532 PolarHBondContact O-N 3.38Å
533	D	93.1	Very high	94.5	Very high	45 Å²	45	37.5 Å²	37.5	24%	0.241	22%	0.217	C	C	.	.			trans	-114.9	108.6	172.9	-176.5	-11.8	0	0	0	109.7	I531 S535 V536 V537	I531-D533 HydrophobicContact CG2-CB 3.98Å; I531-D533 PolarHBondContact O-N 3.01Å; D533-S535 PolarHBondContact O-N 2.87Å; D533-S535 VanDerWaalsContact OD1-CB 3.22Å; D533-S535 WeakPolarHBondContact OD1-CB 3.47Å; D533-S535 PolarHBondContact OD1-N 2.9Å; D533-S535 PolarHBondContact OD1-OG 3.47Å; D533-S535 PolarHBondContact OD2-OG 2.9Å; D533-S535 VanDerWaalsContact OD2-OG 3.14Å; D533-V536 HydrophobicContact CB-CB 4.4Å; D533-V536 HydrophobicContact CB-CG2 3.96Å; D533-V536 PolarHBondContact O-N 2.78Å; D533-V536 VanDerWaalsContact O-N 3.15Å; D533-V537 PolarHBondContact O-N 2.88Å
534	L	93.4	Very high	94.5	Very high	54 Å²	54	34.5 Å²	34.5	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-60.6	-26.1	-180	-75	168.3	0	0	0	112.7	V536 V537 V538 K565 L566 Y574	L534-V536 VanDerWaalsContact C-N 3.32Å; L534-V537 PolarHBondContact O-N 2.91Å; L534-V538 VanDerWaalsContact O-CG2 3.27Å; L534-V538 WeakPolarHBondContact O-CG2 3.28Å; L534-V538 PolarHBondContact O-N 2.84Å; L534-K565 HydrophobicContact CD1-CB 4.48Å; L534-K565 HydrophobicContact CD2-CB 4.13Å; L534-K565 HydrophobicContact CD2-CD 4.35Å; L534-L566 HydrophobicContact CB-CD2 4.44Å; L534-L566 HydrophobicContact CD2-CD2 3.95Å; L534-L566 HydrophobicContact CD2-CG 4.43Å; L534-Y574 HydrophobicContact CB-CD2 4.28Å; L534-Y574 HydrophobicContact CB-CE2 3.84Å
535	S	94.3	Very high	94.6	Very high	10 Å²	10	35.5 Å²	35.5	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-37.2	178.6	78.5	0	0	0	0	112	R505 D533 V538 D539 Y574	R505-S535 WeakPolarHBondContact CD-OG 3.22Å; R505-S535 PolarHBondContact NE-OG 3.38Å; R505-S535 PolarHBondContact NH2-O 2.94Å; D533-S535 PolarHBondContact O-N 2.87Å; D533-S535 VanDerWaalsContact OD1-CB 3.22Å; D533-S535 WeakPolarHBondContact OD1-CB 3.47Å; D533-S535 PolarHBondContact OD1-N 2.9Å; D533-S535 PolarHBondContact OD1-OG 3.47Å; D533-S535 PolarHBondContact OD2-OG 2.9Å; D533-S535 VanDerWaalsContact OD2-OG 3.14Å; S535-V538 PolarHBondContact O-N 3.48Å; S535-D539 VanDerWaalsContact O-CG 3.32Å; S535-D539 PolarHBondContact O-N 3.43Å; S535-D539 VanDerWaalsContact O-N 3.09Å; S535-D539 VanDerWaalsContact O-OD2 3.07Å; S535-Y574 VanDerWaalsContact CA-OH 3.3Å; S535-Y574 WeakPolarHBondContact CA-OH 3.46Å; S535-Y574 WeakPolarHBondContact CB-OH 3.2Å
536	V	96	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.5	-41.6	176.7	177.4	0	0	0	0	110.2	R505 N508 L509 V512 A528 D533 L534 V538 D539 L540	R505-V536 HydrophobicContact CG-CG2 4.31Å; N508-V536 HydrophobicContact CB-CG2 3.71Å; L509-V536 HydrophobicContact CD2-CG1 3.94Å; L509-V536 HydrophobicContact CG-CG1 4.49Å; V512-V536 HydrophobicContact CG2-CG1 3.93Å; A528-V536 HydrophobicContact CB-CG1 4.12Å; D533-V536 HydrophobicContact CB-CB 4.4Å; D533-V536 HydrophobicContact CB-CG2 3.96Å; D533-V536 PolarHBondContact O-N 2.78Å; D533-V536 VanDerWaalsContact O-N 3.15Å; L534-V536 VanDerWaalsContact C-N 3.32Å; V536-V538 VanDerWaalsContact C-N 3.31Å; V536-V538 PolarHBondContact O-N 3.36Å; V536-D539 PolarHBondContact O-N 2.77Å; V536-L540 WeakPolarHBondContact O-CB 3.16Å; V536-L540 PolarHBondContact O-N 3.21Å
537	V	95.9	Very high	94.2	Very high	7 Å²	7	44 Å²	44	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-41.3	174.4	178.1	0	0	0	0	110.9	A528 V529 D533 L534 L540 L541 Q562	A528-V537 HydrophobicContact CB-CG2 4.45Å; V529-V537 HydrophobicContact CG2-CG2 4.41Å; D533-V537 PolarHBondContact O-N 2.88Å; L534-V537 PolarHBondContact O-N 2.91Å; V537-L540 PolarHBondContact O-N 2.86Å; V537-L541 HydrophobicContact CG1-CD1 3.84Å; V537-L541 HydrophobicContact CG1-CG 4.15Å; V537-L541 WeakPolarHBondContact O-CB 3.3Å; V537-L541 VanDerWaalsContact O-CG 3.26Å; V537-L541 WeakPolarHBondContact O-CG 3.45Å; V537-L541 PolarHBondContact O-N 2.89Å; V537-Q562 HydrophobicContact CG1-CB 4.11Å; V537-Q562 HydrophobicContact CG1-CG 4.35Å
538	V	97.1	Very high	93.7	Very high	5 Å²	5	44 Å²	44	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-45.1	176.7	167.4	0	0	0	0	111.9	L534 S535 V536 L540 L541 N542 L566 Y574 T577	L534-V538 VanDerWaalsContact O-CG2 3.27Å; L534-V538 WeakPolarHBondContact O-CG2 3.28Å; L534-V538 PolarHBondContact O-N 2.84Å; S535-V538 PolarHBondContact O-N 3.48Å; V536-V538 VanDerWaalsContact C-N 3.31Å; V536-V538 PolarHBondContact O-N 3.36Å; V538-L540 VanDerWaalsContact C-N 3.31Å; V538-L540 PolarHBondContact O-N 3.33Å; V538-L541 PolarHBondContact O-N 2.78Å; V538-N542 WeakPolarHBondContact O-CB 3.01Å; V538-N542 VanDerWaalsContact O-CG 3.27Å; V538-N542 PolarHBondContact O-N 2.84Å; V538-N542 PolarHBondContact O-ND2 3.46Å; V538-L566 HydrophobicContact CG2-CD1 4.24Å; V538-L566 HydrophobicContact CG2-CD2 3.42Å; V538-L566 VanDerWaalsContact CG2-CD2 3.42Å; V538-L566 HydrophobicContact CG2-CG 4.49Å; V538-Y574 HydrophobicContact CG1-CD1 4.34Å; V538-Y574 HydrophobicContact CG2-CD1 3.89Å; V538-Y574 HydrophobicContact CG2-CD2 3.95Å; V538-Y574 HydrophobicContact CG2-CE1 4.22Å; V538-Y574 HydrophobicContact CG2-CE2 4.27Å; V538-Y574 HydrophobicContact CG2-CG 3.75Å; V538-T577 HydrophobicContact CG1-CG2 4.29Å
539	D	95.1	Very high	93.3	Very high	42 Å²	42	48.3 Å²	48.3	23%	0.225	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-45.7	177.2	-65.5	-36.9	0	0	0	111.1	R505 L509 S535 V536 N542 I543	R505-D539 IonicContact CZ-OD1 3.66Å; R505-D539 IonicContact CZ-OD2 3.33Å; R505-D539 IonicContact NE-OD1 2.92Å; R505-D539 IonicContact NE-OD2 3.49Å; R505-D539 PolarHBondContact NE-OD2 2.83Å; R505-D539 IonicContact NH2-OD1 3.54Å; R505-D539 PolarHBondContact NH2-OD1 2.82Å; R505-D539 IonicContact NH2-OD2 2.65Å; R505-D539 PolarHBondContact NH2-OD2 2.9Å; L509-D539 HydrophobicContact CD2-CB 4Å; S535-D539 VanDerWaalsContact O-CG 3.32Å; S535-D539 PolarHBondContact O-N 3.43Å; S535-D539 VanDerWaalsContact O-N 3.09Å; S535-D539 VanDerWaalsContact O-OD2 3.07Å; V536-D539 PolarHBondContact O-N 2.77Å; D539-N542 PolarHBondContact O-N 2.82Å; D539-I543 PolarHBondContact O-N 3.04Å
540	L	95	Very high	93	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-47.5	179.2	-164.3	63.9	0	0	0	111.3	V512 W516 V525 A528 V536 V537 V538 N542 I543 V544	V512-L540 HydrophobicContact CG1-CD1 4.18Å; V512-L540 HydrophobicContact CG1-CD2 4.2Å; W516-L540 HydrophobicContact CE3-CD1 3.76Å; W516-L540 HydrophobicContact CH2-CD1 4.37Å; W516-L540 HydrophobicContact CZ3-CD1 3.45Å; W516-L540 VanDerWaalsContact CZ3-CD1 3.45Å; W516-L540 HydrophobicContact CZ3-CG 4.18Å; V525-L540 HydrophobicContact CB-CD2 4.17Å; V525-L540 HydrophobicContact CG2-CD2 3.6Å; V525-L540 HydrophobicContact CG2-CG 4.37Å; A528-L540 HydrophobicContact CB-CD2 3.72Å; V536-L540 WeakPolarHBondContact O-CB 3.16Å; V536-L540 PolarHBondContact O-N 3.21Å; V537-L540 PolarHBondContact O-N 2.86Å; V538-L540 VanDerWaalsContact C-N 3.31Å; V538-L540 PolarHBondContact O-N 3.33Å; L540-N542 VanDerWaalsContact C-N 3.29Å; L540-N542 PolarHBondContact O-N 3.04Å; L540-I543 WeakPolarHBondContact O-CB 3.44Å; L540-I543 PolarHBondContact O-N 2.94Å; L540-I543 VanDerWaalsContact O-N 3.11Å; L540-V544 WeakPolarHBondContact O-CG2 3.12Å; L540-V544 PolarHBondContact O-N 2.86Å
541	L	95.7	Very high	92.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-32.8	178.2	-72.4	-179.6	0	0	0	112.4	V537 V538 I543 V544 N545 W551 V559 L566 T577	V537-L541 HydrophobicContact CG1-CD1 3.84Å; V537-L541 HydrophobicContact CG1-CG 4.15Å; V537-L541 WeakPolarHBondContact O-CB 3.3Å; V537-L541 VanDerWaalsContact O-CG 3.26Å; V537-L541 WeakPolarHBondContact O-CG 3.45Å; V537-L541 PolarHBondContact O-N 2.89Å; V538-L541 PolarHBondContact O-N 2.78Å; L541-I543 VanDerWaalsContact C-N 3.27Å; L541-I543 PolarHBondContact O-N 2.98Å; L541-V544 PolarHBondContact O-N 2.92Å; L541-N545 WeakPolarHBondContact O-CB 3.15Å; L541-N545 PolarHBondContact O-N 2.82Å; L541-N545 PolarHBondContact O-ND2 2.73Å; L541-N545 PolarHBondContact O-OD1 3.46Å; L541-W551 HydrophobicContact CD2-CH2 4.22Å; L541-W551 HydrophobicContact CD2-CZ2 4.46Å; L541-V559 HydrophobicContact CD1-CG1 4.15Å; L541-V559 HydrophobicContact CD2-CG1 3.74Å; L541-V559 HydrophobicContact CD2-CG2 4.1Å; L541-L566 HydrophobicContact CD1-CD1 3.77Å; L541-T577 HydrophobicContact CB-CG2 3.69Å
542	N	95.4	Very high	92.7	Very high	64 Å²	64	47.6 Å²	47.6	34%	0.342	25%	0.25	S	S	.	.	H	α-helix	trans	-63.2	-35.1	174	-77.2	-31.7	0	0	0	112.1	V538 D539 L540 Q546 T577	V538-N542 WeakPolarHBondContact O-CB 3.01Å; V538-N542 VanDerWaalsContact O-CG 3.27Å; V538-N542 PolarHBondContact O-N 2.84Å; V538-N542 PolarHBondContact O-ND2 3.46Å; D539-N542 PolarHBondContact O-N 2.82Å; L540-N542 VanDerWaalsContact C-N 3.29Å; L540-N542 PolarHBondContact O-N 3.04Å; N542-Q546 WeakPolarHBondContact O-CG 3.48Å; N542-T577 VanDerWaalsContact OD1-CG2 3.31Å; N542-T577 WeakPolarHBondContact OD1-CG2 3.29Å; N542-T577 PolarHBondContact OD1-OG1 2.82Å
543	I	92.6	Very high	92.7	Very high	93 Å²	93	42.3 Å²	42.3	48%	0.477	22%	0.222	S	C	.	.	H	α-helix	trans	-72.2	-47.2	173.7	-61.3	165.8	0	0	0	110.3	D539 L540 L541 N545 Q546	D539-I543 PolarHBondContact O-N 3.04Å; L540-I543 WeakPolarHBondContact O-CB 3.44Å; L540-I543 PolarHBondContact O-N 2.94Å; L540-I543 VanDerWaalsContact O-N 3.11Å; L541-I543 VanDerWaalsContact C-N 3.27Å; L541-I543 PolarHBondContact O-N 2.98Å; I543-N545 VanDerWaalsContact C-N 3.31Å; I543-N545 PolarHBondContact O-N 2.81Å; I543-Q546 WeakPolarHBondContact O-CB 3.08Å; I543-Q546 PolarHBondContact O-N 2.91Å
544	V	92.6	Very high	92.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-36.6	-179	178.3	0	0	0	0	111.7	W516 I521 L540 L541 Q546 K547 L550 W551 L555	W516-V544 HydrophobicContact CH2-CG2 4.09Å; W516-V544 HydrophobicContact CZ3-CG2 4.47Å; I521-V544 HydrophobicContact CD1-CG2 4.05Å; I521-V544 HydrophobicContact CG1-CG2 4.45Å; L540-V544 WeakPolarHBondContact O-CG2 3.12Å; L540-V544 PolarHBondContact O-N 2.86Å; L541-V544 PolarHBondContact O-N 2.92Å; V544-Q546 PolarHBondContact O-N 3.23Å; V544-K547 CarbonylContact O-C 3.31Å; V544-K547 PolarHBondContact O-N 2.94Å; V544-K547 VanDerWaalsContact O-N 3.15Å; V544-K547 VanDerWaalsContact O-O 3.11Å; V544-L550 HydrophobicContact CG1-CB 4.15Å; V544-W551 HydrophobicContact CG1-CD2 4.39Å; V544-W551 HydrophobicContact CG1-CZ2 4.09Å; V544-L555 HydrophobicContact CG1-CD2 4.11Å
545	N	94.8	Very high	92.6	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-25	177.5	-74.7	-18.7	0	0	0	113.1	L541 I543 K547 W551 T580 S581 L584	L541-N545 WeakPolarHBondContact O-CB 3.15Å; L541-N545 PolarHBondContact O-N 2.82Å; L541-N545 PolarHBondContact O-ND2 2.73Å; L541-N545 PolarHBondContact O-OD1 3.46Å; I543-N545 VanDerWaalsContact C-N 3.31Å; I543-N545 PolarHBondContact O-N 2.81Å; N545-K547 VanDerWaalsContact C-N 3.26Å; N545-K547 PolarHBondContact O-N 2.88Å; N545-W551 WeakPolarHBondContact OD1-CZ2 3.5Å; N545-T580 HydrophobicContact CB-CG2 4.17Å; N545-S581 VanDerWaalsContact CG-OG 3.23Å; N545-S581 PolarHBondContact ND2-OG 3.15Å; N545-S581 WeakPolarHBondContact OD1-CA 3.21Å; N545-S581 PolarHBondContact OD1-OG 2.88Å; N545-L584 HydrophobicContact CB-CD1 4.19Å
546	Q	92.7	Very high	92.6	Very high	159 Å²	159	39.3 Å²	39.3	74%	0.743	21%	0.205	S	C	*	.	H	α-helix	trans	-73	-19.8	176.9	-69.3	171.7	14.8	0	0	112.6	N542 I543 V544	N542-Q546 WeakPolarHBondContact O-CG 3.48Å; I543-Q546 WeakPolarHBondContact O-CB 3.08Å; I543-Q546 PolarHBondContact O-N 2.91Å; V544-Q546 PolarHBondContact O-N 3.23Å
547	K	87.3	Confident	92.6	Very high	84 Å²	84	40.4 Å²	40.4	37%	0.365	21%	0.212	S	C	.	.			trans	-128.4	94.3	-177.2	-65.7	-171.4	-179.9	-168.1	0	110.6	Y116 V544 N545 S549 L550	Y116-K547 PolarHBondContact OH-NZ 3.08Å; V544-K547 CarbonylContact O-C 3.31Å; V544-K547 PolarHBondContact O-N 2.94Å; V544-K547 VanDerWaalsContact O-N 3.15Å; V544-K547 VanDerWaalsContact O-O 3.11Å; N545-K547 VanDerWaalsContact C-N 3.26Å; N545-K547 PolarHBondContact O-N 2.88Å; K547-S549 PolarHBondContact O-N 3.08Å; K547-S549 VanDerWaalsContact O-N 3.09Å; K547-L550 HydrophobicContact CB-CD1 3.71Å; K547-L550 HydrophobicContact CB-CG 3.76Å; K547-L550 HydrophobicContact CD-CD1 4.2Å; K547-L550 HydrophobicContact CG-CD1 4.45Å; K547-L550 VanDerWaalsContact O-CB 3.3Å; K547-L550 WeakPolarHBondContact O-CB 3.43Å; K547-L550 PolarHBondContact O-N 2.84Å
548	A	85	Confident	92.5	Very high	24 Å²	24	41.2 Å²	41.2	20%	0.198	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-63.1	-19.4	-176.9	0	0	0	0	0	114.3	L550 W551 L584 R588	A548-L550 VanDerWaalsContact C-N 3.27Å; A548-L550 PolarHBondContact O-N 3.22Å; A548-W551 PolarHBondContact O-N 3.37Å; A548-L584 HydrophobicContact CB-CD2 4.48Å; A548-R588 VanDerWaalsContact CB-NH2 3.33Å; A548-R588 PolarHBondContact O-NH1 2.93Å
549	S	86.4	Confident	92.5	Very high	92 Å²	92	41 Å²	41	64%	0.643	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-69.3	-19.6	173.7	54.9	0	0	0	0	114.1	K547 W551	K547-S549 PolarHBondContact O-N 3.08Å; K547-S549 VanDerWaalsContact O-N 3.09Å; S549-W551 VanDerWaalsContact C-N 3.25Å; S549-W551 PolarHBondContact O-N 2.78Å
550	L	88.3	Confident	92.5	Very high	45 Å²	45	39 Å²	39	24%	0.236	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-73.9	-18.7	177.7	-69	-175.9	0	0	0	113	I521 V544 K547 A548 K552	I521-L550 HydrophobicContact CD1-CB 3.59Å; I521-L550 HydrophobicContact CD1-CD1 3.64Å; I521-L550 HydrophobicContact CD1-CD2 3.75Å; I521-L550 HydrophobicContact CD1-CG 3.83Å; V544-L550 HydrophobicContact CG1-CB 4.15Å; K547-L550 HydrophobicContact CB-CD1 3.71Å; K547-L550 HydrophobicContact CB-CG 3.76Å; K547-L550 HydrophobicContact CD-CD1 4.2Å; K547-L550 HydrophobicContact CG-CD1 4.45Å; K547-L550 VanDerWaalsContact O-CB 3.3Å; K547-L550 WeakPolarHBondContact O-CB 3.43Å; K547-L550 PolarHBondContact O-N 2.84Å; A548-L550 VanDerWaalsContact C-N 3.27Å; A548-L550 PolarHBondContact O-N 3.22Å; L550-K552 PolarHBondContact O-N 3.34Å
551	W	92.6	Very high	92.6	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.042	21%	0.214	C	C	.	.			trans	-75.5	125.1	178.5	-70.7	86	0	0	0	110.6	L541 V544 N545 A548 S549 L555 V559 I585 F589	L541-W551 HydrophobicContact CD2-CH2 4.22Å; L541-W551 HydrophobicContact CD2-CZ2 4.46Å; V544-W551 HydrophobicContact CG1-CD2 4.39Å; V544-W551 HydrophobicContact CG1-CZ2 4.09Å; N545-W551 WeakPolarHBondContact OD1-CZ2 3.5Å; A548-W551 PolarHBondContact O-N 3.37Å; S549-W551 VanDerWaalsContact C-N 3.25Å; S549-W551 PolarHBondContact O-N 2.78Å; W551-L555 HydrophobicContact CD2-CD2 4.45Å; W551-L555 HydrophobicContact CE3-CD2 4.18Å; W551-L555 HydrophobicContact CE3-CG 4.43Å; W551-V559 HydrophobicContact CH2-CB 4.39Å; W551-V559 HydrophobicContact CH2-CG1 3.78Å; W551-V559 HydrophobicContact CZ3-CB 4.17Å; W551-V559 HydrophobicContact CZ3-CG1 4.04Å; W551-V559 HydrophobicContact CZ3-CG2 4.38Å; W551-I585 HydrophobicContact CE3-CD1 4.32Å; W551-I585 HydrophobicContact CE3-CG1 3.84Å; W551-I585 HydrophobicContact CH2-CD1 4Å; W551-I585 HydrophobicContact CH2-CG1 4.09Å; W551-I585 HydrophobicContact CZ3-CD1 3.55Å; W551-I585 HydrophobicContact CZ3-CG1 3.54Å; W551-F589 HydrophobicContact CB-CE2 3.69Å; W551-F589 HydrophobicContact CB-CZ 3.97Å; W551-F589 WeakPolarHBondContact O-CZ 3.49Å
552	K	91.8	Very high	92.6	Very high	100 Å²	100	41 Å²	41	44%	0.435	22%	0.217	S	C	.	.			trans	-123.9	159.6	170.9	-61.7	177.9	-173.8	170.7	0	108.8	D520 L550 D554 L555 C556	D520-K552 IonicContact OD1-NZ 2.67Å; D520-K552 IonicContact OD2-NZ 3.31Å; D520-K552 PolarHBondContact OD2-NZ 2.86Å; L550-K552 PolarHBondContact O-N 3.34Å; K552-D554 PolarHBondContact O-N 2.9Å; K552-L555 WeakPolarHBondContact O-CB 3.21Å; K552-L555 PolarHBondContact O-N 3.2Å; K552-C556 PolarHBondContact O-N 3.18Å; K552-C556 VanDerWaalsContact O-N 3.15Å; K552-C556 PolarHBondContact O-SG 2.65Å
553	L	91.4	Very high	92.7	Very high	18 Å²	18	38 Å²	38	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-56.6	-38.9	177.3	-175.7	65.6	0	0	0	112	L555 C556 T557 F589 I593 R612 K615	L553-L555 VanDerWaalsContact C-N 3.28Å; L553-L555 PolarHBondContact O-N 3Å; L553-C556 WeakPolarHBondContact O-CB 3.37Å; L553-C556 PolarHBondContact O-N 3.4Å; L553-T557 PolarHBondContact O-N 2.87Å; L553-F589 HydrophobicContact CB-CD1 4.48Å; L553-F589 HydrophobicContact CD1-CD1 4.39Å; L553-I593 HydrophobicContact CD1-CG1 4.37Å; L553-R612 HydrophobicContact CD2-CG 3.71Å; L553-K615 HydrophobicContact CD2-CB 3.91Å; L553-K615 HydrophobicContact CG-CB 4.1Å
554	D	90.3	Very high	92.9	Very high	44 Å²	44	35.6 Å²	35.6	24%	0.235	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-31.4	174.8	-82.6	45	0	0	0	114.2	K522 K552 T557 K615	K522-D554 HydrophobicContact CD-CB 3.97Å; K522-D554 IonicContact NZ-OD2 2.97Å; K522-D554 PolarHBondContact NZ-OD2 2.85Å; K552-D554 PolarHBondContact O-N 2.9Å; D554-T557 PolarHBondContact O-OG1 3.31Å; D554-K615 WeakPolarHBondContact OD1-CD 3.28Å; D554-K615 WeakPolarHBondContact OD1-CE 3.41Å; D554-K615 IonicContact OD1-NZ 3.04Å; D554-K615 PolarHBondContact OD1-NZ 2.88Å; D554-K615 IonicContact OD2-NZ 2.94Å; D554-K615 PolarHBondContact OD2-NZ 2.82Å
555	L	94	Very high	93	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-75.6	-36.8	177	-176.3	61.3	0	0	0	110.3	V525 V544 W551 K552 L553 T557 T558 V559	V525-L555 HydrophobicContact CB-CD1 3.72Å; V525-L555 HydrophobicContact CG1-CD1 3.79Å; V525-L555 HydrophobicContact CG2-CD1 3.54Å; V544-L555 HydrophobicContact CG1-CD2 4.11Å; W551-L555 HydrophobicContact CD2-CD2 4.45Å; W551-L555 HydrophobicContact CE3-CD2 4.18Å; W551-L555 HydrophobicContact CE3-CG 4.43Å; K552-L555 WeakPolarHBondContact O-CB 3.21Å; K552-L555 PolarHBondContact O-N 3.2Å; L553-L555 VanDerWaalsContact C-N 3.28Å; L553-L555 PolarHBondContact O-N 3Å; L555-T557 PolarHBondContact O-N 3.21Å; L555-T558 PolarHBondContact O-N 3.03Å; L555-T558 VanDerWaalsContact O-N 3.14Å; L555-V559 HydrophobicContact CD1-CG2 3.82Å; L555-V559 HydrophobicContact CG-CG2 3.95Å; L555-V559 WeakPolarHBondContact O-CB 3.42Å; L555-V559 WeakPolarHBondContact O-CG2 3.27Å; L555-V559 PolarHBondContact O-N 3.3Å
556	C	95	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-39.1	177.5	-59.7	0	0	0	0	111.5	K552 L553 T558 V559 L560	K552-C556 PolarHBondContact O-N 3.18Å; K552-C556 VanDerWaalsContact O-N 3.15Å; K552-C556 PolarHBondContact O-SG 2.65Å; L553-C556 WeakPolarHBondContact O-CB 3.37Å; L553-C556 PolarHBondContact O-N 3.4Å; C556-T558 VanDerWaalsContact C-N 3.31Å; C556-T558 PolarHBondContact O-N 3.42Å; C556-V559 PolarHBondContact O-N 3.11Å; C556-L560 HydrophobicContact CB-CD1 4.46Å; C556-L560 WeakPolarHBondContact O-CB 3.26Å; C556-L560 WeakPolarHBondContact O-CD1 3.27Å; C556-L560 VanDerWaalsContact O-CG 3.23Å; C556-L560 WeakPolarHBondContact O-CG 3.43Å; C556-L560 PolarHBondContact O-N 3.27Å
557	T	94.6	Very high	93.2	Very high	23 Å²	23	31.5 Å²	31.5	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-35.5	178.7	51.1	0	0	0	0	113.3	L553 D554 L555 P561 K615 L618 C619	L553-T557 PolarHBondContact O-N 2.87Å; D554-T557 PolarHBondContact O-OG1 3.31Å; L555-T557 PolarHBondContact O-N 3.21Å; T557-P561 WeakPolarHBondContact O-CD 3.38Å; T557-K615 HydrophobicContact CG2-CB 4.11Å; T557-K615 HydrophobicContact CG2-CG 4.36Å; T557-L618 HydrophobicContact CG2-CB 4.41Å; T557-L618 HydrophobicContact CG2-CD2 3.94Å; T557-L618 HydrophobicContact CG2-CG 4.45Å; T557-C619 VanDerWaalsContact CG2-SG 3.5Å
558	T	94.9	Very high	93.5	Very high	24 Å²	24	32.9 Å²	32.9	15%	0.147	17%	0.174	C	C	.	.	H	α-helix	trans	-79.5	-38.3	177.5	-58.6	0	0	0	0	111.6	V525 D526 V529 L555 C556 P561	V525-T558 HydrophobicContact CG1-CG2 4Å; D526-T558 WeakPolarHBondContact OD1-CG2 3.47Å; D526-T558 PolarHBondContact OD1-OG1 2.94Å; V529-T558 HydrophobicContact CG2-CG2 4.01Å; L555-T558 PolarHBondContact O-N 3.03Å; L555-T558 VanDerWaalsContact O-N 3.14Å; C556-T558 VanDerWaalsContact C-N 3.31Å; C556-T558 PolarHBondContact O-N 3.42Å; T558-P561 WeakPolarHBondContact O-CD 3.48Å
559	V	96.3	Very high	93.9	Very high	2 Å²	2	33 Å²	33	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-83.6	-34.7	-169.9	175	0	0	0	0	113.1	V525 L541 W551 L555 C556 Q562 I563	V525-V559 HydrophobicContact CG1-CG2 3.78Å; L541-V559 HydrophobicContact CD1-CG1 4.15Å; L541-V559 HydrophobicContact CD2-CG1 3.74Å; L541-V559 HydrophobicContact CD2-CG2 4.1Å; W551-V559 HydrophobicContact CH2-CB 4.39Å; W551-V559 HydrophobicContact CH2-CG1 3.78Å; W551-V559 HydrophobicContact CZ3-CB 4.17Å; W551-V559 HydrophobicContact CZ3-CG1 4.04Å; W551-V559 HydrophobicContact CZ3-CG2 4.38Å; L555-V559 HydrophobicContact CD1-CG2 3.82Å; L555-V559 HydrophobicContact CG-CG2 3.95Å; L555-V559 WeakPolarHBondContact O-CB 3.42Å; L555-V559 WeakPolarHBondContact O-CG2 3.27Å; L555-V559 PolarHBondContact O-N 3.3Å; C556-V559 PolarHBondContact O-N 3.11Å; V559-Q562 WeakPolarHBondContact O-CA 3.39Å; V559-Q562 WeakPolarHBondContact O-CB 3.38Å; V559-Q562 PolarHBondContact O-N 3.2Å; V559-I563 HydrophobicContact CG1-CD1 3.76Å; V559-I563 HydrophobicContact CG1-CG1 3.85Å; V559-I563 PolarHBondContact O-N 3.29Å
560	L	96.8	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-53.7	-44.8	-178.3	-78.7	167.5	0	0	0	113.6	C556 Q562 I563 E564 L582 I585 C619 Q622 L623 I626	C556-L560 HydrophobicContact CB-CD1 4.46Å; C556-L560 WeakPolarHBondContact O-CB 3.26Å; C556-L560 WeakPolarHBondContact O-CD1 3.27Å; C556-L560 VanDerWaalsContact O-CG 3.23Å; C556-L560 WeakPolarHBondContact O-CG 3.43Å; C556-L560 PolarHBondContact O-N 3.27Å; L560-Q562 VanDerWaalsContact C-N 3.27Å; L560-Q562 PolarHBondContact O-N 2.83Å; L560-I563 HydrophobicContact CD2-CD1 4.41Å; L560-I563 WeakPolarHBondContact O-CB 3.27Å; L560-I563 PolarHBondContact O-N 3.4Å; L560-E564 PolarHBondContact O-N 2.79Å; L560-E564 VanDerWaalsContact O-N 3.16Å; L560-L582 HydrophobicContact CD2-CD1 4.2Å; L560-I585 HydrophobicContact CD2-CD1 3.82Å; L560-I585 HydrophobicContact CD2-CG2 4.34Å; L560-I585 HydrophobicContact CG-CD1 4.07Å; L560-C619 HydrophobicContact CD1-CB 3.8Å; L560-Q622 HydrophobicContact CB-CB 3.96Å; L560-Q622 HydrophobicContact CD1-CB 4.31Å; L560-L623 HydrophobicContact CD1-CD2 4.49Å; L560-L623 HydrophobicContact CD1-CG 4.16Å; L560-L623 HydrophobicContact CD2-CD2 3.61Å; L560-L623 HydrophobicContact CD2-CG 4.14Å; L560-I626 HydrophobicContact CB-CD1 4.5Å; L560-I626 HydrophobicContact CD2-CD1 3.93Å
561	P	96.1	Very high	94.3	Very high	38 Å²	38	40.6 Å²	40.6	25%	0.247	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-31.2	173.4	-24.6	34.4	0	0	0	114.2	T557 T558 Q622	T557-P561 WeakPolarHBondContact O-CD 3.38Å; T558-P561 WeakPolarHBondContact O-CD 3.48Å; P561-Q622 HydrophobicContact CG-CG 4.45Å
562	Q	96.7	Very high	94.2	Very high	18 Å²	18	45.2 Å²	45.2	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-75.9	-38	176.4	-54.1	-53.7	-37.2	0	0	111.2	V529 V537 V559 L560 E564 K565 L566	V529-Q562 VanDerWaalsContact CG1-NE2 3.34Å; V529-Q562 HydrophobicContact CG2-CG 3.7Å; V537-Q562 HydrophobicContact CG1-CB 4.11Å; V537-Q562 HydrophobicContact CG1-CG 4.35Å; V559-Q562 WeakPolarHBondContact O-CA 3.39Å; V559-Q562 WeakPolarHBondContact O-CB 3.38Å; V559-Q562 PolarHBondContact O-N 3.2Å; L560-Q562 VanDerWaalsContact C-N 3.27Å; L560-Q562 PolarHBondContact O-N 2.83Å; Q562-E564 VanDerWaalsContact C-N 3.27Å; Q562-E564 PolarHBondContact O-N 2.93Å; Q562-K565 WeakPolarHBondContact O-CB 3.44Å; Q562-K565 PolarHBondContact O-N 3.2Å; Q562-K565 VanDerWaalsContact O-N 3.14Å; Q562-L566 VanDerWaalsContact O-CG 3.29Å; Q562-L566 WeakPolarHBondContact O-CG 3.25Å; Q562-L566 PolarHBondContact O-N 2.7Å
563	I	97	Very high	94.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.8	-45.2	173.8	-71.9	171.8	0	0	0	110.2	V559 L560 K565 L566 L567 L582 I585 I626	V559-I563 HydrophobicContact CG1-CD1 3.76Å; V559-I563 HydrophobicContact CG1-CG1 3.85Å; V559-I563 PolarHBondContact O-N 3.29Å; L560-I563 HydrophobicContact CD2-CD1 4.41Å; L560-I563 WeakPolarHBondContact O-CB 3.27Å; L560-I563 PolarHBondContact O-N 3.4Å; I563-K565 VanDerWaalsContact C-N 3.31Å; I563-K565 PolarHBondContact O-N 3.4Å; I563-L566 PolarHBondContact O-N 2.75Å; I563-L566 VanDerWaalsContact O-N 3.12Å; I563-L567 HydrophobicContact CG2-CD1 3.88Å; I563-L567 HydrophobicContact CG2-CG 4.07Å; I563-L567 WeakPolarHBondContact O-CB 3.39Å; I563-L567 VanDerWaalsContact O-CG 3.27Å; I563-L567 WeakPolarHBondContact O-CG 3.41Å; I563-L567 PolarHBondContact O-N 3.25Å; I563-L582 HydrophobicContact CD1-CB 4.41Å; I563-L582 HydrophobicContact CG2-CB 3.97Å; I563-L582 HydrophobicContact CG2-CD1 4.4Å; I563-L582 HydrophobicContact CG2-CD2 4.44Å; I563-I585 HydrophobicContact CD1-CD1 3.49Å; I563-I585 VanDerWaalsContact CD1-CD1 3.49Å; I563-I626 HydrophobicContact CG2-CD1 4.28Å
564	E	96	Very high	94.4	Very high	43 Å²	43	44.7 Å²	44.7	20%	0.201	22%	0.218	C	C	.	.	H	α-helix	trans	-55.3	-45.9	177	-172	173.5	-151.7	0	0	112.1	L560 Q562 L567 Q568 S625 I626 L629	L560-E564 PolarHBondContact O-N 2.79Å; L560-E564 VanDerWaalsContact O-N 3.16Å; Q562-E564 VanDerWaalsContact C-N 3.27Å; Q562-E564 PolarHBondContact O-N 2.93Å; E564-L567 PolarHBondContact O-N 2.92Å; E564-Q568 WeakPolarHBondContact O-CG 3.38Å; E564-Q568 PolarHBondContact O-N 3.31Å; E564-S625 PolarHBondContact OE1-OG 3.43Å; E564-I626 HydrophobicContact CB-CD1 4.36Å; E564-I626 HydrophobicContact CB-CG1 3.96Å; E564-I626 HydrophobicContact CG-CG1 4.28Å; E564-L629 HydrophobicContact CG-CD2 4.48Å
565	K	96.1	Very high	94.6	Very high	93 Å²	93	43.2 Å²	43.2	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-42.1	175.2	-63.6	178.1	-175.8	177.2	0	112.5	L534 Q562 I563 Q568 S569	L534-K565 HydrophobicContact CD1-CB 4.48Å; L534-K565 HydrophobicContact CD2-CB 4.13Å; L534-K565 HydrophobicContact CD2-CD 4.35Å; Q562-K565 WeakPolarHBondContact O-CB 3.44Å; Q562-K565 PolarHBondContact O-N 3.2Å; Q562-K565 VanDerWaalsContact O-N 3.14Å; I563-K565 VanDerWaalsContact C-N 3.31Å; I563-K565 PolarHBondContact O-N 3.4Å; K565-Q568 PolarHBondContact O-N 3.24Å; K565-S569 PolarHBondContact O-N 2.84Å
566	L	96.3	Very high	94.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-41.3	179.5	-69.5	177.6	0	0	0	111.7	L534 V538 L541 Q562 I563 Q568 S569 Y574 V575	L534-L566 HydrophobicContact CB-CD2 4.44Å; L534-L566 HydrophobicContact CD2-CD2 3.95Å; L534-L566 HydrophobicContact CD2-CG 4.43Å; V538-L566 HydrophobicContact CG2-CD1 4.24Å; V538-L566 HydrophobicContact CG2-CD2 3.42Å; V538-L566 VanDerWaalsContact CG2-CD2 3.42Å; V538-L566 HydrophobicContact CG2-CG 4.49Å; L541-L566 HydrophobicContact CD1-CD1 3.77Å; Q562-L566 VanDerWaalsContact O-CG 3.29Å; Q562-L566 WeakPolarHBondContact O-CG 3.25Å; Q562-L566 PolarHBondContact O-N 2.7Å; I563-L566 PolarHBondContact O-N 2.75Å; I563-L566 VanDerWaalsContact O-N 3.12Å; L566-Q568 PolarHBondContact O-N 3.04Å; L566-S569 WeakPolarHBondContact O-CB 3.37Å; L566-S569 PolarHBondContact O-N 3.44Å; L566-Y574 HydrophobicContact CD2-CD2 3.79Å; L566-Y574 HydrophobicContact CD2-CG 4.15Å; L566-V575 WeakPolarHBondContact O-CG2 3.43Å
567	L	94.3	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-25.5	176.7	-67.5	-179.4	0	0	0	112.4	I563 E564 V575 C579 L582 I626 L629 V630 K633 F644	I563-L567 HydrophobicContact CG2-CD1 3.88Å; I563-L567 HydrophobicContact CG2-CG 4.07Å; I563-L567 WeakPolarHBondContact O-CB 3.39Å; I563-L567 VanDerWaalsContact O-CG 3.27Å; I563-L567 WeakPolarHBondContact O-CG 3.41Å; I563-L567 PolarHBondContact O-N 3.25Å; E564-L567 PolarHBondContact O-N 2.92Å; L567-V575 HydrophobicContact CD2-CG1 4.44Å; L567-C579 HydrophobicContact CD2-CB 4.49Å; L567-C579 WeakPolarHBondContact CD2-SG 3.22Å; L567-L582 HydrophobicContact CD1-CD2 4Å; L567-I626 HydrophobicContact CD1-CG2 3.9Å; L567-L629 HydrophobicContact CB-CD2 3.71Å; L567-L629 HydrophobicContact CD1-CD2 4.37Å; L567-V630 HydrophobicContact CD1-CG2 4.28Å; L567-K633 PolarHBondContact O-NZ 2.93Å; L567-F644 HydrophobicContact CD2-CE1 3.97Å; L567-F644 HydrophobicContact CD2-CZ 4.06Å
568	Q	93.9	Very high	94.8	Very high	114 Å²	114	45.8 Å²	45.8	53%	0.533	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.7	174.1	-65.7	177.5	11.9	0	0	113.6	E564 K565 L566 L629	E564-Q568 WeakPolarHBondContact O-CG 3.38Å; E564-Q568 PolarHBondContact O-N 3.31Å; K565-Q568 PolarHBondContact O-N 3.24Å; L566-Q568 PolarHBondContact O-N 3.04Å; Q568-L629 HydrophobicContact CG-CD1 3.95Å; Q568-L629 HydrophobicContact CG-CD2 3.71Å; Q568-L629 HydrophobicContact CG-CG 4.5Å
569	S	94.1	Very high	94.8	Very high	25 Å²	25	44.9 Å²	44.9	18%	0.175	22%	0.216	C	C	.	.			trans	-63.7	147.8	-178	-173.6	0	0	0	0	112.6	K565 L566 Y571 V575	K565-S569 PolarHBondContact O-N 2.84Å; L566-S569 WeakPolarHBondContact O-CB 3.37Å; L566-S569 PolarHBondContact O-N 3.44Å; S569-Y571 VanDerWaalsContact C-N 3.27Å; S569-Y571 PolarHBondContact OG-N 3.01Å; S569-Y571 VanDerWaalsContact OG-N 3.15Å; S569-V575 WeakPolarHBondContact O-CG2 3.44Å
570	K	91.3	Very high	94.7	Very high	177 Å²	177	47.1 Å²	47.1	77%	0.77	23%	0.23	S	C	*	.	S	Bend	trans	-75.5	-15.5	169.6	66.4	-179.3	-178.8	-179.7	0	113.2
571	Y	91.9	Very high	94.7	Very high	120 Å²	120	47.1 Å²	47.1	47%	0.471	23%	0.23	S	C	.	.			trans	-89.5	120.3	-178.3	-61	-74.2	0	0	0	110.5	S569 S573 Y574 V575	S569-Y571 VanDerWaalsContact C-N 3.27Å; S569-Y571 PolarHBondContact OG-N 3.01Å; S569-Y571 VanDerWaalsContact OG-N 3.15Å; Y571-S573 VanDerWaalsContact C-N 3.3Å; Y571-S573 PolarHBondContact O-N 2.88Å; Y571-Y574 HydrophobicContact CD2-CD2 4.39Å; Y571-Y574 HydrophobicContact CD2-CE2 4.29Å; Y571-Y574 WeakPolarHBondContact O-CB 3.47Å; Y571-Y574 PolarHBondContact O-N 3.47Å; Y571-V575 PolarHBondContact O-N 3.38Å
572	E	90.3	Very high	94.7	Very high	108 Å²	108	45.3 Å²	45.3	51%	0.505	22%	0.218	S	C	.	.	H	α-helix	trans	-56.5	-41.7	-178.9	-71	-162.8	168.1	0	0	113.1	Y574 V575 Q576 R639	E572-Y574 PolarHBondContact O-N 3.41Å; E572-V575 PolarHBondContact O-N 2.87Å; E572-Q576 WeakPolarHBondContact O-CB 3.46Å; E572-Q576 PolarHBondContact O-N 2.91Å; E572-R639 IonicContact OE2-NH1 3.27Å; E572-R639 PolarHBondContact OE2-NH1 2.77Å
573	S	91.3	Very high	94.6	Very high	72 Å²	72	47.4 Å²	47.4	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-33.7	178.9	51.3	0	0	0	0	112.5	Y571 T577	Y571-S573 VanDerWaalsContact C-N 3.3Å; Y571-S573 PolarHBondContact O-N 2.88Å; S573-T577 PolarHBondContact O-N 2.83Å; S573-T577 PolarHBondContact O-OG1 2.95Å; S573-T577 VanDerWaalsContact O-OG1 3.1Å
574	Y	95.8	Very high	94.5	Very high	36 Å²	36	48.8 Å²	48.8	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-73.7	-43.3	-179	-73.5	32.8	0	0	0	109.8	L534 S535 V538 L566 Y571 E572 Q576 T577 G578	L534-Y574 HydrophobicContact CB-CD2 4.28Å; L534-Y574 HydrophobicContact CB-CE2 3.84Å; S535-Y574 VanDerWaalsContact CA-OH 3.3Å; S535-Y574 WeakPolarHBondContact CA-OH 3.46Å; S535-Y574 WeakPolarHBondContact CB-OH 3.2Å; V538-Y574 HydrophobicContact CG1-CD1 4.34Å; V538-Y574 HydrophobicContact CG2-CD1 3.89Å; V538-Y574 HydrophobicContact CG2-CD2 3.95Å; V538-Y574 HydrophobicContact CG2-CE1 4.22Å; V538-Y574 HydrophobicContact CG2-CE2 4.27Å; V538-Y574 HydrophobicContact CG2-CG 3.75Å; L566-Y574 HydrophobicContact CD2-CD2 3.79Å; L566-Y574 HydrophobicContact CD2-CG 4.15Å; Y571-Y574 HydrophobicContact CD2-CD2 4.39Å; Y571-Y574 HydrophobicContact CD2-CE2 4.29Å; Y571-Y574 WeakPolarHBondContact O-CB 3.47Å; Y571-Y574 PolarHBondContact O-N 3.47Å; E572-Y574 PolarHBondContact O-N 3.41Å; Y574-Q576 VanDerWaalsContact C-N 3.32Å; Y574-Q576 PolarHBondContact O-N 3.48Å; Y574-T577 PolarHBondContact O-N 2.81Å; Y574-G578 PolarHBondContact O-N 2.81Å
575	V	94.4	Very high	94.5	Very high	13 Å²	13	46.7 Å²	46.7	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-44.7	175.2	179.2	0	0	0	0	110.1	L566 L567 S569 Y571 E572 G578 C579 F644	L566-V575 WeakPolarHBondContact O-CG2 3.43Å; L567-V575 HydrophobicContact CD2-CG1 4.44Å; S569-V575 WeakPolarHBondContact O-CG2 3.44Å; Y571-V575 PolarHBondContact O-N 3.38Å; E572-V575 PolarHBondContact O-N 2.87Å; V575-G578 PolarHBondContact O-N 3.2Å; V575-C579 WeakPolarHBondContact O-CB 3.34Å; V575-C579 PolarHBondContact O-N 2.8Å; V575-C579 PolarHBondContact O-SG 3.5Å; V575-F644 HydrophobicContact CG1-CE2 3.92Å; V575-F644 HydrophobicContact CG1-CZ 3.76Å
576	Q	93.9	Very high	94.4	Very high	72 Å²	72	42.5 Å²	42.5	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-60.5	-48.2	177.4	-177.1	59.5	44.5	0	0	112.1	E572 Y574 G578 C579 T580 H640	E572-Q576 WeakPolarHBondContact O-CB 3.46Å; E572-Q576 PolarHBondContact O-N 2.91Å; Y574-Q576 VanDerWaalsContact C-N 3.32Å; Y574-Q576 PolarHBondContact O-N 3.48Å; Q576-G578 VanDerWaalsContact C-N 3.34Å; Q576-G578 PolarHBondContact O-N 2.9Å; Q576-C579 PolarHBondContact O-N 2.88Å; Q576-T580 PolarHBondContact NE2-OG1 3.29Å; Q576-T580 PolarHBondContact O-N 3.35Å; Q576-T580 PolarHBondContact O-OG1 3.32Å; Q576-H640 PolarHBondContact OE1-CD2 3.06Å; Q576-H640 VanDerWaalsContact OE1-CD2 3.27Å; Q576-H640 PolarHBondContact OE1-NE2 3.06Å
577	T	96.3	Very high	94.2	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-44	176.9	-60.8	0	0	0	0	111.2	V538 L541 N542 S573 Y574 T580 S581	V538-T577 HydrophobicContact CG1-CG2 4.29Å; L541-T577 HydrophobicContact CB-CG2 3.69Å; N542-T577 VanDerWaalsContact OD1-CG2 3.31Å; N542-T577 WeakPolarHBondContact OD1-CG2 3.29Å; N542-T577 PolarHBondContact OD1-OG1 2.82Å; S573-T577 PolarHBondContact O-N 2.83Å; S573-T577 PolarHBondContact O-OG1 2.95Å; S573-T577 VanDerWaalsContact O-OG1 3.1Å; Y574-T577 PolarHBondContact O-N 2.81Å; T577-T580 PolarHBondContact O-N 3.14Å; T577-S581 PolarHBondContact O-N 2.95Å; T577-S581 PolarHBondContact O-OG 2.87Å
578	G	96.4	Very high	94.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-44	176.1	0	0	0	0	0	113.2	Y574 V575 Q576 S581 L582	Y574-G578 PolarHBondContact O-N 2.81Å; V575-G578 PolarHBondContact O-N 3.2Å; Q576-G578 VanDerWaalsContact C-N 3.34Å; Q576-G578 PolarHBondContact O-N 2.9Å; G578-S581 PolarHBondContact O-N 2.63Å; G578-L582 VanDerWaalsContact O-CB 3.31Å; G578-L582 WeakPolarHBondContact O-CB 3.5Å; G578-L582 PolarHBondContact O-N 2.72Å
579	C	94.9	Very high	94.1	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-45.4	175.6	-75.3	0	0	0	0	111.9	L567 V575 Q576 L582 K583 L647	L567-C579 HydrophobicContact CD2-CB 4.49Å; L567-C579 WeakPolarHBondContact CD2-SG 3.22Å; V575-C579 WeakPolarHBondContact O-CB 3.34Å; V575-C579 PolarHBondContact O-N 2.8Å; V575-C579 PolarHBondContact O-SG 3.5Å; Q576-C579 PolarHBondContact O-N 2.88Å; C579-L582 PolarHBondContact O-N 3.04Å; C579-K583 WeakPolarHBondContact O-CB 3.01Å; C579-K583 PolarHBondContact O-N 3.44Å; C579-L647 HydrophobicContact CB-CD1 3.94Å
580	T	95.5	Very high	94	Very high	50 Å²	50	49.2 Å²	49.2	31%	0.307	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-47.2	178.1	-56.1	0	0	0	0	111.2	N545 Q576 T577 L582 K583 L584	N545-T580 HydrophobicContact CB-CG2 4.17Å; Q576-T580 PolarHBondContact NE2-OG1 3.29Å; Q576-T580 PolarHBondContact O-N 3.35Å; Q576-T580 PolarHBondContact O-OG1 3.32Å; T577-T580 PolarHBondContact O-N 3.14Å; T580-L582 PolarHBondContact O-N 2.87Å; T580-K583 PolarHBondContact O-N 3.3Å; T580-L584 WeakPolarHBondContact O-CG 3.46Å; T580-L584 PolarHBondContact O-N 2.89Å; T580-L584 VanDerWaalsContact O-N 3.13Å
581	S	96.4	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-43.5	177.2	-63.4	0	0	0	0	111.9	N545 T577 G578 K583 L584 I585	N545-S581 VanDerWaalsContact CG-OG 3.23Å; N545-S581 PolarHBondContact ND2-OG 3.15Å; N545-S581 WeakPolarHBondContact OD1-CA 3.21Å; N545-S581 PolarHBondContact OD1-OG 2.88Å; T577-S581 PolarHBondContact O-N 2.95Å; T577-S581 PolarHBondContact O-OG 2.87Å; G578-S581 PolarHBondContact O-N 2.63Å; S581-K583 PolarHBondContact O-N 3.15Å; S581-L584 PolarHBondContact O-N 3.28Å; S581-I585 WeakPolarHBondContact O-CG1 3.48Å; S581-I585 PolarHBondContact O-N 3.16Å; S581-I585 VanDerWaalsContact O-N 3.07Å
582	L	96.3	Very high	94.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-42.9	177.5	-175.5	59.2	0	0	0	111.8	L560 I563 L567 G578 C579 T580 L584 I585 L586 L623 I626 V630 L647 M651	L560-L582 HydrophobicContact CD2-CD1 4.2Å; I563-L582 HydrophobicContact CD1-CB 4.41Å; I563-L582 HydrophobicContact CG2-CB 3.97Å; I563-L582 HydrophobicContact CG2-CD1 4.4Å; I563-L582 HydrophobicContact CG2-CD2 4.44Å; L567-L582 HydrophobicContact CD1-CD2 4Å; G578-L582 VanDerWaalsContact O-CB 3.31Å; G578-L582 WeakPolarHBondContact O-CB 3.5Å; G578-L582 PolarHBondContact O-N 2.72Å; C579-L582 PolarHBondContact O-N 3.04Å; T580-L582 PolarHBondContact O-N 2.87Å; L582-L584 VanDerWaalsContact C-N 3.33Å; L582-L584 PolarHBondContact O-N 3.13Å; L582-I585 PolarHBondContact O-N 3.19Å; L582-L586 HydrophobicContact CD1-CD1 4.27Å; L582-L586 HydrophobicContact CD1-CG 4.21Å; L582-L586 HydrophobicContact CG-CD1 3.91Å; L582-L586 HydrophobicContact CG-CG 4.31Å; L582-L586 WeakPolarHBondContact O-CB 3.29Å; L582-L586 VanDerWaalsContact O-CG 3.27Å; L582-L586 WeakPolarHBondContact O-CG 3.47Å; L582-L586 PolarHBondContact O-N 2.85Å; L582-L623 HydrophobicContact CD1-CD2 3.81Å; L582-I626 HydrophobicContact CD1-CG2 4.27Å; L582-I626 HydrophobicContact CD2-CG2 3.57Å; L582-V630 HydrophobicContact CD2-CG2 4.1Å; L582-L647 HydrophobicContact CB-CD2 4.25Å; L582-L647 HydrophobicContact CD2-CD1 4.23Å; L582-L647 HydrophobicContact CD2-CD2 4.15Å; L582-L647 HydrophobicContact CG-CD2 4.05Å; L582-M651 HydrophobicContact CD2-SD 4.31Å
583	K	94.8	Very high	94.1	Very high	61 Å²	61	36.5 Å²	36.5	27%	0.265	18%	0.184	S	C	.	.	H	α-helix	trans	-58	-45.2	177.1	-174.2	173.8	-178.4	167	0	111.6	C579 T580 S581 L586 Q587 E646 L647 L650	C579-K583 WeakPolarHBondContact O-CB 3.01Å; C579-K583 PolarHBondContact O-N 3.44Å; T580-K583 PolarHBondContact O-N 3.3Å; S581-K583 PolarHBondContact O-N 3.15Å; K583-L586 PolarHBondContact O-N 3.4Å; K583-Q587 WeakPolarHBondContact O-CB 3.26Å; K583-Q587 WeakPolarHBondContact O-CG 3.25Å; K583-Q587 PolarHBondContact O-N 3.39Å; K583-E646 VanDerWaalsContact CE-OE1 3.27Å; K583-E646 WeakPolarHBondContact CE-OE1 3.48Å; K583-E646 IonicContact NZ-OE1 2.77Å; K583-E646 PolarHBondContact NZ-OE1 2.91Å; K583-E646 IonicContact NZ-OE2 2.66Å; K583-E646 PolarHBondContact NZ-OE2 2.64Å; K583-L647 HydrophobicContact CB-CD2 3.92Å; K583-L650 HydrophobicContact CG-CD1 4.22Å
584	L	94.6	Very high	94.1	Very high	29 Å²	29	34.9 Å²	34.9	15%	0.152	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-43.1	177.3	-71.7	172.7	0	0	0	112.2	N545 A548 T580 S581 L582 Q587 R588	N545-L584 HydrophobicContact CB-CD1 4.19Å; A548-L584 HydrophobicContact CB-CD2 4.48Å; T580-L584 WeakPolarHBondContact O-CG 3.46Å; T580-L584 PolarHBondContact O-N 2.89Å; T580-L584 VanDerWaalsContact O-N 3.13Å; S581-L584 PolarHBondContact O-N 3.28Å; L582-L584 VanDerWaalsContact C-N 3.33Å; L582-L584 PolarHBondContact O-N 3.13Å; L584-Q587 PolarHBondContact O-N 2.77Å; L584-R588 PolarHBondContact O-N 3.11Å; L584-R588 VanDerWaalsContact O-N 3.14Å
585	I	95.6	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-47.2	177	-64.9	169.7	0	0	0	110.4	W551 L560 I563 S581 L582 Q587 R588 F589 L590	W551-I585 HydrophobicContact CE3-CD1 4.32Å; W551-I585 HydrophobicContact CE3-CG1 3.84Å; W551-I585 HydrophobicContact CH2-CD1 4Å; W551-I585 HydrophobicContact CH2-CG1 4.09Å; W551-I585 HydrophobicContact CZ3-CD1 3.55Å; W551-I585 HydrophobicContact CZ3-CG1 3.54Å; L560-I585 HydrophobicContact CD2-CD1 3.82Å; L560-I585 HydrophobicContact CD2-CG2 4.34Å; L560-I585 HydrophobicContact CG-CD1 4.07Å; I563-I585 HydrophobicContact CD1-CD1 3.49Å; I563-I585 VanDerWaalsContact CD1-CD1 3.49Å; S581-I585 WeakPolarHBondContact O-CG1 3.48Å; S581-I585 PolarHBondContact O-N 3.16Å; S581-I585 VanDerWaalsContact O-N 3.07Å; L582-I585 PolarHBondContact O-N 3.19Å; I585-Q587 PolarHBondContact O-N 2.75Å; I585-R588 PolarHBondContact O-N 3.25Å; I585-F589 HydrophobicContact CG2-CB 4.48Å; I585-F589 WeakPolarHBondContact O-CB 3.42Å; I585-F589 PolarHBondContact O-N 3.38Å; I585-L590 PolarHBondContact O-N 3.45Å
586	L	94.4	Very high	93.5	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-44.1	-179.7	-68.5	170.2	0	0	0	111.6	L582 K583 R588 L590 L623 L647 L650 M651	L582-L586 HydrophobicContact CD1-CD1 4.27Å; L582-L586 HydrophobicContact CD1-CG 4.21Å; L582-L586 HydrophobicContact CG-CD1 3.91Å; L582-L586 HydrophobicContact CG-CG 4.31Å; L582-L586 WeakPolarHBondContact O-CB 3.29Å; L582-L586 VanDerWaalsContact O-CG 3.27Å; L582-L586 WeakPolarHBondContact O-CG 3.47Å; L582-L586 PolarHBondContact O-N 2.85Å; K583-L586 PolarHBondContact O-N 3.4Å; L586-R588 PolarHBondContact O-N 3.42Å; L586-L590 HydrophobicContact CD2-CD1 4.49Å; L586-L590 HydrophobicContact CD2-CD2 4.02Å; L586-L590 WeakPolarHBondContact O-CB 3.19Å; L586-L590 PolarHBondContact O-N 2.85Å; L586-L623 HydrophobicContact CD2-CD2 3.92Å; L586-L647 HydrophobicContact CD1-CD2 3.84Å; L586-L650 HydrophobicContact CB-CB 4.47Å; L586-L650 HydrophobicContact CD1-CB 4.07Å; L586-M651 HydrophobicContact CD1-CG 3.52Å; L586-M651 HydrophobicContact CD1-SD 4.06Å; L586-M651 HydrophobicContact CD2-CG 3.69Å; L586-M651 HydrophobicContact CG-CG 4.28Å
587	Q	92.1	Very high	93.2	Very high	105 Å²	105	38.8 Å²	38.8	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-68.5	-33.5	-178.2	-73.6	179.2	-20.9	0	0	113.6	K583 L584 I585 L650	K583-Q587 WeakPolarHBondContact O-CB 3.26Å; K583-Q587 WeakPolarHBondContact O-CG 3.25Å; K583-Q587 PolarHBondContact O-N 3.39Å; L584-Q587 PolarHBondContact O-N 2.77Å; I585-Q587 PolarHBondContact O-N 2.75Å; Q587-L650 HydrophobicContact CG-CD1 4.47Å
588	R	91.7	Very high	92.8	Very high	140 Å²	140	42.6 Å²	42.6	53%	0.528	23%	0.228	S	C	.	.	H	α-helix	trans	-99.9	-37.1	-173.5	-70.2	-167.9	170.8	-136.9	-7.5	114.6	A548 L584 I585 L586	A548-R588 VanDerWaalsContact CB-NH2 3.33Å; A548-R588 PolarHBondContact O-NH1 2.93Å; L584-R588 PolarHBondContact O-N 3.11Å; L584-R588 VanDerWaalsContact O-N 3.14Å; I585-R588 PolarHBondContact O-N 3.25Å; L586-R588 PolarHBondContact O-N 3.42Å
589	F	94.3	Very high	92.2	Very high	24 Å²	24	44.4 Å²	44.4	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-110.9	-17.5	-169.4	-62.4	-84.4	0	0	0	113.4	W551 L553 I585 L592 I593	W551-F589 HydrophobicContact CB-CE2 3.69Å; W551-F589 HydrophobicContact CB-CZ 3.97Å; W551-F589 WeakPolarHBondContact O-CZ 3.49Å; L553-F589 HydrophobicContact CB-CD1 4.48Å; L553-F589 HydrophobicContact CD1-CD1 4.39Å; I585-F589 HydrophobicContact CG2-CB 4.48Å; I585-F589 WeakPolarHBondContact O-CB 3.42Å; I585-F589 PolarHBondContact O-N 3.38Å; F589-L592 HydrophobicContact CD1-CD2 4.42Å; F589-L592 PolarHBondContact O-N 3.34Å; F589-I593 HydrophobicContact CB-CD1 4.11Å; F589-I593 WeakPolarHBondContact O-CB 3.44Å; F589-I593 WeakPolarHBondContact O-CD1 3.48Å; F589-I593 WeakPolarHBondContact O-CG1 3.1Å; F589-I593 PolarHBondContact O-N 3.26Å
590	L	92.8	Very high	91.4	Very high	11 Å²	11	49 Å²	49	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-46.5	179.4	-173.5	61.9	0	0	0	112.8	I585 L586 L592 I593 T594 L623 L650 S653 L654	I585-L590 PolarHBondContact O-N 3.45Å; L586-L590 HydrophobicContact CD2-CD1 4.49Å; L586-L590 HydrophobicContact CD2-CD2 4.02Å; L586-L590 WeakPolarHBondContact O-CB 3.19Å; L586-L590 PolarHBondContact O-N 2.85Å; L590-L592 VanDerWaalsContact C-N 3.35Å; L590-L592 PolarHBondContact O-N 3.23Å; L590-I593 PolarHBondContact O-N 3.38Å; L590-I593 VanDerWaalsContact O-N 3.17Å; L590-T594 HydrophobicContact CD1-CG2 4.15Å; L590-T594 HydrophobicContact CG-CG2 4.45Å; L590-T594 PolarHBondContact O-N 3.2Å; L590-T594 PolarHBondContact O-OG1 3.1Å; L590-T594 VanDerWaalsContact O-OG1 3.06Å; L590-L623 HydrophobicContact CD1-CD1 4.35Å; L590-L650 WeakPolarHBondContact CD2-O 3.45Å; L590-S653 WeakPolarHBondContact CD2-OG 3.43Å; L590-L654 HydrophobicContact CD1-CD1 4.22Å; L590-L654 HydrophobicContact CD1-CD2 3.51Å; L590-L654 HydrophobicContact CD1-CG 3.89Å
591	P	92	Very high	90.3	Very high	68 Å²	68	52.5 Å²	52.5	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-45	177.3	-23.4	34.9	0	0	0	112.1	I593 T594 D595	P591-I593 VanDerWaalsContact C-N 3.34Å; P591-I593 PolarHBondContact O-N 2.91Å; P591-T594 WeakPolarHBondContact CA-OG1 3.48Å; P591-T594 PolarHBondContact O-N 2.9Å; P591-T594 PolarHBondContact O-OG1 3.45Å; P591-D595 VanDerWaalsContact O-CB 3.28Å; P591-D595 WeakPolarHBondContact O-CB 3.37Å; P591-D595 PolarHBondContact O-N 3.34Å
592	L	91.4	Very high	88.9	Confident	69 Å²	69	54.5 Å²	54.5	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-42.3	176.2	178	68.6	0	0	0	112.2	F589 L590 M596	F589-L592 HydrophobicContact CD1-CD2 4.42Å; F589-L592 PolarHBondContact O-N 3.34Å; L590-L592 VanDerWaalsContact C-N 3.35Å; L590-L592 PolarHBondContact O-N 3.23Å; L592-M596 HydrophobicContact CD1-CG 4.04Å; L592-M596 VanDerWaalsContact O-CB 3.25Å; L592-M596 WeakPolarHBondContact O-CB 3.47Å; L592-M596 WeakPolarHBondContact O-CG 3.49Å; L592-M596 PolarHBondContact O-N 3.44Å; L592-M596 VanDerWaalsContact O-N 3.07Å
593	I	91.6	Very high	87.3	Confident	0 Å²	0	62 Å²	62	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66	-46.4	179.8	-69.9	162.9	0	0	0	110.1	L553 F589 L590 P591 L597 C616 C619 Y620 L623	L553-I593 HydrophobicContact CD1-CG1 4.37Å; F589-I593 HydrophobicContact CB-CD1 4.11Å; F589-I593 WeakPolarHBondContact O-CB 3.44Å; F589-I593 WeakPolarHBondContact O-CD1 3.48Å; F589-I593 WeakPolarHBondContact O-CG1 3.1Å; F589-I593 PolarHBondContact O-N 3.26Å; L590-I593 PolarHBondContact O-N 3.38Å; L590-I593 VanDerWaalsContact O-N 3.17Å; P591-I593 VanDerWaalsContact C-N 3.34Å; P591-I593 PolarHBondContact O-N 2.91Å; I593-L597 HydrophobicContact CG2-CD1 3.92Å; I593-L597 WeakPolarHBondContact O-CB 3.5Å; I593-L597 WeakPolarHBondContact O-CD1 3.34Å; I593-L597 WeakPolarHBondContact O-CG 3.15Å; I593-L597 PolarHBondContact O-N 2.87Å; I593-L597 VanDerWaalsContact O-N 3.17Å; I593-C616 HydrophobicContact CG1-CB 4.37Å; I593-C616 HydrophobicContact CG2-CB 4.37Å; I593-C619 HydrophobicContact CD1-CB 3.73Å; I593-C619 HydrophobicContact CG1-CB 4.43Å; I593-Y620 HydrophobicContact CG2-CD2 4.19Å; I593-L623 HydrophobicContact CD1-CD1 4.01Å
594	T	91.1	Very high	86.1	Confident	39 Å²	39	61.7 Å²	61.7	24%	0.239	37%	0.369	C	S	.	.	H	α-helix	trans	-67.1	-44.8	-179.6	50.6	0	0	0	0	111.8	L590 P591 M596 L597 A598	L590-T594 HydrophobicContact CD1-CG2 4.15Å; L590-T594 HydrophobicContact CG-CG2 4.45Å; L590-T594 PolarHBondContact O-N 3.2Å; L590-T594 PolarHBondContact O-OG1 3.1Å; L590-T594 VanDerWaalsContact O-OG1 3.06Å; P591-T594 WeakPolarHBondContact CA-OG1 3.48Å; P591-T594 PolarHBondContact O-N 2.9Å; P591-T594 PolarHBondContact O-OG1 3.45Å; T594-M596 PolarHBondContact O-N 3.39Å; T594-L597 PolarHBondContact O-N 3.15Å; T594-A598 WeakPolarHBondContact O-CB 3.18Å; T594-A598 PolarHBondContact O-N 3.13Å
595	D	89.5	Confident	84.9	Confident	108 Å²	108	66.4 Å²	66.4	58%	0.578	40%	0.399	S	S	*	.	H	α-helix	trans	-65.2	-41.1	-178.7	-67.4	-9.6	0	0	0	111.4	P591 L597 A598 A599	P591-D595 VanDerWaalsContact O-CB 3.28Å; P591-D595 WeakPolarHBondContact O-CB 3.37Å; P591-D595 PolarHBondContact O-N 3.34Å; D595-L597 VanDerWaalsContact C-N 3.34Å; D595-L597 PolarHBondContact O-N 3.41Å; D595-A598 PolarHBondContact O-N 3.44Å; D595-A599 WeakPolarHBondContact O-CB 3.38Å; D595-A599 PolarHBondContact O-N 2.95Å
596	M	87.9	Confident	83.9	Confident	34 Å²	34	69.7 Å²	69.7	17%	0.167	42%	0.416	C	S	.	.	H	α-helix	trans	-69.6	-30.1	178	-73.5	-65.1	-89.6	0	0	113.2	L592 T594 R609 R612 L613	L592-M596 HydrophobicContact CD1-CG 4.04Å; L592-M596 VanDerWaalsContact O-CB 3.25Å; L592-M596 WeakPolarHBondContact O-CB 3.47Å; L592-M596 WeakPolarHBondContact O-CG 3.49Å; L592-M596 PolarHBondContact O-N 3.44Å; L592-M596 VanDerWaalsContact O-N 3.07Å; T594-M596 PolarHBondContact O-N 3.39Å; M596-R609 HydrophobicContact CE-CG 4.19Å; M596-R612 HydrophobicContact CE-CB 4.34Å; M596-R612 HydrophobicContact CE-CG 4.18Å; M596-L613 WeakPolarHBondContact O-CD1 3.49Å
597	L	88.1	Confident	82.9	Confident	61 Å²	61	74.6 Å²	74.6	32%	0.319	44%	0.442	S	S	.	.	H	α-helix	trans	-78	-29	174.7	-69.9	172.1	0	0	0	112.5	I593 T594 D595 L613 R617 Y620	I593-L597 HydrophobicContact CG2-CD1 3.92Å; I593-L597 WeakPolarHBondContact O-CB 3.5Å; I593-L597 WeakPolarHBondContact O-CD1 3.34Å; I593-L597 WeakPolarHBondContact O-CG 3.15Å; I593-L597 PolarHBondContact O-N 2.87Å; I593-L597 VanDerWaalsContact O-N 3.17Å; T594-L597 PolarHBondContact O-N 3.15Å; D595-L597 VanDerWaalsContact C-N 3.34Å; D595-L597 PolarHBondContact O-N 3.41Å; L597-L613 HydrophobicContact CD2-CD1 4.12Å; L597-R617 HydrophobicContact CD2-CB 4.48Å; L597-R617 HydrophobicContact CD2-CG 3.5Å; L597-Y620 HydrophobicContact CD1-CD1 4.15Å; L597-Y620 HydrophobicContact CD1-CD2 3.63Å; L597-Y620 HydrophobicContact CD1-CE2 4.36Å; L597-Y620 HydrophobicContact CD1-CG 3.52Å
598	A	87.3	Confident	82.3	Confident	86 Å²	86	72.5 Å²	72.5	71%	0.711	44%	0.439	S	S	*	.	H	α-helix	trans	-81.9	-20.6	175.9	0	0	0	0	0	113.3	T594 D595	T594-A598 WeakPolarHBondContact O-CB 3.18Å; T594-A598 PolarHBondContact O-N 3.13Å; D595-A598 PolarHBondContact O-N 3.44Å
599	A	84	Confident	81.8	Confident	37 Å²	37	69.5 Å²	69.5	31%	0.306	43%	0.427	S	S	.	.	S	Bend	trans	-63.1	140.4	-178	0	0	0	0	0	112.5	D595	D595-A599 WeakPolarHBondContact O-CB 3.38Å; D595-A599 PolarHBondContact O-N 2.95Å
600	P	78.1	Confident	81.3	Confident	102 Å²	102	73.1 Å²	73.1	66%	0.662	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-63.9	153	176.5	27.3	-34.2	0	0	0	111.3	S602 R609	P600-S602 PolarHBondContact O-N 3.4Å; P600-R609 PolarHBondContact O-NH2 3.22Å
601	P	73.1	Confident	81	Confident	124 Å²	124	77.7 Å²	77.7	81%	0.805	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-57.3	134.4	178.2	24.2	-32.8	0	0	0	110.3
602	S	67.3	Low	80.8	Confident	42 Å²	42	79.9 Å²	79.9	29%	0.294	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-64.6	137.3	175.5	39.1	0	0	0	0	110.7	P600 G604	P600-S602 PolarHBondContact O-N 3.4Å; S602-G604 PolarHBondContact O-N 3.09Å
603	V	62.5	Low	80.7	Confident	157 Å²	157	78.7 Å²	78.7	95%	0.952	46%	0.459	S	S	*	.	S	Bend	trans	-85.3	107.3	166.7	-177.9	0	0	0	0	107.4
604	G	69.6	Low	80.7	Confident	54 Å²	54	84.7 Å²	84.7	56%	0.557	49%	0.487	S	S	*	.	S	Bend	trans	120.1	168.5	-177.3	0	0	0	0	0	113.4	S602	S602-G604 PolarHBondContact O-N 3.09Å
605	V	68.3	Low	80.7	Confident	128 Å²	128	85.2 Å²	85.2	78%	0.776	49%	0.485	S	S	*	.			trans	-93.4	98.9	179.2	-176.9	0	0	0	0	108.9	I607	V605-I607 HydrophobicContact CG1-CG1 4.09Å
606	D	74.4	Confident	81	Confident	69 Å²	69	80 Å²	80	37%	0.369	46%	0.458	S	S	.	.			trans	-114.1	91.2	170.7	-178.3	-8.1	0	0	0	109.1	S608 R609 E610	D606-S608 PolarHBondContact O-N 2.81Å; D606-S608 WeakPolarHBondContact OD1-CB 3.26Å; D606-S608 PolarHBondContact OD1-N 2.62Å; D606-S608 VanDerWaalsContact OD1-N 3.13Å; D606-S608 PolarHBondContact OD1-OG 3.11Å; D606-R609 HydrophobicContact CB-CB 3.96Å; D606-R609 VanDerWaalsContact CG-CB 3.46Å; D606-R609 PolarHBondContact O-N 2.84Å; D606-R609 VanDerWaalsContact O-N 3.15Å; D606-R609 PolarHBondContact OD1-N 3.29Å; D606-R609 VanDerWaalsContact OD1-N 3.13Å; D606-R609 WeakPolarHBondContact OD2-CB 3.38Å; D606-E610 WeakPolarHBondContact O-CG 3.32Å; D606-E610 PolarHBondContact O-N 3.11Å
607	I	73.3	Confident	81.2	Confident	108 Å²	108	85.5 Å²	85.5	55%	0.554	48%	0.477	S	S	*	.	H	α-helix	trans	-56.2	-37.5	-177.4	-58.2	171	0	0	0	110.7	V605 E610 E611	V605-I607 HydrophobicContact CG1-CG1 4.09Å; I607-E610 PolarHBondContact O-N 3.49Å; I607-E611 HydrophobicContact CG2-CG 4.44Å; I607-E611 WeakPolarHBondContact O-CB 3.18Å; I607-E611 VanDerWaalsContact O-CG 3.31Å; I607-E611 WeakPolarHBondContact O-CG 3.33Å; I607-E611 PolarHBondContact O-N 2.91Å
608	S	79.4	Confident	81.5	Confident	61 Å²	61	86 Å²	86	43%	0.427	48%	0.479	S	S	.	.	H	α-helix	trans	-69.3	-38.1	-177.9	78.5	0	0	0	0	112.3	D606 R612	D606-S608 PolarHBondContact O-N 2.81Å; D606-S608 WeakPolarHBondContact OD1-CB 3.26Å; D606-S608 PolarHBondContact OD1-N 2.62Å; D606-S608 VanDerWaalsContact OD1-N 3.13Å; D606-S608 PolarHBondContact OD1-OG 3.11Å; S608-R612 WeakPolarHBondContact O-CB 3.45Å; S608-R612 PolarHBondContact O-N 3.06Å; S608-R612 VanDerWaalsContact O-N 3.11Å
609	R	82.3	Confident	81.9	Confident	77 Å²	77	82 Å²	82	29%	0.291	45%	0.446	S	S	.	.	H	α-helix	trans	-71.4	-40.4	175.5	-177.8	175.9	176.1	-173.8	-10.1	111.2	M596 P600 D606 R612 L613	M596-R609 HydrophobicContact CE-CG 4.19Å; P600-R609 PolarHBondContact O-NH2 3.22Å; D606-R609 HydrophobicContact CB-CB 3.96Å; D606-R609 VanDerWaalsContact CG-CB 3.46Å; D606-R609 PolarHBondContact O-N 2.84Å; D606-R609 VanDerWaalsContact O-N 3.15Å; D606-R609 PolarHBondContact OD1-N 3.29Å; D606-R609 VanDerWaalsContact OD1-N 3.13Å; D606-R609 WeakPolarHBondContact OD2-CB 3.38Å; R609-R612 PolarHBondContact O-N 3.13Å; R609-L613 WeakPolarHBondContact O-CB 3.34Å; R609-L613 PolarHBondContact O-N 2.92Å
610	E	83.6	Confident	82.4	Confident	101 Å²	101	83.4 Å²	83.4	47%	0.472	44%	0.444	S	S	.	.	H	α-helix	trans	-64.3	-43.3	176.3	-73.3	-178.4	-174.9	0	0	112.2	D606 I607 R612 L613 H614	D606-E610 WeakPolarHBondContact O-CG 3.32Å; D606-E610 PolarHBondContact O-N 3.11Å; I607-E610 PolarHBondContact O-N 3.49Å; E610-R612 VanDerWaalsContact C-N 3.35Å; E610-R612 PolarHBondContact O-N 3.19Å; E610-L613 PolarHBondContact O-N 2.58Å; E610-H614 WeakPolarHBondContact O-CB 3.45Å; E610-H614 PolarHBondContact O-N 3.05Å
611	E	86	Confident	83.2	Confident	107 Å²	107	85.9 Å²	85.9	50%	0.5	44%	0.444	S	S	.	.	H	α-helix	trans	-60.8	-42.8	173.4	-77.6	-179.2	-177.3	0	0	112	I607 H614 K615	I607-E611 HydrophobicContact CG2-CG 4.44Å; I607-E611 WeakPolarHBondContact O-CB 3.18Å; I607-E611 VanDerWaalsContact O-CG 3.31Å; I607-E611 WeakPolarHBondContact O-CG 3.33Å; I607-E611 PolarHBondContact O-N 2.91Å; E611-H614 PolarHBondContact O-N 3.19Å; E611-K615 WeakPolarHBondContact O-CG 3.38Å; E611-K615 PolarHBondContact O-N 3.27Å
612	R	87.8	Confident	84.2	Confident	114 Å²	114	82.1 Å²	82.1	43%	0.43	42%	0.416	S	S	.	.	H	α-helix	trans	-65	-43.1	177.1	-166.5	176.1	-61.1	124.3	3.5	111.4	L553 M596 S608 R609 E610 H614 K615 C616	L553-R612 HydrophobicContact CD2-CG 3.71Å; M596-R612 HydrophobicContact CE-CB 4.34Å; M596-R612 HydrophobicContact CE-CG 4.18Å; S608-R612 WeakPolarHBondContact O-CB 3.45Å; S608-R612 PolarHBondContact O-N 3.06Å; S608-R612 VanDerWaalsContact O-N 3.11Å; R609-R612 PolarHBondContact O-N 3.13Å; E610-R612 VanDerWaalsContact C-N 3.35Å; E610-R612 PolarHBondContact O-N 3.19Å; R612-H614 VanDerWaalsContact C-N 3.33Å; R612-H614 PolarHBondContact O-N 3.27Å; R612-K615 PolarHBondContact O-N 3.35Å; R612-C616 PolarHBondContact O-N 3.42Å; R612-C616 PolarHBondContact O-SG 3.31Å; R612-C616 VanDerWaalsContact O-SG 3.36Å
613	L	89	Confident	85.6	Confident	43 Å²	43	80.2 Å²	80.2	23%	0.225	40%	0.402	C	S	.	.	H	α-helix	trans	-61.1	-42	175.2	-179.1	64.4	0	0	0	111.5	M596 L597 R609 E610 C616 R617	M596-L613 WeakPolarHBondContact O-CD1 3.49Å; L597-L613 HydrophobicContact CD2-CD1 4.12Å; R609-L613 WeakPolarHBondContact O-CB 3.34Å; R609-L613 PolarHBondContact O-N 2.92Å; E610-L613 PolarHBondContact O-N 2.58Å; L613-C616 PolarHBondContact O-N 3.08Å; L613-R617 WeakPolarHBondContact O-CG 3.43Å; L613-R617 PolarHBondContact O-N 3.44Å
614	H	91.3	Very high	87	Confident	127 Å²	127	78.4 Å²	78.4	59%	0.588	38%	0.382	S	S	*	.	H	α-helix	trans	-59.7	-46.6	175.9	-176.8	79.6	0	0	0	111.7	E610 E611 R612 R617 L618	E610-H614 WeakPolarHBondContact O-CB 3.45Å; E610-H614 PolarHBondContact O-N 3.05Å; E611-H614 PolarHBondContact O-N 3.19Å; R612-H614 VanDerWaalsContact C-N 3.33Å; R612-H614 PolarHBondContact O-N 3.27Å; H614-R617 PolarHBondContact O-N 3.25Å; H614-L618 PolarHBondContact O-N 3.17Å
615	K	93.1	Very high	88.1	Confident	49 Å²	49	78.5 Å²	78.5	21%	0.213	37%	0.374	C	S	.	.	H	α-helix	trans	-62.5	-43.2	175.8	-68.1	167.3	-177.8	174.9	0	111.9	L553 D554 T557 E611 R612 R617 L618 C619	L553-K615 HydrophobicContact CD2-CB 3.91Å; L553-K615 HydrophobicContact CG-CB 4.1Å; D554-K615 WeakPolarHBondContact OD1-CD 3.28Å; D554-K615 WeakPolarHBondContact OD1-CE 3.41Å; D554-K615 IonicContact OD1-NZ 3.04Å; D554-K615 PolarHBondContact OD1-NZ 2.88Å; D554-K615 IonicContact OD2-NZ 2.94Å; D554-K615 PolarHBondContact OD2-NZ 2.82Å; T557-K615 HydrophobicContact CG2-CB 4.11Å; T557-K615 HydrophobicContact CG2-CG 4.36Å; E611-K615 WeakPolarHBondContact O-CG 3.38Å; E611-K615 PolarHBondContact O-N 3.27Å; R612-K615 PolarHBondContact O-N 3.35Å; K615-R617 PolarHBondContact O-N 3.18Å; K615-L618 PolarHBondContact O-N 3.25Å; K615-C619 PolarHBondContact O-N 2.79Å; K615-C619 PolarHBondContact O-SG 3.48Å; K615-C619 VanDerWaalsContact O-SG 3.42Å
616	C	93.9	Very high	89.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-42.1	174.6	-71.4	0	0	0	0	112.2	I593 R612 L613 L618 C619 Y620	I593-C616 HydrophobicContact CG1-CB 4.37Å; I593-C616 HydrophobicContact CG2-CB 4.37Å; R612-C616 PolarHBondContact O-N 3.42Å; R612-C616 PolarHBondContact O-SG 3.31Å; R612-C616 VanDerWaalsContact O-SG 3.36Å; L613-C616 PolarHBondContact O-N 3.08Å; C616-L618 PolarHBondContact O-N 3.5Å; C616-C619 PolarHBondContact O-N 3.21Å; C616-Y620 VanDerWaalsContact O-CB 3.28Å; C616-Y620 WeakPolarHBondContact O-CB 3.2Å; C616-Y620 PolarHBondContact O-N 3.28Å
617	R	93.3	Very high	90.3	Very high	149 Å²	149	69.4 Å²	69.4	56%	0.562	32%	0.321	S	S	*	.	H	α-helix	trans	-61.1	-42.6	175	-74.8	177	-175.9	165.9	2.3	112.1	L597 L613 H614 K615 Y620 K621	L597-R617 HydrophobicContact CD2-CB 4.48Å; L597-R617 HydrophobicContact CD2-CG 3.5Å; L613-R617 WeakPolarHBondContact O-CG 3.43Å; L613-R617 PolarHBondContact O-N 3.44Å; H614-R617 PolarHBondContact O-N 3.25Å; K615-R617 PolarHBondContact O-N 3.18Å; R617-Y620 PolarHBondContact O-N 3.44Å; R617-K621 WeakPolarHBondContact O-CB 3.31Å; R617-K621 PolarHBondContact O-N 3.11Å
618	L	93.9	Very high	91	Very high	72 Å²	72	66.5 Å²	66.5	38%	0.377	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-47.6	177.8	-174.5	63.5	0	0	0	111.2	T557 H614 K615 C616 Y620 K621 Q622	T557-L618 HydrophobicContact CG2-CB 4.41Å; T557-L618 HydrophobicContact CG2-CD2 3.94Å; T557-L618 HydrophobicContact CG2-CG 4.45Å; H614-L618 PolarHBondContact O-N 3.17Å; K615-L618 PolarHBondContact O-N 3.25Å; C616-L618 PolarHBondContact O-N 3.5Å; L618-Y620 PolarHBondContact O-N 2.63Å; L618-K621 PolarHBondContact O-N 3.35Å; L618-Q622 WeakPolarHBondContact O-CG 3.29Å; L618-Q622 PolarHBondContact O-N 3.23Å; L618-Q622 VanDerWaalsContact O-N 3.12Å
619	C	95.8	Very high	91.5	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-46.7	175.4	-71.6	0	0	0	0	111.6	T557 L560 I593 K615 C616 K621 Q622 L623	T557-C619 VanDerWaalsContact CG2-SG 3.5Å; L560-C619 HydrophobicContact CD1-CB 3.8Å; I593-C619 HydrophobicContact CD1-CB 3.73Å; I593-C619 HydrophobicContact CG1-CB 4.43Å; K615-C619 PolarHBondContact O-N 2.79Å; K615-C619 PolarHBondContact O-SG 3.48Å; K615-C619 VanDerWaalsContact O-SG 3.42Å; C616-C619 PolarHBondContact O-N 3.21Å; C619-K621 PolarHBondContact O-N 3.33Å; C619-Q622 PolarHBondContact O-N 2.89Å; C619-L623 WeakPolarHBondContact O-CB 3.5Å; C619-L623 VanDerWaalsContact O-CG 3.29Å; C619-L623 WeakPolarHBondContact O-CG 3.25Å; C619-L623 PolarHBondContact O-N 2.81Å
620	Y	94.7	Very high	92	Very high	67 Å²	67	61.1 Å²	61.1	26%	0.263	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-43.6	179.3	-177.4	-93.2	0	0	0	112.2	I593 L597 C616 R617 L618 Q622 L623 K624 L654	I593-Y620 HydrophobicContact CG2-CD2 4.19Å; L597-Y620 HydrophobicContact CD1-CD1 4.15Å; L597-Y620 HydrophobicContact CD1-CD2 3.63Å; L597-Y620 HydrophobicContact CD1-CE2 4.36Å; L597-Y620 HydrophobicContact CD1-CG 3.52Å; C616-Y620 VanDerWaalsContact O-CB 3.28Å; C616-Y620 WeakPolarHBondContact O-CB 3.2Å; C616-Y620 PolarHBondContact O-N 3.28Å; R617-Y620 PolarHBondContact O-N 3.44Å; L618-Y620 PolarHBondContact O-N 2.63Å; Y620-Q622 VanDerWaalsContact C-N 3.32Å; Y620-Q622 PolarHBondContact O-N 3.35Å; Y620-L623 PolarHBondContact O-N 2.92Å; Y620-K624 HydrophobicContact CE1-CD 4.48Å; Y620-K624 WeakPolarHBondContact O-CB 3.37Å; Y620-K624 PolarHBondContact O-N 2.9Å; Y620-L654 HydrophobicContact CD2-CD2 3.61Å; Y620-L654 HydrophobicContact CE2-CD2 3.41Å; Y620-L654 VanDerWaalsContact CE2-CD2 3.41Å; Y620-L654 PolarHBondContact OH-O 3.44Å
621	K	94.1	Very high	92.3	Very high	153 Å²	153	61.8 Å²	61.8	67%	0.665	29%	0.291	S	S	*	.	H	α-helix	trans	-58.2	-44.6	175.3	-175.5	-179.5	177.9	-178	0	111.7	R617 L618 C619 K624 S625	R617-K621 WeakPolarHBondContact O-CB 3.31Å; R617-K621 PolarHBondContact O-N 3.11Å; L618-K621 PolarHBondContact O-N 3.35Å; C619-K621 PolarHBondContact O-N 3.33Å; K621-K624 PolarHBondContact O-N 3.18Å; K621-S625 PolarHBondContact O-N 3.43Å
622	Q	95	Very high	92.3	Very high	46 Å²	46	60.8 Å²	60.8	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-42.6	178.8	-66.4	-61.3	-12.1	0	0	112.3	L560 P561 L618 C619 Y620 K624 S625 I626	L560-Q622 HydrophobicContact CB-CB 3.96Å; L560-Q622 HydrophobicContact CD1-CB 4.31Å; P561-Q622 HydrophobicContact CG-CG 4.45Å; L618-Q622 WeakPolarHBondContact O-CG 3.29Å; L618-Q622 PolarHBondContact O-N 3.23Å; L618-Q622 VanDerWaalsContact O-N 3.12Å; C619-Q622 PolarHBondContact O-N 2.89Å; Y620-Q622 VanDerWaalsContact C-N 3.32Å; Y620-Q622 PolarHBondContact O-N 3.35Å; Q622-K624 VanDerWaalsContact C-N 3.25Å; Q622-K624 PolarHBondContact O-N 3.46Å; Q622-S625 WeakPolarHBondContact O-CB 3.14Å; Q622-S625 PolarHBondContact O-N 2.83Å; Q622-S625 VanDerWaalsContact O-N 3.1Å; Q622-I626 WeakPolarHBondContact O-CG1 3.35Å; Q622-I626 PolarHBondContact O-N 3.4Å
623	L	95.9	Very high	92.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-36.9	175.1	-74.4	171.7	0	0	0	111.8	L560 L582 L586 L590 I593 C619 Y620 I626 S627 M651 L654	L560-L623 HydrophobicContact CD1-CD2 4.49Å; L560-L623 HydrophobicContact CD1-CG 4.16Å; L560-L623 HydrophobicContact CD2-CD2 3.61Å; L560-L623 HydrophobicContact CD2-CG 4.14Å; L582-L623 HydrophobicContact CD1-CD2 3.81Å; L586-L623 HydrophobicContact CD2-CD2 3.92Å; L590-L623 HydrophobicContact CD1-CD1 4.35Å; I593-L623 HydrophobicContact CD1-CD1 4.01Å; C619-L623 WeakPolarHBondContact O-CB 3.5Å; C619-L623 VanDerWaalsContact O-CG 3.29Å; C619-L623 WeakPolarHBondContact O-CG 3.25Å; C619-L623 PolarHBondContact O-N 2.81Å; Y620-L623 PolarHBondContact O-N 2.92Å; L623-I626 PolarHBondContact O-N 3.03Å; L623-S627 WeakPolarHBondContact O-CB 3.44Å; L623-S627 PolarHBondContact O-N 3.33Å; L623-M651 HydrophobicContact CB-CE 4.45Å; L623-M651 HydrophobicContact CD2-CE 4.33Å; L623-M651 WeakPolarHBondContact O-CE 3.24Å; L623-L654 HydrophobicContact CB-CD1 3.93Å
624	K	92.5	Very high	91.8	Very high	120 Å²	120	56.6 Å²	56.6	52%	0.522	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-38.4	174.7	-166	165.2	-172.6	158	0	112.7	Y620 K621 Q622 S627	Y620-K624 HydrophobicContact CE1-CD 4.48Å; Y620-K624 WeakPolarHBondContact O-CB 3.37Å; Y620-K624 PolarHBondContact O-N 2.9Å; K621-K624 PolarHBondContact O-N 3.18Å; Q622-K624 VanDerWaalsContact C-N 3.25Å; Q622-K624 PolarHBondContact O-N 3.46Å; K624-S627 WeakPolarHBondContact O-CB 3.06Å; K624-S627 PolarHBondContact O-N 3.07Å
625	S	92.6	Very high	91.1	Very high	56 Å²	56	54 Å²	54	39%	0.392	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-49.8	172	-164.7	0	0	0	0	111.1	E564 K621 Q622 S627 G628 L629	E564-S625 PolarHBondContact OE1-OG 3.43Å; K621-S625 PolarHBondContact O-N 3.43Å; Q622-S625 WeakPolarHBondContact O-CB 3.14Å; Q622-S625 PolarHBondContact O-N 2.83Å; Q622-S625 VanDerWaalsContact O-N 3.1Å; S625-S627 VanDerWaalsContact C-N 3.28Å; S625-S627 PolarHBondContact O-N 2.89Å; S625-G628 PolarHBondContact O-N 3.39Å; S625-L629 PolarHBondContact O-N 3.49Å
626	I	95	Very high	90.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-34.1	179.8	-65.3	168.2	0	0	0	111.4	L560 I563 E564 L567 L582 Q622 L623 G628 L629 V630 M651	L560-I626 HydrophobicContact CB-CD1 4.5Å; L560-I626 HydrophobicContact CD2-CD1 3.93Å; I563-I626 HydrophobicContact CG2-CD1 4.28Å; E564-I626 HydrophobicContact CB-CD1 4.36Å; E564-I626 HydrophobicContact CB-CG1 3.96Å; E564-I626 HydrophobicContact CG-CG1 4.28Å; L567-I626 HydrophobicContact CD1-CG2 3.9Å; L582-I626 HydrophobicContact CD1-CG2 4.27Å; L582-I626 HydrophobicContact CD2-CG2 3.57Å; Q622-I626 WeakPolarHBondContact O-CG1 3.35Å; Q622-I626 PolarHBondContact O-N 3.4Å; L623-I626 PolarHBondContact O-N 3.03Å; I626-G628 VanDerWaalsContact C-N 3.32Å; I626-G628 PolarHBondContact O-N 2.82Å; I626-L629 WeakPolarHBondContact O-CB 3.41Å; I626-L629 PolarHBondContact O-N 3.3Å; I626-L629 VanDerWaalsContact O-N 3.12Å; I626-V630 HydrophobicContact CG2-CG2 3.89Å; I626-V630 WeakPolarHBondContact O-CG2 3.21Å; I626-V630 PolarHBondContact O-N 3.5Å; I626-M651 HydrophobicContact CB-CE 4.34Å; I626-M651 HydrophobicContact CG2-CE 4.2Å
627	S	93.3	Very high	89.3	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-57.3	-44.9	177.7	-172.6	0	0	0	0	111.6	L623 K624 S625 L629 V630 K631	L623-S627 WeakPolarHBondContact O-CB 3.44Å; L623-S627 PolarHBondContact O-N 3.33Å; K624-S627 WeakPolarHBondContact O-CB 3.06Å; K624-S627 PolarHBondContact O-N 3.07Å; S625-S627 VanDerWaalsContact C-N 3.28Å; S625-S627 PolarHBondContact O-N 2.89Å; S627-L629 VanDerWaalsContact C-N 3.33Å; S627-L629 PolarHBondContact O-N 3.16Å; S627-V630 PolarHBondContact O-N 2.93Å; S627-K631 VanDerWaalsContact O-CB 3.28Å; S627-K631 WeakPolarHBondContact O-CB 3.37Å; S627-K631 PolarHBondContact O-N 2.86Å
628	G	88.8	Confident	88.3	Confident	46 Å²	46	57.8 Å²	57.8	47%	0.474	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-42.5	175.9	0	0	0	0	0	112.4	S625 I626 S632	S625-G628 PolarHBondContact O-N 3.39Å; I626-G628 VanDerWaalsContact C-N 3.32Å; I626-G628 PolarHBondContact O-N 2.82Å; G628-S632 PolarHBondContact O-N 2.86Å
629	L	90.8	Very high	87.2	Confident	25 Å²	25	63.1 Å²	63.1	13%	0.131	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-47.9	176.2	-178	68.5	0	0	0	111.9	E564 L567 Q568 S625 I626 S627 K631 S632 K633	E564-L629 HydrophobicContact CG-CD2 4.48Å; L567-L629 HydrophobicContact CB-CD2 3.71Å; L567-L629 HydrophobicContact CD1-CD2 4.37Å; Q568-L629 HydrophobicContact CG-CD1 3.95Å; Q568-L629 HydrophobicContact CG-CD2 3.71Å; Q568-L629 HydrophobicContact CG-CG 4.5Å; S625-L629 PolarHBondContact O-N 3.49Å; I626-L629 WeakPolarHBondContact O-CB 3.41Å; I626-L629 PolarHBondContact O-N 3.3Å; I626-L629 VanDerWaalsContact O-N 3.12Å; S627-L629 VanDerWaalsContact C-N 3.33Å; S627-L629 PolarHBondContact O-N 3.16Å; L629-K631 VanDerWaalsContact C-N 3.32Å; L629-K631 PolarHBondContact O-N 2.98Å; L629-S632 PolarHBondContact O-N 3.48Å; L629-S632 PolarHBondContact O-OG 3.17Å; L629-K633 PolarHBondContact O-N 3.04Å
630	V	92.1	Very high	86.3	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-41.9	178.8	168.9	0	0	0	0	110.7	L567 L582 I626 S627 S632 K633 S634 F644 L647 H648 M651	L567-V630 HydrophobicContact CD1-CG2 4.28Å; L582-V630 HydrophobicContact CD2-CG2 4.1Å; I626-V630 HydrophobicContact CG2-CG2 3.89Å; I626-V630 WeakPolarHBondContact O-CG2 3.21Å; I626-V630 PolarHBondContact O-N 3.5Å; S627-V630 PolarHBondContact O-N 2.93Å; V630-S632 PolarHBondContact O-N 3.03Å; V630-K633 CarbonylContact O-C 3.6Å; V630-K633 PolarHBondContact O-N 3.29Å; V630-K633 VanDerWaalsContact O-N 3.13Å; V630-S634 PolarHBondContact O-N 2.97Å; V630-F644 HydrophobicContact CG1-CD1 4.28Å; V630-F644 WeakPolarHBondContact CG1-O 3.2Å; V630-F644 HydrophobicContact CG2-CD1 4.28Å; V630-F644 HydrophobicContact CG2-CE1 4.45Å; V630-L647 HydrophobicContact CG1-CB 3.91Å; V630-H648 HydrophobicContact CG1-CB 3.94Å; V630-M651 HydrophobicContact CB-SD 4.34Å; V630-M651 HydrophobicContact CG1-SD 4.44Å; V630-M651 HydrophobicContact CG2-SD 4.14Å
631	K	88.7	Confident	85.8	Confident	115 Å²	115	61.2 Å²	61.2	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-40.2	175.8	-171.1	172.6	-172.6	167.2	0	112.2	S627 L629 K633 S634	S627-K631 VanDerWaalsContact O-CB 3.28Å; S627-K631 WeakPolarHBondContact O-CB 3.37Å; S627-K631 PolarHBondContact O-N 2.86Å; L629-K631 VanDerWaalsContact C-N 3.32Å; L629-K631 PolarHBondContact O-N 2.98Å; K631-K633 VanDerWaalsContact C-N 3.26Å; K631-K633 PolarHBondContact O-N 3.29Å; K631-S634 PolarHBondContact O-OG 2.95Å
632	S	87.8	Confident	85.4	Confident	86 Å²	86	57 Å²	57	60%	0.601	35%	0.345	S	S	*	.	H	α-helix	trans	-65.2	-29.1	175.5	76.8	0	0	0	0	113.3	G628 L629 V630	G628-S632 PolarHBondContact O-N 2.86Å; L629-S632 PolarHBondContact O-N 3.48Å; L629-S632 PolarHBondContact O-OG 3.17Å; V630-S632 PolarHBondContact O-N 3.03Å
633	K	85.4	Confident	85.1	Confident	44 Å²	44	56.2 Å²	56.2	19%	0.191	34%	0.343	C	S	.	.	H	α-helix	trans	-96.8	-9.7	-176.7	-66.9	-167.6	176.6	-162.4	0	114.4	L567 L629 V630 K631 G635 L636 F644	L567-K633 PolarHBondContact O-NZ 2.93Å; L629-K633 PolarHBondContact O-N 3.04Å; V630-K633 CarbonylContact O-C 3.6Å; V630-K633 PolarHBondContact O-N 3.29Å; V630-K633 VanDerWaalsContact O-N 3.13Å; K631-K633 VanDerWaalsContact C-N 3.26Å; K631-K633 PolarHBondContact O-N 3.29Å; K633-G635 PolarHBondContact O-N 2.83Å; K633-L636 HydrophobicContact CB-CD1 3.99Å; K633-L636 HydrophobicContact CG-CD1 4.06Å; K633-L636 WeakPolarHBondContact O-CB 3.48Å; K633-L636 PolarHBondContact O-N 2.91Å; K633-F644 HydrophobicContact CB-CD1 3.97Å; K633-F644 HydrophobicContact CB-CD2 4.07Å; K633-F644 HydrophobicContact CB-CE1 4.16Å; K633-F644 HydrophobicContact CB-CE2 4.28Å; K633-F644 HydrophobicContact CB-CG 3.93Å; K633-F644 HydrophobicContact CB-CZ 4.32Å; K633-F644 HydrophobicContact CD-CE1 4.09Å; K633-F644 HydrophobicContact CD-CE2 4.18Å; K633-F644 HydrophobicContact CD-CZ 3.79Å
634	S	80.1	Confident	85	Confident	26 Å²	26	56.5 Å²	56.5	18%	0.182	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.2	-178	69.8	0	0	0	0	113.6	V630 K631 R645	V630-S634 PolarHBondContact O-N 2.97Å; K631-S634 PolarHBondContact O-OG 2.95Å; S634-R645 VanDerWaalsContact O-CG 3.24Å; S634-R645 WeakPolarHBondContact O-CG 3.17Å
635	G	76.7	Confident	84.9	Confident	73 Å²	73	57.3 Å²	57.3	75%	0.753	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.9	175.3	0	0	0	0	0	115.2	K633	K633-G635 PolarHBondContact O-N 2.83Å
636	L	79.5	Confident	84.8	Confident	101 Å²	101	58.3 Å²	58.3	53%	0.529	34%	0.342	S	S	.	.			trans	-74	134.8	-179	-66.4	169.8	0	0	0	111.1	K633 G641	K633-L636 HydrophobicContact CB-CD1 3.99Å; K633-L636 HydrophobicContact CG-CD1 4.06Å; K633-L636 WeakPolarHBondContact O-CB 3.48Å; K633-L636 PolarHBondContact O-N 2.91Å; L636-G641 WeakPolarHBondContact O-CA 3.23Å
637	S	68.6	Low	84.7	Confident	122 Å²	122	58.5 Å²	58.5	85%	0.853	34%	0.343	S	S	*	.			trans	-85.6	145.9	169.8	56.1	0	0	0	0	110.6
638	G	72.5	Confident	84.6	Confident	54 Å²	54	60.5 Å²	60.5	56%	0.557	35%	0.352	S	S	*	.	S	Bend	trans	128.5	-174.1	-180	0	0	0	0	0	114.3	H640 G641	G638-H640 VanDerWaalsContact C-N 3.29Å; G638-H640 PolarHBondContact O-N 2.94Å; G638-G641 PolarHBondContact O-N 2.95Å
639	R	70.5	Confident	84.7	Confident	184 Å²	184	64.5 Å²	64.5	69%	0.694	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.4	-172.6	-174.7	-177	-73.1	154.1	-8	113.7	E572	E572-R639 IonicContact OE2-NH1 3.27Å; E572-R639 PolarHBondContact OE2-NH1 2.77Å
640	H	78.6	Confident	84.6	Confident	25 Å²	25	66 Å²	66	12%	0.116	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.1	-178.5	-53.8	94.5	0	0	0	113.4	Q576 G638 S642 T643 F644	Q576-H640 PolarHBondContact OE1-CD2 3.06Å; Q576-H640 VanDerWaalsContact OE1-CD2 3.27Å; Q576-H640 PolarHBondContact OE1-NE2 3.06Å; G638-H640 VanDerWaalsContact C-N 3.29Å; G638-H640 PolarHBondContact O-N 2.94Å; H640-S642 VanDerWaalsContact C-N 3.34Å; H640-S642 PolarHBondContact O-N 2.92Å; H640-T643 VanDerWaalsContact C-OG1 3.28Å; H640-T643 VanDerWaalsContact CA-OG1 3.28Å; H640-T643 WeakPolarHBondContact CA-OG1 3.45Å; H640-T643 PolarHBondContact O-N 2.92Å; H640-T643 PolarHBondContact O-OG1 2.98Å; H640-F644 HydrophobicContact CB-CD2 4.17Å; H640-F644 HydrophobicContact CB-CE2 4.05Å; H640-F644 WeakPolarHBondContact O-CD2 3.38Å; H640-F644 PolarHBondContact O-N 2.83Å
641	G	83.8	Confident	84.6	Confident	3 Å²	3	66.1 Å²	66.1	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-66.3	-35.1	-177.8	0	0	0	0	0	113.2	L636 G638 R645	L636-G641 WeakPolarHBondContact O-CA 3.23Å; G638-G641 PolarHBondContact O-N 2.95Å; G641-R645 WeakPolarHBondContact O-CG 3.27Å; G641-R645 PolarHBondContact O-N 3.32Å; G641-R645 PolarHBondContact O-NE 2.94Å; G641-R645 VanDerWaalsContact O-NE 3.08Å
642	S	86.3	Confident	84.3	Confident	64 Å²	64	63.2 Å²	63.2	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-68.6	-39.9	171.9	51.5	0	0	0	0	111.8	H640 R645 E646	H640-S642 VanDerWaalsContact C-N 3.34Å; H640-S642 PolarHBondContact O-N 2.92Å; S642-R645 PolarHBondContact O-N 3.27Å; S642-E646 PolarHBondContact O-N 2.84Å
643	T	88.4	Confident	83.9	Confident	29 Å²	29	62.7 Å²	62.7	18%	0.178	36%	0.364	C	S	.	.	H	α-helix	trans	-66.6	-38.6	178.4	53.9	0	0	0	0	112.1	H640 R645 E646 L647	H640-T643 VanDerWaalsContact C-OG1 3.28Å; H640-T643 VanDerWaalsContact CA-OG1 3.28Å; H640-T643 WeakPolarHBondContact CA-OG1 3.45Å; H640-T643 PolarHBondContact O-N 2.92Å; H640-T643 PolarHBondContact O-OG1 2.98Å; T643-R645 VanDerWaalsContact C-N 3.35Å; T643-E646 PolarHBondContact O-N 3.12Å; T643-L647 WeakPolarHBondContact O-CB 3.47Å; T643-L647 VanDerWaalsContact O-CG 3.26Å; T643-L647 WeakPolarHBondContact O-CG 3.43Å; T643-L647 PolarHBondContact O-N 3.17Å
644	F	92.4	Very high	83.5	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.035	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-33.9	174.8	-79.3	-67.1	0	0	0	112.6	L567 V575 V630 K633 H640 H648	L567-F644 HydrophobicContact CD2-CE1 3.97Å; L567-F644 HydrophobicContact CD2-CZ 4.06Å; V575-F644 HydrophobicContact CG1-CE2 3.92Å; V575-F644 HydrophobicContact CG1-CZ 3.76Å; V630-F644 HydrophobicContact CG1-CD1 4.28Å; V630-F644 WeakPolarHBondContact CG1-O 3.2Å; V630-F644 HydrophobicContact CG2-CD1 4.28Å; V630-F644 HydrophobicContact CG2-CE1 4.45Å; K633-F644 HydrophobicContact CB-CD1 3.97Å; K633-F644 HydrophobicContact CB-CD2 4.07Å; K633-F644 HydrophobicContact CB-CE1 4.16Å; K633-F644 HydrophobicContact CB-CE2 4.28Å; K633-F644 HydrophobicContact CB-CG 3.93Å; K633-F644 HydrophobicContact CB-CZ 4.32Å; K633-F644 HydrophobicContact CD-CE1 4.09Å; K633-F644 HydrophobicContact CD-CE2 4.18Å; K633-F644 HydrophobicContact CD-CZ 3.79Å; H640-F644 HydrophobicContact CB-CD2 4.17Å; H640-F644 HydrophobicContact CB-CE2 4.05Å; H640-F644 WeakPolarHBondContact O-CD2 3.38Å; H640-F644 PolarHBondContact O-N 2.83Å; F644-H648 VanDerWaalsContact O-CB 3.28Å; F644-H648 WeakPolarHBondContact O-CB 3.47Å; F644-H648 PolarHBondContact O-N 3.05Å
645	R	90.4	Very high	82.8	Confident	136 Å²	136	66.5 Å²	66.5	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-66.2	-44	172.4	-77.5	178.7	-83.7	151.3	-10.8	112.1	S634 G641 S642 T643 H648 L649	S634-R645 VanDerWaalsContact O-CG 3.24Å; S634-R645 WeakPolarHBondContact O-CG 3.17Å; G641-R645 WeakPolarHBondContact O-CG 3.27Å; G641-R645 PolarHBondContact O-N 3.32Å; G641-R645 PolarHBondContact O-NE 2.94Å; G641-R645 VanDerWaalsContact O-NE 3.08Å; S642-R645 PolarHBondContact O-N 3.27Å; T643-R645 VanDerWaalsContact C-N 3.35Å; R645-H648 PolarHBondContact O-N 3.22Å; R645-L649 WeakPolarHBondContact O-CG 3.25Å; R645-L649 PolarHBondContact O-N 2.96Å
646	E	91.1	Very high	83.1	Confident	78 Å²	78	66.2 Å²	66.2	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-47.4	175.1	-173.2	-176.9	-162.4	0	0	111.4	K583 S642 T643 H648 L649 L650	K583-E646 VanDerWaalsContact CE-OE1 3.27Å; K583-E646 WeakPolarHBondContact CE-OE1 3.48Å; K583-E646 IonicContact NZ-OE1 2.77Å; K583-E646 PolarHBondContact NZ-OE1 2.91Å; K583-E646 IonicContact NZ-OE2 2.66Å; K583-E646 PolarHBondContact NZ-OE2 2.64Å; S642-E646 PolarHBondContact O-N 2.84Å; T643-E646 PolarHBondContact O-N 3.12Å; E646-H648 VanDerWaalsContact C-N 3.33Å; E646-H648 PolarHBondContact O-N 3.14Å; E646-L649 PolarHBondContact O-N 3.09Å; E646-L650 WeakPolarHBondContact O-CG 3.48Å; E646-L650 PolarHBondContact O-N 2.93Å
647	L	92.7	Very high	83.3	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.016	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-40.7	176	-71.5	168.1	0	0	0	111.9	C579 L582 K583 L586 V630 T643 L649 L650 M651	C579-L647 HydrophobicContact CB-CD1 3.94Å; L582-L647 HydrophobicContact CB-CD2 4.25Å; L582-L647 HydrophobicContact CD2-CD1 4.23Å; L582-L647 HydrophobicContact CD2-CD2 4.15Å; L582-L647 HydrophobicContact CG-CD2 4.05Å; K583-L647 HydrophobicContact CB-CD2 3.92Å; L586-L647 HydrophobicContact CD1-CD2 3.84Å; V630-L647 HydrophobicContact CG1-CB 3.91Å; T643-L647 WeakPolarHBondContact O-CB 3.47Å; T643-L647 VanDerWaalsContact O-CG 3.26Å; T643-L647 WeakPolarHBondContact O-CG 3.43Å; T643-L647 PolarHBondContact O-N 3.17Å; L647-L649 VanDerWaalsContact C-N 3.33Å; L647-L649 PolarHBondContact O-N 2.94Å; L647-L650 PolarHBondContact O-N 3.04Å; L647-M651 WeakPolarHBondContact O-CB 3.24Å; L647-M651 WeakPolarHBondContact O-CG 3.34Å; L647-M651 PolarHBondContact O-N 3.14Å
648	H	91.9	Very high	84.1	Confident	48 Å²	48	61.1 Å²	61.1	22%	0.222	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-42.1	176.8	-174.2	43.1	0	0	0	112	V630 F644 R645 E646 M651 A652	V630-H648 HydrophobicContact CG1-CB 3.94Å; F644-H648 VanDerWaalsContact O-CB 3.28Å; F644-H648 WeakPolarHBondContact O-CB 3.47Å; F644-H648 PolarHBondContact O-N 3.05Å; R645-H648 PolarHBondContact O-N 3.22Å; E646-H648 VanDerWaalsContact C-N 3.33Å; E646-H648 PolarHBondContact O-N 3.14Å; H648-M651 PolarHBondContact O-N 3.49Å; H648-A652 PolarHBondContact O-N 3Å
649	L	90.1	Very high	84.8	Confident	131 Å²	131	61.5 Å²	61.5	69%	0.686	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-42.6	175.9	-70.3	171.2	0	0	0	112.2	R645 E646 L647 M651 A652	R645-L649 WeakPolarHBondContact O-CG 3.25Å; R645-L649 PolarHBondContact O-N 2.96Å; E646-L649 PolarHBondContact O-N 3.09Å; L647-L649 VanDerWaalsContact C-N 3.33Å; L647-L649 PolarHBondContact O-N 2.94Å; L649-M651 PolarHBondContact O-N 3.26Å; L649-A652 VanDerWaalsContact O-CB 3.24Å; L649-A652 WeakPolarHBondContact O-CB 3.34Å; L649-A652 PolarHBondContact O-N 3.28Å
650	L	89.9	Confident	85.7	Confident	57 Å²	57	53.9 Å²	53.9	30%	0.298	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-29.3	176.1	-71.1	173.8	0	0	0	112.6	K583 L586 Q587 L590 E646 L647	K583-L650 HydrophobicContact CG-CD1 4.22Å; L586-L650 HydrophobicContact CB-CB 4.47Å; L586-L650 HydrophobicContact CD1-CB 4.07Å; Q587-L650 HydrophobicContact CG-CD1 4.47Å; L590-L650 WeakPolarHBondContact CD2-O 3.45Å; E646-L650 WeakPolarHBondContact O-CG 3.48Å; E646-L650 PolarHBondContact O-N 2.93Å; L647-L650 PolarHBondContact O-N 3.04Å
651	M	90.4	Very high	86.1	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.2	178.8	-66.8	-179.3	87.1	0	0	113.3	L582 L586 L623 I626 V630 L647 H648 L649 S653 L654	L582-M651 HydrophobicContact CD2-SD 4.31Å; L586-M651 HydrophobicContact CD1-CG 3.52Å; L586-M651 HydrophobicContact CD1-SD 4.06Å; L586-M651 HydrophobicContact CD2-CG 3.69Å; L586-M651 HydrophobicContact CG-CG 4.28Å; L623-M651 HydrophobicContact CB-CE 4.45Å; L623-M651 HydrophobicContact CD2-CE 4.33Å; L623-M651 WeakPolarHBondContact O-CE 3.24Å; I626-M651 HydrophobicContact CB-CE 4.34Å; I626-M651 HydrophobicContact CG2-CE 4.2Å; V630-M651 HydrophobicContact CB-SD 4.34Å; V630-M651 HydrophobicContact CG1-SD 4.44Å; V630-M651 HydrophobicContact CG2-SD 4.14Å; L647-M651 WeakPolarHBondContact O-CB 3.24Å; L647-M651 WeakPolarHBondContact O-CG 3.34Å; L647-M651 PolarHBondContact O-N 3.14Å; H648-M651 PolarHBondContact O-N 3.49Å; L649-M651 PolarHBondContact O-N 3.26Å; M651-S653 PolarHBondContact O-N 3.16Å; M651-S653 VanDerWaalsContact O-N 3.15Å; M651-L654 HydrophobicContact CB-CD1 4.03Å; M651-L654 HydrophobicContact CE-CD1 3.74Å; M651-L654 HydrophobicContact CG-CD1 4.1Å; M651-L654 VanDerWaalsContact O-CB 3.29Å; M651-L654 WeakPolarHBondContact O-CB 3.45Å; M651-L654 PolarHBondContact O-N 3.12Å
652	A	84.2	Confident	86.3	Confident	55 Å²	55	59.6 Å²	59.6	46%	0.455	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-62.4	-22.7	-177.9	0	0	0	0	0	113.5	H648 L649 L654	H648-A652 PolarHBondContact O-N 3Å; L649-A652 VanDerWaalsContact O-CB 3.24Å; L649-A652 WeakPolarHBondContact O-CB 3.34Å; L649-A652 PolarHBondContact O-N 3.28Å; A652-L654 PolarHBondContact O-N 3.41Å
653	S	77.9	Confident	86.3	Confident	74 Å²	74	59.2 Å²	59.2	52%	0.517	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-78.6	-2	175.1	69	0	0	0	0	114.3	L590 M651	L590-S653 WeakPolarHBondContact CD2-OG 3.43Å; M651-S653 PolarHBondContact O-N 3.16Å; M651-S653 VanDerWaalsContact O-N 3.15Å
654	L	78.4	Confident	86.1	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-93.5	-16.9	176.7	-67.5	167.9	0	0	0	113	L590 Y620 L623 M651 A652	L590-L654 HydrophobicContact CD1-CD1 4.22Å; L590-L654 HydrophobicContact CD1-CD2 3.51Å; L590-L654 HydrophobicContact CD1-CG 3.89Å; Y620-L654 HydrophobicContact CD2-CD2 3.61Å; Y620-L654 HydrophobicContact CE2-CD2 3.41Å; Y620-L654 VanDerWaalsContact CE2-CD2 3.41Å; Y620-L654 PolarHBondContact OH-O 3.44Å; L623-L654 HydrophobicContact CB-CD1 3.93Å; M651-L654 HydrophobicContact CB-CD1 4.03Å; M651-L654 HydrophobicContact CE-CD1 3.74Å; M651-L654 HydrophobicContact CG-CD1 4.1Å; M651-L654 VanDerWaalsContact O-CB 3.29Å; M651-L654 WeakPolarHBondContact O-CB 3.45Å; M651-L654 PolarHBondContact O-N 3.12Å; A652-L654 PolarHBondContact O-N 3.41Å
655	D	64.2	Low	85.6	Confident	147 Å²	147	66.6 Å²	66.6	79%	0.786	35%	0.353	S	S	*	.			trans	-81.7	0	172.5	-73	-18.1	0	0	0	109.8

Retrieved 655 of 655 residues in 150.2 ms (Link to these results)

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