G4VGY9_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession G4VGY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 462 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	34.9	Very low	56	Low	238 Å²	238	132.4 Å²	132.4	100%	1.172	68%	0.677	S	S	*	*				0	142.2	0	-73.3	171.6	171.4	0	0	107.6	I3	M1-I3 PolarHBondContact O-N 3.33Å
2	Q	37.9	Very low	57.2	Low	202 Å²	202	130.8 Å²	130.8	94%	0.944	67%	0.665	S	S	*	*			trans	-58.1	110.6	-176.5	-72.1	163.4	-26.1	0	0	109.4	N4	Q2-N4 PolarHBondContact O-N 3.37Å; Q2-N4 VanDerWaalsContact O-N 3.15Å
3	I	41.3	Very low	58.3	Low	150 Å²	150	124.2 Å²	124.2	77%	0.769	63%	0.629	S	S	*	*			trans	-72.3	111.2	174.7	-57.5	177.8	0	0	0	105.4	M1 V5	M1-I3 PolarHBondContact O-N 3.33Å; I3-V5 HydrophobicContact CB-CG2 4.3Å; I3-V5 HydrophobicContact CG2-CG2 3.73Å; I3-V5 PolarHBondContact O-N 3.31Å
4	N	40.9	Very low	59.3	Low	166 Å²	166	121.1 Å²	121.1	89%	0.888	61%	0.611	S	S	*	*			trans	-76.1	76.3	178.7	-153.3	14.1	0	0	0	108.2	Q2	Q2-N4 PolarHBondContact O-N 3.37Å; Q2-N4 VanDerWaalsContact O-N 3.15Å
5	V	54.1	Low	60.4	Low	70 Å²	70	120.1 Å²	120.1	42%	0.424	60%	0.601	S	S	.	*			trans	-71	127.6	175	-179.1	0	0	0	0	107.3	I3 V9 F10	I3-V5 HydrophobicContact CB-CG2 4.3Å; I3-V5 HydrophobicContact CG2-CG2 3.73Å; I3-V5 PolarHBondContact O-N 3.31Å; V5-V9 HydrophobicContact CG1-CB 3.78Å; V5-V9 HydrophobicContact CG1-CG1 3.77Å; V5-F10 HydrophobicContact CG1-CB 4.4Å
6	E	60.5	Low	60.9	Low	136 Å²	136	116.6 Å²	116.6	64%	0.636	58%	0.584	S	S	*	*			trans	-54.3	139.2	175.9	-72.9	-176.2	137.6	0	0	110.3	D8 V9 F10	E6-D8 PolarHBondContact O-N 3.43Å; E6-V9 HydrophobicContact CB-CG2 4.15Å; E6-V9 WeakPolarHBondContact O-CB 3.28Å; E6-V9 PolarHBondContact O-N 3.17Å; E6-F10 PolarHBondContact O-N 3.41Å; E6-F10 VanDerWaalsContact O-N 3.09Å
7	P	66.4	Low	61.5	Low	96 Å²	96	112.6 Å²	112.6	62%	0.623	56%	0.562	S	S	*	*	H	α-helix	trans	-55.8	-37.5	-177.4	21.9	-32.7	0	0	0	111.6	V9 F10 E11	P7-V9 VanDerWaalsContact C-N 3.31Å; P7-V9 PolarHBondContact O-N 2.99Å; P7-F10 PolarHBondContact O-N 3.07Å; P7-E11 WeakPolarHBondContact O-CB 3.49Å; P7-E11 PolarHBondContact O-N 3.41Å
8	D	69.3	Low	62.2	Low	103 Å²	103	114 Å²	114	55%	0.551	57%	0.567	S	S	*	*	H	α-helix	trans	-56.9	-40.1	174.4	-67.6	20.3	0	0	0	113	E6 Q12	E6-D8 PolarHBondContact O-N 3.43Å; D8-Q12 WeakPolarHBondContact O-CB 3.36Å; D8-Q12 WeakPolarHBondContact O-CG 3.49Å; D8-Q12 PolarHBondContact O-N 3.37Å; D8-Q12 PolarHBondContact O-NE2 3.39Å
9	V	68.3	Low	62.5	Low	70 Å²	70	114.9 Å²	114.9	42%	0.424	57%	0.573	S	S	.	*	H	α-helix	trans	-74.8	-37.6	179.9	177.8	0	0	0	0	110.6	V5 E6 P7 F13	V5-V9 HydrophobicContact CG1-CB 3.78Å; V5-V9 HydrophobicContact CG1-CG1 3.77Å; E6-V9 HydrophobicContact CB-CG2 4.15Å; E6-V9 WeakPolarHBondContact O-CB 3.28Å; E6-V9 PolarHBondContact O-N 3.17Å; P7-V9 VanDerWaalsContact C-N 3.31Å; P7-V9 PolarHBondContact O-N 2.99Å; V9-F13 WeakPolarHBondContact O-CB 3.39Å; V9-F13 PolarHBondContact O-N 3.18Å
10	F	68.6	Low	62.4	Low	126 Å²	126	112.3 Å²	112.3	55%	0.553	56%	0.559	S	S	*	*	H	α-helix	trans	-65.8	-41.8	173.1	-173.5	-96.8	0	0	0	111.7	V5 E6 P7 F13 H14	V5-F10 HydrophobicContact CG1-CB 4.4Å; E6-F10 PolarHBondContact O-N 3.41Å; E6-F10 VanDerWaalsContact O-N 3.09Å; P7-F10 PolarHBondContact O-N 3.07Å; F10-F13 PolarHBondContact O-N 3.39Å; F10-H14 PolarHBondContact O-N 3.44Å
11	E	74	Confident	62.5	Low	99 Å²	99	116 Å²	116	46%	0.463	57%	0.572	S	S	.	*	H	α-helix	trans	-67.6	-38.9	176.9	-159.5	-171.3	147.9	0	0	111.6	P7 H14 K15	P7-E11 WeakPolarHBondContact O-CB 3.49Å; P7-E11 PolarHBondContact O-N 3.41Å; E11-H14 PolarHBondContact O-N 2.85Å; E11-K15 HydrophobicContact CG-CD 4.45Å; E11-K15 WeakPolarHBondContact O-CB 3.1Å; E11-K15 VanDerWaalsContact O-CG 3.3Å; E11-K15 WeakPolarHBondContact O-CG 3.39Å; E11-K15 PolarHBondContact O-N 3.22Å; E11-K15 WeakPolarHBondContact OE1-CE 3.32Å; E11-K15 IonicContact OE1-NZ 2.86Å; E11-K15 PolarHBondContact OE1-NZ 3.16Å
12	Q	70.6	Confident	63.5	Low	114 Å²	114	106.9 Å²	106.9	53%	0.533	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-43.9	171.1	-77.1	170.4	45.7	0	0	112.1	D8 H14 K15 L16	D8-Q12 WeakPolarHBondContact O-CB 3.36Å; D8-Q12 WeakPolarHBondContact O-CG 3.49Å; D8-Q12 PolarHBondContact O-N 3.37Å; D8-Q12 PolarHBondContact O-NE2 3.39Å; Q12-H14 PolarHBondContact O-N 3.27Å; Q12-K15 PolarHBondContact O-N 2.99Å; Q12-L16 WeakPolarHBondContact O-CB 3.22Å; Q12-L16 WeakPolarHBondContact O-CG 3.49Å; Q12-L16 PolarHBondContact O-N 2.8Å
13	F	71.7	Confident	64.3	Low	44 Å²	44	104.9 Å²	104.9	19%	0.193	53%	0.531	C	S	.	.	H	α-helix	trans	-60.9	-43.7	174.8	178.1	-101	0	0	0	111.8	V9 F10 L16 K17 F29 L30 I33	V9-F13 WeakPolarHBondContact O-CB 3.39Å; V9-F13 PolarHBondContact O-N 3.18Å; F10-F13 PolarHBondContact O-N 3.39Å; F13-L16 PolarHBondContact O-N 3.47Å; F13-K17 WeakPolarHBondContact O-CB 3.42Å; F13-K17 PolarHBondContact O-N 3.31Å; F13-F29 HydrophobicContact CD2-CD1 4.48Å; F13-F29 HydrophobicContact CD2-CE1 4.25Å; F13-F29 HydrophobicContact CE1-CD1 4.43Å; F13-F29 AromaticContact CE2-CD1 3.64Å; F13-F29 HydrophobicContact CE2-CD1 3.64Å; F13-F29 AromaticContact CE2-CE1 3.83Å; F13-F29 HydrophobicContact CE2-CE1 3.83Å; F13-F29 AromaticContact CZ-CD1 3.62Å; F13-F29 HydrophobicContact CZ-CD1 3.62Å; F13-F29 HydrophobicContact CZ-CE1 4.17Å; F13-L30 HydrophobicContact CD2-CD2 4.47Å; F13-L30 HydrophobicContact CE2-CD2 3.58Å; F13-L30 HydrophobicContact CE2-CG 4Å; F13-L30 HydrophobicContact CZ-CD2 4.13Å; F13-L30 HydrophobicContact CZ-CG 4.06Å; F13-I33 HydrophobicContact CD2-CD1 4.49Å; F13-I33 HydrophobicContact CE2-CD1 4.16Å
14	H	71.4	Confident	65.5	Low	81 Å²	81	99.3 Å²	99.3	38%	0.375	51%	0.511	S	S	.	.	H	α-helix	trans	-68.8	-37.2	179.6	-134.1	-79.2	0	0	0	112.6	F10 E11 Q12 K17 Q18	F10-H14 PolarHBondContact O-N 3.44Å; E11-H14 PolarHBondContact O-N 2.85Å; Q12-H14 PolarHBondContact O-N 3.27Å; H14-K17 PolarHBondContact O-N 3.21Å; H14-Q18 WeakPolarHBondContact O-CG 3.47Å; H14-Q18 PolarHBondContact O-N 3.37Å
15	K	76.2	Confident	67.1	Low	106 Å²	106	93.8 Å²	93.8	46%	0.461	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-47.1	170.7	-76.7	168.3	-178.3	167.5	0	111.4	E11 Q12 K17 Q18 L19	E11-K15 HydrophobicContact CG-CD 4.45Å; E11-K15 WeakPolarHBondContact O-CB 3.1Å; E11-K15 VanDerWaalsContact O-CG 3.3Å; E11-K15 WeakPolarHBondContact O-CG 3.39Å; E11-K15 PolarHBondContact O-N 3.22Å; E11-K15 WeakPolarHBondContact OE1-CE 3.32Å; E11-K15 IonicContact OE1-NZ 2.86Å; E11-K15 PolarHBondContact OE1-NZ 3.16Å; Q12-K15 PolarHBondContact O-N 2.99Å; K15-K17 VanDerWaalsContact C-N 3.34Å; K15-K17 PolarHBondContact O-N 2.91Å; K15-Q18 PolarHBondContact O-N 3.32Å; K15-L19 VanDerWaalsContact O-CG 3.29Å; K15-L19 WeakPolarHBondContact O-CG 3.48Å; K15-L19 PolarHBondContact O-N 2.89Å
16	L	68.5	Low	67.9	Low	64 Å²	64	94.4 Å²	94.4	34%	0.335	49%	0.487	S	S	.	.	H	α-helix	trans	-60	-42.2	175	-74.7	167	0	0	0	112	Q12 F13 Q18 L19 H20 F29 P49	Q12-L16 WeakPolarHBondContact O-CB 3.22Å; Q12-L16 WeakPolarHBondContact O-CG 3.49Å; Q12-L16 PolarHBondContact O-N 2.8Å; F13-L16 PolarHBondContact O-N 3.47Å; L16-Q18 PolarHBondContact O-N 3.13Å; L16-L19 PolarHBondContact O-N 3.31Å; L16-H20 PolarHBondContact O-CD2 3.03Å; L16-H20 PolarHBondContact O-N 3.4Å; L16-F29 HydrophobicContact CB-CE1 4.49Å; L16-F29 HydrophobicContact CB-CZ 4.22Å; L16-P49 HydrophobicContact CD2-CG 3.98Å
17	K	71.3	Confident	68.6	Low	50 Å²	50	91.8 Å²	91.8	22%	0.217	48%	0.483	C	S	.	.	H	α-helix	trans	-62.3	-42.1	177.1	-167.6	178.9	178.7	-175.7	0	112.3	F13 H14 K15 D26 F29	F13-K17 WeakPolarHBondContact O-CB 3.42Å; F13-K17 PolarHBondContact O-N 3.31Å; H14-K17 PolarHBondContact O-N 3.21Å; K15-K17 VanDerWaalsContact C-N 3.34Å; K15-K17 PolarHBondContact O-N 2.91Å; K17-D26 IonicContact NZ-OD1 2.66Å; K17-D26 PolarHBondContact NZ-OD1 3Å; K17-F29 VanDerWaalsContact CA-CE1 3.49Å; K17-F29 VanDerWaalsContact CA-CZ 3.47Å; K17-F29 HydrophobicContact CB-CD1 3.86Å; K17-F29 HydrophobicContact CB-CE1 3.54Å; K17-F29 HydrophobicContact CB-CZ 4.07Å; K17-F29 HydrophobicContact CD-CD1 4.26Å; K17-F29 HydrophobicContact CG-CD1 3.83Å; K17-F29 HydrophobicContact CG-CE1 4Å; K17-F29 HydrophobicContact CG-CG 4.2Å
18	Q	73.1	Confident	68.8	Low	137 Å²	137	92.4 Å²	92.4	64%	0.64	48%	0.478	S	S	*	.	H	α-helix	trans	-66.3	-39.3	176.5	-73.9	175.6	-2.4	0	0	112.6	H14 K15 L16 H20	H14-Q18 WeakPolarHBondContact O-CG 3.47Å; H14-Q18 PolarHBondContact O-N 3.37Å; K15-Q18 PolarHBondContact O-N 3.32Å; L16-Q18 PolarHBondContact O-N 3.13Å; Q18-H20 VanDerWaalsContact C-N 3.35Å; Q18-H20 PolarHBondContact O-N 3.2Å
19	L	67.8	Low	69.1	Low	131 Å²	131	87.7 Å²	87.7	69%	0.686	45%	0.452	S	S	*	.	H	α-helix	trans	-65.8	-33.6	178.6	-73.1	166.8	0	0	0	113.2	K15 L16	K15-L19 VanDerWaalsContact O-CG 3.29Å; K15-L19 WeakPolarHBondContact O-CG 3.48Å; K15-L19 PolarHBondContact O-N 2.89Å; L16-L19 PolarHBondContact O-N 3.31Å
20	H	62.1	Low	69.4	Low	63 Å²	63	88.5 Å²	88.5	29%	0.292	45%	0.454	S	S	.	.	H	α-helix	trans	-88.9	-8.4	-171.3	-88.1	-73.7	0	0	0	116.4	L16 Q18 P22 F29 P49	L16-H20 PolarHBondContact O-CD2 3.03Å; L16-H20 PolarHBondContact O-N 3.4Å; Q18-H20 VanDerWaalsContact C-N 3.35Å; Q18-H20 PolarHBondContact O-N 3.2Å; H20-P22 VanDerWaalsContact C-N 3.34Å; H20-P22 HydrophobicContact CB-CG 4.26Å; H20-P22 WeakPolarHBondContact O-CD 3.28Å; H20-P22 VanDerWaalsContact O-N 3.15Å; H20-F29 HydrophobicContact CB-CE2 3.93Å; H20-F29 HydrophobicContact CB-CZ 4.48Å; H20-P49 WeakPolarHBondContact NE2-CB 3.45Å
21	K	64.2	Low	69.6	Low	190 Å²	190	85.9 Å²	85.9	83%	0.826	45%	0.451	S	S	*	.			trans	40.5	42.5	-175.5	-71.1	-171.9	172.5	-178	0	116.7	V23	K21-V23 PolarHBondContact O-N 3.33Å
22	P	55.8	Low	69.8	Low	46 Å²	46	85.6 Å²	85.6	30%	0.299	45%	0.449	S	S	.	.			trans	-84.6	119.1	173.1	28	-13.6	0	0	0	109.4	H20 G24 F29	H20-P22 VanDerWaalsContact C-N 3.34Å; H20-P22 HydrophobicContact CB-CG 4.26Å; H20-P22 WeakPolarHBondContact O-CD 3.28Å; H20-P22 VanDerWaalsContact O-N 3.15Å; P22-G24 PolarHBondContact O-N 3.18Å; P22-F29 HydrophobicContact CG-CD2 3.45Å; P22-F29 VanDerWaalsContact CG-CD2 3.45Å; P22-F29 HydrophobicContact CG-CE2 3.9Å; P22-F29 HydrophobicContact CG-CG 4.29Å
23	V	54	Low	70	Confident	160 Å²	160	82.2 Å²	82.2	97%	0.97	43%	0.434	S	S	*	.			trans	-74.1	96.3	169.7	-179.7	0	0	0	0	107.6	K21	K21-V23 PolarHBondContact O-N 3.33Å
24	G	65.9	Low	70.2	Confident	34 Å²	34	83.7 Å²	83.7	35%	0.351	45%	0.446	S	S	.	.	S	Bend	trans	-175	166.8	-176.5	0	0	0	0	0	113.8	P22 E28	P22-G24 PolarHBondContact O-N 3.18Å; G24-E28 WeakPolarHBondContact CA-OE2 3.49Å
25	S	74.9	Confident	70.3	Confident	49 Å²	49	81.8 Å²	81.8	34%	0.343	44%	0.442	S	S	.	.			trans	-65.1	161.2	173.9	60.2	0	0	0	0	112.5	S27 E28 F29	S25-S27 PolarHBondContact O-N 3.19Å; S25-S27 PolarHBondContact OG-OG 2.94Å; S25-E28 WeakPolarHBondContact CB-OE2 3.21Å; S25-E28 PolarHBondContact N-OE2 2.77Å; S25-E28 PolarHBondContact O-N 3.44Å; S25-E28 VanDerWaalsContact OG-CG 3.29Å; S25-E28 WeakPolarHBondContact OG-CG 3.14Å; S25-E28 PolarHBondContact OG-N 2.89Å; S25-E28 PolarHBondContact OG-OE2 3.07Å; S25-F29 PolarHBondContact O-N 3.1Å
26	D	71.9	Confident	70.1	Confident	84 Å²	84	80.2 Å²	80.2	45%	0.449	44%	0.436	S	S	.	.	H	α-helix	trans	-59.9	-33.1	176.2	-71.4	-36.6	0	0	0	112.5	K17 F29 L30	K17-D26 IonicContact NZ-OD1 2.66Å; K17-D26 PolarHBondContact NZ-OD1 3Å; D26-F29 PolarHBondContact O-N 3.47Å; D26-L30 WeakPolarHBondContact O-CB 3.32Å; D26-L30 VanDerWaalsContact O-CG 3.31Å; D26-L30 WeakPolarHBondContact O-CG 3.15Å; D26-L30 PolarHBondContact O-N 2.93Å
27	S	73.7	Confident	70.3	Confident	80 Å²	80	81.6 Å²	81.6	56%	0.559	44%	0.443	S	S	*	.	H	α-helix	trans	-65.7	-36.1	172.4	42.4	0	0	0	0	113.4	S25 S31	S25-S27 PolarHBondContact O-N 3.19Å; S25-S27 PolarHBondContact OG-OG 2.94Å; S27-S31 WeakPolarHBondContact O-CB 3.21Å; S27-S31 PolarHBondContact O-N 3.28Å; S27-S31 PolarHBondContact O-OG 3.22Å
28	E	71.6	Confident	70.2	Confident	110 Å²	110	84.8 Å²	84.8	51%	0.514	46%	0.459	S	S	.	.	H	α-helix	trans	-73.2	-35.3	174.7	-74.9	164.5	128.1	0	0	111.7	G24 S25 S31 F32	G24-E28 WeakPolarHBondContact CA-OE2 3.49Å; S25-E28 WeakPolarHBondContact CB-OE2 3.21Å; S25-E28 PolarHBondContact N-OE2 2.77Å; S25-E28 PolarHBondContact O-N 3.44Å; S25-E28 VanDerWaalsContact OG-CG 3.29Å; S25-E28 WeakPolarHBondContact OG-CG 3.14Å; S25-E28 PolarHBondContact OG-N 2.89Å; S25-E28 PolarHBondContact OG-OE2 3.07Å; E28-S31 PolarHBondContact O-N 3.43Å; E28-S31 PolarHBondContact O-OG 3.49Å; E28-S31 VanDerWaalsContact O-OG 3.08Å; E28-F32 VanDerWaalsContact O-CB 3.24Å; E28-F32 WeakPolarHBondContact O-CB 3.36Å; E28-F32 PolarHBondContact O-N 3.15Å
29	F	74.6	Confident	70	Confident	3 Å²	3	84.9 Å²	84.9	1%	0.013	46%	0.457	C	S	.	.	H	α-helix	trans	-70	-38.9	173.8	-174.6	-124.3	0	0	0	112.1	F13 L16 K17 H20 P22 S25 D26 F32 I33	F13-F29 HydrophobicContact CD2-CD1 4.48Å; F13-F29 HydrophobicContact CD2-CE1 4.25Å; F13-F29 HydrophobicContact CE1-CD1 4.43Å; F13-F29 AromaticContact CE2-CD1 3.64Å; F13-F29 HydrophobicContact CE2-CD1 3.64Å; F13-F29 AromaticContact CE2-CE1 3.83Å; F13-F29 HydrophobicContact CE2-CE1 3.83Å; F13-F29 AromaticContact CZ-CD1 3.62Å; F13-F29 HydrophobicContact CZ-CD1 3.62Å; F13-F29 HydrophobicContact CZ-CE1 4.17Å; L16-F29 HydrophobicContact CB-CE1 4.49Å; L16-F29 HydrophobicContact CB-CZ 4.22Å; K17-F29 VanDerWaalsContact CA-CE1 3.49Å; K17-F29 VanDerWaalsContact CA-CZ 3.47Å; K17-F29 HydrophobicContact CB-CD1 3.86Å; K17-F29 HydrophobicContact CB-CE1 3.54Å; K17-F29 HydrophobicContact CB-CZ 4.07Å; K17-F29 HydrophobicContact CD-CD1 4.26Å; K17-F29 HydrophobicContact CG-CD1 3.83Å; K17-F29 HydrophobicContact CG-CE1 4Å; K17-F29 HydrophobicContact CG-CG 4.2Å; H20-F29 HydrophobicContact CB-CE2 3.93Å; H20-F29 HydrophobicContact CB-CZ 4.48Å; P22-F29 HydrophobicContact CG-CD2 3.45Å; P22-F29 VanDerWaalsContact CG-CD2 3.45Å; P22-F29 HydrophobicContact CG-CE2 3.9Å; P22-F29 HydrophobicContact CG-CG 4.29Å; S25-F29 PolarHBondContact O-N 3.1Å; D26-F29 PolarHBondContact O-N 3.47Å; F29-F32 HydrophobicContact CD2-CD1 4.31Å; F29-F32 HydrophobicContact CE2-CD1 4.29Å; F29-F32 WeakPolarHBondContact O-CB 3.32Å; F29-F32 PolarHBondContact O-N 3.27Å; F29-I33 HydrophobicContact CD1-CD1 3.93Å; F29-I33 HydrophobicContact CE1-CD1 3.48Å; F29-I33 VanDerWaalsContact CE1-CD1 3.48Å; F29-I33 HydrophobicContact CE1-CG1 4.4Å; F29-I33 HydrophobicContact CE2-CD1 4.15Å; F29-I33 HydrophobicContact CE2-CG1 4.2Å; F29-I33 HydrophobicContact CG-CD1 4.44Å; F29-I33 HydrophobicContact CZ-CD1 3.6Å; F29-I33 HydrophobicContact CZ-CG1 4.11Å; F29-I33 WeakPolarHBondContact O-CG1 3.49Å; F29-I33 PolarHBondContact O-N 3.49Å
30	L	74.9	Confident	69.7	Low	87 Å²	87	80.7 Å²	80.7	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-41.3	171.9	-75	168.2	0	0	0	112	F13 D26 F32 I33 V34	F13-L30 HydrophobicContact CD2-CD2 4.47Å; F13-L30 HydrophobicContact CE2-CD2 3.58Å; F13-L30 HydrophobicContact CE2-CG 4Å; F13-L30 HydrophobicContact CZ-CD2 4.13Å; F13-L30 HydrophobicContact CZ-CG 4.06Å; D26-L30 WeakPolarHBondContact O-CB 3.32Å; D26-L30 VanDerWaalsContact O-CG 3.31Å; D26-L30 WeakPolarHBondContact O-CG 3.15Å; D26-L30 PolarHBondContact O-N 2.93Å; L30-F32 VanDerWaalsContact C-N 3.32Å; L30-F32 PolarHBondContact O-N 2.71Å; L30-I33 PolarHBondContact O-N 2.61Å; L30-V34 WeakPolarHBondContact O-CB 3.09Å; L30-V34 VanDerWaalsContact O-CG2 3.32Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 2.74Å
31	S	74.3	Confident	69.2	Low	72 Å²	72	82.2 Å²	82.2	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-67.1	-34.4	175.3	80.6	0	0	0	0	111.8	S27 E28 S35	S27-S31 WeakPolarHBondContact O-CB 3.21Å; S27-S31 PolarHBondContact O-N 3.28Å; S27-S31 PolarHBondContact O-OG 3.22Å; E28-S31 PolarHBondContact O-N 3.43Å; E28-S31 PolarHBondContact O-OG 3.49Å; E28-S31 VanDerWaalsContact O-OG 3.08Å; S31-S35 WeakPolarHBondContact O-CB 3.09Å; S31-S35 PolarHBondContact O-N 3.05Å
32	F	77	Confident	68.6	Low	93 Å²	93	83.3 Å²	83.3	41%	0.408	46%	0.455	S	S	.	.	H	α-helix	trans	-63.1	-48.5	170.4	175.7	-94.9	0	0	0	111.8	E28 F29 L30 V34 S35 H36	E28-F32 VanDerWaalsContact O-CB 3.24Å; E28-F32 WeakPolarHBondContact O-CB 3.36Å; E28-F32 PolarHBondContact O-N 3.15Å; F29-F32 HydrophobicContact CD2-CD1 4.31Å; F29-F32 HydrophobicContact CE2-CD1 4.29Å; F29-F32 WeakPolarHBondContact O-CB 3.32Å; F29-F32 PolarHBondContact O-N 3.27Å; L30-F32 VanDerWaalsContact C-N 3.32Å; L30-F32 PolarHBondContact O-N 2.71Å; F32-V34 PolarHBondContact O-N 2.96Å; F32-S35 PolarHBondContact O-N 3.33Å; F32-H36 WeakPolarHBondContact O-CB 3.4Å; F32-H36 PolarHBondContact O-N 3.16Å
33	I	75	Confident	68.2	Low	42 Å²	42	87.5 Å²	87.5	22%	0.215	47%	0.469	C	S	.	.	H	α-helix	trans	-60.1	-46.3	175.8	-72.3	168.1	0	0	0	110.6	F13 F29 L30 H36 I37	F13-I33 HydrophobicContact CD2-CD1 4.49Å; F13-I33 HydrophobicContact CE2-CD1 4.16Å; F29-I33 HydrophobicContact CD1-CD1 3.93Å; F29-I33 HydrophobicContact CE1-CD1 3.48Å; F29-I33 VanDerWaalsContact CE1-CD1 3.48Å; F29-I33 HydrophobicContact CE1-CG1 4.4Å; F29-I33 HydrophobicContact CE2-CD1 4.15Å; F29-I33 HydrophobicContact CE2-CG1 4.2Å; F29-I33 HydrophobicContact CG-CD1 4.44Å; F29-I33 HydrophobicContact CZ-CD1 3.6Å; F29-I33 HydrophobicContact CZ-CG1 4.11Å; F29-I33 WeakPolarHBondContact O-CG1 3.49Å; F29-I33 PolarHBondContact O-N 3.49Å; L30-I33 PolarHBondContact O-N 2.61Å; I33-H36 PolarHBondContact O-N 3.27Å; I33-I37 HydrophobicContact CG2-CD1 3.63Å; I33-I37 HydrophobicContact CG2-CG1 4.29Å; I33-I37 WeakPolarHBondContact O-CB 3.42Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.43Å; I33-I37 PolarHBondContact O-N 3.1Å
34	V	75.4	Confident	67.7	Low	76 Å²	76	84.2 Å²	84.2	46%	0.461	45%	0.446	S	S	.	.	H	α-helix	trans	-64.7	-42	178.5	171.7	0	0	0	0	111.1	L30 F32 H36 I37 Q38	L30-V34 WeakPolarHBondContact O-CB 3.09Å; L30-V34 VanDerWaalsContact O-CG2 3.32Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 2.74Å; F32-V34 PolarHBondContact O-N 2.96Å; V34-H36 VanDerWaalsContact C-N 3.34Å; V34-I37 PolarHBondContact O-N 3.13Å; V34-Q38 HydrophobicContact CG1-CG 4.46Å; V34-Q38 VanDerWaalsContact O-CB 3.31Å; V34-Q38 WeakPolarHBondContact O-CB 3.48Å; V34-Q38 WeakPolarHBondContact O-CG 3.38Å; V34-Q38 PolarHBondContact O-N 2.97Å
35	S	75.2	Confident	66.4	Low	41 Å²	41	88.1 Å²	88.1	29%	0.287	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-36.6	175	-169.8	0	0	0	0	112.1	S31 F32 K39	S31-S35 WeakPolarHBondContact O-CB 3.09Å; S31-S35 PolarHBondContact O-N 3.05Å; F32-S35 PolarHBondContact O-N 3.33Å; S35-K39 WeakPolarHBondContact O-CB 3.44Å; S35-K39 WeakPolarHBondContact O-CG 3.33Å; S35-K39 PolarHBondContact O-N 3.39Å; S35-K39 PolarHBondContact OG-NZ 3.47Å
36	H	72.1	Confident	64.9	Low	73 Å²	73	90.4 Å²	90.4	34%	0.338	47%	0.47	S	S	.	.	H	α-helix	trans	-68.3	-48.6	175.8	-178.2	78	0	0	0	110.9	F32 I33 V34 Q38 K39 C40	F32-H36 WeakPolarHBondContact O-CB 3.4Å; F32-H36 PolarHBondContact O-N 3.16Å; I33-H36 PolarHBondContact O-N 3.27Å; V34-H36 VanDerWaalsContact C-N 3.34Å; H36-Q38 VanDerWaalsContact C-N 3.33Å; H36-Q38 PolarHBondContact O-N 3.17Å; H36-K39 PolarHBondContact O-N 3.29Å; H36-K39 VanDerWaalsContact O-N 3.15Å; H36-C40 VanDerWaalsContact CE1-SG 3.59Å; H36-C40 WeakPolarHBondContact O-CB 3.24Å; H36-C40 PolarHBondContact O-N 3.23Å; H36-C40 PolarHBondContact O-SG 3.37Å; H36-C40 VanDerWaalsContact O-SG 3.38Å
37	I	71.5	Confident	63.1	Low	92 Å²	92	91.3 Å²	91.3	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-59.2	-44.3	174.1	-68.5	169.5	0	0	0	110.3	I33 V34 K39 C40 C41	I33-I37 HydrophobicContact CG2-CD1 3.63Å; I33-I37 HydrophobicContact CG2-CG1 4.29Å; I33-I37 WeakPolarHBondContact O-CB 3.42Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.43Å; I33-I37 PolarHBondContact O-N 3.1Å; V34-I37 PolarHBondContact O-N 3.13Å; I37-K39 PolarHBondContact O-N 2.85Å; I37-C40 PolarHBondContact O-N 3.49Å; I37-C41 WeakPolarHBondContact O-CB 3.35Å; I37-C41 PolarHBondContact O-N 3.06Å; I37-C41 PolarHBondContact O-SG 2.84Å
38	Q	69.4	Low	61.3	Low	118 Å²	118	93.4 Å²	93.4	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-59.1	-46.9	174.1	-75.9	171.7	-7	0	0	111.6	V34 H36 Y42	V34-Q38 HydrophobicContact CG1-CG 4.46Å; V34-Q38 VanDerWaalsContact O-CB 3.31Å; V34-Q38 WeakPolarHBondContact O-CB 3.48Å; V34-Q38 WeakPolarHBondContact O-CG 3.38Å; V34-Q38 PolarHBondContact O-N 2.97Å; H36-Q38 VanDerWaalsContact C-N 3.33Å; H36-Q38 PolarHBondContact O-N 3.17Å; Q38-Y42 WeakPolarHBondContact O-CB 3.49Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.49Å; Q38-Y42 PolarHBondContact O-N 3.26Å
39	K	68.8	Low	59.5	Low	139 Å²	139	90.5 Å²	90.5	60%	0.604	48%	0.478	S	S	*	.	H	α-helix	trans	-66.7	-37	178.8	-75.5	168.3	-178.6	168.3	0	113.3	S35 H36 I37 Y42 K43	S35-K39 WeakPolarHBondContact O-CB 3.44Å; S35-K39 WeakPolarHBondContact O-CG 3.33Å; S35-K39 PolarHBondContact O-N 3.39Å; S35-K39 PolarHBondContact OG-NZ 3.47Å; H36-K39 PolarHBondContact O-N 3.29Å; H36-K39 VanDerWaalsContact O-N 3.15Å; I37-K39 PolarHBondContact O-N 2.85Å; K39-Y42 PolarHBondContact O-N 3.29Å; K39-K43 WeakPolarHBondContact O-CG 3.44Å; K39-K43 PolarHBondContact O-N 3.08Å
40	C	62.1	Low	57.7	Low	42 Å²	42	95.7 Å²	95.7	28%	0.284	51%	0.51	S	S	.	.	H	α-helix	trans	-73.5	-42.7	176.8	-71.2	0	0	0	0	111.8	H36 I37 Y42 K43 N44	H36-C40 VanDerWaalsContact CE1-SG 3.59Å; H36-C40 WeakPolarHBondContact O-CB 3.24Å; H36-C40 PolarHBondContact O-N 3.23Å; H36-C40 PolarHBondContact O-SG 3.37Å; H36-C40 VanDerWaalsContact O-SG 3.38Å; I37-C40 PolarHBondContact O-N 3.49Å; C40-Y42 PolarHBondContact O-N 3.35Å; C40-K43 PolarHBondContact O-N 3.45Å; C40-N44 PolarHBondContact O-N 2.81Å
41	C	51.4	Low	55.7	Low	95 Å²	95	98 Å²	98	64%	0.642	53%	0.528	S	S	*	.	H	α-helix	trans	-62.2	-25.7	172.8	-72.1	0	0	0	0	112.9	I37	I37-C41 WeakPolarHBondContact O-CB 3.35Å; I37-C41 PolarHBondContact O-N 3.06Å; I37-C41 PolarHBondContact O-SG 2.84Å
42	Y	51.3	Low	53.7	Low	213 Å²	213	103 Å²	103	84%	0.835	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.1	172.6	-100.4	-81.3	0	0	0	114.7	Q38 K39 C40	Q38-Y42 WeakPolarHBondContact O-CB 3.49Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.49Å; Q38-Y42 PolarHBondContact O-N 3.26Å; K39-Y42 PolarHBondContact O-N 3.29Å; C40-Y42 PolarHBondContact O-N 3.35Å
43	K	48.1	Very low	51.4	Low	135 Å²	135	102.7 Å²	102.7	59%	0.587	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	-9.1	-173.5	-79.3	-167.3	168.5	-161	0	115.7	K39 C40 E45	K39-K43 WeakPolarHBondContact O-CG 3.44Å; K39-K43 PolarHBondContact O-N 3.08Å; C40-K43 PolarHBondContact O-N 3.45Å; K43-E45 PolarHBondContact O-N 2.84Å
44	N	43	Very low	49.1	Very low	91 Å²	91	108.7 Å²	108.7	49%	0.487	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	52	18.7	-174	-78.6	-15.3	0	0	0	114	C40 S46 D110	C40-N44 PolarHBondContact O-N 2.81Å; N44-S46 PolarHBondContact O-N 3.22Å; N44-D110 PolarHBondContact ND2-O 3.08Å
45	E	37.4	Very low	47	Very low	116 Å²	116	109.8 Å²	109.8	54%	0.542	60%	0.598	S	S	.	*			trans	-89.2	107.5	172.3	-74.5	178.3	149	0	0	107.8	K43	K43-E45 PolarHBondContact O-N 2.84Å
46	S	43.6	Very low	44.9	Very low	96 Å²	96	114.7 Å²	114.7	67%	0.671	62%	0.621	S	S	*	*			trans	-59.1	154.9	167.4	58.8	0	0	0	0	111.1	N44	N44-S46 PolarHBondContact O-N 3.22Å
47	C	33.9	Very low	43.1	Very low	104 Å²	104	115 Å²	115	70%	0.703	64%	0.644	S	S	*	*			trans	92.1	110.5	169.8	-58.7	0	0	0	0	114.6
48	N	37.1	Very low	41.7	Very low	123 Å²	123	114.5 Å²	114.5	66%	0.658	65%	0.645	S	S	*	*				86.8	110.2	65.5	-172.4	23.6	0	0	0	109.6	T50	N48-T50 PolarHBondContact O-N 2.74Å
49	P	34.4	Very low	40.8	Very low	50 Å²	50	112.6 Å²	112.6	33%	0.325	65%	0.645	S	S	.	*	S	Bend	trans	-72.7	91.7	-177.8	29.2	-34.1	0	0	0	111.2	L16 H20	L16-P49 HydrophobicContact CD2-CG 3.98Å; H20-P49 WeakPolarHBondContact NE2-CB 3.45Å
50	T	35.8	Very low	40.3	Very low	112 Å²	112	111.1 Å²	111.1	69%	0.687	64%	0.643	S	S	*	*			trans	-139.1	78.8	162.2	-53.1	0	0	0	0	108.6	N48 Q52	N48-T50 PolarHBondContact O-N 2.74Å; T50-Q52 VanDerWaalsContact C-N 3.34Å; T50-Q52 PolarHBondContact O-N 3.35Å
51	V	33.4	Very low	40.4	Very low	135 Å²	135	112 Å²	112	82%	0.818	64%	0.64	S	S	*	*			trans	-76.6	90.3	169.1	178.6	0	0	0	0	108.2
52	Q	31	Very low	41.4	Very low	177 Å²	177	111 Å²	111	83%	0.827	64%	0.635	S	S	*	*			trans	-166.7	138.3	138.2	-106.9	162.5	48.1	0	0	111.3	T50	T50-Q52 VanDerWaalsContact C-N 3.34Å; T50-Q52 PolarHBondContact O-N 3.35Å
53	A	29.8	Very low	42.4	Very low	87 Å²	87	101.1 Å²	101.1	72%	0.719	60%	0.597	S	S	*	*	S	Bend	trans	81.9	108.1	163.6	0	0	0	0	0	120
54	L	27.2	Very low	43.3	Very low	167 Å²	167	96.9 Å²	96.9	87%	0.874	58%	0.583	S	S	*	*			trans	85.4	154.3	141.7	-86.6	75.5	0	0	0	119.4
55	P	30.9	Very low	44.4	Very low	99 Å²	99	95.3 Å²	95.3	64%	0.643	57%	0.573	S	S	*	*			trans	-103.4	170.1	-137.8	39.8	-38.7	0	0	0	115.3
56	N	30.4	Very low	46.1	Very low	145 Å²	145	91.9 Å²	91.9	78%	0.775	56%	0.561	S	S	*	*			trans	65	47.8	162.7	-55.5	-12.5	0	0	0	115.9	T58	N56-T58 PolarHBondContact O-N 2.8Å
57	G	34.7	Very low	47.4	Very low	80 Å²	80	97.5 Å²	97.5	83%	0.825	57%	0.573	S	S	*	*			trans	-72.1	57.2	159.2	0	0	0	0	0	112.3	S59	G57-S59 PolarHBondContact O-N 2.7Å
58	T	41.5	Very low	49.5	Very low	80 Å²	80	96.3 Å²	96.3	49%	0.491	56%	0.556	S	S	.	*			trans	-65.5	104.1	174.7	-40.9	0	0	0	0	107.9	N56 L60 G71	N56-T58 PolarHBondContact O-N 2.8Å; T58-L60 VanDerWaalsContact C-N 3.27Å; T58-L60 PolarHBondContact O-N 3.22Å; T58-G71 WeakPolarHBondContact CG2-O 3.38Å
59	S	50.4	Low	51.3	Low	78 Å²	78	93.3 Å²	93.3	55%	0.545	55%	0.545	S	S	.	.			trans	-61.6	92.2	174.2	-82.8	0	0	0	0	108.9	G57 R61	G57-S59 PolarHBondContact O-N 2.7Å; S59-R61 WeakPolarHBondContact O-CG 3.4Å; S59-R61 PolarHBondContact O-N 2.85Å
60	L	58	Low	53.1	Low	108 Å²	108	91 Å²	91	57%	0.565	53%	0.53	S	S	*	.			trans	-65.4	96.5	-170.4	-153.5	81.2	0	0	0	108.8	T58 S62	T58-L60 VanDerWaalsContact C-N 3.27Å; T58-L60 PolarHBondContact O-N 3.22Å; L60-S62 PolarHBondContact O-N 2.88Å
61	R	65	Low	54.8	Low	60 Å²	60	87.4 Å²	87.4	23%	0.226	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.6	-176.6	-63.2	-161.4	172.9	-146.8	2.7	108	S59 A70 L76 D110	S59-R61 WeakPolarHBondContact O-CG 3.4Å; S59-R61 PolarHBondContact O-N 2.85Å; R61-A70 PolarHBondContact N-O 3.36Å; R61-A70 PolarHBondContact O-N 3.27Å; R61-L76 HydrophobicContact CB-CD2 3.66Å; R61-D110 IonicContact CZ-OD1 2.65Å; R61-D110 IonicContact NH1-OD1 3.79Å; R61-D110 PolarHBondContact NH1-OD1 3.38Å
62	S	73.1	Confident	57	Low	75 Å²	75	84 Å²	84	52%	0.524	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	145.4	179	43	0	0	0	0	111.2	L60 F68	L60-S62 PolarHBondContact O-N 2.88Å; S62-F68 CarbonylContact C-O 3Å; S62-F68 WeakPolarHBondContact CA-O 3.32Å
63	C	71.8	Confident	59.3	Low	6 Å²	6	77.7 Å²	77.7	4%	0.041	47%	0.471	C	S	.	.			trans	-65.3	133	162.5	-177.1	0	0	0	0	108.2	E65 C66 F68 L76 H79 F80 H84	C63-E65 VanDerWaalsContact C-N 3.35Å; C63-E65 PolarHBondContact SG-N 3.41Å; C63-E65 VanDerWaalsContact SG-N 3.43Å; C63-C66 CarbonylContact C-O 3.34Å; C63-C66 PolarHBondContact SG-N 2.88Å; C63-F68 HydrophobicContact CB-CB 4.2Å; C63-F68 PolarHBondContact N-O 3.46Å; C63-L76 HydrophobicContact CB-CD1 4.03Å; C63-H79 WeakPolarHBondContact CB-NE2 3.32Å; C63-H79 PolarHBondContact SG-NE2 2.96Å; C63-F80 HydrophobicContact CB-CE1 3.95Å; C63-H84 PolarHBondContact SG-NE2 3.41Å; C63-H84 VanDerWaalsContact SG-NE2 3.43Å
64	P	67	Low	61.7	Low	45 Å²	45	80.2 Å²	80.2	29%	0.292	47%	0.468	S	S	.	.	S	Bend	trans	-85.6	-9.8	176.2	36.1	-37.7	0	0	0	112.6	L105 Y108 L118	P64-L105 HydrophobicContact CG-CD2 3.84Å; P64-Y108 HydrophobicContact CB-CD1 4.41Å; P64-Y108 HydrophobicContact CB-CE1 3.97Å; P64-Y108 HydrophobicContact CG-CD1 4.05Å; P64-Y108 HydrophobicContact CG-CE1 4.12Å; P64-L118 HydrophobicContact CB-CD1 3.45Å; P64-L118 VanDerWaalsContact CB-CD1 3.45Å; P64-L118 HydrophobicContact CG-CD1 3.36Å
65	E	66.5	Low	64.1	Low	58 Å²	58	77 Å²	77	27%	0.271	45%	0.448	S	S	.	.	S	Bend	trans	-93.4	-22.2	174.1	-74.3	-69.8	163.9	0	0	113.4	C63 H84 L105 L118	C63-E65 VanDerWaalsContact C-N 3.35Å; C63-E65 PolarHBondContact SG-N 3.41Å; C63-E65 VanDerWaalsContact SG-N 3.43Å; E65-H84 VanDerWaalsContact CB-CE1 3.4Å; E65-H84 WeakPolarHBondContact CB-CE1 3.39Å; E65-L105 HydrophobicContact CG-CD1 4.13Å; E65-L105 HydrophobicContact CG-CD2 4.03Å; E65-L118 VanDerWaalsContact OE1-CD2 3.29Å; E65-L118 WeakPolarHBondContact OE1-CD2 3.23Å
66	C	72.7	Confident	66.4	Low	45 Å²	45	72.3 Å²	72.3	30%	0.304	42%	0.418	S	S	.	.	S	Bend	trans	-148.7	172.3	179.9	91.5	0	0	0	0	112.9	C63 F68 H79	C63-C66 CarbonylContact C-O 3.34Å; C63-C66 PolarHBondContact SG-N 2.88Å; C66-F68 PolarHBondContact O-N 2.98Å; C66-F68 VanDerWaalsContact O-N 3.08Å; C66-F68 WeakPolarHBondContact SG-CB 3.32Å; C66-F68 PolarHBondContact SG-N 2.84Å; C66-F68 VanDerWaalsContact SG-N 3.36Å; C66-H79 PolarHBondContact SG-CE1 3.47Å; C66-H79 PolarHBondContact SG-NE2 3.31Å
67	K	71.2	Confident	69	Low	213 Å²	213	68.2 Å²	68.2	93%	0.926	39%	0.392	S	S	*	.	S	Bend	trans	-76.1	11.6	-177.1	-61.1	-175.3	-179.6	-179.8	0	115
68	F	77.6	Confident	71.2	Confident	79 Å²	79	69.9 Å²	69.9	35%	0.346	38%	0.381	S	S	.	.			trans	-71	138.7	177.6	-175	-103	0	0	0	110.8	S62 C63 C66 A70 L76 H79	S62-F68 CarbonylContact C-O 3Å; S62-F68 WeakPolarHBondContact CA-O 3.32Å; C63-F68 HydrophobicContact CB-CB 4.2Å; C63-F68 PolarHBondContact N-O 3.46Å; C66-F68 PolarHBondContact O-N 2.98Å; C66-F68 VanDerWaalsContact O-N 3.08Å; C66-F68 WeakPolarHBondContact SG-CB 3.32Å; C66-F68 PolarHBondContact SG-N 2.84Å; C66-F68 VanDerWaalsContact SG-N 3.36Å; F68-A70 HydrophobicContact CE1-CB 3.91Å; F68-L76 HydrophobicContact CD1-CD1 4.2Å; F68-H79 HydrophobicContact CD1-CB 3.58Å; F68-H79 AromaticContact CD1-CD2 3.48Å; F68-H79 VanDerWaalsContact CD1-CD2 3.48Å; F68-H79 WeakPolarHBondContact CD1-CD2 3.44Å; F68-H79 AromaticContact CD1-CG 3.26Å; F68-H79 AromaticContact CD1-ND1 3.74Å; F68-H79 HydrophobicContact CE1-CB 3.43Å; F68-H79 VanDerWaalsContact CE1-CB 3.43Å; F68-H79 AromaticContact CE1-CG 3.68Å; F68-H79 HydrophobicContact CG-CB 4.37Å; F68-H79 AromaticContact CG-CD2 3.94Å; F68-H79 AromaticContact CG-CE1 3.89Å; F68-H79 AromaticContact CG-CG 3.7Å; F68-H79 AromaticContact CG-ND1 3.67Å; F68-H79 HydrophobicContact CZ-CB 4.14Å
69	S	74	Confident	73.3	Confident	60 Å²	60	66.7 Å²	66.7	42%	0.42	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	119.6	-179.5	62.6	0	0	0	0	109.6
70	A	74	Confident	74.9	Confident	1 Å²	1	63 Å²	63	1%	0.008	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148.9	-173.4	0	0	0	0	0	112.3	R61 F68 T72 Q75 L76	R61-A70 PolarHBondContact N-O 3.36Å; R61-A70 PolarHBondContact O-N 3.27Å; F68-A70 HydrophobicContact CE1-CB 3.91Å; A70-T72 VanDerWaalsContact CB-O 3.3Å; A70-T72 WeakPolarHBondContact CB-O 3.36Å; A70-Q75 HydrophobicContact CB-CB 3.76Å; A70-L76 HydrophobicContact CB-CB 3.85Å
71	G	71.6	Confident	76.2	Confident	38 Å²	38	62.1 Å²	62.1	39%	0.392	33%	0.328	S	S	.	.	S	Bend	trans	-82	-23.6	170.6	0	0	0	0	0	113.1	T58	T58-G71 WeakPolarHBondContact CG2-O 3.38Å
72	T	79.1	Confident	76.9	Confident	64 Å²	64	63.5 Å²	63.5	39%	0.393	35%	0.347	S	S	.	.	S	Bend	trans	-126.8	152.7	175.7	67.3	0	0	0	0	111	A70 E74 Q75 L76	A70-T72 VanDerWaalsContact CB-O 3.3Å; A70-T72 WeakPolarHBondContact CB-O 3.36Å; T72-E74 PolarHBondContact O-N 3.23Å; T72-Q75 PolarHBondContact O-N 3.37Å; T72-Q75 WeakPolarHBondContact OG1-CG 3.35Å; T72-Q75 PolarHBondContact OG1-N 3Å; T72-L76 PolarHBondContact O-N 3.39Å
73	S	78.7	Confident	77.2	Confident	44 Å²	44	63.7 Å²	63.7	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-34.5	175.1	-53.2	0	0	0	0	112	L76 W77	S73-L76 WeakPolarHBondContact O-CB 3.4Å; S73-L76 PolarHBondContact O-N 3.13Å; S73-L76 VanDerWaalsContact O-N 3.13Å; S73-W77 VanDerWaalsContact O-CD1 3.23Å; S73-W77 VanDerWaalsContact O-CD2 3.26Å; S73-W77 PolarHBondContact O-N 3.28Å
74	E	79.8	Confident	77.5	Confident	140 Å²	140	64 Å²	64	65%	0.654	35%	0.345	S	S	*	.	H	α-helix	trans	-59.8	-48.6	176.8	-66.9	171.1	166.2	0	0	112	T72 L76 W77 D78	T72-E74 PolarHBondContact O-N 3.23Å; E74-L76 PolarHBondContact O-N 3.07Å; E74-W77 PolarHBondContact O-N 2.78Å; E74-W77 VanDerWaalsContact O-N 3.07Å; E74-D78 PolarHBondContact O-N 2.82Å
75	Q	78.2	Confident	78	Confident	99 Å²	99	65.1 Å²	65.1	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-31.8	174.5	-76.6	169.8	1.6	0	0	112.7	A70 T72 H79	A70-Q75 HydrophobicContact CB-CB 3.76Å; T72-Q75 PolarHBondContact O-N 3.37Å; T72-Q75 WeakPolarHBondContact OG1-CG 3.35Å; T72-Q75 PolarHBondContact OG1-N 3Å; Q75-H79 VanDerWaalsContact O-CB 3.26Å; Q75-H79 WeakPolarHBondContact O-CB 3.33Å; Q75-H79 PolarHBondContact O-N 3.17Å; Q75-H79 VanDerWaalsContact O-N 3.14Å
76	L	79.7	Confident	78.3	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-74.4	-39.6	175.3	-172.1	63.7	0	0	0	112.1	R61 C63 F68 A70 T72 S73 E74 H79 F80 V109	R61-L76 HydrophobicContact CB-CD2 3.66Å; C63-L76 HydrophobicContact CB-CD1 4.03Å; F68-L76 HydrophobicContact CD1-CD1 4.2Å; A70-L76 HydrophobicContact CB-CB 3.85Å; T72-L76 PolarHBondContact O-N 3.39Å; S73-L76 WeakPolarHBondContact O-CB 3.4Å; S73-L76 PolarHBondContact O-N 3.13Å; S73-L76 VanDerWaalsContact O-N 3.13Å; E74-L76 PolarHBondContact O-N 3.07Å; L76-H79 WeakPolarHBondContact O-CB 3.31Å; L76-H79 PolarHBondContact O-N 3.24Å; L76-F80 HydrophobicContact CD1-CD1 4.3Å; L76-F80 HydrophobicContact CD1-CE1 3.52Å; L76-F80 HydrophobicContact CD1-CZ 3.88Å; L76-F80 HydrophobicContact CD2-CE1 4.32Å; L76-F80 HydrophobicContact CD2-CE2 4.44Å; L76-F80 HydrophobicContact CD2-CZ 3.8Å; L76-F80 HydrophobicContact CG-CD1 4.38Å; L76-F80 HydrophobicContact CG-CE1 3.67Å; L76-F80 HydrophobicContact CG-CE2 4.19Å; L76-F80 HydrophobicContact CG-CZ 3.57Å; L76-F80 VanDerWaalsContact O-CD1 3.26Å; L76-F80 WeakPolarHBondContact O-CD1 3.47Å; L76-F80 VanDerWaalsContact O-CG 3.3Å; L76-F80 WeakPolarHBondContact O-CG 3.36Å; L76-F80 PolarHBondContact O-N 3.43Å; L76-V109 HydrophobicContact CD2-CG2 4.36Å
77	W	84	Confident	78.4	Confident	60 Å²	60	70.3 Å²	70.3	23%	0.227	38%	0.375	C	S	.	.	H	α-helix	trans	-68.2	-42.4	177.3	-52.9	152.3	0	0	0	111.7	S73 E74 H79 F80 E81 R106 V109	S73-W77 VanDerWaalsContact O-CD1 3.23Å; S73-W77 VanDerWaalsContact O-CD2 3.26Å; S73-W77 PolarHBondContact O-N 3.28Å; E74-W77 PolarHBondContact O-N 2.78Å; E74-W77 VanDerWaalsContact O-N 3.07Å; W77-H79 VanDerWaalsContact C-N 3.27Å; W77-H79 PolarHBondContact O-N 3.05Å; W77-F80 AromaticContact CE3-CD2 3.7Å; W77-F80 HydrophobicContact CE3-CD2 3.7Å; W77-F80 AromaticContact CE3-CE2 3.53Å; W77-F80 HydrophobicContact CE3-CE2 3.53Å; W77-F80 HydrophobicContact CE3-CZ 4.38Å; W77-F80 HydrophobicContact CZ3-CD2 4.1Å; W77-F80 AromaticContact CZ3-CE2 3.46Å; W77-F80 HydrophobicContact CZ3-CE2 3.46Å; W77-F80 VanDerWaalsContact CZ3-CE2 3.46Å; W77-F80 HydrophobicContact CZ3-CZ 4.22Å; W77-F80 WeakPolarHBondContact O-CB 3.33Å; W77-F80 PolarHBondContact O-N 3.16Å; W77-F80 VanDerWaalsContact O-N 3.1Å; W77-E81 PolarHBondContact O-N 3.45Å; W77-R106 HydrophobicContact CD2-CG 4.18Å; W77-R106 HydrophobicContact CE3-CB 4.34Å; W77-R106 HydrophobicContact CE3-CG 4.19Å; W77-R106 HydrophobicContact CH2-CB 4.35Å; W77-R106 HydrophobicContact CH2-CG 3.78Å; W77-R106 HydrophobicContact CZ2-CG 3.79Å; W77-R106 HydrophobicContact CZ3-CB 4.16Å; W77-R106 HydrophobicContact CZ3-CG 4.02Å; W77-V109 HydrophobicContact CH2-CB 3.98Å; W77-V109 HydrophobicContact CH2-CG1 3.71Å; W77-V109 HydrophobicContact CZ3-CB 4.16Å; W77-V109 HydrophobicContact CZ3-CG1 4.15Å; W77-V109 HydrophobicContact CZ3-CG2 4.34Å
78	D	82.2	Confident	78.2	Confident	114 Å²	114	61.6 Å²	61.6	61%	0.61	35%	0.347	S	S	*	.	H	α-helix	trans	-61.5	-38.3	172.8	-72.6	-12.4	0	0	0	111.1	E74 E81 S82	E74-D78 PolarHBondContact O-N 2.82Å; D78-E81 PolarHBondContact O-N 2.93Å; D78-S82 VanDerWaalsContact O-CB 3.26Å; D78-S82 WeakPolarHBondContact O-CB 3.49Å; D78-S82 PolarHBondContact O-N 3.49Å; D78-S82 PolarHBondContact O-OG 3.21Å
79	H	84.5	Confident	77.8	Confident	14 Å²	14	63.7 Å²	63.7	7%	0.065	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-39.7	172.1	168.6	69.4	0	0	0	112.4	C63 C66 F68 Q75 L76 W77 S82 V83 H84	C63-H79 WeakPolarHBondContact CB-NE2 3.32Å; C63-H79 PolarHBondContact SG-NE2 2.96Å; C66-H79 PolarHBondContact SG-CE1 3.47Å; C66-H79 PolarHBondContact SG-NE2 3.31Å; F68-H79 HydrophobicContact CD1-CB 3.58Å; F68-H79 AromaticContact CD1-CD2 3.48Å; F68-H79 VanDerWaalsContact CD1-CD2 3.48Å; F68-H79 WeakPolarHBondContact CD1-CD2 3.44Å; F68-H79 AromaticContact CD1-CG 3.26Å; F68-H79 AromaticContact CD1-ND1 3.74Å; F68-H79 HydrophobicContact CE1-CB 3.43Å; F68-H79 VanDerWaalsContact CE1-CB 3.43Å; F68-H79 AromaticContact CE1-CG 3.68Å; F68-H79 HydrophobicContact CG-CB 4.37Å; F68-H79 AromaticContact CG-CD2 3.94Å; F68-H79 AromaticContact CG-CE1 3.89Å; F68-H79 AromaticContact CG-CG 3.7Å; F68-H79 AromaticContact CG-ND1 3.67Å; F68-H79 HydrophobicContact CZ-CB 4.14Å; Q75-H79 VanDerWaalsContact O-CB 3.26Å; Q75-H79 WeakPolarHBondContact O-CB 3.33Å; Q75-H79 PolarHBondContact O-N 3.17Å; Q75-H79 VanDerWaalsContact O-N 3.14Å; L76-H79 WeakPolarHBondContact O-CB 3.31Å; L76-H79 PolarHBondContact O-N 3.24Å; W77-H79 VanDerWaalsContact C-N 3.27Å; W77-H79 PolarHBondContact O-N 3.05Å; H79-S82 WeakPolarHBondContact CA-OG 3.21Å; H79-S82 PolarHBondContact O-OG 2.93Å; H79-V83 WeakPolarHBondContact ND1-CG2 3.23Å; H79-V83 WeakPolarHBondContact O-CB 3.31Å; H79-V83 PolarHBondContact O-N 3.2Å; H79-H84 AromaticContact NE2-CD2 3.7Å; H79-H84 AromaticContact NE2-NE2 3.53Å
80	F	84.4	Confident	77.6	Confident	1 Å²	1	62.9 Å²	62.9	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-45	174.8	-64.5	-10.2	0	0	0	111.9	C63 L76 W77 S82 H84 P102 L105 V109	C63-F80 HydrophobicContact CB-CE1 3.95Å; L76-F80 HydrophobicContact CD1-CD1 4.3Å; L76-F80 HydrophobicContact CD1-CE1 3.52Å; L76-F80 HydrophobicContact CD1-CZ 3.88Å; L76-F80 HydrophobicContact CD2-CE1 4.32Å; L76-F80 HydrophobicContact CD2-CE2 4.44Å; L76-F80 HydrophobicContact CD2-CZ 3.8Å; L76-F80 HydrophobicContact CG-CD1 4.38Å; L76-F80 HydrophobicContact CG-CE1 3.67Å; L76-F80 HydrophobicContact CG-CE2 4.19Å; L76-F80 HydrophobicContact CG-CZ 3.57Å; L76-F80 VanDerWaalsContact O-CD1 3.26Å; L76-F80 WeakPolarHBondContact O-CD1 3.47Å; L76-F80 VanDerWaalsContact O-CG 3.3Å; L76-F80 WeakPolarHBondContact O-CG 3.36Å; L76-F80 PolarHBondContact O-N 3.43Å; W77-F80 AromaticContact CE3-CD2 3.7Å; W77-F80 HydrophobicContact CE3-CD2 3.7Å; W77-F80 AromaticContact CE3-CE2 3.53Å; W77-F80 HydrophobicContact CE3-CE2 3.53Å; W77-F80 HydrophobicContact CE3-CZ 4.38Å; W77-F80 HydrophobicContact CZ3-CD2 4.1Å; W77-F80 AromaticContact CZ3-CE2 3.46Å; W77-F80 HydrophobicContact CZ3-CE2 3.46Å; W77-F80 VanDerWaalsContact CZ3-CE2 3.46Å; W77-F80 HydrophobicContact CZ3-CZ 4.22Å; W77-F80 WeakPolarHBondContact O-CB 3.33Å; W77-F80 PolarHBondContact O-N 3.16Å; W77-F80 VanDerWaalsContact O-N 3.1Å; F80-S82 VanDerWaalsContact C-N 3.35Å; F80-S82 PolarHBondContact O-N 3.46Å; F80-H84 CarbonylContact O-C 3.59Å; F80-H84 WeakPolarHBondContact O-CA 3.04Å; F80-H84 WeakPolarHBondContact O-CB 3.28Å; F80-H84 PolarHBondContact O-N 2.97Å; F80-P102 HydrophobicContact CB-CB 4.01Å; F80-L105 HydrophobicContact CD1-CD1 3.93Å; F80-L105 HydrophobicContact CD2-CB 3.47Å; F80-L105 VanDerWaalsContact CD2-CB 3.47Å; F80-L105 HydrophobicContact CD2-CD1 4.22Å; F80-L105 HydrophobicContact CE1-CB 4.39Å; F80-L105 HydrophobicContact CE1-CD1 4.16Å; F80-L105 HydrophobicContact CE2-CB 3.29Å; F80-L105 HydrophobicContact CE2-CD1 4.41Å; F80-L105 HydrophobicContact CE2-CG 4.46Å; F80-L105 HydrophobicContact CG-CB 4.11Å; F80-L105 HydrophobicContact CG-CD1 3.98Å; F80-L105 HydrophobicContact CZ-CB 3.81Å; F80-L105 HydrophobicContact CZ-CD1 4.39Å; F80-V109 HydrophobicContact CE2-CG2 4.43Å; F80-V109 HydrophobicContact CZ-CG2 4.2Å
81	E	84.5	Confident	77.3	Confident	89 Å²	89	66.9 Å²	66.9	42%	0.416	39%	0.388	S	S	.	.	H	α-helix	trans	-71.2	-29.1	-179.5	-161.3	68.2	-145.8	0	0	112.4	W77 D78 R100	W77-E81 PolarHBondContact O-N 3.45Å; D78-E81 PolarHBondContact O-N 2.93Å; E81-R100 VanDerWaalsContact CD-NH1 3.32Å; E81-R100 IonicContact OE1-CZ 3.98Å; E81-R100 IonicContact OE1-NH1 3.3Å; E81-R100 PolarHBondContact OE1-NH1 2.74Å; E81-R100 IonicContact OE1-NH2 3.43Å; E81-R100 PolarHBondContact OE1-NH2 3.12Å; E81-R100 IonicContact OE2-CZ 3.21Å; E81-R100 IonicContact OE2-NH1 2.74Å; E81-R100 PolarHBondContact OE2-NH1 3.41Å; E81-R100 VanDerWaalsContact OE2-NH1 3.08Å
82	S	81.5	Confident	77.3	Confident	88 Å²	88	65.3 Å²	65.3	62%	0.615	37%	0.371	S	S	*	.	H	α-helix	trans	-89.8	-32.7	-179.6	58.2	0	0	0	0	115.3	D78 H79 F80	D78-S82 VanDerWaalsContact O-CB 3.26Å; D78-S82 WeakPolarHBondContact O-CB 3.49Å; D78-S82 PolarHBondContact O-N 3.49Å; D78-S82 PolarHBondContact O-OG 3.21Å; H79-S82 WeakPolarHBondContact CA-OG 3.21Å; H79-S82 PolarHBondContact O-OG 2.93Å; F80-S82 VanDerWaalsContact C-N 3.35Å; F80-S82 PolarHBondContact O-N 3.46Å
83	V	78.5	Confident	76.7	Confident	80 Å²	80	65.9 Å²	65.9	49%	0.485	37%	0.374	S	S	.	.	H	α-helix	trans	-107.4	-24.8	-176.7	-176	0	0	0	0	112.6	H79	H79-V83 WeakPolarHBondContact ND1-CG2 3.23Å; H79-V83 WeakPolarHBondContact O-CB 3.31Å; H79-V83 PolarHBondContact O-N 3.2Å
84	H	77	Confident	76.1	Confident	11 Å²	11	66.2 Å²	66.2	5%	0.051	38%	0.376	C	S	.	.			trans	-124.3	46.6	-177.6	-59.3	-64.9	0	0	0	114	C63 E65 H79 F80 D86 L101 P102 L105	C63-H84 PolarHBondContact SG-NE2 3.41Å; C63-H84 VanDerWaalsContact SG-NE2 3.43Å; E65-H84 VanDerWaalsContact CB-CE1 3.4Å; E65-H84 WeakPolarHBondContact CB-CE1 3.39Å; H79-H84 AromaticContact NE2-CD2 3.7Å; H79-H84 AromaticContact NE2-NE2 3.53Å; F80-H84 CarbonylContact O-C 3.59Å; F80-H84 WeakPolarHBondContact O-CA 3.04Å; F80-H84 WeakPolarHBondContact O-CB 3.28Å; F80-H84 PolarHBondContact O-N 2.97Å; H84-D86 PolarHBondContact O-N 3.46Å; H84-L101 HydrophobicContact CB-CD2 3.92Å; H84-L101 HydrophobicContact CB-CG 4.34Å; H84-P102 VanDerWaalsContact O-CD 3.28Å; H84-P102 WeakPolarHBondContact O-CD 3.17Å; H84-P102 VanDerWaalsContact O-CG 3.3Å; H84-P102 WeakPolarHBondContact O-CG 3.3Å; H84-L105 HydrophobicContact CB-CD1 4.17Å
85	P	78.6	Confident	75.7	Confident	69 Å²	69	62.5 Å²	62.5	45%	0.448	38%	0.376	S	S	.	.			trans	-71.8	25.3	-177.2	34.3	-39.2	0	0	0	114.6	E87	P85-E87 PolarHBondContact O-N 3.24Å
86	D	72.2	Confident	75.4	Confident	92 Å²	92	61.6 Å²	61.6	49%	0.492	37%	0.374	S	S	.	.			trans	-72.9	127.8	-171.3	-67.7	-48.7	0	0	0	112.7	H84 L101	H84-D86 PolarHBondContact O-N 3.46Å; D86-L101 HydrophobicContact CB-CB 3.94Å; D86-L101 HydrophobicContact CB-CD2 3.91Å; D86-L101 VanDerWaalsContact O-CB 3.31Å; D86-L101 WeakPolarHBondContact O-CB 3.17Å; D86-L101 PolarHBondContact O-N 3.37Å
87	E	74.3	Confident	74.8	Confident	120 Å²	120	66.1 Å²	66.1	56%	0.561	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.7	171.1	-62	-63.2	134.1	0	0	110.5	P85 R100	P85-E87 PolarHBondContact O-N 3.24Å; E87-R100 IonicContact OE1-CZ 3.98Å; E87-R100 IonicContact OE1-NE 3.08Å; E87-R100 PolarHBondContact OE1-NE 3.01Å; E87-R100 IonicContact OE1-NH2 2.78Å; E87-R100 PolarHBondContact OE1-NH2 3.19Å; E87-R100 IonicContact OE2-NE 3.98Å
88	G	67.7	Low	74.2	Confident	31 Å²	31	66.1 Å²	66.1	32%	0.32	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.4	164.6	-177.9	0	0	0	0	0	114.5	F90 N99	G88-F90 WeakPolarHBondContact O-CD2 3.25Å; G88-F90 VanDerWaalsContact O-CE2 3.23Å; G88-F90 WeakPolarHBondContact O-CE2 3.41Å; G88-F90 PolarHBondContact O-N 3.28Å; G88-N99 PolarHBondContact N-O 3.37Å; G88-N99 CarbonylContact O-C 3.6Å; G88-N99 WeakPolarHBondContact O-CA 3.27Å
89	S	70.4	Confident	73.7	Confident	123 Å²	123	65.7 Å²	65.7	86%	0.86	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	103.5	176	62.1	0	0	0	0	111.1
90	F	68.9	Low	73.4	Confident	42 Å²	42	68 Å²	68	18%	0.184	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.8	175.3	-54.4	-82.6	0	0	0	109.8	G88 S97 Y98 L101 F104	G88-F90 WeakPolarHBondContact O-CD2 3.25Å; G88-F90 VanDerWaalsContact O-CE2 3.23Å; G88-F90 WeakPolarHBondContact O-CE2 3.41Å; G88-F90 PolarHBondContact O-N 3.28Å; F90-S97 CarbonylContact O-C 3.27Å; F90-S97 VanDerWaalsContact O-CA 3.3Å; F90-S97 WeakPolarHBondContact O-CA 3.32Å; F90-Y98 PolarHBondContact N-O 3.17Å; F90-Y98 PolarHBondContact O-N 2.82Å; F90-L101 HydrophobicContact CD1-CD1 4.07Å; F90-L101 HydrophobicContact CD2-CB 4.44Å; F90-L101 HydrophobicContact CE1-CB 4.31Å; F90-L101 HydrophobicContact CE1-CD1 3.71Å; F90-L101 HydrophobicContact CE1-CG 4.48Å; F90-L101 HydrophobicContact CE2-CB 3.71Å; F90-L101 HydrophobicContact CE2-CD1 4.46Å; F90-L101 VanDerWaalsContact CE2-N 3.27Å; F90-L101 HydrophobicContact CZ-CB 3.64Å; F90-L101 HydrophobicContact CZ-CD1 3.94Å; F90-L101 HydrophobicContact CZ-CG 4.25Å; F90-F104 HydrophobicContact CB-CB 3.59Å; F90-F104 HydrophobicContact CB-CD1 4.08Å; F90-F104 HydrophobicContact CB-CD2 3.65Å; F90-F104 HydrophobicContact CB-CE2 4.35Å; F90-F104 HydrophobicContact CB-CG 3.48Å; F90-F104 VanDerWaalsContact CB-CG 3.48Å; F90-F104 HydrophobicContact CD1-CD1 4.32Å; F90-F104 HydrophobicContact CD2-CB 4.32Å; F90-F104 HydrophobicContact CG-CB 3.97Å; F90-F104 HydrophobicContact CG-CD1 4.32Å; F90-F104 HydrophobicContact CG-CG 4.08Å
91	S	67.4	Low	73	Confident	85 Å²	85	68.3 Å²	68.3	59%	0.594	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	129.4	179.6	64.3	0	0	0	0	111.7	D96	S91-D96 CarbonylContact C-O 3.11Å; S91-D96 WeakPolarHBondContact CA-O 3.5Å
92	C	72.5	Confident	72.8	Confident	6 Å²	6	64.5 Å²	64.5	4%	0.041	40%	0.396	C	S	.	.			trans	-82.5	146.7	176.2	159.9	0	0	0	0	111.3	C94 G95 D96 F104 H107 C111	C92-C94 HydrophobicContact CB-CB 4.46Å; C92-C94 WeakPolarHBondContact CB-SG 3.5Å; C92-C94 PolarHBondContact O-N 3.31Å; C92-C94 VanDerWaalsContact O-N 3.12Å; C92-C94 WeakPolarHBondContact SG-CB 3.26Å; C92-C94 PolarHBondContact SG-N 2.97Å; C92-C94 CovalentContact SG-SG 2.05Å; C92-C94 PolarHBondContact SG-SG 2.86Å; C92-G95 PolarHBondContact O-N 3.34Å; C92-D96 PolarHBondContact N-O 2.94Å; C92-F104 HydrophobicContact CB-CE2 4.26Å; C92-H107 WeakPolarHBondContact CB-NE2 3.4Å; C92-H107 PolarHBondContact SG-NE2 2.71Å; C92-C111 PolarHBondContact SG-SG 3.11Å
93	T	65.7	Low	72.6	Confident	75 Å²	75	62.8 Å²	62.8	46%	0.46	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-18.6	172.1	34	0	0	0	0	115.2	G95 V113 D117	T93-G95 VanDerWaalsContact C-N 3.29Å; T93-V113 PolarHBondContact OG1-O 3.18Å; T93-D117 VanDerWaalsContact CB-OD2 3.27Å; T93-D117 WeakPolarHBondContact CB-OD2 3.35Å; T93-D117 VanDerWaalsContact CG2-OD1 3.31Å; T93-D117 WeakPolarHBondContact CG2-OD1 3.36Å; T93-D117 WeakPolarHBondContact CG2-OD2 3.49Å; T93-D117 PolarHBondContact N-OD2 3.36Å; T93-D117 PolarHBondContact OG1-OD2 3.18Å
94	C	67.2	Low	72.7	Confident	51 Å²	51	59.4 Å²	59.4	35%	0.345	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.7	167.5	55.2	0	0	0	0	114	C92 H107 C111 V113	C92-C94 HydrophobicContact CB-CB 4.46Å; C92-C94 WeakPolarHBondContact CB-SG 3.5Å; C92-C94 PolarHBondContact O-N 3.31Å; C92-C94 VanDerWaalsContact O-N 3.12Å; C92-C94 WeakPolarHBondContact SG-CB 3.26Å; C92-C94 PolarHBondContact SG-N 2.97Å; C92-C94 CovalentContact SG-SG 2.05Å; C92-C94 PolarHBondContact SG-SG 2.86Å; C94-H107 PolarHBondContact SG-NE2 3.39Å; C94-C111 VanDerWaalsContact SG-SG 3.66Å; C94-V113 HydrophobicContact CB-CB 3.93Å; C94-V113 HydrophobicContact CB-CG1 4.37Å; C94-V113 HydrophobicContact CB-CG2 4.06Å
95	G	70.6	Confident	72.9	Confident	63 Å²	63	58.9 Å²	58.9	65%	0.649	36%	0.357	S	S	*	.	S	Bend	trans	118	-13.1	-177.4	0	0	0	0	0	115.2	C92 T93	C92-G95 PolarHBondContact O-N 3.34Å; T93-G95 VanDerWaalsContact C-N 3.29Å
96	D	71.8	Confident	73.1	Confident	80 Å²	80	61.6 Å²	61.6	43%	0.428	36%	0.358	S	S	.	.			trans	-75.6	145.6	179.4	-65.4	-40.2	0	0	0	112.1	S91 C92 Y98 H107	S91-D96 CarbonylContact C-O 3.11Å; S91-D96 WeakPolarHBondContact CA-O 3.5Å; C92-D96 PolarHBondContact N-O 2.94Å; D96-Y98 HydrophobicContact CB-CE2 3.82Å; D96-H107 IonicContact OD2-CE1 3.93Å; D96-H107 PolarHBondContact OD2-CE1 3.08Å; D96-H107 IonicContact OD2-ND1 3.14Å; D96-H107 IonicContact OD2-NE2 2.71Å
97	S	67.9	Low	73.5	Confident	95 Å²	95	58.6 Å²	58.6	66%	0.664	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.4	-178.6	62	0	0	0	0	112	F90	F90-S97 CarbonylContact O-C 3.27Å; F90-S97 VanDerWaalsContact O-CA 3.3Å; F90-S97 WeakPolarHBondContact O-CA 3.32Å
98	Y	71.3	Confident	73.6	Confident	59 Å²	59	55 Å²	55	23%	0.231	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148	-175.5	-62.4	-82.7	0	0	0	110.4	F90 D96 L103 F104 H107	F90-Y98 PolarHBondContact N-O 3.17Å; F90-Y98 PolarHBondContact O-N 2.82Å; D96-Y98 HydrophobicContact CB-CE2 3.82Å; Y98-L103 HydrophobicContact CD1-CB 3.8Å; Y98-L103 HydrophobicContact CG-CB 4.35Å; Y98-F104 HydrophobicContact CD2-CB 4.25Å; Y98-F104 HydrophobicContact CD2-CD2 4.1Å; Y98-F104 HydrophobicContact CG-CB 4.31Å; Y98-H107 HydrophobicContact CD2-CB 4.4Å; Y98-H107 HydrophobicContact CE1-CB 4.31Å; Y98-H107 HydrophobicContact CE2-CB 3.55Å; Y98-H107 AromaticContact CE2-CD2 3.76Å; Y98-H107 AromaticContact CE2-CG 3.46Å; Y98-H107 VanDerWaalsContact CE2-CG 3.46Å; Y98-H107 AromaticContact CE2-ND1 3.94Å; Y98-H107 AromaticContact CZ-CG 3.6Å; Y98-H107 AromaticContact CZ-ND1 3.78Å; Y98-H107 WeakPolarHBondContact OH-CB 3.08Å; Y98-H107 VanDerWaalsContact OH-CG 3.25Å; Y98-H107 PolarHBondContact OH-ND1 2.74Å
99	N	70.5	Confident	74	Confident	106 Å²	106	55.3 Å²	55.3	57%	0.567	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	-8.5	179.7	61.9	-37	0	0	0	114	G88	G88-N99 PolarHBondContact N-O 3.37Å; G88-N99 CarbonylContact O-C 3.6Å; G88-N99 WeakPolarHBondContact O-CA 3.27Å
100	R	78.9	Confident	74.2	Confident	62 Å²	62	52.7 Å²	52.7	23%	0.234	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.2	176.1	-43.7	-172.3	69.1	-139.7	-4.8	110	E81 E87 L103 F104	E81-R100 VanDerWaalsContact CD-NH1 3.32Å; E81-R100 IonicContact OE1-CZ 3.98Å; E81-R100 IonicContact OE1-NH1 3.3Å; E81-R100 PolarHBondContact OE1-NH1 2.74Å; E81-R100 IonicContact OE1-NH2 3.43Å; E81-R100 PolarHBondContact OE1-NH2 3.12Å; E81-R100 IonicContact OE2-CZ 3.21Å; E81-R100 IonicContact OE2-NH1 2.74Å; E81-R100 PolarHBondContact OE2-NH1 3.41Å; E81-R100 VanDerWaalsContact OE2-NH1 3.08Å; E87-R100 IonicContact OE1-CZ 3.98Å; E87-R100 IonicContact OE1-NE 3.08Å; E87-R100 PolarHBondContact OE1-NE 3.01Å; E87-R100 IonicContact OE1-NH2 2.78Å; E87-R100 PolarHBondContact OE1-NH2 3.19Å; E87-R100 IonicContact OE2-NE 3.98Å; R100-L103 HydrophobicContact CB-CB 4.38Å; R100-L103 HydrophobicContact CB-CD1 4.07Å; R100-L103 HydrophobicContact CB-CG 4.09Å; R100-L103 HydrophobicContact CG-CD1 3.89Å; R100-L103 HydrophobicContact CG-CG 4.4Å; R100-L103 PolarHBondContact O-N 2.92Å; R100-F104 PolarHBondContact O-N 3.33Å; R100-F104 VanDerWaalsContact O-N 3.13Å
101	L	75	Confident	74.4	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-44.2	176.5	-177.8	57.3	0	0	0	112.2	H84 D86 F90 L103 F104 L105	H84-L101 HydrophobicContact CB-CD2 3.92Å; H84-L101 HydrophobicContact CB-CG 4.34Å; D86-L101 HydrophobicContact CB-CB 3.94Å; D86-L101 HydrophobicContact CB-CD2 3.91Å; D86-L101 VanDerWaalsContact O-CB 3.31Å; D86-L101 WeakPolarHBondContact O-CB 3.17Å; D86-L101 PolarHBondContact O-N 3.37Å; F90-L101 HydrophobicContact CD1-CD1 4.07Å; F90-L101 HydrophobicContact CD2-CB 4.44Å; F90-L101 HydrophobicContact CE1-CB 4.31Å; F90-L101 HydrophobicContact CE1-CD1 3.71Å; F90-L101 HydrophobicContact CE1-CG 4.48Å; F90-L101 HydrophobicContact CE2-CB 3.71Å; F90-L101 HydrophobicContact CE2-CD1 4.46Å; F90-L101 VanDerWaalsContact CE2-N 3.27Å; F90-L101 HydrophobicContact CZ-CB 3.64Å; F90-L101 HydrophobicContact CZ-CD1 3.94Å; F90-L101 HydrophobicContact CZ-CG 4.25Å; L101-L103 VanDerWaalsContact C-N 3.27Å; L101-L103 PolarHBondContact O-N 2.86Å; L101-F104 HydrophobicContact CD1-CD1 4.12Å; L101-F104 WeakPolarHBondContact O-CB 3.31Å; L101-F104 PolarHBondContact O-N 2.88Å; L101-F104 VanDerWaalsContact O-N 3.11Å; L101-L105 HydrophobicContact CD1-CD1 4.04Å; L101-L105 HydrophobicContact CD1-CD2 4Å; L101-L105 HydrophobicContact CD1-CG 3.72Å; L101-L105 HydrophobicContact CD2-CD1 4.5Å; L101-L105 HydrophobicContact CG-CD1 3.86Å; L101-L105 HydrophobicContact CG-CG 4.02Å; L101-L105 WeakPolarHBondContact O-CG 3.28Å; L101-L105 PolarHBondContact O-N 3.02Å
102	P	80.5	Confident	74.3	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-36.4	177.8	-25.8	36.3	0	0	0	113.4	F80 H84 R106	F80-P102 HydrophobicContact CB-CB 4.01Å; H84-P102 VanDerWaalsContact O-CD 3.28Å; H84-P102 WeakPolarHBondContact O-CD 3.17Å; H84-P102 VanDerWaalsContact O-CG 3.3Å; H84-P102 WeakPolarHBondContact O-CG 3.3Å; P102-R106 WeakPolarHBondContact O-CB 3.43Å; P102-R106 PolarHBondContact O-N 3.09Å
103	L	78.6	Confident	73.9	Confident	52 Å²	52	56.3 Å²	56.3	27%	0.272	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-40.4	176.9	-64	178.1	0	0	0	112	Y98 R100 L101 H107	Y98-L103 HydrophobicContact CD1-CB 3.8Å; Y98-L103 HydrophobicContact CG-CB 4.35Å; R100-L103 HydrophobicContact CB-CB 4.38Å; R100-L103 HydrophobicContact CB-CD1 4.07Å; R100-L103 HydrophobicContact CB-CG 4.09Å; R100-L103 HydrophobicContact CG-CD1 3.89Å; R100-L103 HydrophobicContact CG-CG 4.4Å; R100-L103 PolarHBondContact O-N 2.92Å; L101-L103 VanDerWaalsContact C-N 3.27Å; L101-L103 PolarHBondContact O-N 2.86Å; L103-H107 PolarHBondContact O-N 3.3Å; L103-H107 VanDerWaalsContact O-N 3.13Å
104	F	79.6	Confident	73.6	Confident	10 Å²	10	52.7 Å²	52.7	4%	0.044	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-47.4	173.1	173.2	-107	0	0	0	111.9	F90 C92 Y98 R100 L101 R106 H107 Y108 L118	F90-F104 HydrophobicContact CB-CB 3.59Å; F90-F104 HydrophobicContact CB-CD1 4.08Å; F90-F104 HydrophobicContact CB-CD2 3.65Å; F90-F104 HydrophobicContact CB-CE2 4.35Å; F90-F104 HydrophobicContact CB-CG 3.48Å; F90-F104 VanDerWaalsContact CB-CG 3.48Å; F90-F104 HydrophobicContact CD1-CD1 4.32Å; F90-F104 HydrophobicContact CD2-CB 4.32Å; F90-F104 HydrophobicContact CG-CB 3.97Å; F90-F104 HydrophobicContact CG-CD1 4.32Å; F90-F104 HydrophobicContact CG-CG 4.08Å; C92-F104 HydrophobicContact CB-CE2 4.26Å; Y98-F104 HydrophobicContact CD2-CB 4.25Å; Y98-F104 HydrophobicContact CD2-CD2 4.1Å; Y98-F104 HydrophobicContact CG-CB 4.31Å; R100-F104 PolarHBondContact O-N 3.33Å; R100-F104 VanDerWaalsContact O-N 3.13Å; L101-F104 HydrophobicContact CD1-CD1 4.12Å; L101-F104 WeakPolarHBondContact O-CB 3.31Å; L101-F104 PolarHBondContact O-N 2.88Å; L101-F104 VanDerWaalsContact O-N 3.11Å; F104-R106 VanDerWaalsContact C-N 3.35Å; F104-R106 PolarHBondContact O-N 2.85Å; F104-H107 CarbonylContact O-C 3.53Å; F104-H107 PolarHBondContact O-N 2.8Å; F104-Y108 HydrophobicContact CE1-CD2 4.4Å; F104-Y108 HydrophobicContact CZ-CD2 4.16Å; F104-Y108 WeakPolarHBondContact O-CB 3.08Å; F104-Y108 PolarHBondContact O-N 3.44Å; F104-L118 HydrophobicContact CE1-CD2 4.46Å
105	L	81.2	Confident	72.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-39.4	-179.6	-66.2	179.6	0	0	0	111.7	P64 E65 F80 H84 L101 Y108 V109 L118	P64-L105 HydrophobicContact CG-CD2 3.84Å; E65-L105 HydrophobicContact CG-CD1 4.13Å; E65-L105 HydrophobicContact CG-CD2 4.03Å; F80-L105 HydrophobicContact CD1-CD1 3.93Å; F80-L105 HydrophobicContact CD2-CB 3.47Å; F80-L105 VanDerWaalsContact CD2-CB 3.47Å; F80-L105 HydrophobicContact CD2-CD1 4.22Å; F80-L105 HydrophobicContact CE1-CB 4.39Å; F80-L105 HydrophobicContact CE1-CD1 4.16Å; F80-L105 HydrophobicContact CE2-CB 3.29Å; F80-L105 HydrophobicContact CE2-CD1 4.41Å; F80-L105 HydrophobicContact CE2-CG 4.46Å; F80-L105 HydrophobicContact CG-CB 4.11Å; F80-L105 HydrophobicContact CG-CD1 3.98Å; F80-L105 HydrophobicContact CZ-CB 3.81Å; F80-L105 HydrophobicContact CZ-CD1 4.39Å; H84-L105 HydrophobicContact CB-CD1 4.17Å; L101-L105 HydrophobicContact CD1-CD1 4.04Å; L101-L105 HydrophobicContact CD1-CD2 4Å; L101-L105 HydrophobicContact CD1-CG 3.72Å; L101-L105 HydrophobicContact CD2-CD1 4.5Å; L101-L105 HydrophobicContact CG-CD1 3.86Å; L101-L105 HydrophobicContact CG-CG 4.02Å; L101-L105 WeakPolarHBondContact O-CG 3.28Å; L101-L105 PolarHBondContact O-N 3.02Å; L105-Y108 PolarHBondContact O-N 2.77Å; L105-V109 WeakPolarHBondContact O-CG2 3.4Å; L105-V109 PolarHBondContact O-N 2.78Å; L105-L118 HydrophobicContact CD2-CD1 3.92Å
106	R	82.9	Confident	71.8	Confident	126 Å²	126	54.5 Å²	54.5	48%	0.475	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-48.1	172.3	-171.7	179.4	70.1	170.9	2.3	111.3	W77 P102 F104 D110	W77-R106 HydrophobicContact CD2-CG 4.18Å; W77-R106 HydrophobicContact CE3-CB 4.34Å; W77-R106 HydrophobicContact CE3-CG 4.19Å; W77-R106 HydrophobicContact CH2-CB 4.35Å; W77-R106 HydrophobicContact CH2-CG 3.78Å; W77-R106 HydrophobicContact CZ2-CG 3.79Å; W77-R106 HydrophobicContact CZ3-CB 4.16Å; W77-R106 HydrophobicContact CZ3-CG 4.02Å; P102-R106 WeakPolarHBondContact O-CB 3.43Å; P102-R106 PolarHBondContact O-N 3.09Å; F104-R106 VanDerWaalsContact C-N 3.35Å; F104-R106 PolarHBondContact O-N 2.85Å; R106-D110 PolarHBondContact O-N 3.03Å
107	H	80.9	Confident	70.4	Confident	29 Å²	29	52.6 Å²	52.6	13%	0.134	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-43	175.1	170.8	90.9	0	0	0	112.4	C92 C94 D96 Y98 L103 F104 V109 D110 C111	C92-H107 WeakPolarHBondContact CB-NE2 3.4Å; C92-H107 PolarHBondContact SG-NE2 2.71Å; C94-H107 PolarHBondContact SG-NE2 3.39Å; D96-H107 IonicContact OD2-CE1 3.93Å; D96-H107 PolarHBondContact OD2-CE1 3.08Å; D96-H107 IonicContact OD2-ND1 3.14Å; D96-H107 IonicContact OD2-NE2 2.71Å; Y98-H107 HydrophobicContact CD2-CB 4.4Å; Y98-H107 HydrophobicContact CE1-CB 4.31Å; Y98-H107 HydrophobicContact CE2-CB 3.55Å; Y98-H107 AromaticContact CE2-CD2 3.76Å; Y98-H107 AromaticContact CE2-CG 3.46Å; Y98-H107 VanDerWaalsContact CE2-CG 3.46Å; Y98-H107 AromaticContact CE2-ND1 3.94Å; Y98-H107 AromaticContact CZ-CG 3.6Å; Y98-H107 AromaticContact CZ-ND1 3.78Å; Y98-H107 WeakPolarHBondContact OH-CB 3.08Å; Y98-H107 VanDerWaalsContact OH-CG 3.25Å; Y98-H107 PolarHBondContact OH-ND1 2.74Å; L103-H107 PolarHBondContact O-N 3.3Å; L103-H107 VanDerWaalsContact O-N 3.13Å; F104-H107 CarbonylContact O-C 3.53Å; F104-H107 PolarHBondContact O-N 2.8Å; H107-V109 VanDerWaalsContact C-N 3.28Å; H107-V109 PolarHBondContact O-N 3.1Å; H107-D110 CarbonylContact O-C 3.47Å; H107-D110 PolarHBondContact O-N 3.29Å; H107-D110 VanDerWaalsContact O-N 3.09Å; H107-C111 VanDerWaalsContact NE2-CB 3.34Å; H107-C111 WeakPolarHBondContact NE2-CB 3.49Å; H107-C111 PolarHBondContact NE2-SG 3.08Å; H107-C111 WeakPolarHBondContact O-CB 3.41Å; H107-C111 PolarHBondContact O-N 2.8Å
108	Y	75.6	Confident	69.2	Low	44 Å²	44	50 Å²	50	17%	0.173	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-43.2	-179.8	178	-83.7	0	0	0	111.8	P64 F104 L105 D110 A114 D117 L118	P64-Y108 HydrophobicContact CB-CD1 4.41Å; P64-Y108 HydrophobicContact CB-CE1 3.97Å; P64-Y108 HydrophobicContact CG-CD1 4.05Å; P64-Y108 HydrophobicContact CG-CE1 4.12Å; F104-Y108 HydrophobicContact CE1-CD2 4.4Å; F104-Y108 HydrophobicContact CZ-CD2 4.16Å; F104-Y108 WeakPolarHBondContact O-CB 3.08Å; F104-Y108 PolarHBondContact O-N 3.44Å; L105-Y108 PolarHBondContact O-N 2.77Å; Y108-D110 VanDerWaalsContact C-N 3.29Å; Y108-D110 PolarHBondContact O-N 2.82Å; Y108-A114 HydrophobicContact CD2-CB 3.81Å; Y108-A114 HydrophobicContact CE2-CB 4.25Å; Y108-A114 WeakPolarHBondContact CE2-O 3.24Å; Y108-A114 HydrophobicContact CG-CB 4.31Å; Y108-D117 HydrophobicContact CE2-CB 4.32Å; Y108-L118 HydrophobicContact CD1-CD1 4.06Å; Y108-L118 HydrophobicContact CD2-CD1 3.97Å; Y108-L118 HydrophobicContact CD2-CG 4.25Å; Y108-L118 HydrophobicContact CE1-CD1 3.88Å; Y108-L118 HydrophobicContact CE2-CB 4.19Å; Y108-L118 HydrophobicContact CE2-CD1 3.78Å; Y108-L118 HydrophobicContact CE2-CG 3.79Å; Y108-L118 HydrophobicContact CG-CD1 4.12Å
109	V	77	Confident	67.4	Low	38 Å²	38	53 Å²	53	23%	0.23	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-28.3	179.1	165.5	0	0	0	0	112.8	L76 W77 F80 L105 H107	L76-V109 HydrophobicContact CD2-CG2 4.36Å; W77-V109 HydrophobicContact CH2-CB 3.98Å; W77-V109 HydrophobicContact CH2-CG1 3.71Å; W77-V109 HydrophobicContact CZ3-CB 4.16Å; W77-V109 HydrophobicContact CZ3-CG1 4.15Å; W77-V109 HydrophobicContact CZ3-CG2 4.34Å; F80-V109 HydrophobicContact CE2-CG2 4.43Å; F80-V109 HydrophobicContact CZ-CG2 4.2Å; L105-V109 WeakPolarHBondContact O-CG2 3.4Å; L105-V109 PolarHBondContact O-N 2.78Å; H107-V109 VanDerWaalsContact C-N 3.28Å; H107-V109 PolarHBondContact O-N 3.1Å
110	D	74.9	Confident	65.6	Low	68 Å²	68	52.6 Å²	52.6	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-103.6	-10.1	-178.8	-65.8	-33.3	0	0	0	113.9	N44 R61 R106 H107 Y108	N44-D110 PolarHBondContact ND2-O 3.08Å; R61-D110 IonicContact CZ-OD1 2.65Å; R61-D110 IonicContact NH1-OD1 3.79Å; R61-D110 PolarHBondContact NH1-OD1 3.38Å; R106-D110 PolarHBondContact O-N 3.03Å; H107-D110 CarbonylContact O-C 3.47Å; H107-D110 PolarHBondContact O-N 3.29Å; H107-D110 VanDerWaalsContact O-N 3.09Å; Y108-D110 VanDerWaalsContact C-N 3.29Å; Y108-D110 PolarHBondContact O-N 2.82Å
111	C	71.9	Confident	63.5	Low	14 Å²	14	55.5 Å²	55.5	10%	0.095	31%	0.307	C	S	.	.			trans	-86.2	123	-171.5	179.5	0	0	0	0	113.4	C92 C94 H107 V113 A114	C92-C111 PolarHBondContact SG-SG 3.11Å; C94-C111 VanDerWaalsContact SG-SG 3.66Å; H107-C111 VanDerWaalsContact NE2-CB 3.34Å; H107-C111 WeakPolarHBondContact NE2-CB 3.49Å; H107-C111 PolarHBondContact NE2-SG 3.08Å; H107-C111 WeakPolarHBondContact O-CB 3.41Å; H107-C111 PolarHBondContact O-N 2.8Å; C111-V113 PolarHBondContact O-N 2.91Å; C111-A114 HydrophobicContact CB-CB 3.72Å; C111-A114 PolarHBondContact O-N 3.03Å
112	P	65.4	Low	61.6	Low	117 Å²	117	65.7 Å²	65.7	76%	0.76	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.4	-177.1	30.4	-36.9	0	0	0	114.6
113	V	64.4	Low	59.4	Low	77 Å²	77	74.1 Å²	74.1	47%	0.467	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-26.2	179.3	-171.6	0	0	0	0	112.1	T93 C94 C111 S115	T93-V113 PolarHBondContact OG1-O 3.18Å; C94-V113 HydrophobicContact CB-CB 3.93Å; C94-V113 HydrophobicContact CB-CG1 4.37Å; C94-V113 HydrophobicContact CB-CG2 4.06Å; C111-V113 PolarHBondContact O-N 2.91Å; V113-S115 PolarHBondContact O-N 2.98Å; V113-S115 VanDerWaalsContact O-N 3.08Å
114	A	59.3	Low	57.2	Low	0 Å²	0	77 Å²	77	0%	0	39%	0.391	C	S	.	.			trans	-73.5	-4.1	-161.9	0	0	0	0	0	115.6	Y108 C111 T116 D117	Y108-A114 HydrophobicContact CD2-CB 3.81Å; Y108-A114 HydrophobicContact CE2-CB 4.25Å; Y108-A114 WeakPolarHBondContact CE2-O 3.24Å; Y108-A114 HydrophobicContact CG-CB 4.31Å; C111-A114 HydrophobicContact CB-CB 3.72Å; C111-A114 PolarHBondContact O-N 3.03Å; A114-T116 PolarHBondContact O-N 3.19Å; A114-D117 PolarHBondContact O-N 3.01Å
115	S	48.6	Very low	54.8	Low	95 Å²	95	86 Å²	86	66%	0.664	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	23	-168.7	-36.5	0	0	0	0	116.5	V113	V113-S115 PolarHBondContact O-N 2.98Å; V113-S115 VanDerWaalsContact O-N 3.08Å
116	T	50.7	Low	52.5	Low	57 Å²	57	90.7 Å²	90.7	35%	0.35	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	7.1	174.4	69.6	0	0	0	0	115.4	A114 Y161	A114-T116 PolarHBondContact O-N 3.19Å; T116-Y161 VanDerWaalsContact CB-OH 3.22Å; T116-Y161 WeakPolarHBondContact CB-OH 3.27Å; T116-Y161 PolarHBondContact OG1-OH 3.01Å
117	D	44.3	Very low	50	Low	40 Å²	40	90.5 Å²	90.5	21%	0.214	49%	0.487	C	S	.	.	S	Bend	trans	-103.5	10.7	-167.4	-63.9	-23	0	0	0	115.1	T93 Y108 A114	T93-D117 VanDerWaalsContact CB-OD2 3.27Å; T93-D117 WeakPolarHBondContact CB-OD2 3.35Å; T93-D117 VanDerWaalsContact CG2-OD1 3.31Å; T93-D117 WeakPolarHBondContact CG2-OD1 3.36Å; T93-D117 WeakPolarHBondContact CG2-OD2 3.49Å; T93-D117 PolarHBondContact N-OD2 3.36Å; T93-D117 PolarHBondContact OG1-OD2 3.18Å; Y108-D117 HydrophobicContact CE2-CB 4.32Å; A114-D117 PolarHBondContact O-N 3.01Å
118	L	41.3	Very low	47.8	Very low	41 Å²	41	96 Å²	96	22%	0.215	52%	0.516	C	S	.	.			trans	-126.4	72.7	174.7	-72.8	175	0	0	0	113	P64 E65 F104 L105 Y108	P64-L118 HydrophobicContact CB-CD1 3.45Å; P64-L118 VanDerWaalsContact CB-CD1 3.45Å; P64-L118 HydrophobicContact CG-CD1 3.36Å; E65-L118 VanDerWaalsContact OE1-CD2 3.29Å; E65-L118 WeakPolarHBondContact OE1-CD2 3.23Å; F104-L118 HydrophobicContact CE1-CD2 4.46Å; L105-L118 HydrophobicContact CD2-CD1 3.92Å; Y108-L118 HydrophobicContact CD1-CD1 4.06Å; Y108-L118 HydrophobicContact CD2-CD1 3.97Å; Y108-L118 HydrophobicContact CD2-CG 4.25Å; Y108-L118 HydrophobicContact CE1-CD1 3.88Å; Y108-L118 HydrophobicContact CE2-CB 4.19Å; Y108-L118 HydrophobicContact CE2-CD1 3.78Å; Y108-L118 HydrophobicContact CE2-CG 3.79Å; Y108-L118 HydrophobicContact CG-CD1 4.12Å
119	E	33.5	Very low	45.8	Very low	121 Å²	121	102.4 Å²	102.4	57%	0.565	55%	0.545	S	S	*	.			trans	-138.5	75.7	158	-77	-164.2	137.2	0	0	110.5	S164	E119-S164 WeakPolarHBondContact OE2-CA 3.44Å; E119-S164 WeakPolarHBondContact OE2-CB 3.29Å; E119-S164 PolarHBondContact OE2-OG 3.41Å
120	D	32.8	Very low	43.8	Very low	97 Å²	97	108 Å²	108	52%	0.519	57%	0.574	S	S	.	*			trans	-126.1	82.4	157.1	-155.8	-9.2	0	0	0	111	R122	D120-R122 PolarHBondContact O-N 2.59Å
121	P	34.5	Very low	41.6	Very low	124 Å²	124	107.8 Å²	107.8	81%	0.805	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	24.7	-175.9	-21.5	34.8	0	0	0	115.7
122	R	36.1	Very low	39.7	Very low	221 Å²	221	117.8 Å²	117.8	83%	0.834	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	0.2	-176.2	-59.8	-165.2	-172.5	-140.2	0.8	114.7	D120	D120-R122 PolarHBondContact O-N 2.59Å
123	R	34.6	Very low	38.1	Very low	186 Å²	186	122.3 Å²	122.3	70%	0.702	63%	0.625	S	S	*	*	S	Bend	trans	-89.9	-15.1	177.9	-81.8	-170.8	170.3	-134.6	-0.3	115.3	F125	R123-F125 PolarHBondContact O-N 3.08Å
124	N	32.5	Very low	36.4	Very low	111 Å²	111	125.9 Å²	125.9	59%	0.594	64%	0.64	S	S	*	*	S	Bend	trans	-88.7	108.5	176.2	-88.6	-52.4	0	0	0	113.2
125	F	29.3	Very low	34.8	Very low	201 Å²	201	132.8 Å²	132.8	88%	0.882	68%	0.676	S	S	*	*			trans	-6.7	115.6	153.6	-85.6	-108.4	0	0	0	117.5	R123	R123-F125 PolarHBondContact O-N 3.08Å
126	A	32.9	Very low	33.8	Very low	98 Å²	98	134 Å²	134	81%	0.81	68%	0.682	S	S	*	*			trans	-157.4	59.2	148.9	0	0	0	0	0	111.2	L128	A126-L128 PolarHBondContact O-N 3.01Å
127	S	30.2	Very low	32.9	Very low	121 Å²	121	136.1 Å²	136.1	85%	0.846	70%	0.699	S	S	*	*			trans	-76.9	71.8	169	176.6	0	0	0	0	110.7
128	L	34.1	Very low	32.2	Very low	145 Å²	145	142 Å²	142	76%	0.759	73%	0.729	S	S	*	*			trans	-161.4	137.2	165.3	-144.9	73	0	0	0	112.6	A126	A126-L128 PolarHBondContact O-N 3.01Å
129	K	33	Very low	31.6	Very low	178 Å²	178	147 Å²	147	77%	0.774	75%	0.754	S	S	*	*			trans	68.2	119.7	174.1	-50.5	-176.8	-176.9	-179	0	113.7
130	D	34.8	Very low	31.4	Very low	157 Å²	157	149.6 Å²	149.6	84%	0.84	77%	0.767	S	S	*	*			cis	-152	151	18	-98	-45.2	0	0	0	114.9
131	G	29.2	Very low	31.2	Very low	62 Å²	62	149.5 Å²	149.5	64%	0.639	77%	0.773	S	S	*	*			trans	28.9	102.5	153.3	0	0	0	0	0	121.3
132	R	31.8	Very low	31	Very low	225 Å²	225	150 Å²	150	85%	0.849	78%	0.775	S	S	*	*				177.2	134.8	89.9	-90.1	166.9	-152.2	-142.5	6.2	112.9
133	R	31.5	Very low	30.7	Very low	212 Å²	212	144.7 Å²	144.7	80%	0.8	77%	0.77	S	S	*	*			trans	67.1	81.2	160.5	-64.5	-172.3	-91.8	-151.4	-1	115.6
134	I	29.9	Very low	30.7	Very low	152 Å²	152	143.8 Å²	143.8	78%	0.779	78%	0.779	S	S	*	*				87.5	103.2	82.2	-73	163.7	0	0	0	111.1
135	L	24.5	Very low	30.8	Very low	145 Å²	145	142.6 Å²	142.6	76%	0.759	79%	0.793	S	S	*	*			trans	-65.6	156	154.2	-103.7	74.2	0	0	0	109.2
136	P	28.8	Very low	30.9	Very low	120 Å²	120	136.7 Å²	136.7	78%	0.779	79%	0.789	S	S	*	*				-119.6	126.7	122.4	-6.1	25.6	0	0	0	112.2
137	S	32.1	Very low	31.1	Very low	102 Å²	102	138.5 Å²	138.5	71%	0.713	79%	0.789	S	S	*	*			trans	-65	143.4	162.9	-59.6	0	0	0	0	110.3	L139	S137-L139 PolarHBondContact O-N 3.28Å
138	I	29	Very low	31.5	Very low	163 Å²	163	139.7 Å²	139.7	84%	0.836	79%	0.791	S	S	*	*	S	Bend	trans	-62.9	114.1	169.3	-63.4	162.7	0	0	0	108.6
139	L	28.9	Very low	31.5	Very low	145 Å²	145	136 Å²	136	76%	0.759	79%	0.789	S	S	*	*			trans	157.6	73.7	148.9	-87.4	157	0	0	0	112.4	S137	S137-L139 PolarHBondContact O-N 3.28Å
140	H	28.6	Very low	31.4	Very low	177 Å²	177	133.8 Å²	133.8	82%	0.819	79%	0.79	S	S	*	*	S	Bend		174.1	144.7	122.2	-94.3	105.8	0	0	0	112.4
141	S	29.7	Very low	31.5	Very low	95 Å²	95	136 Å²	136	66%	0.664	79%	0.792	S	S	*	*			trans	47.6	107.4	160	57.4	0	0	0	0	120.8
142	T	29.2	Very low	31.6	Very low	135 Å²	135	141.6 Å²	141.6	83%	0.828	81%	0.806	S	S	*	*			trans	80.7	134.6	135.8	53.9	0	0	0	0	122.4
143	C	30.4	Very low	31.6	Very low	109 Å²	109	134.3 Å²	134.3	74%	0.736	80%	0.801	S	S	*	*			trans	62.3	96.8	164.4	61.6	0	0	0	0	122.2
144	D	33.7	Very low	31.5	Very low	166 Å²	166	132.1 Å²	132.1	89%	0.888	80%	0.8	S	S	*	*				74	107.3	128.4	-59.8	-47.2	0	0	0	124.8
145	G	34.7	Very low	31.6	Very low	87 Å²	87	130.5 Å²	130.5	90%	0.897	80%	0.799	S	S	*	*				114.5	112.9	128.6	0	0	0	0	0	120.4
146	G	32.5	Very low	31.8	Very low	76 Å²	76	131.6 Å²	131.6	78%	0.784	81%	0.806	S	S	*	*			trans	136.5	48.4	147.1	0	0	0	0	0	125.1
147	V	36.9	Very low	31.8	Very low	136 Å²	136	129.4 Å²	129.4	82%	0.824	79%	0.79	S	S	*	*			trans	60.8	107.3	137	-178.6	0	0	0	0	123.3
148	V	38	Very low	31.8	Very low	147 Å²	147	130.5 Å²	130.5	89%	0.891	78%	0.779	S	S	*	*			trans	63	140.5	133.4	-177.4	0	0	0	0	121.2
149	G	34.5	Very low	32	Very low	68 Å²	68	129 Å²	129	70%	0.701	77%	0.769	S	S	*	*			cis	177.8	176.3	2.1	0	0	0	0	0	114.4
150	T	31.8	Very low	32.3	Very low	131 Å²	131	126.4 Å²	126.4	80%	0.804	76%	0.76	S	S	*	*			trans	-110.6	167.4	-161	53.5	0	0	0	0	116.5
151	K	36.1	Very low	32.8	Very low	204 Å²	204	121.1 Å²	121.1	89%	0.887	73%	0.734	S	S	*	*				175.1	159.9	120.3	-94.8	174.9	-173.9	-173.5	0	117.4
152	L	30.8	Very low	33.4	Very low	179 Å²	179	125.7 Å²	125.7	94%	0.937	74%	0.736	S	S	*	*			trans	-85.4	166.1	-173.7	-71.7	131.3	0	0	0	115.5
153	G	32.7	Very low	34.4	Very low	71 Å²	71	120.5 Å²	120.5	73%	0.732	70%	0.703	S	S	*	*			trans	126.4	84	150	0	0	0	0	0	116.6
154	Q	29.5	Very low	35.2	Very low	167 Å²	167	118.7 Å²	118.7	78%	0.78	69%	0.691	S	S	*	*			trans	-108.6	121.4	174.6	-79	-171.8	-32.8	0	0	112.9	V157	Q154-V157 HydrophobicContact CB-CG2 4.4Å
155	P	31.2	Very low	36.2	Very low	117 Å²	117	116.2 Å²	116.2	76%	0.76	68%	0.683	S	S	*	*			trans	-91.4	127.7	162	32	-26.8	0	0	0	111.3
156	N	28.2	Very low	37.1	Very low	169 Å²	169	113.8 Å²	113.8	90%	0.904	65%	0.65	S	S	*	*			trans	43.4	82	163.9	-124.1	-32	0	0	0	116.7	Y158	N156-Y158 PolarHBondContact O-N 3.23Å
157	V	30.1	Very low	38.5	Very low	73 Å²	73	115.1 Å²	115.1	44%	0.442	65%	0.647	S	S	.	*			trans	-74.4	121.3	-179.5	178	0	0	0	0	111.4	Q154 H159	Q154-V157 HydrophobicContact CB-CG2 4.4Å; V157-H159 PolarHBondContact O-N 2.86Å; V157-H159 VanDerWaalsContact O-N 3.16Å
158	Y	30.7	Very low	39.9	Very low	126 Å²	126	110.8 Å²	110.8	49%	0.494	62%	0.623	S	S	.	*			trans	-68.2	105.1	167.9	176.3	-99.4	0	0	0	110.1	N156 P160 Y221	N156-Y158 PolarHBondContact O-N 3.23Å; Y158-P160 HydrophobicContact CE1-CB 4.47Å; Y158-P160 WeakPolarHBondContact O-CD 3.4Å; Y158-Y221 HydrophobicContact CE2-CD2 4.14Å; Y158-Y221 HydrophobicContact CE2-CE2 4.14Å
159	H	32.9	Very low	41.5	Very low	131 Å²	131	105.2 Å²	105.2	61%	0.606	59%	0.593	S	S	*	*			trans	-74.2	119.4	169.9	-81.1	-89.5	0	0	0	110	V157 Y161	V157-H159 PolarHBondContact O-N 2.86Å; V157-H159 VanDerWaalsContact O-N 3.16Å; H159-Y161 PolarHBondContact O-N 2.71Å
160	P	36.7	Very low	43.5	Very low	91 Å²	91	108 Å²	108	59%	0.591	60%	0.598	S	S	*	*			trans	-72.1	125.6	179.1	-14.9	30.1	0	0	0	110.7	Y158 R162	Y158-P160 HydrophobicContact CE1-CB 4.47Å; Y158-P160 WeakPolarHBondContact O-CD 3.4Å; P160-R162 PolarHBondContact O-N 2.9Å
161	Y	37.8	Very low	45.5	Very low	65 Å²	65	102.8 Å²	102.8	26%	0.255	57%	0.57	S	S	.	*			trans	-62.3	99.8	167.6	-178	-98.1	0	0	0	109.4	T116 H159 Q163 R204	T116-Y161 VanDerWaalsContact CB-OH 3.22Å; T116-Y161 WeakPolarHBondContact CB-OH 3.27Å; T116-Y161 PolarHBondContact OG1-OH 3.01Å; H159-Y161 PolarHBondContact O-N 2.71Å; Y161-Q163 HydrophobicContact CD1-CG 4.41Å; Y161-Q163 HydrophobicContact CE1-CG 4.11Å; Y161-R204 PolarHBondContact OH-NH1 3.04Å
162	R	43.6	Very low	47.3	Very low	191 Å²	191	97.2 Å²	97.2	72%	0.721	56%	0.555	S	S	*	*			trans	-81	130.5	170.2	-72.5	-172.8	-177.5	-112.9	3.7	108.5	P160	P160-R162 PolarHBondContact O-N 2.9Å
163	Q	50.1	Low	49.4	Very low	26 Å²	26	91.5 Å²	91.5	12%	0.121	53%	0.53	C	S	.	.			trans	-75.2	149.6	164.1	-60	-172.2	-41	0	0	108.6	Y161 T165 H198	Y161-Q163 HydrophobicContact CD1-CG 4.41Å; Y161-Q163 HydrophobicContact CE1-CG 4.11Å; Q163-T165 PolarHBondContact O-N 3.24Å; Q163-H198 PolarHBondContact NE2-ND1 3.15Å
164	S	47.3	Very low	51.3	Low	71 Å²	71	91.9 Å²	91.9	50%	0.497	53%	0.534	S	S	.	.	S	Bend	trans	-45.4	132.9	175.5	-48.2	0	0	0	0	110.7	E119 V166	E119-S164 WeakPolarHBondContact OE2-CA 3.44Å; E119-S164 WeakPolarHBondContact OE2-CB 3.29Å; E119-S164 PolarHBondContact OE2-OG 3.41Å; S164-V166 WeakPolarHBondContact O-CG2 3.24Å; S164-V166 PolarHBondContact O-N 2.77Å
165	T	53.3	Low	53.8	Low	115 Å²	115	90.4 Å²	90.4	71%	0.706	53%	0.531	S	S	*	.			trans	-60.3	99.7	-163.5	50.2	0	0	0	0	111.8	Q163 S167	Q163-T165 PolarHBondContact O-N 3.24Å; T165-S167 PolarHBondContact O-N 3.02Å; T165-S167 VanDerWaalsContact O-N 3.15Å
166	V	55.5	Low	56.3	Low	36 Å²	36	89.3 Å²	89.3	22%	0.218	52%	0.515	C	S	.	.			trans	-66	119.6	-176.6	-178	0	0	0	0	109.9	S164 S168 P181 M197	S164-V166 WeakPolarHBondContact O-CG2 3.24Å; S164-V166 PolarHBondContact O-N 2.77Å; V166-S168 PolarHBondContact O-N 3.22Å; V166-S168 VanDerWaalsContact O-N 3.08Å; V166-P181 HydrophobicContact CG1-CG 3.56Å; V166-M197 HydrophobicContact CB-CG 4.19Å; V166-M197 HydrophobicContact CB-SD 4.14Å; V166-M197 HydrophobicContact CG1-CG 4.44Å; V166-M197 HydrophobicContact CG1-SD 3.73Å; V166-M197 HydrophobicContact CG2-CG 3.85Å; V166-M197 HydrophobicContact CG2-SD 4.03Å
167	S	61.5	Low	58.9	Low	103 Å²	103	84.4 Å²	84.4	72%	0.72	49%	0.492	S	S	*	.			trans	-53.8	113.3	168.3	-58.8	0	0	0	0	108.9	T165 A169	T165-S167 PolarHBondContact O-N 3.02Å; T165-S167 VanDerWaalsContact O-N 3.15Å; S167-A169 PolarHBondContact O-N 3.16Å
168	S	65.2	Low	61.5	Low	45 Å²	45	85 Å²	85	32%	0.315	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-72.2	125.7	179.8	-49.3	0	0	0	0	108.5	V166 L193	V166-S168 PolarHBondContact O-N 3.22Å; V166-S168 VanDerWaalsContact O-N 3.08Å; S168-L193 VanDerWaalsContact OG-CD2 3.26Å; S168-L193 WeakPolarHBondContact OG-CD2 3.19Å
169	A	72.9	Confident	64.1	Low	31 Å²	31	79.2 Å²	79.2	26%	0.256	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	157.2	169.9	0	0	0	0	0	109.5	S167 G171 G179	S167-A169 PolarHBondContact O-N 3.16Å; A169-G171 PolarHBondContact O-N 3.41Å; A169-G179 PolarHBondContact N-O 3.03Å; A169-G179 VanDerWaalsContact O-CA 3.25Å; A169-G179 WeakPolarHBondContact O-CA 3.38Å; A169-G179 PolarHBondContact O-N 3.43Å
170	P	76.5	Confident	66.6	Low	126 Å²	126	73.4 Å²	73.4	82%	0.818	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	127.5	163.4	-21.2	33.4	0	0	0	109.3
171	G	73.4	Confident	68.7	Low	21 Å²	21	72.6 Å²	72.6	22%	0.216	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-76.6	161.2	178.6	0	0	0	0	0	113.6	A169 S173 K176 P177	A169-G171 PolarHBondContact O-N 3.41Å; G171-S173 PolarHBondContact O-N 3.17Å; G171-S173 VanDerWaalsContact O-N 3.08Å; G171-K176 VanDerWaalsContact CA-O 3.32Å; G171-K176 WeakPolarHBondContact CA-O 3.33Å; G171-P177 PolarHBondContact N-O 3.43Å
172	P	73	Confident	70.8	Confident	87 Å²	87	75 Å²	75	57%	0.565	45%	0.446	S	S	*	.	S	Bend	trans	-72.1	-0.1	-172.3	32	-39.1	0	0	0	115
173	S	76	Confident	72.7	Confident	59 Å²	59	67.6 Å²	67.6	41%	0.413	42%	0.423	S	S	.	.	S	Bend	trans	-159.9	150.5	-178.3	-44.5	0	0	0	0	110.4	G171 D175 K176	G171-S173 PolarHBondContact O-N 3.17Å; G171-S173 VanDerWaalsContact O-N 3.08Å; S173-D175 PolarHBondContact O-N 3.31Å; S173-K176 CarbonylContact O-C 3.23Å; S173-K176 PolarHBondContact O-N 3.36Å
174	G	72.4	Confident	74.3	Confident	79 Å²	79	75.9 Å²	75.9	81%	0.814	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.2	178.4	0	0	0	0	0	114.2	K176	G174-K176 PolarHBondContact O-N 3.48Å
175	D	81.7	Confident	76.1	Confident	136 Å²	136	77.1 Å²	77.1	73%	0.727	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.1	176.9	-62.9	-32.2	0	0	0	114.8	S173	S173-D175 PolarHBondContact O-N 3.31Å
176	K	84.2	Confident	77.7	Confident	94 Å²	94	72.3 Å²	72.3	41%	0.409	43%	0.425	S	S	.	.			trans	-135.8	59.7	-172.9	-69	172.8	-177.4	166.1	0	110	G171 S173 G174 Y178 F187	G171-K176 VanDerWaalsContact CA-O 3.32Å; G171-K176 WeakPolarHBondContact CA-O 3.33Å; S173-K176 CarbonylContact O-C 3.23Å; S173-K176 PolarHBondContact O-N 3.36Å; G174-K176 PolarHBondContact O-N 3.48Å; K176-Y178 PolarHBondContact O-N 3.33Å; K176-Y178 VanDerWaalsContact O-N 3.1Å; K176-F187 CarbonylContact C-O 3.58Å; K176-F187 VanDerWaalsContact C-O 3.27Å; K176-F187 WeakPolarHBondContact CA-O 3.26Å
177	P	82.1	Confident	79.3	Confident	67 Å²	67	72.4 Å²	72.4	44%	0.435	42%	0.422	S	S	.	.			trans	-64.1	-21.6	-167.7	25	-34	0	0	0	114.1	G171 G179	G171-P177 PolarHBondContact N-O 3.43Å; P177-G179 PolarHBondContact O-N 2.96Å
178	Y	85.4	Confident	80.6	Confident	86 Å²	86	75 Å²	75	34%	0.337	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	94	-177.8	-57.7	-78.5	0	0	0	111.3	K176 G186 F187 S189 K190	K176-Y178 PolarHBondContact O-N 3.33Å; K176-Y178 VanDerWaalsContact O-N 3.1Å; Y178-G186 CarbonylContact O-C 3.58Å; Y178-G186 WeakPolarHBondContact O-CA 3.47Å; Y178-F187 PolarHBondContact N-O 2.96Å; Y178-F187 WeakPolarHBondContact O-CD2 3.46Å; Y178-F187 PolarHBondContact O-N 3.46Å; Y178-S189 VanDerWaalsContact CD2-CA 3.42Å; Y178-K190 HydrophobicContact CD1-CB 4.03Å; Y178-K190 HydrophobicContact CE1-CB 3.93Å; Y178-K190 HydrophobicContact CG-CB 4.5Å
179	G	84.3	Confident	81.6	Confident	3 Å²	3	74.4 Å²	74.4	3%	0.031	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	147.5	174.5	0	0	0	0	0	113.4	A169 P177	A169-G179 PolarHBondContact N-O 3.03Å; A169-G179 VanDerWaalsContact O-CA 3.25Å; A169-G179 WeakPolarHBondContact O-CA 3.38Å; A169-G179 PolarHBondContact O-N 3.43Å; P177-G179 PolarHBondContact O-N 2.96Å
180	C	86.6	Confident	82.2	Confident	10 Å²	10	78.1 Å²	78.1	7%	0.068	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.5	170.8	175.9	0	0	0	0	111.4	K182 C183 K185 F187 L193 H196 M197 H200	C180-K182 PolarHBondContact O-N 2.83Å; C180-K182 PolarHBondContact SG-N 2.83Å; C180-C183 WeakPolarHBondContact CB-O 3.33Å; C180-C183 PolarHBondContact SG-N 2.85Å; C180-C183 VanDerWaalsContact SG-N 3.43Å; C180-K185 WeakPolarHBondContact CB-O 3.3Å; C180-K185 PolarHBondContact N-O 3.49Å; C180-F187 HydrophobicContact CB-CE2 4.42Å; C180-L193 HydrophobicContact CB-CD1 3.96Å; C180-H196 PolarHBondContact SG-NE2 3.34Å; C180-M197 HydrophobicContact CB-CE 3.92Å; C180-M197 WeakPolarHBondContact SG-CE 3.36Å; C180-H200 PolarHBondContact SG-NE2 3.29Å
181	P	81.1	Confident	82.7	Confident	74 Å²	74	76 Å²	76	48%	0.481	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.2	176.6	30.3	-35.5	0	0	0	113.7	V166	V166-P181 HydrophobicContact CG1-CG 3.56Å
182	K	80.1	Confident	83.3	Confident	114 Å²	114	78.5 Å²	78.5	50%	0.496	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-7.5	-179.1	-67.4	-177.6	174.9	-178	0	114.5	C180 H200	C180-K182 PolarHBondContact O-N 2.83Å; C180-K182 PolarHBondContact SG-N 2.83Å; K182-H200 HydrophobicContact CB-CB 4.49Å; K182-H200 WeakPolarHBondContact CB-ND1 3.49Å; K182-H200 HydrophobicContact CD-CB 3.59Å; K182-H200 PolarHBondContact O-CE1 3.42Å
183	C	85.3	Confident	83.9	Confident	36 Å²	36	74.5 Å²	74.5	24%	0.243	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	165.3	170.2	68.7	0	0	0	0	112.1	C180 K185 H196 H200	C180-C183 WeakPolarHBondContact CB-O 3.33Å; C180-C183 PolarHBondContact SG-N 2.85Å; C180-C183 VanDerWaalsContact SG-N 3.43Å; C183-K185 PolarHBondContact O-N 2.65Å; C183-H196 PolarHBondContact SG-NE2 2.3Å; C183-H196 VanDerWaalsContact SG-NE2 3.39Å; C183-H200 WeakPolarHBondContact CB-CE1 3.39Å; C183-H200 PolarHBondContact SG-CE1 3.18Å; C183-H200 PolarHBondContact SG-NE2 3.01Å
184	Y	83.6	Confident	84.2	Confident	200 Å²	200	74.6 Å²	74.6	78%	0.784	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	2.7	-177.3	69.4	-93.9	0	0	0	116.4	G186	Y184-G186 PolarHBondContact O-N 2.93Å
185	K	84.9	Confident	84.6	Confident	98 Å²	98	75 Å²	75	43%	0.426	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.2	-174.5	-68.1	-169.5	177.9	-172.5	0	111.9	C180 C183 F187	C180-K185 WeakPolarHBondContact CB-O 3.3Å; C180-K185 PolarHBondContact N-O 3.49Å; C183-K185 PolarHBondContact O-N 2.65Å; K185-F187 HydrophobicContact CB-CE2 3.69Å; K185-F187 HydrophobicContact CB-CZ 3.74Å; K185-F187 HydrophobicContact CD-CZ 4.37Å; K185-F187 WeakPolarHBondContact O-CE2 3.37Å
186	G	86.4	Confident	84.7	Confident	14 Å²	14	69.2 Å²	69.2	14%	0.144	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	149.7	167.7	0	0	0	0	0	113.4	Y178 Y184	Y178-G186 CarbonylContact O-C 3.58Å; Y178-G186 WeakPolarHBondContact O-CA 3.47Å; Y184-G186 PolarHBondContact O-N 2.93Å
187	F	88.2	Confident	84.6	Confident	37 Å²	37	64.9 Å²	64.9	16%	0.162	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.3	-177	-60.9	-86.3	0	0	0	111.7	K176 Y178 C180 K185 S189 L192 L193 H196	K176-F187 CarbonylContact C-O 3.58Å; K176-F187 VanDerWaalsContact C-O 3.27Å; K176-F187 WeakPolarHBondContact CA-O 3.26Å; Y178-F187 PolarHBondContact N-O 2.96Å; Y178-F187 WeakPolarHBondContact O-CD2 3.46Å; Y178-F187 PolarHBondContact O-N 3.46Å; C180-F187 HydrophobicContact CB-CE2 4.42Å; K185-F187 HydrophobicContact CB-CE2 3.69Å; K185-F187 HydrophobicContact CB-CZ 3.74Å; K185-F187 HydrophobicContact CD-CZ 4.37Å; K185-F187 WeakPolarHBondContact O-CE2 3.37Å; F187-S189 VanDerWaalsContact C-N 3.28Å; F187-S189 PolarHBondContact O-N 3.1Å; F187-L192 HydrophobicContact CB-CB 4.02Å; F187-L192 HydrophobicContact CD1-CB 3.9Å; F187-L192 HydrophobicContact CG-CB 4.28Å; F187-L193 HydrophobicContact CB-CB 4.28Å; F187-L193 HydrophobicContact CD2-CB 4.07Å; F187-L193 HydrophobicContact CD2-CD1 3.69Å; F187-L193 HydrophobicContact CE2-CD1 4.02Å; F187-L193 HydrophobicContact CG-CB 4.3Å; F187-H196 HydrophobicContact CE1-CB 3.75Å; F187-H196 AromaticContact CE1-CG 4Å; F187-H196 HydrophobicContact CE2-CB 3.9Å; F187-H196 AromaticContact CE2-CD2 3.17Å; F187-H196 WeakPolarHBondContact CE2-CD2 3.33Å; F187-H196 AromaticContact CE2-CG 3.58Å; F187-H196 AromaticContact CE2-NE2 3.91Å; F187-H196 HydrophobicContact CZ-CB 3.41Å; F187-H196 VanDerWaalsContact CZ-CB 3.41Å; F187-H196 AromaticContact CZ-CD2 3.27Å; F187-H196 WeakPolarHBondContact CZ-CD2 3.45Å; F187-H196 AromaticContact CZ-CG 3.16Å; F187-H196 AromaticContact CZ-ND1 3.77Å; F187-H196 AromaticContact CZ-NE2 3.93Å
188	K	88.6	Confident	84.3	Confident	159 Å²	159	62.5 Å²	62.5	69%	0.691	31%	0.306	S	S	*	.	S	Bend	trans	-71.9	-20.4	178.1	-61.5	-168.3	173.3	-168.2	0	113.4	L192	K188-L192 HydrophobicContact CB-CD1 4.48Å
189	S	87	Confident	83.9	Confident	31 Å²	31	62.9 Å²	62.9	22%	0.217	31%	0.313	C	S	.	.	S	Bend	trans	-145.5	153.5	-179.1	68.9	0	0	0	0	111.6	Y178 F187 S191 L192 L193	Y178-S189 VanDerWaalsContact CD2-CA 3.42Å; F187-S189 VanDerWaalsContact C-N 3.28Å; F187-S189 PolarHBondContact O-N 3.1Å; S189-S191 PolarHBondContact O-N 2.93Å; S189-S191 PolarHBondContact OG-OG 3.23Å; S189-L192 PolarHBondContact O-N 3.11Å; S189-L192 WeakPolarHBondContact OG-CG 3.36Å; S189-L192 PolarHBondContact OG-N 3.34Å; S189-L192 VanDerWaalsContact OG-N 3.17Å; S189-L193 PolarHBondContact O-N 3.13Å; S189-L193 VanDerWaalsContact O-N 3.11Å
190	K	86.4	Confident	83.5	Confident	109 Å²	109	65.9 Å²	65.9	47%	0.474	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-32	171.2	-174.1	167.4	-178.7	168.6	0	112.4	Y178 L193 D194	Y178-K190 HydrophobicContact CD1-CB 4.03Å; Y178-K190 HydrophobicContact CE1-CB 3.93Å; Y178-K190 HydrophobicContact CG-CB 4.5Å; K190-L193 WeakPolarHBondContact O-CB 3.45Å; K190-L193 PolarHBondContact O-N 2.95Å; K190-D194 VanDerWaalsContact O-CB 3.31Å; K190-D194 WeakPolarHBondContact O-CB 3.35Å; K190-D194 PolarHBondContact O-N 3.08Å
191	S	85.8	Confident	82.7	Confident	81 Å²	81	68 Å²	68	57%	0.566	33%	0.334	S	S	*	.	H	α-helix	trans	-66.1	-36.5	175.9	52.9	0	0	0	0	113.4	S189 Q195	S189-S191 PolarHBondContact O-N 2.93Å; S189-S191 PolarHBondContact OG-OG 3.23Å; S191-Q195 WeakPolarHBondContact O-CB 3.36Å; S191-Q195 PolarHBondContact O-N 3.46Å
192	L	85.9	Confident	81.8	Confident	74 Å²	74	68.8 Å²	68.8	39%	0.387	34%	0.339	S	S	.	.	H	α-helix	trans	-74	-34.2	174.5	-72	170.9	0	0	0	111.7	F187 K188 S189 H196	F187-L192 HydrophobicContact CB-CB 4.02Å; F187-L192 HydrophobicContact CD1-CB 3.9Å; F187-L192 HydrophobicContact CG-CB 4.28Å; K188-L192 HydrophobicContact CB-CD1 4.48Å; S189-L192 PolarHBondContact O-N 3.11Å; S189-L192 WeakPolarHBondContact OG-CG 3.36Å; S189-L192 PolarHBondContact OG-N 3.34Å; S189-L192 VanDerWaalsContact OG-N 3.17Å; L192-H196 VanDerWaalsContact O-CB 3.28Å; L192-H196 WeakPolarHBondContact O-CB 3.41Å; L192-H196 PolarHBondContact O-N 3.44Å
193	L	86.3	Confident	81.2	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-48.2	170.8	176.9	67.6	0	0	0	111.1	S168 C180 F187 S189 K190 H196 M197	S168-L193 VanDerWaalsContact OG-CD2 3.26Å; S168-L193 WeakPolarHBondContact OG-CD2 3.19Å; C180-L193 HydrophobicContact CB-CD1 3.96Å; F187-L193 HydrophobicContact CB-CB 4.28Å; F187-L193 HydrophobicContact CD2-CB 4.07Å; F187-L193 HydrophobicContact CD2-CD1 3.69Å; F187-L193 HydrophobicContact CE2-CD1 4.02Å; F187-L193 HydrophobicContact CG-CB 4.3Å; S189-L193 PolarHBondContact O-N 3.13Å; S189-L193 VanDerWaalsContact O-N 3.11Å; K190-L193 WeakPolarHBondContact O-CB 3.45Å; K190-L193 PolarHBondContact O-N 2.95Å; L193-H196 CarbonylContact O-C 3.43Å; L193-H196 WeakPolarHBondContact O-CA 3.43Å; L193-H196 VanDerWaalsContact O-CB 3.31Å; L193-H196 WeakPolarHBondContact O-CB 3.36Å; L193-H196 PolarHBondContact O-N 2.96Å; L193-M197 HydrophobicContact CD1-CE 3.42Å; L193-M197 VanDerWaalsContact CD1-CE 3.42Å; L193-M197 HydrophobicContact CG-CE 4.1Å; L193-M197 WeakPolarHBondContact O-CG 3.13Å; L193-M197 PolarHBondContact O-N 2.84Å
194	D	81.3	Confident	80.3	Confident	61 Å²	61	70.3 Å²	70.3	33%	0.326	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-48.7	177.7	-166.8	47.5	0	0	0	111.2	K190 H196 M197	K190-D194 VanDerWaalsContact O-CB 3.31Å; K190-D194 WeakPolarHBondContact O-CB 3.35Å; K190-D194 PolarHBondContact O-N 3.08Å; D194-H196 PolarHBondContact O-N 3.43Å; D194-M197 WeakPolarHBondContact O-CB 3.34Å; D194-M197 PolarHBondContact O-N 2.72Å
195	Q	81.5	Confident	79.7	Confident	88 Å²	88	62.6 Å²	62.6	41%	0.411	31%	0.313	S	S	.	.	H	α-helix	trans	-53.8	-37.9	170.4	165.9	157.1	31.1	0	0	112.9	S191 W216	S191-Q195 WeakPolarHBondContact O-CB 3.36Å; S191-Q195 PolarHBondContact O-N 3.46Å; Q195-W216 HydrophobicContact CB-CZ2 3.81Å; Q195-W216 VanDerWaalsContact CD-CZ2 3.42Å; Q195-W216 HydrophobicContact CG-CH2 4.23Å; Q195-W216 HydrophobicContact CG-CZ2 3.36Å; Q195-W216 VanDerWaalsContact NE2-CH2 3.33Å; Q195-W216 VanDerWaalsContact NE2-CZ2 3.27Å; Q195-W216 PolarHBondContact O-NE1 3Å
196	H	84	Confident	79.1	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.065	32%	0.32	C	S	.	.	H	α-helix	trans	-73.5	-31.7	177.8	165.9	59	0	0	0	113.6	C180 C183 F187 L192 L193 D194 H198 L199 H200	C180-H196 PolarHBondContact SG-NE2 3.34Å; C183-H196 PolarHBondContact SG-NE2 2.3Å; C183-H196 VanDerWaalsContact SG-NE2 3.39Å; F187-H196 HydrophobicContact CE1-CB 3.75Å; F187-H196 AromaticContact CE1-CG 4Å; F187-H196 HydrophobicContact CE2-CB 3.9Å; F187-H196 AromaticContact CE2-CD2 3.17Å; F187-H196 WeakPolarHBondContact CE2-CD2 3.33Å; F187-H196 AromaticContact CE2-CG 3.58Å; F187-H196 AromaticContact CE2-NE2 3.91Å; F187-H196 HydrophobicContact CZ-CB 3.41Å; F187-H196 VanDerWaalsContact CZ-CB 3.41Å; F187-H196 AromaticContact CZ-CD2 3.27Å; F187-H196 WeakPolarHBondContact CZ-CD2 3.45Å; F187-H196 AromaticContact CZ-CG 3.16Å; F187-H196 AromaticContact CZ-ND1 3.77Å; F187-H196 AromaticContact CZ-NE2 3.93Å; L192-H196 VanDerWaalsContact O-CB 3.28Å; L192-H196 WeakPolarHBondContact O-CB 3.41Å; L192-H196 PolarHBondContact O-N 3.44Å; L193-H196 CarbonylContact O-C 3.43Å; L193-H196 WeakPolarHBondContact O-CA 3.43Å; L193-H196 VanDerWaalsContact O-CB 3.31Å; L193-H196 WeakPolarHBondContact O-CB 3.36Å; L193-H196 PolarHBondContact O-N 2.96Å; D194-H196 PolarHBondContact O-N 3.43Å; H196-H198 PolarHBondContact O-N 3.31Å; H196-L199 WeakPolarHBondContact O-CB 3.31Å; H196-L199 PolarHBondContact O-N 2.7Å; H196-H200 AromaticContact CD2-NE2 3.49Å; H196-H200 PolarHBondContact CD2-NE2 3.31Å; H196-H200 AromaticContact CE1-CD2 3.74Å; H196-H200 AromaticContact CE1-NE2 2.72Å; H196-H200 PolarHBondContact CE1-NE2 3.26Å; H196-H200 AromaticContact ND1-NE2 3.92Å; H196-H200 AromaticContact NE2-CD2 3.59Å; H196-H200 AromaticContact NE2-NE2 2.3Å; H196-H200 PolarHBondContact NE2-NE2 3.39Å
197	M	81.2	Confident	78.8	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-54.3	-38.5	-179.9	-69.6	-55.7	92.6	0	0	112.4	V166 C180 L193 D194 L199 H200 F201	V166-M197 HydrophobicContact CB-CG 4.19Å; V166-M197 HydrophobicContact CB-SD 4.14Å; V166-M197 HydrophobicContact CG1-CG 4.44Å; V166-M197 HydrophobicContact CG1-SD 3.73Å; V166-M197 HydrophobicContact CG2-CG 3.85Å; V166-M197 HydrophobicContact CG2-SD 4.03Å; C180-M197 HydrophobicContact CB-CE 3.92Å; C180-M197 WeakPolarHBondContact SG-CE 3.36Å; L193-M197 HydrophobicContact CD1-CE 3.42Å; L193-M197 VanDerWaalsContact CD1-CE 3.42Å; L193-M197 HydrophobicContact CG-CE 4.1Å; L193-M197 WeakPolarHBondContact O-CG 3.13Å; L193-M197 PolarHBondContact O-N 2.84Å; D194-M197 WeakPolarHBondContact O-CB 3.34Å; D194-M197 PolarHBondContact O-N 2.72Å; M197-L199 PolarHBondContact O-N 3.49Å; M197-H200 WeakPolarHBondContact O-CB 3.22Å; M197-H200 PolarHBondContact O-N 2.92Å; M197-F201 HydrophobicContact CB-CE2 4.26Å; M197-F201 WeakPolarHBondContact O-CD2 3.39Å
198	H	76.2	Confident	78.3	Confident	17 Å²	17	70.4 Å²	70.4	8%	0.079	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-21.1	174.9	-62.5	-68.8	0	0	0	115.1	Q163 H196 W216	Q163-H198 PolarHBondContact NE2-ND1 3.15Å; H196-H198 PolarHBondContact O-N 3.31Å; H198-W216 VanDerWaalsContact CB-CD1 3.41Å; H198-W216 AromaticContact CD2-CD1 3.68Å; H198-W216 AromaticContact CD2-CE2 3.98Å; H198-W216 AromaticContact CD2-NE1 3.18Å; H198-W216 PolarHBondContact CD2-NE1 3.5Å; H198-W216 AromaticContact CG-CD1 3.71Å; H198-W216 AromaticContact CG-NE1 3.7Å
199	L	78	Confident	77.8	Confident	93 Å²	93	66.1 Å²	66.1	49%	0.487	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-28.7	174.2	-62.8	-176.5	0	0	0	112.9	H196 M197 R215	H196-L199 WeakPolarHBondContact O-CB 3.31Å; H196-L199 PolarHBondContact O-N 2.7Å; M197-L199 PolarHBondContact O-N 3.49Å; L199-R215 PolarHBondContact O-NH1 3.06Å
200	H	76	Confident	77.4	Confident	66 Å²	66	65.3 Å²	65.3	31%	0.306	31%	0.312	S	S	.	.	S	Bend	trans	-83.9	-9.8	-177.5	-74.1	-72.9	0	0	0	114.5	C180 K182 C183 H196 M197	C180-H200 PolarHBondContact SG-NE2 3.29Å; K182-H200 HydrophobicContact CB-CB 4.49Å; K182-H200 WeakPolarHBondContact CB-ND1 3.49Å; K182-H200 HydrophobicContact CD-CB 3.59Å; K182-H200 PolarHBondContact O-CE1 3.42Å; C183-H200 WeakPolarHBondContact CB-CE1 3.39Å; C183-H200 PolarHBondContact SG-CE1 3.18Å; C183-H200 PolarHBondContact SG-NE2 3.01Å; H196-H200 AromaticContact CD2-NE2 3.49Å; H196-H200 PolarHBondContact CD2-NE2 3.31Å; H196-H200 AromaticContact CE1-CD2 3.74Å; H196-H200 AromaticContact CE1-NE2 2.72Å; H196-H200 PolarHBondContact CE1-NE2 3.26Å; H196-H200 AromaticContact ND1-NE2 3.92Å; H196-H200 AromaticContact NE2-CD2 3.59Å; H196-H200 AromaticContact NE2-NE2 2.3Å; H196-H200 PolarHBondContact NE2-NE2 3.39Å; M197-H200 WeakPolarHBondContact O-CB 3.22Å; M197-H200 PolarHBondContact O-N 2.92Å
201	F	68.2	Low	77.1	Confident	54 Å²	54	61.2 Å²	61.2	24%	0.237	30%	0.301	C	S	.	.	S	Bend	trans	-91.7	150.7	173.7	-65.5	-79.2	0	0	0	110.3	M197 R215	M197-F201 HydrophobicContact CB-CE2 4.26Å; M197-F201 WeakPolarHBondContact O-CD2 3.39Å; F201-R215 PolarHBondContact O-NH1 3.17Å; F201-R215 VanDerWaalsContact O-NH1 3.07Å
202	P	62.5	Low	76.5	Confident	91 Å²	91	61 Å²	61	59%	0.591	29%	0.293	S	S	*	.			trans	-57.8	146.5	168.7	26.7	-34.7	0	0	0	109.3	R204	P202-R204 PolarHBondContact O-N 3.16Å
203	P	67.9	Low	76.2	Confident	50 Å²	50	61.3 Å²	61.3	33%	0.325	30%	0.298	S	S	.	.			trans	-69.7	102.9	-177.2	29.7	-35.7	0	0	0	111	V213 R215	P203-V213 HydrophobicContact CB-CG1 3.34Å; P203-V213 HydrophobicContact CG-CG1 3.43Å; P203-V213 VanDerWaalsContact CG-CG1 3.43Å; P203-R215 HydrophobicContact CB-CG 3.67Å
204	R	67.3	Low	75.6	Confident	132 Å²	132	63.1 Å²	63.1	50%	0.498	31%	0.305	S	S	.	.			trans	-76.9	-20.7	-176.4	-68.8	-178.2	170.9	176.6	-5.7	114.2	Y161 P202 K206	Y161-R204 PolarHBondContact OH-NH1 3.04Å; P202-R204 PolarHBondContact O-N 3.16Å; R204-K206 PolarHBondContact O-N 2.84Å
205	Y	69.2	Low	75.4	Confident	38 Å²	38	65.9 Å²	65.9	15%	0.149	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	84.4	-164.9	-55.9	-78.3	0	0	0	112.8	Y214 P217 Y220	Y205-Y214 WeakPolarHBondContact CB-O 3.47Å; Y205-Y214 PolarHBondContact N-O 3.08Å; Y205-Y214 VanDerWaalsContact N-O 3.16Å; Y205-Y214 PolarHBondContact O-N 3.29Å; Y205-P217 HydrophobicContact CE1-CB 4.25Å; Y205-P217 HydrophobicContact CE2-CB 4Å; Y205-P217 HydrophobicContact CE2-CG 3.92Å; Y205-Y220 AromaticContact CD1-CD1 3.76Å; Y205-Y220 HydrophobicContact CD1-CD1 3.76Å; Y205-Y220 HydrophobicContact CD1-CE1 4.2Å; Y205-Y220 HydrophobicContact CD1-CG 4.05Å; Y205-Y220 HydrophobicContact CG-CD1 4.19Å; Y205-Y220 AromaticContact CG-CG 4Å; Y205-Y220 HydrophobicContact CG-CG 4Å
206	K	74.1	Confident	75.2	Confident	130 Å²	130	65 Å²	65	57%	0.565	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	129.6	172.7	-171.8	174.8	-179.9	-178.6	0	110.7	R204 R208 V213	R204-K206 PolarHBondContact O-N 2.84Å; K206-R208 PolarHBondContact O-N 3.47Å; K206-V213 HydrophobicContact CB-CG2 4.3Å; K206-V213 HydrophobicContact CG-CG2 4.06Å
207	C	78.9	Confident	74.7	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.007	30%	0.302	C	S	.	.			trans	-80.5	113.7	168.4	-179.4	0	0	0	0	110.1	W209 C210 G211 N212 Y214 H223	C207-W209 PolarHBondContact O-N 2.81Å; C207-C210 VanDerWaalsContact CB-SG 3.56Å; C207-C210 VanDerWaalsContact SG-SG 3.64Å; C207-G211 WeakPolarHBondContact O-CA 3.16Å; C207-G211 PolarHBondContact O-N 3.06Å; C207-N212 PolarHBondContact N-O 3.49Å; C207-Y214 HydrophobicContact CB-CE2 4.33Å; C207-H223 PolarHBondContact SG-NE2 3.36Å
208	R	78.9	Confident	74.6	Confident	182 Å²	182	67.1 Å²	67.1	69%	0.687	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-43.8	175.3	179.3	79.2	101.8	166	0.9	111.8	K206 D256	K206-R208 PolarHBondContact O-N 3.47Å; R208-D256 WeakPolarHBondContact CD-OD2 3.48Å; R208-D256 IonicContact CZ-OD2 3.9Å; R208-D256 IonicContact NE-OD2 2.61Å; R208-D256 IonicContact NH1-OD2 3.5Å; R208-D256 PolarHBondContact NH1-OD2 3.25Å
209	W	76.8	Confident	74.8	Confident	70 Å²	70	69.5 Å²	69.5	27%	0.265	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-37.6	-169.9	-54.3	-58.1	0	0	0	115.1	C207 K224 C227 K229 R230	C207-W209 PolarHBondContact O-N 2.81Å; W209-K224 HydrophobicContact CH2-CG 4.13Å; W209-K224 HydrophobicContact CZ3-CG 3.72Å; W209-K224 WeakPolarHBondContact CZ3-O 3.31Å; W209-C227 HydrophobicContact CE3-CB 4.15Å; W209-K229 HydrophobicContact CB-CB 4.18Å; W209-K229 VanDerWaalsContact O-CB 3.25Å; W209-K229 WeakPolarHBondContact O-CB 3.43Å; W209-K229 WeakPolarHBondContact O-CD 3.02Å; W209-R230 HydrophobicContact CD2-CB 3.95Å; W209-R230 HydrophobicContact CD2-CG 4Å; W209-R230 HydrophobicContact CE3-CB 3.93Å; W209-R230 HydrophobicContact CE3-CG 4.04Å; W209-R230 HydrophobicContact CG-CB 4.28Å; W209-R230 HydrophobicContact CH2-CG 4.14Å; W209-R230 HydrophobicContact CZ2-CG 4.1Å; W209-R230 HydrophobicContact CZ3-CB 4.41Å; W209-R230 HydrophobicContact CZ3-CG 4.1Å
210	C	80.2	Confident	75	Confident	14 Å²	14	66.9 Å²	66.9	10%	0.095	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-13.3	-177.9	73.2	0	0	0	0	115.1	C207 N212 H223 K229	C207-C210 VanDerWaalsContact CB-SG 3.56Å; C207-C210 VanDerWaalsContact SG-SG 3.64Å; C210-N212 PolarHBondContact O-N 3.03Å; C210-N212 WeakPolarHBondContact SG-CB 3.27Å; C210-N212 PolarHBondContact SG-N 2.88Å; C210-N212 PolarHBondContact SG-ND2 3.21Å; C210-H223 PolarHBondContact SG-CE1 3.43Å; C210-H223 PolarHBondContact SG-NE2 3.14Å; C210-K229 HydrophobicContact CB-CB 4.27Å; C210-K229 HydrophobicContact CB-CD 3.97Å; C210-K229 HydrophobicContact CB-CG 4.01Å; C210-K229 PolarHBondContact O-NZ 2.73Å
211	G	78.2	Confident	75.1	Confident	23 Å²	23	68.4 Å²	68.4	24%	0.237	32%	0.322	C	S	.	.			trans	80.1	-13	-172.7	0	0	0	0	0	114.3	C207 V213	C207-G211 WeakPolarHBondContact O-CA 3.16Å; C207-G211 PolarHBondContact O-N 3.06Å; G211-V213 PolarHBondContact O-N 3.45Å
212	N	74.8	Confident	75.7	Confident	76 Å²	76	71.7 Å²	71.7	41%	0.406	34%	0.338	S	S	.	.			trans	-60.8	135.4	-179.1	-65.4	-15.2	0	0	0	111.1	C207 C210 Y214	C207-N212 PolarHBondContact N-O 3.49Å; C210-N212 PolarHBondContact O-N 3.03Å; C210-N212 WeakPolarHBondContact SG-CB 3.27Å; C210-N212 PolarHBondContact SG-N 2.88Å; C210-N212 PolarHBondContact SG-ND2 3.21Å; N212-Y214 HydrophobicContact CB-CD2 4.41Å; N212-Y214 HydrophobicContact CB-CE2 3.48Å; N212-Y214 VanDerWaalsContact CB-CE2 3.48Å; N212-Y214 WeakPolarHBondContact CB-OH 3.25Å; N212-Y214 PolarHBondContact ND2-OH 2.83Å
213	V	78.2	Confident	76.6	Confident	81 Å²	81	68.4 Å²	68.4	49%	0.491	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.2	-175.4	167.8	0	0	0	0	108.8	P203 K206 G211	P203-V213 HydrophobicContact CB-CG1 3.34Å; P203-V213 HydrophobicContact CG-CG1 3.43Å; P203-V213 VanDerWaalsContact CG-CG1 3.43Å; K206-V213 HydrophobicContact CB-CG2 4.3Å; K206-V213 HydrophobicContact CG-CG2 4.06Å; G211-V213 PolarHBondContact O-N 3.45Å
214	Y	74.6	Confident	77.1	Confident	41 Å²	41	69.7 Å²	69.7	16%	0.161	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.2	-174.1	-62.5	-84	0	0	0	111	Y205 C207 N212 V219 Y220 H223	Y205-Y214 WeakPolarHBondContact CB-O 3.47Å; Y205-Y214 PolarHBondContact N-O 3.08Å; Y205-Y214 VanDerWaalsContact N-O 3.16Å; Y205-Y214 PolarHBondContact O-N 3.29Å; C207-Y214 HydrophobicContact CB-CE2 4.33Å; N212-Y214 HydrophobicContact CB-CD2 4.41Å; N212-Y214 HydrophobicContact CB-CE2 3.48Å; N212-Y214 VanDerWaalsContact CB-CE2 3.48Å; N212-Y214 WeakPolarHBondContact CB-OH 3.25Å; N212-Y214 PolarHBondContact ND2-OH 2.83Å; Y214-V219 HydrophobicContact CD1-CB 4.41Å; Y214-V219 HydrophobicContact CD1-CG1 3.57Å; Y214-V219 HydrophobicContact CE1-CG1 3.77Å; Y214-Y220 HydrophobicContact CD2-CD2 4.01Å; Y214-H223 HydrophobicContact CE1-CB 4.29Å; Y214-H223 HydrophobicContact CE2-CB 3.99Å; Y214-H223 AromaticContact CE2-CD2 3.41Å; Y214-H223 VanDerWaalsContact CE2-CD2 3.41Å; Y214-H223 WeakPolarHBondContact CE2-CD2 3.1Å; Y214-H223 AromaticContact CE2-CG 3.58Å; Y214-H223 AromaticContact CZ-CD2 3.77Å; Y214-H223 AromaticContact CZ-CG 3.44Å; Y214-H223 VanDerWaalsContact CZ-CG 3.44Å; Y214-H223 AromaticContact CZ-ND1 3.87Å; Y214-H223 PolarHBondContact OH-CE1 3.03Å; Y214-H223 PolarHBondContact OH-ND1 2.62Å
215	R	77.3	Confident	77.6	Confident	119 Å²	119	69.5 Å²	69.5	45%	0.449	32%	0.32	S	S	.	.	S	Bend	trans	-88.7	-26	171.9	-67.5	178.8	-173.4	-99.5	1	113	L199 F201 P203	L199-R215 PolarHBondContact O-NH1 3.06Å; F201-R215 PolarHBondContact O-NH1 3.17Å; F201-R215 VanDerWaalsContact O-NH1 3.07Å; P203-R215 HydrophobicContact CB-CG 3.67Å
216	W	76.3	Confident	78.2	Confident	70 Å²	70	76.1 Å²	76.1	27%	0.265	35%	0.345	S	S	.	.			trans	-110.2	119.8	-167.8	-134.2	62.8	0	0	0	111.1	Q195 H198 P218 V219 Y220	Q195-W216 HydrophobicContact CB-CZ2 3.81Å; Q195-W216 VanDerWaalsContact CD-CZ2 3.42Å; Q195-W216 HydrophobicContact CG-CH2 4.23Å; Q195-W216 HydrophobicContact CG-CZ2 3.36Å; Q195-W216 VanDerWaalsContact NE2-CH2 3.33Å; Q195-W216 VanDerWaalsContact NE2-CZ2 3.27Å; Q195-W216 PolarHBondContact O-NE1 3Å; H198-W216 VanDerWaalsContact CB-CD1 3.41Å; H198-W216 AromaticContact CD2-CD1 3.68Å; H198-W216 AromaticContact CD2-CE2 3.98Å; H198-W216 AromaticContact CD2-NE1 3.18Å; H198-W216 PolarHBondContact CD2-NE1 3.5Å; H198-W216 AromaticContact CG-CD1 3.71Å; H198-W216 AromaticContact CG-NE1 3.7Å; W216-P218 HydrophobicContact CD2-CG 4.4Å; W216-P218 HydrophobicContact CE3-CB 3.74Å; W216-P218 HydrophobicContact CE3-CG 3.68Å; W216-P218 HydrophobicContact CH2-CG 4.08Å; W216-P218 HydrophobicContact CZ3-CB 3.66Å; W216-P218 HydrophobicContact CZ3-CG 3.53Å; W216-V219 HydrophobicContact CB-CB 4.31Å; W216-V219 HydrophobicContact CB-CG2 4.26Å; W216-V219 HydrophobicContact CE3-CG2 4.11Å; W216-V219 PolarHBondContact O-N 3.29Å; W216-Y220 PolarHBondContact O-N 3.21Å
217	P	75.2	Confident	78.5	Confident	5 Å²	5	70.4 Å²	70.4	3%	0.032	32%	0.321	C	S	.	.	H	α-helix	trans	-56.7	-46.9	-176.3	1.8	-5.3	0	0	0	113.4	Y205 V219 Y220 Y221	Y205-P217 HydrophobicContact CE1-CB 4.25Å; Y205-P217 HydrophobicContact CE2-CB 4Å; Y205-P217 HydrophobicContact CE2-CG 3.92Å; P217-V219 VanDerWaalsContact C-N 3.31Å; P217-V219 PolarHBondContact O-N 2.75Å; P217-Y220 WeakPolarHBondContact O-CA 3.16Å; P217-Y220 WeakPolarHBondContact O-CB 3.48Å; P217-Y220 PolarHBondContact O-N 3.47Å; P217-Y220 VanDerWaalsContact O-N 3.08Å; P217-Y221 HydrophobicContact CB-CD2 4.3Å; P217-Y221 HydrophobicContact CB-CE2 4.02Å; P217-Y221 WeakPolarHBondContact O-CD2 3.44Å; P217-Y221 PolarHBondContact O-N 3.45Å
218	P	78.6	Confident	78.4	Confident	57 Å²	57	80.5 Å²	80.5	37%	0.37	37%	0.365	S	S	.	.	H	α-helix	trans	-60.4	-36.1	179.5	-27.1	36.2	0	0	0	114.2	W216 H222	W216-P218 HydrophobicContact CD2-CG 4.4Å; W216-P218 HydrophobicContact CE3-CB 3.74Å; W216-P218 HydrophobicContact CE3-CG 3.68Å; W216-P218 HydrophobicContact CH2-CG 4.08Å; W216-P218 HydrophobicContact CZ3-CB 3.66Å; W216-P218 HydrophobicContact CZ3-CG 3.53Å; P218-H222 WeakPolarHBondContact O-CB 3.26Å; P218-H222 PolarHBondContact O-N 3.19Å
219	V	79.3	Confident	78.2	Confident	67 Å²	67	75.3 Å²	75.3	41%	0.406	35%	0.347	S	S	.	.	H	α-helix	trans	-70.3	-40.1	175.1	177.2	0	0	0	0	110.5	Y214 W216 P217 H223	Y214-V219 HydrophobicContact CD1-CB 4.41Å; Y214-V219 HydrophobicContact CD1-CG1 3.57Å; Y214-V219 HydrophobicContact CE1-CG1 3.77Å; W216-V219 HydrophobicContact CB-CB 4.31Å; W216-V219 HydrophobicContact CB-CG2 4.26Å; W216-V219 HydrophobicContact CE3-CG2 4.11Å; W216-V219 PolarHBondContact O-N 3.29Å; P217-V219 VanDerWaalsContact C-N 3.31Å; P217-V219 PolarHBondContact O-N 2.75Å; V219-H223 VanDerWaalsContact O-CB 3.24Å; V219-H223 WeakPolarHBondContact O-CB 3.26Å; V219-H223 PolarHBondContact O-N 3.05Å
220	Y	82.7	Confident	78.1	Confident	38 Å²	38	77 Å²	77	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-60	-48.9	173.1	169.2	-107	0	0	0	112.1	Y205 Y214 W216 P217 H223 K224	Y205-Y220 AromaticContact CD1-CD1 3.76Å; Y205-Y220 HydrophobicContact CD1-CD1 3.76Å; Y205-Y220 HydrophobicContact CD1-CE1 4.2Å; Y205-Y220 HydrophobicContact CD1-CG 4.05Å; Y205-Y220 HydrophobicContact CG-CD1 4.19Å; Y205-Y220 AromaticContact CG-CG 4Å; Y205-Y220 HydrophobicContact CG-CG 4Å; Y214-Y220 HydrophobicContact CD2-CD2 4.01Å; W216-Y220 PolarHBondContact O-N 3.21Å; P217-Y220 WeakPolarHBondContact O-CA 3.16Å; P217-Y220 WeakPolarHBondContact O-CB 3.48Å; P217-Y220 PolarHBondContact O-N 3.47Å; P217-Y220 VanDerWaalsContact O-N 3.08Å; Y220-H223 CarbonylContact O-C 3.55Å; Y220-H223 PolarHBondContact O-N 2.05Å; Y220-K224 HydrophobicContact CE1-CD 4.04Å; Y220-K224 WeakPolarHBondContact O-CB 3.34Å; Y220-K224 PolarHBondContact O-N 3.07Å
221	Y	77.2	Confident	77.1	Confident	97 Å²	97	80.1 Å²	80.1	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-43.9	-179.9	-72.2	-69.7	0	0	0	112	Y158 P217 H223 K224 Q225	Y158-Y221 HydrophobicContact CE2-CD2 4.14Å; Y158-Y221 HydrophobicContact CE2-CE2 4.14Å; P217-Y221 HydrophobicContact CB-CD2 4.3Å; P217-Y221 HydrophobicContact CB-CE2 4.02Å; P217-Y221 WeakPolarHBondContact O-CD2 3.44Å; P217-Y221 PolarHBondContact O-N 3.45Å; Y221-H223 VanDerWaalsContact C-N 3.27Å; Y221-H223 PolarHBondContact O-N 3.34Å; Y221-K224 PolarHBondContact O-N 3.11Å; Y221-Q225 WeakPolarHBondContact O-CG 3.36Å; Y221-Q225 PolarHBondContact O-N 3.16Å; Y221-Q225 VanDerWaalsContact O-N 3.09Å
222	H	81.9	Confident	76.3	Confident	123 Å²	123	85.1 Å²	85.1	57%	0.569	40%	0.399	S	S	*	.	H	α-helix	trans	-57	-43.7	173.1	176.8	-89.6	0	0	0	111.3	P218 R226	P218-H222 WeakPolarHBondContact O-CB 3.26Å; P218-H222 PolarHBondContact O-N 3.19Å; H222-R226 WeakPolarHBondContact O-CB 3.34Å; H222-R226 PolarHBondContact O-N 2.89Å; H222-R226 VanDerWaalsContact O-N 3.12Å
223	H	81.6	Confident	74.9	Confident	23 Å²	23	87.4 Å²	87.4	11%	0.106	41%	0.41	C	S	.	.	H	α-helix	trans	-66.7	-43	174.8	175.4	74.2	0	0	0	112.9	C207 C210 Y214 V219 Y220 Y221 Q225 R226 C227	C207-H223 PolarHBondContact SG-NE2 3.36Å; C210-H223 PolarHBondContact SG-CE1 3.43Å; C210-H223 PolarHBondContact SG-NE2 3.14Å; Y214-H223 HydrophobicContact CE1-CB 4.29Å; Y214-H223 HydrophobicContact CE2-CB 3.99Å; Y214-H223 AromaticContact CE2-CD2 3.41Å; Y214-H223 VanDerWaalsContact CE2-CD2 3.41Å; Y214-H223 WeakPolarHBondContact CE2-CD2 3.1Å; Y214-H223 AromaticContact CE2-CG 3.58Å; Y214-H223 AromaticContact CZ-CD2 3.77Å; Y214-H223 AromaticContact CZ-CG 3.44Å; Y214-H223 VanDerWaalsContact CZ-CG 3.44Å; Y214-H223 AromaticContact CZ-ND1 3.87Å; Y214-H223 PolarHBondContact OH-CE1 3.03Å; Y214-H223 PolarHBondContact OH-ND1 2.62Å; V219-H223 VanDerWaalsContact O-CB 3.24Å; V219-H223 WeakPolarHBondContact O-CB 3.26Å; V219-H223 PolarHBondContact O-N 3.05Å; Y220-H223 CarbonylContact O-C 3.55Å; Y220-H223 PolarHBondContact O-N 2.05Å; Y221-H223 VanDerWaalsContact C-N 3.27Å; Y221-H223 PolarHBondContact O-N 3.34Å; H223-Q225 PolarHBondContact O-N 3.13Å; H223-R226 CarbonylContact O-C 3.57Å; H223-R226 PolarHBondContact O-N 3.12Å; H223-C227 PolarHBondContact NE2-SG 2.86Å; H223-C227 WeakPolarHBondContact O-CA 3.49Å; H223-C227 VanDerWaalsContact O-CB 3.27Å; H223-C227 WeakPolarHBondContact O-CB 3Å; H223-C227 PolarHBondContact O-N 3.49Å
224	K	77.9	Confident	72.6	Confident	77 Å²	77	88.8 Å²	88.8	34%	0.335	42%	0.423	S	S	.	.	H	α-helix	trans	-55.5	-38.9	178.6	-171.7	-178.3	-179	174.4	0	110.8	W209 Y220 Y221	W209-K224 HydrophobicContact CH2-CG 4.13Å; W209-K224 HydrophobicContact CZ3-CG 3.72Å; W209-K224 WeakPolarHBondContact CZ3-O 3.31Å; Y220-K224 HydrophobicContact CE1-CD 4.04Å; Y220-K224 WeakPolarHBondContact O-CB 3.34Å; Y220-K224 PolarHBondContact O-N 3.07Å; Y221-K224 PolarHBondContact O-N 3.11Å
225	Q	78.4	Confident	70.7	Confident	127 Å²	127	91.3 Å²	91.3	59%	0.593	44%	0.438	S	S	*	.	H	α-helix	trans	-76.2	-35.1	175.4	-58.3	-58	-2.7	0	0	113.7	Y221 H223	Y221-Q225 WeakPolarHBondContact O-CG 3.36Å; Y221-Q225 PolarHBondContact O-N 3.16Å; Y221-Q225 VanDerWaalsContact O-N 3.09Å; H223-Q225 PolarHBondContact O-N 3.13Å
226	R	81.8	Confident	68.6	Low	178 Å²	178	88.3 Å²	88.3	67%	0.672	44%	0.444	S	S	*	.	H	α-helix	trans	-105.5	17.5	-175	-70.1	-179.6	149.8	165.7	-6.1	114.9	H222 H223 K228	H222-R226 WeakPolarHBondContact O-CB 3.34Å; H222-R226 PolarHBondContact O-N 2.89Å; H222-R226 VanDerWaalsContact O-N 3.12Å; H223-R226 CarbonylContact O-C 3.57Å; H223-R226 PolarHBondContact O-N 3.12Å; R226-K228 PolarHBondContact O-N 2.92Å; R226-K228 VanDerWaalsContact O-N 3.16Å
227	C	80.5	Confident	66.4	Low	9 Å²	9	93 Å²	93	6%	0.061	47%	0.474	C	S	.	.			trans	-70.6	112.4	-175.8	178.8	0	0	0	0	110.1	W209 H223 K229 R230	W209-C227 HydrophobicContact CE3-CB 4.15Å; H223-C227 PolarHBondContact NE2-SG 2.86Å; H223-C227 WeakPolarHBondContact O-CA 3.49Å; H223-C227 VanDerWaalsContact O-CB 3.27Å; H223-C227 WeakPolarHBondContact O-CB 3Å; H223-C227 PolarHBondContact O-N 3.49Å; C227-K229 PolarHBondContact O-N 3.21Å; C227-R230 HydrophobicContact CB-CB 4.2Å; C227-R230 VanDerWaalsContact O-CB 3.24Å; C227-R230 WeakPolarHBondContact O-CB 3.3Å; C227-R230 PolarHBondContact O-N 3.13Å
228	K	77.1	Confident	64.4	Low	214 Å²	214	99.9 Å²	99.9	93%	0.93	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.7	178.5	-65.7	-171.7	176.6	-172.2	0	114.7	R226	R226-K228 PolarHBondContact O-N 2.92Å; R226-K228 VanDerWaalsContact O-N 3.16Å
229	K	73.2	Confident	62	Low	72 Å²	72	100.3 Å²	100.3	31%	0.313	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-0	177.4	-51.7	-159.1	-140.5	165	0	113.9	W209 C210 C227 P231 H263	W209-K229 HydrophobicContact CB-CB 4.18Å; W209-K229 VanDerWaalsContact O-CB 3.25Å; W209-K229 WeakPolarHBondContact O-CB 3.43Å; W209-K229 WeakPolarHBondContact O-CD 3.02Å; C210-K229 HydrophobicContact CB-CB 4.27Å; C210-K229 HydrophobicContact CB-CD 3.97Å; C210-K229 HydrophobicContact CB-CG 4.01Å; C210-K229 PolarHBondContact O-NZ 2.73Å; C227-K229 PolarHBondContact O-N 3.21Å; K229-P231 VanDerWaalsContact O-CD 3.31Å; K229-P231 WeakPolarHBondContact O-CD 3.35Å; K229-H263 WeakPolarHBondContact CE-CD2 3.47Å; K229-H263 WeakPolarHBondContact CE-NE2 3.43Å; K229-H263 PolarHBondContact NZ-CD2 2.81Å; K229-H263 PolarHBondContact NZ-NE2 3.38Å
230	R	75.4	Confident	59.5	Low	106 Å²	106	106.5 Å²	106.5	40%	0.4	55%	0.548	S	S	.	.			trans	-65.2	120.4	178.5	177.6	177.3	175.2	-179.9	-0.4	108.8	W209 C227 V232	W209-R230 HydrophobicContact CD2-CB 3.95Å; W209-R230 HydrophobicContact CD2-CG 4Å; W209-R230 HydrophobicContact CE3-CB 3.93Å; W209-R230 HydrophobicContact CE3-CG 4.04Å; W209-R230 HydrophobicContact CG-CB 4.28Å; W209-R230 HydrophobicContact CH2-CG 4.14Å; W209-R230 HydrophobicContact CZ2-CG 4.1Å; W209-R230 HydrophobicContact CZ3-CB 4.41Å; W209-R230 HydrophobicContact CZ3-CG 4.1Å; C227-R230 HydrophobicContact CB-CB 4.2Å; C227-R230 VanDerWaalsContact O-CB 3.24Å; C227-R230 WeakPolarHBondContact O-CB 3.3Å; C227-R230 PolarHBondContact O-N 3.13Å; R230-V232 PolarHBondContact O-N 3.34Å
231	P	59.4	Low	56.7	Low	80 Å²	80	109.5 Å²	109.5	52%	0.519	58%	0.58	S	S	.	*			trans	-57.7	128	172.5	-23.7	34.5	0	0	0	109.8	K229 I233	K229-P231 VanDerWaalsContact O-CD 3.31Å; K229-P231 WeakPolarHBondContact O-CD 3.35Å; P231-I233 PolarHBondContact O-N 3.13Å
232	V	60.1	Low	54.3	Low	128 Å²	128	109.1 Å²	109.1	78%	0.776	59%	0.592	S	S	*	*			trans	-80.2	104.4	166.2	179.9	0	0	0	0	105.9	R230 S234	R230-V232 PolarHBondContact O-N 3.34Å; V232-S234 PolarHBondContact O-N 3.14Å; V232-S234 VanDerWaalsContact O-N 3.08Å
233	I	45.3	Very low	51.6	Low	123 Å²	123	108.6 Å²	108.6	63%	0.631	59%	0.593	S	S	*	*			trans	-74.6	98.6	171.5	-56.8	177.2	0	0	0	106.7	P231 M235	P231-I233 PolarHBondContact O-N 3.13Å; I233-M235 HydrophobicContact CG2-CE 4.49Å; I233-M235 HydrophobicContact CG2-CG 4.18Å; I233-M235 PolarHBondContact O-N 2.95Å
234	S	31.1	Very low	48.9	Very low	110 Å²	110	117.4 Å²	117.4	77%	0.769	63%	0.627	S	S	*	*			trans	-72.1	89.6	173.6	-69.1	0	0	0	0	110.3	V232 G236	V232-S234 PolarHBondContact O-N 3.14Å; V232-S234 VanDerWaalsContact O-N 3.08Å; S234-G236 PolarHBondContact O-N 3.1Å
235	M	35.1	Very low	46.4	Very low	94 Å²	94	121.8 Å²	121.8	46%	0.463	64%	0.642	S	S	.	*			trans	-83	97.5	165	-72.4	174.4	174.8	0	0	109.1	I233 R245	I233-M235 HydrophobicContact CG2-CE 4.49Å; I233-M235 HydrophobicContact CG2-CG 4.18Å; I233-M235 PolarHBondContact O-N 2.95Å; M235-R245 VanDerWaalsContact SD-CD 3.51Å; M235-R245 HydrophobicContact SD-CG 4.49Å
236	G	31.9	Very low	44.2	Very low	56 Å²	56	120.9 Å²	120.9	58%	0.577	65%	0.648	S	S	*	*			trans	-74.4	157.8	175.9	0	0	0	0	0	114.2	S234 I238	S234-G236 PolarHBondContact O-N 3.1Å; G236-I238 PolarHBondContact O-N 2.9Å
237	D	30.6	Very low	41.6	Very low	170 Å²	170	119.2 Å²	119.2	91%	0.909	65%	0.651	S	S	*	*			trans	64.8	39.8	144.5	-47.1	-24.2	0	0	0	120
238	I	32.6	Very low	39.1	Very low	149 Å²	149	125.4 Å²	125.4	76%	0.764	68%	0.684	S	S	*	*			trans	-141.4	131.4	147.3	-47.9	176.6	0	0	0	107.8	G236	G236-I238 PolarHBondContact O-N 2.9Å
239	G	29.8	Very low	36.8	Very low	65 Å²	65	119.1 Å²	119.1	67%	0.67	68%	0.68	S	S	*	*			cis	148.1	56.3	2.1	0	0	0	0	0	112.2
240	H	26.2	Very low	34.6	Very low	198 Å²	198	119.5 Å²	119.5	92%	0.917	69%	0.692	S	S	*	*	S	Bend	trans	64.5	156.3	-174.1	-87.6	-76.4	0	0	0	118.1
241	A	24.6	Very low	32.3	Very low	100 Å²	100	121.5 Å²	121.5	83%	0.826	71%	0.709	S	S	*	*	S	Bend	trans	67.8	163.3	176.4	0	0	0	0	0	117.2
242	S	25.3	Very low	30.7	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	72%	0.722	S	S	*	*	S	Bend	trans	-70.8	163.2	176.1	51.9	0	0	0	0	111.7
243	D	25.6	Very low	29.1	Very low	111 Å²	111	129.2 Å²	129.2	59%	0.594	73%	0.728	S	S	*	*			trans	87.2	146.5	157.3	-44.7	-51	0	0	0	118.7
244	Y	25.1	Very low	28.5	Very low	208 Å²	208	130 Å²	130	82%	0.816	74%	0.739	S	S	*	*			trans	57.1	103.2	171.1	-18	-74.8	0	0	0	118.1
245	R	24.5	Very low	28.7	Very low	170 Å²	170	133.3 Å²	133.3	64%	0.642	74%	0.742	S	S	*	*			trans	-128.3	78.5	157.7	-147	-179.4	-69.4	-160.8	-5.7	111.4	M235	M235-R245 VanDerWaalsContact SD-CD 3.51Å; M235-R245 HydrophobicContact SD-CG 4.49Å
246	C	34.2	Very low	28.6	Very low	107 Å²	107	133.1 Å²	133.1	72%	0.723	74%	0.742	S	S	*	*			trans	-66.3	-177.5	159.7	-68.7	0	0	0	0	110.7
247	L	26	Very low	29.1	Very low	143 Å²	143	135.1 Å²	135.1	75%	0.749	75%	0.748	S	S	*	*			trans	90.8	81.4	-177	-56.7	163.1	0	0	0	114.8
248	N	28.1	Very low	29.6	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	73%	0.734	S	S	*	*			trans	-154.1	42.4	139.5	-96.6	-33.9	0	0	0	110.5
249	G	27.7	Very low	29.9	Very low	82 Å²	82	130.9 Å²	130.9	85%	0.845	72%	0.721	S	S	*	*	S	Bend	trans	-88	11.1	164.8	0	0	0	0	0	112.7
250	S	27.5	Very low	30.6	Very low	80 Å²	80	133.5 Å²	133.5	56%	0.559	72%	0.715	S	S	*	*			trans	-169.7	114.3	178	39.8	0	0	0	0	110.4
251	I	27.3	Very low	31.6	Very low	149 Å²	149	128 Å²	128	76%	0.764	70%	0.695	S	S	*	*				171.6	107.5	120.6	-85.8	161.6	0	0	0	110.3
252	M	25.3	Very low	32.4	Very low	160 Å²	160	127.4 Å²	127.4	79%	0.788	68%	0.678	S	S	*	*			trans	49.8	113.5	133	-43.3	-168.5	93.5	0	0	120.8
253	K	27	Very low	33.5	Very low	209 Å²	209	126.3 Å²	126.3	91%	0.909	66%	0.663	S	S	*	*			trans	15.9	111.2	135.7	-60.5	178.9	178.1	-178.5	0	117.5
254	V	34.1	Very low	34.7	Very low	141 Å²	141	125 Å²	125	86%	0.855	66%	0.655	S	S	*	*			trans	-136.3	140.7	146.9	-174.5	0	0	0	0	107.6
255	E	33.3	Very low	36.3	Very low	178 Å²	178	117.5 Å²	117.5	83%	0.832	63%	0.633	S	S	*	*			trans	-84.6	114.4	-164.7	-70.4	155.9	134.8	0	0	113.6	S257	E255-S257 PolarHBondContact O-N 2.61Å
256	D	35	Very low	37.7	Very low	90 Å²	90	113.2 Å²	113.2	48%	0.481	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	76.1	175.4	-96.2	-1.7	0	0	0	111.5	R208	R208-D256 WeakPolarHBondContact CD-OD2 3.48Å; R208-D256 IonicContact CZ-OD2 3.9Å; R208-D256 IonicContact NE-OD2 2.61Å; R208-D256 IonicContact NH1-OD2 3.5Å; R208-D256 PolarHBondContact NH1-OD2 3.25Å
257	S	41.6	Very low	38.3	Very low	98 Å²	98	116.3 Å²	116.3	69%	0.685	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	-30.9	171.9	-69.4	0	0	0	0	115	E255	E255-S257 PolarHBondContact O-N 2.61Å
258	Q	41.4	Very low	39.5	Very low	132 Å²	132	114.8 Å²	114.8	62%	0.617	61%	0.611	S	S	*	*	S	Bend	trans	-89.5	-38.8	-168	-152.8	65.2	18.8	0	0	114.8	H260 V261	Q258-H260 PolarHBondContact O-N 3.18Å; Q258-V261 WeakPolarHBondContact O-CB 2.95Å; Q258-V261 PolarHBondContact O-N 3.26Å
259	M	38.9	Very low	40.8	Very low	99 Å²	99	110.5 Å²	110.5	49%	0.488	59%	0.59	S	S	.	*	H	α-helix	trans	-68.9	-10.3	-164.4	71.7	-155.4	-56.4	0	0	116.3
260	H	44.5	Very low	41.9	Very low	120 Å²	120	109.4 Å²	109.4	56%	0.556	57%	0.573	S	S	*	*	H	α-helix	trans	-79.7	-25.7	173.2	-161.5	-70.4	0	0	0	111.8	Q258	Q258-H260 PolarHBondContact O-N 3.18Å
261	V	47.6	Very low	42.9	Very low	82 Å²	82	107.6 Å²	107.6	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-74.4	-46.4	-179.6	-173.9	0	0	0	0	110.2	Q258 H263 I264 S265	Q258-V261 WeakPolarHBondContact O-CB 2.95Å; Q258-V261 PolarHBondContact O-N 3.26Å; V261-H263 VanDerWaalsContact C-N 3.25Å; V261-H263 PolarHBondContact O-N 3.35Å; V261-H263 VanDerWaalsContact O-N 3.14Å; V261-I264 PolarHBondContact O-N 2.91Å; V261-S265 WeakPolarHBondContact O-CB 3.47Å; V261-S265 PolarHBondContact O-N 3.17Å
262	D	40.7	Very low	44.2	Very low	87 Å²	87	104.7 Å²	104.7	47%	0.465	54%	0.541	S	S	.	.	H	α-helix	trans	-59.5	-31.6	-174.2	-58.2	-32	0	0	0	114	T266	D262-T266 WeakPolarHBondContact O-CB 3.48Å; D262-T266 WeakPolarHBondContact O-CG2 3.4Å; D262-T266 PolarHBondContact O-N 3.31Å; D262-T266 PolarHBondContact O-OG1 3.47Å
263	H	49.2	Very low	45.5	Very low	68 Å²	68	105.9 Å²	105.9	32%	0.315	54%	0.537	S	S	.	.	H	α-helix	trans	-87.6	-11.7	-179.3	-158.6	-78.8	0	0	0	114	K229 V261 T266	K229-H263 WeakPolarHBondContact CE-CD2 3.47Å; K229-H263 WeakPolarHBondContact CE-NE2 3.43Å; K229-H263 PolarHBondContact NZ-CD2 2.81Å; K229-H263 PolarHBondContact NZ-NE2 3.38Å; V261-H263 VanDerWaalsContact C-N 3.25Å; V261-H263 PolarHBondContact O-N 3.35Å; V261-H263 VanDerWaalsContact O-N 3.14Å; H263-T266 WeakPolarHBondContact CA-OG1 3.06Å
264	I	49.8	Very low	46.5	Very low	83 Å²	83	100 Å²	100	43%	0.426	51%	0.511	S	S	.	.	H	α-helix	trans	-86.5	-48.3	165.9	-64.5	173.9	0	0	0	107.8	V261 T266 R267 Q268	V261-I264 PolarHBondContact O-N 2.91Å; I264-T266 PolarHBondContact O-N 3.26Å; I264-R267 WeakPolarHBondContact O-CB 3.2Å; I264-R267 PolarHBondContact O-N 3.07Å; I264-Q268 HydrophobicContact CG2-CG 4.49Å; I264-Q268 PolarHBondContact O-N 3.32Å
265	S	58.2	Low	47.2	Very low	50 Å²	50	97 Å²	97	35%	0.35	49%	0.489	S	S	.	.	H	α-helix	trans	-50	-54.2	172.9	174.4	0	0	0	0	112.3	V261 R267 Q268 T269	V261-S265 WeakPolarHBondContact O-CB 3.47Å; V261-S265 PolarHBondContact O-N 3.17Å; S265-R267 VanDerWaalsContact C-N 3.25Å; S265-R267 PolarHBondContact O-N 3.18Å; S265-R267 VanDerWaalsContact O-N 3.17Å; S265-Q268 CarbonylContact O-C 3.55Å; S265-Q268 WeakPolarHBondContact O-CB 3.44Å; S265-Q268 PolarHBondContact O-N 2.97Å; S265-T269 PolarHBondContact O-N 3.35Å; S265-T269 PolarHBondContact O-OG1 3.44Å
266	T	54.3	Low	48.2	Very low	81 Å²	81	95 Å²	95	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-28.9	178.9	40.3	0	0	0	0	114.4	D262 H263 I264 A270	D262-T266 WeakPolarHBondContact O-CB 3.48Å; D262-T266 WeakPolarHBondContact O-CG2 3.4Å; D262-T266 PolarHBondContact O-N 3.31Å; D262-T266 PolarHBondContact O-OG1 3.47Å; H263-T266 WeakPolarHBondContact CA-OG1 3.06Å; I264-T266 PolarHBondContact O-N 3.26Å; T266-A270 WeakPolarHBondContact O-CB 3.4Å; T266-A270 PolarHBondContact O-N 2.89Å; T266-A270 VanDerWaalsContact O-N 3.09Å
267	R	47.1	Very low	48.6	Very low	171 Å²	171	91.8 Å²	91.8	65%	0.645	47%	0.47	S	S	*	.	H	α-helix	trans	-75.6	-40.5	173.7	-74.1	178.8	169.5	177.9	-3.2	111.7	I264 S265 A270 F271	I264-R267 WeakPolarHBondContact O-CB 3.2Å; I264-R267 PolarHBondContact O-N 3.07Å; S265-R267 VanDerWaalsContact C-N 3.25Å; S265-R267 PolarHBondContact O-N 3.18Å; S265-R267 VanDerWaalsContact O-N 3.17Å; R267-A270 PolarHBondContact O-N 3.3Å; R267-F271 PolarHBondContact O-N 2.9Å
268	Q	50.8	Low	48.7	Very low	112 Å²	112	90.4 Å²	90.4	52%	0.523	46%	0.459	S	S	.	.	H	α-helix	trans	-64.8	-40.8	172.3	-70.1	168.4	-40.2	0	0	111.3	I264 S265 A270 F271 N272	I264-Q268 HydrophobicContact CG2-CG 4.49Å; I264-Q268 PolarHBondContact O-N 3.32Å; S265-Q268 CarbonylContact O-C 3.55Å; S265-Q268 WeakPolarHBondContact O-CB 3.44Å; S265-Q268 PolarHBondContact O-N 2.97Å; Q268-A270 VanDerWaalsContact C-N 3.34Å; Q268-A270 PolarHBondContact O-N 3.4Å; Q268-F271 WeakPolarHBondContact O-CB 3.45Å; Q268-F271 PolarHBondContact O-N 3.42Å; Q268-N272 WeakPolarHBondContact O-CB 3.41Å; Q268-N272 VanDerWaalsContact O-CG 3.29Å; Q268-N272 PolarHBondContact O-N 3.21Å; Q268-N272 PolarHBondContact O-OD1 3.05Å
269	T	56.6	Low	48.6	Very low	49 Å²	49	85.6 Å²	85.6	30%	0.301	45%	0.445	S	S	.	.	H	α-helix	trans	-62.8	-39.1	174.1	-46.5	0	0	0	0	111.7	S265 F271 R273	S265-T269 PolarHBondContact O-N 3.35Å; S265-T269 PolarHBondContact O-OG1 3.44Å; T269-F271 VanDerWaalsContact C-N 3.35Å; T269-R273 WeakPolarHBondContact O-CB 3.23Å; T269-R273 VanDerWaalsContact O-CG 3.27Å; T269-R273 WeakPolarHBondContact O-CG 3.42Å; T269-R273 PolarHBondContact O-N 3.47Å
270	A	50	Low	48.6	Very low	58 Å²	58	87 Å²	87	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-66.6	-36.4	174.9	0	0	0	0	0	112.3	T266 R267 Q268 F274	T266-A270 WeakPolarHBondContact O-CB 3.4Å; T266-A270 PolarHBondContact O-N 2.89Å; T266-A270 VanDerWaalsContact O-N 3.09Å; R267-A270 PolarHBondContact O-N 3.3Å; Q268-A270 VanDerWaalsContact C-N 3.34Å; Q268-A270 PolarHBondContact O-N 3.4Å; A270-F274 PolarHBondContact O-N 3.39Å
271	F	48.1	Very low	48	Very low	42 Å²	42	83.5 Å²	83.5	18%	0.184	45%	0.447	C	S	.	.	H	α-helix	trans	-68.4	-46	173.4	-175.5	-98.1	0	0	0	111.9	R267 Q268 T269 R273 F274 M275 L322 T326	R267-F271 PolarHBondContact O-N 2.9Å; Q268-F271 WeakPolarHBondContact O-CB 3.45Å; Q268-F271 PolarHBondContact O-N 3.42Å; T269-F271 VanDerWaalsContact C-N 3.35Å; F271-R273 VanDerWaalsContact C-N 3.33Å; F271-R273 PolarHBondContact O-N 3.09Å; F271-F274 WeakPolarHBondContact O-CA 3.3Å; F271-F274 WeakPolarHBondContact O-CB 3.06Å; F271-F274 PolarHBondContact O-N 3.04Å; F271-M275 HydrophobicContact CD1-CG 4.08Å; F271-M275 HydrophobicContact CE1-CG 3.75Å; F271-M275 HydrophobicContact CE1-SD 4.3Å; F271-M275 HydrophobicContact CZ-CG 4.14Å; F271-M275 HydrophobicContact CZ-SD 4.18Å; F271-M275 WeakPolarHBondContact O-CG 3.42Å; F271-M275 PolarHBondContact O-N 2.89Å; F271-L322 HydrophobicContact CZ-CD2 4.47Å; F271-T326 HydrophobicContact CD1-CG2 4.35Å; F271-T326 HydrophobicContact CE1-CG2 3.6Å; F271-T326 HydrophobicContact CZ-CG2 4.22Å
272	N	55.3	Low	47.3	Very low	88 Å²	88	88 Å²	88	47%	0.471	46%	0.46	S	S	.	.	H	α-helix	trans	-63.5	-37.2	176.7	-68.4	-2.5	0	0	0	111.9	Q268 F274 M275 N276	Q268-N272 WeakPolarHBondContact O-CB 3.41Å; Q268-N272 VanDerWaalsContact O-CG 3.29Å; Q268-N272 PolarHBondContact O-N 3.21Å; Q268-N272 PolarHBondContact O-OD1 3.05Å; N272-F274 VanDerWaalsContact C-N 3.26Å; N272-F274 PolarHBondContact O-N 2.72Å; N272-M275 PolarHBondContact O-N 3.42Å; N272-N276 VanDerWaalsContact O-CB 3.29Å; N272-N276 WeakPolarHBondContact O-CB 3.41Å; N272-N276 PolarHBondContact O-N 3.08Å; N272-N276 PolarHBondContact O-ND2 3.32Å
273	R	52.9	Low	46.8	Very low	185 Å²	185	89.7 Å²	89.7	70%	0.698	47%	0.474	S	S	*	.	H	α-helix	trans	-64.8	-28.4	171.7	-77.8	174	179	152.4	1.5	113.4	T269 F271 A277	T269-R273 WeakPolarHBondContact O-CB 3.23Å; T269-R273 VanDerWaalsContact O-CG 3.27Å; T269-R273 WeakPolarHBondContact O-CG 3.42Å; T269-R273 PolarHBondContact O-N 3.47Å; F271-R273 VanDerWaalsContact C-N 3.33Å; F271-R273 PolarHBondContact O-N 3.09Å; R273-A277 PolarHBondContact O-N 2.93Å
274	F	48	Very low	46.2	Very low	85 Å²	85	95 Å²	95	37%	0.373	50%	0.499	S	S	.	.	H	α-helix	trans	-77.1	-43	173.6	171.4	-105.7	0	0	0	111.5	A270 F271 N272 N276 A277 F338	A270-F274 PolarHBondContact O-N 3.39Å; F271-F274 WeakPolarHBondContact O-CA 3.3Å; F271-F274 WeakPolarHBondContact O-CB 3.06Å; F271-F274 PolarHBondContact O-N 3.04Å; N272-F274 VanDerWaalsContact C-N 3.26Å; N272-F274 PolarHBondContact O-N 2.72Å; F274-N276 VanDerWaalsContact C-N 3.25Å; F274-N276 PolarHBondContact O-N 2.92Å; F274-A277 VanDerWaalsContact O-CB 3.25Å; F274-A277 WeakPolarHBondContact O-CB 3.43Å; F274-A277 PolarHBondContact O-N 3.26Å; F274-A277 VanDerWaalsContact O-N 3.14Å; F274-F338 HydrophobicContact CD1-CE2 4.18Å; F274-F338 HydrophobicContact CD1-CZ 4.25Å; F274-F338 HydrophobicContact CD2-CE2 4.44Å; F274-F338 AromaticContact CD2-CZ 3.83Å; F274-F338 HydrophobicContact CD2-CZ 3.83Å; F274-F338 AromaticContact CE1-CE2 3.9Å; F274-F338 HydrophobicContact CE1-CE2 3.9Å; F274-F338 AromaticContact CE1-CZ 3.78Å; F274-F338 HydrophobicContact CE1-CZ 3.78Å; F274-F338 AromaticContact CE2-CE1 3.93Å; F274-F338 HydrophobicContact CE2-CE1 3.93Å; F274-F338 HydrophobicContact CE2-CE2 4.2Å; F274-F338 AromaticContact CE2-CZ 3.33Å; F274-F338 HydrophobicContact CE2-CZ 3.33Å; F274-F338 HydrophobicContact CG-CE2 4.44Å; F274-F338 HydrophobicContact CG-CZ 4.27Å; F274-F338 AromaticContact CZ-CE1 3.76Å; F274-F338 HydrophobicContact CZ-CE1 3.76Å; F274-F338 AromaticContact CZ-CE2 3.91Å; F274-F338 HydrophobicContact CZ-CE2 3.91Å; F274-F338 AromaticContact CZ-CZ 3.29Å; F274-F338 HydrophobicContact CZ-CZ 3.29Å
275	M	47.7	Very low	45.2	Very low	80 Å²	80	99.2 Å²	99.2	39%	0.394	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-33.6	173.8	-70.3	-64.3	-68.8	0	0	112.7	F271 N272 A277 L322	F271-M275 HydrophobicContact CD1-CG 4.08Å; F271-M275 HydrophobicContact CE1-CG 3.75Å; F271-M275 HydrophobicContact CE1-SD 4.3Å; F271-M275 HydrophobicContact CZ-CG 4.14Å; F271-M275 HydrophobicContact CZ-SD 4.18Å; F271-M275 WeakPolarHBondContact O-CG 3.42Å; F271-M275 PolarHBondContact O-N 2.89Å; N272-M275 PolarHBondContact O-N 3.42Å; M275-A277 VanDerWaalsContact C-N 3.33Å; M275-L322 HydrophobicContact CE-CB 4.26Å; M275-L322 HydrophobicContact CE-CD1 3.75Å; M275-L322 HydrophobicContact SD-CD1 3.91Å; M275-L322 HydrophobicContact SD-CD2 4.37Å
276	N	53.7	Low	43.8	Very low	136 Å²	136	104.5 Å²	104.5	73%	0.727	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	14.5	178.1	-60.7	-9.7	0	0	0	113.1	N272 F274	N272-N276 VanDerWaalsContact O-CB 3.29Å; N272-N276 WeakPolarHBondContact O-CB 3.41Å; N272-N276 PolarHBondContact O-N 3.08Å; N272-N276 PolarHBondContact O-ND2 3.32Å; F274-N276 VanDerWaalsContact C-N 3.25Å; F274-N276 PolarHBondContact O-N 2.92Å
277	A	43.9	Very low	42.7	Very low	22 Å²	22	104.9 Å²	104.9	18%	0.182	55%	0.552	C	S	.	*	S	Bend	trans	-80.8	132.8	177.8	0	0	0	0	0	110.7	R273 F274 M275 G279 F354	R273-A277 PolarHBondContact O-N 2.93Å; F274-A277 VanDerWaalsContact O-CB 3.25Å; F274-A277 WeakPolarHBondContact O-CB 3.43Å; F274-A277 PolarHBondContact O-N 3.26Å; F274-A277 VanDerWaalsContact O-N 3.14Å; M275-A277 VanDerWaalsContact C-N 3.33Å; A277-G279 PolarHBondContact O-N 3.46Å; A277-F354 HydrophobicContact CB-CD2 4.44Å
278	P	43.3	Very low	41.7	Very low	69 Å²	69	103.3 Å²	103.3	45%	0.448	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	125.1	177.3	29.7	-35.2	0	0	0	109.5	L352	P278-L352 HydrophobicContact CB-CB 3.94Å; P278-L352 HydrophobicContact CB-CD1 3.89Å; P278-L352 HydrophobicContact CB-CD2 4.22Å; P278-L352 HydrophobicContact CB-CG 4.22Å; P278-L352 WeakPolarHBondContact O-CB 3.39Å
279	G	40.6	Very low	40.6	Very low	31 Å²	31	104.2 Å²	104.2	32%	0.32	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	148.5	-5	-175	0	0	0	0	0	115.4	A277 L352	A277-G279 PolarHBondContact O-N 3.46Å; G279-L352 VanDerWaalsContact N-CD1 3.33Å
280	V	38.1	Very low	39.4	Very low	128 Å²	128	107.6 Å²	107.6	78%	0.776	58%	0.581	S	S	*	*			trans	-107.2	84.6	175.2	-170.3	0	0	0	0	108.4
281	S	32.7	Very low	38.3	Very low	46 Å²	46	111.8 Å²	111.8	32%	0.322	59%	0.594	S	S	.	*			trans	-104.3	109	-172.1	-52.5	0	0	0	0	111.9
282	F	32.6	Very low	37.4	Very low	176 Å²	176	116.4 Å²	116.4	77%	0.772	62%	0.619	S	S	*	*			trans	-77.5	138.5	158.2	-106.8	-106.7	0	0	0	108.8
283	T	31	Very low	36.1	Very low	124 Å²	124	119.9 Å²	119.9	76%	0.761	63%	0.632	S	S	*	*			trans	-144.9	124.4	177.2	54.6	0	0	0	0	111.8
284	Q	35.1	Very low	34.8	Very low	178 Å²	178	118.3 Å²	118.3	83%	0.832	64%	0.638	S	S	*	*			trans	-146.5	120.3	155.8	-166.1	162.1	-1.9	0	0	108.3
285	E	30	Very low	34.2	Very low	172 Å²	172	121 Å²	121	80%	0.804	66%	0.661	S	S	*	*			trans	-99.3	170.6	175.8	-69.4	-175.1	144.2	0	0	110.8
286	L	29	Very low	33.7	Very low	162 Å²	162	122.4 Å²	122.4	85%	0.848	68%	0.676	S	S	*	*			trans	76.1	92.6	166.8	-59.5	125.3	0	0	0	117.9
287	A	29.6	Very low	32.8	Very low	88 Å²	88	121.7 Å²	121.7	73%	0.727	68%	0.676	S	S	*	*				-157.6	124.6	113.2	0	0	0	0	0	110.7
288	N	27.5	Very low	32.6	Very low	138 Å²	138	128.5 Å²	128.5	74%	0.738	71%	0.708	S	S	*	*			trans	23.7	119.7	136.7	-51.7	2	0	0	0	115.9
289	D	27.5	Very low	32.2	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	72%	0.721	S	S	*	*			cis	-171.9	158.7	48.1	-108.3	-28.6	0	0	0	112.2
290	N	30.1	Very low	32.2	Very low	120 Å²	120	134.2 Å²	134.2	64%	0.642	74%	0.744	S	S	*	*			trans	58.6	103.9	154	-61.3	-41.5	0	0	0	119
291	I	28.6	Very low	32.2	Very low	146 Å²	146	134.5 Å²	134.5	75%	0.749	74%	0.741	S	S	*	*				51.7	93.1	112.2	-58.3	158.8	0	0	0	114.9
292	I	27.9	Very low	32.3	Very low	140 Å²	140	136.5 Å²	136.5	72%	0.718	76%	0.76	S	S	*	*				178.8	107.2	124.3	-88	148.6	0	0	0	109.4
293	Q	28.6	Very low	33	Very low	161 Å²	161	132.7 Å²	132.7	75%	0.752	76%	0.762	S	S	*	*			trans	40.5	101.7	137.1	-54.3	165.8	-11.8	0	0	118.9
294	N	26.3	Very low	33.8	Very low	152 Å²	152	132.9 Å²	132.9	81%	0.813	76%	0.758	S	S	*	*	S	Bend	trans	66.4	91.9	150.5	-47	-46.7	0	0	0	119
295	V	35.3	Very low	34.2	Very low	142 Å²	142	128.2 Å²	128.2	86%	0.861	74%	0.744	S	S	*	*			trans	77.4	149.7	149.2	-178.7	0	0	0	0	117
296	P	35.8	Very low	35.7	Very low	109 Å²	109	124 Å²	124	71%	0.708	73%	0.733	S	S	*	*			cis	-137.8	-160.9	-12.6	41.2	-20.1	0	0	0	117.3
297	V	35.2	Very low	37.4	Very low	121 Å²	121	116.9 Å²	116.9	73%	0.733	70%	0.696	S	S	*	*			trans	82.1	117.5	147.1	166	0	0	0	0	123.3
298	I	40.5	Very low	39.2	Very low	164 Å²	164	117.1 Å²	117.1	84%	0.841	69%	0.689	S	S	*	*			trans	51.7	136.8	141.5	-55.8	172.4	0	0	0	124.8
299	G	35.3	Very low	41.3	Very low	70 Å²	70	111 Å²	111	72%	0.722	66%	0.657	S	S	*	*			trans	167.9	146.4	153.8	0	0	0	0	0	118
300	D	40.3	Very low	43.2	Very low	150 Å²	150	109.7 Å²	109.7	80%	0.802	65%	0.649	S	S	*	*			trans	-97.9	170	-171.7	-56.4	-73.3	0	0	0	115.5
301	D	36.7	Very low	45.2	Very low	135 Å²	135	104.8 Å²	104.8	72%	0.722	62%	0.624	S	S	*	*				-178.9	165.6	71.8	-135.2	-25.2	0	0	0	117.4
302	A	36.1	Very low	47.2	Very low	87 Å²	87	104.1 Å²	104.1	72%	0.719	63%	0.627	S	S	*	*			trans	77.2	107.9	155.9	0	0	0	0	0	126.7
303	A	47.5	Very low	49.4	Very low	97 Å²	97	102.3 Å²	102.3	80%	0.802	62%	0.615	S	S	*	*			trans	-173.9	127.6	134.9	0	0	0	0	0	113.6
304	N	46.2	Very low	51.5	Low	127 Å²	127	98.5 Å²	98.5	68%	0.679	61%	0.607	S	S	*	*			trans	-86	135.5	-167.5	-75.2	-39.8	0	0	0	116.2
305	C	44.8	Very low	53.6	Low	80 Å²	80	92.8 Å²	92.8	54%	0.541	58%	0.575	S	S	.	*			trans	-158.9	129.2	160.2	-99.4	0	0	0	0	110.4	L316 R344	C305-L316 CarbonylContact C-O 3.49Å; C305-L316 PolarHBondContact N-O 3.09Å; C305-L316 CarbonylContact O-C 3.52Å; C305-L316 VanDerWaalsContact O-C 3.25Å; C305-R344 PolarHBondContact O-NH1 2.86Å; C305-R344 PolarHBondContact O-NH2 3.33Å
306	S	61.2	Low	55	Low	83 Å²	83	91 Å²	91	58%	0.58	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-80.3	121.2	-173	46.3	0	0	0	0	114.5	F315	S306-F315 CarbonylContact C-O 3.25Å; S306-F315 VanDerWaalsContact CA-O 3.26Å; S306-F315 WeakPolarHBondContact CA-O 3.34Å
307	L	63.7	Low	56.1	Low	13 Å²	13	88.7 Å²	88.7	7%	0.068	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.3	164.7	-68.8	114.8	0	0	0	110.1	S314 F315 N317 V318 Y321 L341 R344	L307-S314 CarbonylContact O-C 3.5Å; L307-S314 VanDerWaalsContact O-CA 3.27Å; L307-S314 WeakPolarHBondContact O-CA 3.49Å; L307-F315 PolarHBondContact N-O 2.81Å; L307-F315 PolarHBondContact O-N 3.13Å; L307-N317 WeakPolarHBondContact CD1-O 3.29Å; L307-V318 HydrophobicContact CD1-CG2 4.08Å; L307-Y321 HydrophobicContact CB-CD2 3.51Å; L307-Y321 HydrophobicContact CB-CE2 4.19Å; L307-Y321 HydrophobicContact CB-CG 3.79Å; L307-Y321 HydrophobicContact CD1-CG 4.31Å; L307-Y321 HydrophobicContact CD2-CD1 3.91Å; L307-Y321 HydrophobicContact CD2-CD2 4.15Å; L307-Y321 HydrophobicContact CD2-CE1 4.29Å; L307-Y321 HydrophobicContact CD2-CE2 4.49Å; L307-Y321 HydrophobicContact CD2-CG 3.84Å; L307-Y321 HydrophobicContact CG-CD2 4.34Å; L307-Y321 HydrophobicContact CG-CG 4.18Å; L307-L341 HydrophobicContact CD2-CD1 4.19Å; L307-R344 VanDerWaalsContact CG-NH1 3.33Å
308	T	68.2	Low	57.4	Low	94 Å²	94	85.2 Å²	85.2	58%	0.577	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.4	174.4	49.5	0	0	0	0	111.5	E313	T308-E313 WeakPolarHBondContact CA-O 3.48Å
309	C	71.4	Confident	58.5	Low	10 Å²	10	81 Å²	81	7%	0.068	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-92.6	159.6	174.6	-172.4	0	0	0	0	112.4	C311 T312 E313 F315 Y321 H324	C309-C311 PolarHBondContact O-N 3.36Å; C309-T312 WeakPolarHBondContact O-CA 3.46Å; C309-T312 PolarHBondContact O-N 2.65Å; C309-E313 PolarHBondContact N-O 3.05Å; C309-F315 HydrophobicContact CB-CE2 4.19Å; C309-Y321 HydrophobicContact CB-CE2 4.12Å; C309-H324 VanDerWaalsContact SG-CD2 3.5Å; C309-H324 PolarHBondContact SG-NE2 3.28Å
310	L	68.2	Low	60	Low	103 Å²	103	79.7 Å²	79.7	54%	0.539	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-12	172	-65.9	170.3	0	0	0	113.8	K330	L310-K330 HydrophobicContact CB-CB 4.45Å
311	C	71.5	Confident	61.5	Low	16 Å²	16	72.6 Å²	72.6	11%	0.108	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.5	169.8	68.3	0	0	0	0	115.7	C309 E313 H324 K330	C309-C311 PolarHBondContact O-N 3.36Å; C311-E313 VanDerWaalsContact SG-CB 3.56Å; C311-E313 PolarHBondContact SG-N 3.29Å; C311-H324 PolarHBondContact SG-CE1 3.36Å; C311-H324 PolarHBondContact SG-NE2 3.08Å; C311-K330 VanDerWaalsContact CA-CD 3.47Å; C311-K330 HydrophobicContact CB-CD 3.78Å
312	T	71.2	Confident	62.9	Low	132 Å²	132	67.1 Å²	67.1	81%	0.81	42%	0.416	S	S	*	.	S	Bend	trans	75	14.4	-170.1	74	0	0	0	0	116.8	C309	C309-T312 WeakPolarHBondContact O-CA 3.46Å; C309-T312 PolarHBondContact O-N 2.65Å
313	E	73.2	Confident	64.5	Low	102 Å²	102	68.8 Å²	68.8	48%	0.477	41%	0.409	S	S	.	.			trans	-85.9	149.4	168.1	-67	171.1	-162	0	0	111.7	T308 C309 C311 F315 H324	T308-E313 WeakPolarHBondContact CA-O 3.48Å; C309-E313 PolarHBondContact N-O 3.05Å; C311-E313 VanDerWaalsContact SG-CB 3.56Å; C311-E313 PolarHBondContact SG-N 3.29Å; E313-F315 HydrophobicContact CB-CE2 3.66Å; E313-F315 HydrophobicContact CB-CZ 3.53Å; E313-F315 WeakPolarHBondContact OE2-CZ 3.25Å; E313-H324 IonicContact OE2-CE1 3.94Å; E313-H324 PolarHBondContact OE2-CE1 2.87Å; E313-H324 IonicContact OE2-CG 2.98Å; E313-H324 IonicContact OE2-ND1 2.87Å; E313-H324 PolarHBondContact OE2-ND1 3.17Å
314	S	73.2	Confident	65.7	Low	82 Å²	82	65.1 Å²	65.1	57%	0.573	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.1	-176.9	61.2	0	0	0	0	112.7	L307	L307-S314 CarbonylContact O-C 3.5Å; L307-S314 VanDerWaalsContact O-CA 3.27Å; L307-S314 WeakPolarHBondContact O-CA 3.49Å
315	F	70.1	Confident	66.8	Low	31 Å²	31	59.7 Å²	59.7	14%	0.136	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.8	-170.9	-56.5	-83.3	0	0	0	111.3	S306 L307 C309 E313 N317 S320 Y321 H324	S306-F315 CarbonylContact C-O 3.25Å; S306-F315 VanDerWaalsContact CA-O 3.26Å; S306-F315 WeakPolarHBondContact CA-O 3.34Å; L307-F315 PolarHBondContact N-O 2.81Å; L307-F315 PolarHBondContact O-N 3.13Å; C309-F315 HydrophobicContact CB-CE2 4.19Å; E313-F315 HydrophobicContact CB-CE2 3.66Å; E313-F315 HydrophobicContact CB-CZ 3.53Å; E313-F315 WeakPolarHBondContact OE2-CZ 3.25Å; F315-N317 PolarHBondContact O-N 3Å; F315-S320 WeakPolarHBondContact CD1-O 3.29Å; F315-Y321 AromaticContact CD2-CD2 3.98Å; F315-Y321 HydrophobicContact CD2-CD2 3.98Å; F315-H324 HydrophobicContact CD1-CB 4.36Å; F315-H324 HydrophobicContact CE1-CB 3.63Å; F315-H324 AromaticContact CE1-CG 3.95Å; F315-H324 HydrophobicContact CE2-CB 3.85Å; F315-H324 AromaticContact CE2-CD2 3.72Å; F315-H324 AromaticContact CE2-CG 3.55Å; F315-H324 HydrophobicContact CZ-CB 3.36Å; F315-H324 AromaticContact CZ-CD2 3.81Å; F315-H324 AromaticContact CZ-CG 3.16Å; F315-H324 AromaticContact CZ-ND1 3.34Å; F315-H324 VanDerWaalsContact CZ-ND1 3.34Å; F315-H324 WeakPolarHBondContact CZ-ND1 3.49Å
316	L	63.8	Low	67.8	Low	104 Å²	104	60.1 Å²	60.1	55%	0.545	35%	0.348	S	S	.	.	S	Bend	trans	-69.6	-14.6	-173.3	-69	166.2	0	0	0	114.7	C305	C305-L316 CarbonylContact C-O 3.49Å; C305-L316 PolarHBondContact N-O 3.09Å; C305-L316 CarbonylContact O-C 3.52Å; C305-L316 VanDerWaalsContact O-C 3.25Å
317	N	60.1	Low	68.2	Low	62 Å²	62	62.4 Å²	62.4	33%	0.332	35%	0.353	S	S	.	.	S	Bend	trans	-137.8	160.4	-170.6	64	9.4	0	0	0	110.5	L307 F315 S320	L307-N317 WeakPolarHBondContact CD1-O 3.29Å; F315-N317 PolarHBondContact O-N 3Å; N317-S320 PolarHBondContact ND2-OG 2.9Å; N317-S320 WeakPolarHBondContact OD1-CA 3.46Å; N317-S320 WeakPolarHBondContact OD1-CB 3.37Å; N317-S320 PolarHBondContact OD1-N 3.46Å; N317-S320 PolarHBondContact OD1-OG 2.92Å
318	V	61.4	Low	68.4	Low	47 Å²	47	62.4 Å²	62.4	29%	0.285	35%	0.353	S	S	.	.	H	α-helix	trans	-67.2	-39.4	175.4	176.9	0	0	0	0	112.4	L307 Y321 L322 L341	L307-V318 HydrophobicContact CD1-CG2 4.08Å; V318-Y321 PolarHBondContact O-N 3.47Å; V318-L322 HydrophobicContact CG1-CD1 3.6Å; V318-L322 HydrophobicContact CG1-CG 4.21Å; V318-L322 WeakPolarHBondContact O-CG 3.48Å; V318-L322 PolarHBondContact O-N 2.7Å; V318-L341 HydrophobicContact CG1-CD2 4.43Å
319	P	64	Low	68.4	Low	77 Å²	77	64.1 Å²	64.1	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-57.2	-53.1	177.7	-29.8	38.2	0	0	0	115.1	Y321 L322 E323	P319-Y321 VanDerWaalsContact C-N 3.29Å; P319-Y321 PolarHBondContact O-N 3.31Å; P319-L322 PolarHBondContact O-N 3.11Å; P319-E323 PolarHBondContact O-N 3.29Å
320	S	67.5	Low	67.9	Low	41 Å²	41	69.1 Å²	69.1	29%	0.287	39%	0.386	S	S	.	.	H	α-helix	trans	-70.4	-26	-177	-52.8	0	0	0	0	112.5	F315 N317 H324	F315-S320 WeakPolarHBondContact CD1-O 3.29Å; N317-S320 PolarHBondContact ND2-OG 2.9Å; N317-S320 WeakPolarHBondContact OD1-CA 3.46Å; N317-S320 WeakPolarHBondContact OD1-CB 3.37Å; N317-S320 PolarHBondContact OD1-N 3.46Å; N317-S320 PolarHBondContact OD1-OG 2.92Å; S320-H324 WeakPolarHBondContact O-CB 3.48Å; S320-H324 PolarHBondContact O-N 2.95Å
321	Y	72.4	Confident	67.6	Low	2 Å²	2	65.4 Å²	65.4	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-65	-41	167.5	175.6	-94.6	0	0	0	112.2	L307 C309 F315 V318 P319 A325 V337 N340 L341	L307-Y321 HydrophobicContact CB-CD2 3.51Å; L307-Y321 HydrophobicContact CB-CE2 4.19Å; L307-Y321 HydrophobicContact CB-CG 3.79Å; L307-Y321 HydrophobicContact CD1-CG 4.31Å; L307-Y321 HydrophobicContact CD2-CD1 3.91Å; L307-Y321 HydrophobicContact CD2-CD2 4.15Å; L307-Y321 HydrophobicContact CD2-CE1 4.29Å; L307-Y321 HydrophobicContact CD2-CE2 4.49Å; L307-Y321 HydrophobicContact CD2-CG 3.84Å; L307-Y321 HydrophobicContact CG-CD2 4.34Å; L307-Y321 HydrophobicContact CG-CG 4.18Å; C309-Y321 HydrophobicContact CB-CE2 4.12Å; F315-Y321 AromaticContact CD2-CD2 3.98Å; F315-Y321 HydrophobicContact CD2-CD2 3.98Å; V318-Y321 PolarHBondContact O-N 3.47Å; P319-Y321 VanDerWaalsContact C-N 3.29Å; P319-Y321 PolarHBondContact O-N 3.31Å; Y321-A325 VanDerWaalsContact O-CB 3.24Å; Y321-A325 WeakPolarHBondContact O-CB 3.27Å; Y321-A325 PolarHBondContact O-N 3.05Å; Y321-V337 HydrophobicContact CE1-CG1 4.14Å; Y321-N340 VanDerWaalsContact OH-CB 3.29Å; Y321-N340 WeakPolarHBondContact OH-CB 3.26Å; Y321-N340 PolarHBondContact OH-ND2 3.03Å; Y321-N340 VanDerWaalsContact OH-ND2 3.13Å; Y321-L341 HydrophobicContact CD1-CD1 3.6Å; Y321-L341 HydrophobicContact CE1-CD1 3.47Å; Y321-L341 VanDerWaalsContact CE1-CD1 3.47Å
322	L	66.1	Low	66.6	Low	19 Å²	19	70.9 Å²	70.9	10%	0.099	40%	0.401	C	S	.	.	H	α-helix	trans	-71.9	-41	179.5	-71.9	169.9	0	0	0	111.6	F271 M275 V318 P319 A325 T326 V337 L341	F271-L322 HydrophobicContact CZ-CD2 4.47Å; M275-L322 HydrophobicContact CE-CB 4.26Å; M275-L322 HydrophobicContact CE-CD1 3.75Å; M275-L322 HydrophobicContact SD-CD1 3.91Å; M275-L322 HydrophobicContact SD-CD2 4.37Å; V318-L322 HydrophobicContact CG1-CD1 3.6Å; V318-L322 HydrophobicContact CG1-CG 4.21Å; V318-L322 WeakPolarHBondContact O-CG 3.48Å; V318-L322 PolarHBondContact O-N 2.7Å; P319-L322 PolarHBondContact O-N 3.11Å; L322-A325 PolarHBondContact O-N 3.47Å; L322-T326 WeakPolarHBondContact O-CG2 3.36Å; L322-T326 PolarHBondContact O-N 2.8Å; L322-T326 VanDerWaalsContact O-N 3.13Å; L322-V337 HydrophobicContact CD2-CG1 3.81Å; L322-L341 HydrophobicContact CD1-CD2 4.33Å; L322-L341 HydrophobicContact CD2-CD1 4.16Å; L322-L341 HydrophobicContact CD2-CD2 4.01Å
323	E	68.5	Low	65.8	Low	123 Å²	123	67.1 Å²	67.1	58%	0.575	38%	0.38	S	S	*	.	H	α-helix	trans	-55.4	-54	170.3	-178	175.9	-157.6	0	0	110.7	P319 A325 T326	P319-E323 PolarHBondContact O-N 3.29Å; E323-A325 VanDerWaalsContact C-N 3.31Å; E323-A325 PolarHBondContact O-N 3.29Å; E323-T326 PolarHBondContact O-N 3.02Å; E323-T326 PolarHBondContact O-OG1 3.21Å
324	H	72.2	Confident	64.9	Low	20 Å²	20	64.8 Å²	64.8	9%	0.093	38%	0.378	C	S	.	.	H	α-helix	trans	-55.8	-43.1	173.8	172.7	84.7	0	0	0	112.6	C309 C311 E313 F315 S320 T326 I327 C328	C309-H324 VanDerWaalsContact SG-CD2 3.5Å; C309-H324 PolarHBondContact SG-NE2 3.28Å; C311-H324 PolarHBondContact SG-CE1 3.36Å; C311-H324 PolarHBondContact SG-NE2 3.08Å; E313-H324 IonicContact OE2-CE1 3.94Å; E313-H324 PolarHBondContact OE2-CE1 2.87Å; E313-H324 IonicContact OE2-CG 2.98Å; E313-H324 IonicContact OE2-ND1 2.87Å; E313-H324 PolarHBondContact OE2-ND1 3.17Å; F315-H324 HydrophobicContact CD1-CB 4.36Å; F315-H324 HydrophobicContact CE1-CB 3.63Å; F315-H324 AromaticContact CE1-CG 3.95Å; F315-H324 HydrophobicContact CE2-CB 3.85Å; F315-H324 AromaticContact CE2-CD2 3.72Å; F315-H324 AromaticContact CE2-CG 3.55Å; F315-H324 HydrophobicContact CZ-CB 3.36Å; F315-H324 AromaticContact CZ-CD2 3.81Å; F315-H324 AromaticContact CZ-CG 3.16Å; F315-H324 AromaticContact CZ-ND1 3.34Å; F315-H324 VanDerWaalsContact CZ-ND1 3.34Å; F315-H324 WeakPolarHBondContact CZ-ND1 3.49Å; S320-H324 WeakPolarHBondContact O-CB 3.48Å; S320-H324 PolarHBondContact O-N 2.95Å; H324-T326 PolarHBondContact O-N 3.19Å; H324-I327 PolarHBondContact O-N 3.35Å; H324-C328 VanDerWaalsContact NE2-CB 3.26Å; H324-C328 WeakPolarHBondContact NE2-CB 3.39Å; H324-C328 PolarHBondContact NE2-SG 2.89Å; H324-C328 VanDerWaalsContact O-CB 3.23Å; H324-C328 WeakPolarHBondContact O-CB 3.47Å; H324-C328 PolarHBondContact O-N 3.36Å
325	A	70.4	Confident	63.9	Low	13 Å²	13	64.7 Å²	64.7	11%	0.107	38%	0.378	C	S	.	.	H	α-helix	trans	-64.7	-18.1	179.4	0	0	0	0	0	113.9	Y321 L322 E323 V331 V337	Y321-A325 VanDerWaalsContact O-CB 3.24Å; Y321-A325 WeakPolarHBondContact O-CB 3.27Å; Y321-A325 PolarHBondContact O-N 3.05Å; L322-A325 PolarHBondContact O-N 3.47Å; E323-A325 VanDerWaalsContact C-N 3.31Å; E323-A325 PolarHBondContact O-N 3.29Å; A325-V331 HydrophobicContact CB-CG2 4.48Å; A325-V337 HydrophobicContact CB-CG2 4.06Å
326	T	65.1	Low	63.1	Low	89 Å²	89	64.1 Å²	64.1	55%	0.546	38%	0.377	S	S	.	.	H	α-helix	trans	-80.4	-23.4	170.7	68.2	0	0	0	0	114	F271 L322 E323 H324	F271-T326 HydrophobicContact CD1-CG2 4.35Å; F271-T326 HydrophobicContact CE1-CG2 3.6Å; F271-T326 HydrophobicContact CZ-CG2 4.22Å; L322-T326 WeakPolarHBondContact O-CG2 3.36Å; L322-T326 PolarHBondContact O-N 2.8Å; L322-T326 VanDerWaalsContact O-N 3.13Å; E323-T326 PolarHBondContact O-N 3.02Å; E323-T326 PolarHBondContact O-OG1 3.21Å; H324-T326 PolarHBondContact O-N 3.19Å
327	I	70.1	Confident	62.8	Low	131 Å²	131	59.5 Å²	59.5	67%	0.672	35%	0.354	S	S	*	.	H	α-helix	trans	-101.4	-27.5	-175.6	-57	168.6	0	0	0	111.3	H324 P329	H324-I327 PolarHBondContact O-N 3.35Å; I327-P329 WeakPolarHBondContact O-CD 3.22Å
328	C	68.8	Low	62.5	Low	13 Å²	13	60.5 Å²	60.5	9%	0.088	36%	0.355	C	S	.	.			trans	-71.1	116.9	-167.9	-173.9	0	0	0	0	114.4	H324 K330 V331	H324-C328 VanDerWaalsContact NE2-CB 3.26Å; H324-C328 WeakPolarHBondContact NE2-CB 3.39Å; H324-C328 PolarHBondContact NE2-SG 2.89Å; H324-C328 VanDerWaalsContact O-CB 3.23Å; H324-C328 WeakPolarHBondContact O-CB 3.47Å; H324-C328 PolarHBondContact O-N 3.36Å; C328-K330 PolarHBondContact O-N 3.14Å; C328-K330 VanDerWaalsContact O-N 3.13Å; C328-V331 HydrophobicContact CB-CB 4.37Å; C328-V331 HydrophobicContact CB-CG2 3.81Å; C328-V331 PolarHBondContact O-N 3.4Å; C328-V331 VanDerWaalsContact O-N 3.14Å
329	P	66.9	Low	62.2	Low	129 Å²	129	64.9 Å²	64.9	84%	0.838	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.8	179.8	29.9	-36.3	0	0	0	113.9	I327	I327-P329 WeakPolarHBondContact O-CD 3.22Å
330	K	61.9	Low	61.6	Low	115 Å²	115	63.9 Å²	63.9	50%	0.5	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-8.1	176.1	-69.5	170.6	174.3	178.3	0	113.1	L310 C311 C328 V332	L310-K330 HydrophobicContact CB-CB 4.45Å; C311-K330 VanDerWaalsContact CA-CD 3.47Å; C311-K330 HydrophobicContact CB-CD 3.78Å; C328-K330 PolarHBondContact O-N 3.14Å; C328-K330 VanDerWaalsContact O-N 3.13Å; K330-V332 PolarHBondContact O-N 3.37Å
331	V	61	Low	61	Low	26 Å²	26	63.4 Å²	63.4	16%	0.158	36%	0.357	C	S	.	.			trans	-84.6	98.8	173	175.6	0	0	0	0	108.9	A325 C328 S333 V337	A325-V331 HydrophobicContact CB-CG2 4.48Å; C328-V331 HydrophobicContact CB-CB 4.37Å; C328-V331 HydrophobicContact CB-CG2 3.81Å; C328-V331 PolarHBondContact O-N 3.4Å; C328-V331 VanDerWaalsContact O-N 3.14Å; V331-S333 PolarHBondContact O-N 3.01Å; V331-V337 HydrophobicContact CG1-CG2 3.53Å
332	V	50.5	Low	60.2	Low	131 Å²	131	65.7 Å²	65.7	79%	0.794	38%	0.376	S	S	*	.			trans	-80.3	-16.8	-168.5	-168.7	0	0	0	0	113	K330	K330-V332 PolarHBondContact O-N 3.37Å
333	S	55.3	Low	59.1	Low	52 Å²	52	71 Å²	71	36%	0.364	40%	0.404	S	S	.	.			trans	-163.9	163.1	-177	66.2	0	0	0	0	114.2	V331 S335 S336	V331-S333 PolarHBondContact O-N 3.01Å; S333-S335 PolarHBondContact O-N 3.47Å; S333-S335 WeakPolarHBondContact OG-CB 3.43Å; S333-S335 PolarHBondContact OG-N 3.45Å; S333-S336 PolarHBondContact N-OG 3.06Å; S333-S336 PolarHBondContact O-N 3.06Å; S333-S336 PolarHBondContact O-OG 2.89Å; S333-S336 PolarHBondContact OG-N 2.94Å; S333-S336 VanDerWaalsContact OG-N 3.17Å; S333-S336 PolarHBondContact OG-OG 2.73Å; S333-S336 VanDerWaalsContact OG-OG 3.11Å
334	A	53	Low	58.2	Low	54 Å²	54	68.2 Å²	68.2	45%	0.446	39%	0.389	S	S	.	.	H	α-helix	trans	-56.5	-35	164.3	0	0	0	0	0	111.9	S336 V337 F338	A334-S336 VanDerWaalsContact C-N 3.32Å; A334-S336 PolarHBondContact O-N 3.17Å; A334-V337 WeakPolarHBondContact O-CB 3.5Å; A334-V337 PolarHBondContact O-N 2.85Å; A334-F338 WeakPolarHBondContact O-CD2 3.44Å; A334-F338 PolarHBondContact O-N 3.42Å
335	S	52.4	Low	56.6	Low	80 Å²	80	70.6 Å²	70.6	56%	0.559	41%	0.412	S	S	*	.	H	α-helix	trans	-58.8	-40.3	178.1	-51.6	0	0	0	0	112.9	S333 V337 F338 E339	S333-S335 PolarHBondContact O-N 3.47Å; S333-S335 WeakPolarHBondContact OG-CB 3.43Å; S333-S335 PolarHBondContact OG-N 3.45Å; S335-V337 VanDerWaalsContact C-N 3.31Å; S335-V337 PolarHBondContact O-N 2.9Å; S335-F338 PolarHBondContact O-N 3.4Å; S335-E339 WeakPolarHBondContact O-CG 3.14Å; S335-E339 PolarHBondContact O-N 3.02Å
336	S	53.2	Low	55	Low	18 Å²	18	75.8 Å²	75.8	13%	0.126	44%	0.437	C	S	.	.	H	α-helix	trans	-69.9	-23.5	175.7	36	0	0	0	0	114	S333 A334 N340	S333-S336 PolarHBondContact N-OG 3.06Å; S333-S336 PolarHBondContact O-N 3.06Å; S333-S336 PolarHBondContact O-OG 2.89Å; S333-S336 PolarHBondContact OG-N 2.94Å; S333-S336 VanDerWaalsContact OG-N 3.17Å; S333-S336 PolarHBondContact OG-OG 2.73Å; S333-S336 VanDerWaalsContact OG-OG 3.11Å; A334-S336 VanDerWaalsContact C-N 3.32Å; A334-S336 PolarHBondContact O-N 3.17Å; S336-N340 PolarHBondContact O-ND2 3.14Å
337	V	57.1	Low	53.5	Low	8 Å²	8	76.2 Å²	76.2	5%	0.048	44%	0.444	C	S	.	.	H	α-helix	trans	-77.5	-45.8	170.7	-177.3	0	0	0	0	109.4	Y321 L322 A325 V331 A334 S335 E339 N340 L341	Y321-V337 HydrophobicContact CE1-CG1 4.14Å; L322-V337 HydrophobicContact CD2-CG1 3.81Å; A325-V337 HydrophobicContact CB-CG2 4.06Å; V331-V337 HydrophobicContact CG1-CG2 3.53Å; A334-V337 WeakPolarHBondContact O-CB 3.5Å; A334-V337 PolarHBondContact O-N 2.85Å; S335-V337 VanDerWaalsContact C-N 3.31Å; S335-V337 PolarHBondContact O-N 2.9Å; V337-E339 PolarHBondContact O-N 3.43Å; V337-N340 PolarHBondContact O-N 2.91Å; V337-L341 HydrophobicContact CG1-CD1 4.39Å; V337-L341 PolarHBondContact O-N 2.99Å
338	F	54.9	Low	51.8	Low	83 Å²	83	74.8 Å²	74.8	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-61.1	-40	178.1	-96.9	-90	0	0	0	113.4	F274 A334 S335 N340 L341 A342	F274-F338 HydrophobicContact CD1-CE2 4.18Å; F274-F338 HydrophobicContact CD1-CZ 4.25Å; F274-F338 HydrophobicContact CD2-CE2 4.44Å; F274-F338 AromaticContact CD2-CZ 3.83Å; F274-F338 HydrophobicContact CD2-CZ 3.83Å; F274-F338 AromaticContact CE1-CE2 3.9Å; F274-F338 HydrophobicContact CE1-CE2 3.9Å; F274-F338 AromaticContact CE1-CZ 3.78Å; F274-F338 HydrophobicContact CE1-CZ 3.78Å; F274-F338 AromaticContact CE2-CE1 3.93Å; F274-F338 HydrophobicContact CE2-CE1 3.93Å; F274-F338 HydrophobicContact CE2-CE2 4.2Å; F274-F338 AromaticContact CE2-CZ 3.33Å; F274-F338 HydrophobicContact CE2-CZ 3.33Å; F274-F338 HydrophobicContact CG-CE2 4.44Å; F274-F338 HydrophobicContact CG-CZ 4.27Å; F274-F338 AromaticContact CZ-CE1 3.76Å; F274-F338 HydrophobicContact CZ-CE1 3.76Å; F274-F338 AromaticContact CZ-CE2 3.91Å; F274-F338 HydrophobicContact CZ-CE2 3.91Å; F274-F338 AromaticContact CZ-CZ 3.29Å; F274-F338 HydrophobicContact CZ-CZ 3.29Å; A334-F338 WeakPolarHBondContact O-CD2 3.44Å; A334-F338 PolarHBondContact O-N 3.42Å; S335-F338 PolarHBondContact O-N 3.4Å; F338-N340 VanDerWaalsContact C-N 3.32Å; F338-N340 PolarHBondContact O-N 2.77Å; F338-L341 PolarHBondContact O-N 2.87Å; F338-A342 WeakPolarHBondContact O-CB 3.23Å; F338-A342 PolarHBondContact O-N 2.87Å
339	E	54.2	Low	50.2	Low	138 Å²	138	77.1 Å²	77.1	65%	0.645	46%	0.458	S	S	*	.	H	α-helix	trans	-64.4	-36.7	178	-77	177.8	154.3	0	0	112.1	S335 V337 N343	S335-E339 WeakPolarHBondContact O-CG 3.14Å; S335-E339 PolarHBondContact O-N 3.02Å; V337-E339 PolarHBondContact O-N 3.43Å; E339-N343 PolarHBondContact O-ND2 3.04Å; E339-N343 VanDerWaalsContact O-ND2 3.1Å
340	N	52.4	Low	48.7	Very low	56 Å²	56	77.9 Å²	77.9	30%	0.299	46%	0.455	S	S	.	.	H	α-helix	trans	-77	-38.4	176.2	-72.2	-44.3	0	0	0	112.8	Y321 S336 V337 F338	Y321-N340 VanDerWaalsContact OH-CB 3.29Å; Y321-N340 WeakPolarHBondContact OH-CB 3.26Å; Y321-N340 PolarHBondContact OH-ND2 3.03Å; Y321-N340 VanDerWaalsContact OH-ND2 3.13Å; S336-N340 PolarHBondContact O-ND2 3.14Å; V337-N340 PolarHBondContact O-N 2.91Å; F338-N340 VanDerWaalsContact C-N 3.32Å; F338-N340 PolarHBondContact O-N 2.77Å
341	L	55.6	Low	47.2	Very low	32 Å²	32	78.9 Å²	78.9	17%	0.168	47%	0.466	C	S	.	.	H	α-helix	trans	-72.6	-35	176.3	-109.3	71	0	0	0	113.1	L307 V318 Y321 L322 V337 F338 N343 R344 A345	L307-L341 HydrophobicContact CD2-CD1 4.19Å; V318-L341 HydrophobicContact CG1-CD2 4.43Å; Y321-L341 HydrophobicContact CD1-CD1 3.6Å; Y321-L341 HydrophobicContact CE1-CD1 3.47Å; Y321-L341 VanDerWaalsContact CE1-CD1 3.47Å; L322-L341 HydrophobicContact CD1-CD2 4.33Å; L322-L341 HydrophobicContact CD2-CD1 4.16Å; L322-L341 HydrophobicContact CD2-CD2 4.01Å; V337-L341 HydrophobicContact CG1-CD1 4.39Å; V337-L341 PolarHBondContact O-N 2.99Å; F338-L341 PolarHBondContact O-N 2.87Å; L341-N343 PolarHBondContact O-N 2.72Å; L341-R344 WeakPolarHBondContact O-CA 3.24Å; L341-R344 PolarHBondContact O-N 2.9Å; L341-A345 PolarHBondContact O-N 3.14Å
342	A	54	Low	45.7	Very low	50 Å²	50	82.8 Å²	82.8	41%	0.413	49%	0.485	S	S	.	.	H	α-helix	trans	-64.4	-25.6	-179.7	0	0	0	0	0	112.7	F338 R344 L346	F338-A342 WeakPolarHBondContact O-CB 3.23Å; F338-A342 PolarHBondContact O-N 2.87Å; A342-R344 PolarHBondContact O-N 3Å; A342-L346 WeakPolarHBondContact O-CD1 3.44Å; A342-L346 WeakPolarHBondContact O-CG 3.36Å
343	N	43.6	Very low	44.8	Very low	129 Å²	129	79.7 Å²	79.7	69%	0.69	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-12	172	-63.9	-27.4	0	0	0	113.1	E339 L341	E339-N343 PolarHBondContact O-ND2 3.04Å; E339-N343 VanDerWaalsContact O-ND2 3.1Å; L341-N343 PolarHBondContact O-N 2.72Å
344	R	49	Very low	43.5	Very low	66 Å²	66	85.5 Å²	85.5	25%	0.249	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-24.3	-176	-166.6	174.4	179.5	140.5	-10.1	114	C305 L307 L341 A342 L346 S347	C305-R344 PolarHBondContact O-NH1 2.86Å; C305-R344 PolarHBondContact O-NH2 3.33Å; L307-R344 VanDerWaalsContact CG-NH1 3.33Å; L341-R344 WeakPolarHBondContact O-CA 3.24Å; L341-R344 PolarHBondContact O-N 2.9Å; A342-R344 PolarHBondContact O-N 3Å; R344-L346 VanDerWaalsContact C-N 3.26Å; R344-L346 PolarHBondContact O-N 3.13Å; R344-S347 PolarHBondContact O-OG 3.17Å; R344-S347 VanDerWaalsContact O-OG 3.08Å
345	A	39.7	Very low	42.2	Very low	69 Å²	69	94.9 Å²	94.9	57%	0.57	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-77.8	-4.2	178.6	0	0	0	0	0	114.5	L341 S347	L341-A345 PolarHBondContact O-N 3.14Å; A345-S347 PolarHBondContact O-N 3.29Å
346	L	36.3	Very low	41.1	Very low	122 Å²	122	95.1 Å²	95.1	64%	0.639	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-77.1	0.8	-179	-74.2	162.9	0	0	0	114.2	A342 R344	A342-L346 WeakPolarHBondContact O-CD1 3.44Å; A342-L346 WeakPolarHBondContact O-CG 3.36Å; R344-L346 VanDerWaalsContact C-N 3.26Å; R344-L346 PolarHBondContact O-N 3.13Å
347	S	34.1	Very low	40	Very low	98 Å²	98	100.2 Å²	100.2	69%	0.685	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-123.9	-1.5	-169.1	49.3	0	0	0	0	116.3	R344 A345	R344-S347 PolarHBondContact O-OG 3.17Å; R344-S347 VanDerWaalsContact O-OG 3.08Å; A345-S347 PolarHBondContact O-N 3.29Å
348	T	34.7	Very low	38.6	Very low	102 Å²	102	111.3 Å²	111.3	63%	0.626	60%	0.598	S	S	*	*	S	Bend	trans	-142.3	128	-173.9	46.7	0	0	0	0	113.1
349	S	35.4	Very low	37.4	Very low	61 Å²	61	114.5 Å²	114.5	43%	0.427	61%	0.614	S	S	.	*			trans	38.4	96.9	156.7	33.6	0	0	0	0	117.7
350	N	34	Very low	36	Very low	145 Å²	145	118.2 Å²	118.2	78%	0.775	62%	0.622	S	S	*	*				43.3	121.9	79.7	-69.9	-25.9	0	0	0	115.9
351	N	30.1	Very low	34.8	Very low	137 Å²	137	122.7 Å²	122.7	73%	0.733	65%	0.646	S	S	*	*			trans	89.6	147	176.8	-59.1	-65.2	0	0	0	117.8
352	L	31.1	Very low	33.4	Very low	108 Å²	108	126.4 Å²	126.4	57%	0.565	67%	0.674	S	S	*	*			trans	74.6	132.2	-179.1	-45	160.7	0	0	0	114.8	P278 G279	P278-L352 HydrophobicContact CB-CB 3.94Å; P278-L352 HydrophobicContact CB-CD1 3.89Å; P278-L352 HydrophobicContact CB-CD2 4.22Å; P278-L352 HydrophobicContact CB-CG 4.22Å; P278-L352 WeakPolarHBondContact O-CB 3.39Å; G279-L352 VanDerWaalsContact N-CD1 3.33Å
353	G	29.8	Very low	32.3	Very low	66 Å²	66	130.9 Å²	130.9	68%	0.68	69%	0.69	S	S	*	*			trans	-111	106.4	-160.8	0	0	0	0	0	115.2
354	F	28.7	Very low	31.6	Very low	173 Å²	173	128.9 Å²	128.9	76%	0.759	69%	0.686	S	S	*	*			trans	-132.8	125.8	149.6	-98.5	-84.3	0	0	0	110.7	A277	A277-F354 HydrophobicContact CB-CD2 4.44Å
355	R	26.6	Very low	30.6	Very low	251 Å²	251	132 Å²	132	95%	0.947	71%	0.708	S	S	*	*			trans	-85.2	122.5	-165.8	-65.5	180	178.3	-132.4	-1.2	112.5
356	S	28.7	Very low	30.2	Very low	85 Å²	85	139.4 Å²	139.4	59%	0.594	73%	0.728	S	S	*	*			trans	-115.1	139.4	164.3	-177.6	0	0	0	0	110.6	R358	S356-R358 PolarHBondContact O-N 3.02Å
357	P	29.5	Very low	30	Very low	126 Å²	126	143.9 Å²	143.9	82%	0.818	74%	0.736	S	S	*	*	S	Bend	trans	-80.6	83.1	-178	31.1	-32.6	0	0	0	112.4
358	R	28.9	Very low	30	Very low	241 Å²	241	147.6 Å²	147.6	91%	0.909	74%	0.743	S	S	*	*	S	Bend	trans	-163.8	34.1	154.2	-115.3	176.5	-166.1	-157.1	4.4	118.9	S356	S356-R358 PolarHBondContact O-N 3.02Å
359	Q	28	Very low	29.9	Very low	149 Å²	149	150.3 Å²	150.3	70%	0.696	75%	0.752	S	S	*	*			trans	-151.5	119.7	150.4	-73.6	-152.2	-2.6	0	0	107.6
360	R	25.6	Very low	30	Very low	217 Å²	217	151.5 Å²	151.5	82%	0.819	76%	0.758	S	S	*	*				60.2	116.7	84.7	-81	-165.7	-170.4	166.4	5	116.1
361	N	26.5	Very low	30.4	Very low	149 Å²	149	149.7 Å²	149.7	80%	0.797	76%	0.755	S	S	*	*			trans	75.9	140.7	152.1	-56.8	-0.8	0	0	0	118.8
362	S	28	Very low	31	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	76%	0.756	S	S	*	*			trans	22.5	127.5	170.1	-56.1	0	0	0	0	118.6
363	I	30.7	Very low	31.1	Very low	145 Å²	145	154.2 Å²	154.2	74%	0.744	76%	0.762	S	S	*	*				-168.6	111.1	87.4	-86.5	147.5	0	0	0	104.9
364	S	28	Very low	31.5	Very low	87 Å²	87	156.7 Å²	156.7	61%	0.608	76%	0.759	S	S	*	*				44.3	134.9	91.3	59	0	0	0	0	115
365	N	28.8	Very low	32	Very low	132 Å²	132	152.3 Å²	152.3	71%	0.706	75%	0.75	S	S	*	*			trans	69.6	78	170.9	-46.9	-25.4	0	0	0	117
366	F	30	Very low	32.6	Very low	224 Å²	224	147.5 Å²	147.5	98%	0.982	74%	0.739	S	S	*	*				-129.1	100.6	116.3	-92.8	-77.3	0	0	0	108
367	R	33.1	Very low	33	Very low	215 Å²	215	149.1 Å²	149.1	81%	0.811	74%	0.74	S	S	*	*			trans	-72.3	163.6	174.8	-139.6	168.9	-174.8	164.9	-3	107.9
368	E	34.7	Very low	33.6	Very low	177 Å²	177	150.7 Å²	150.7	83%	0.827	73%	0.734	S	S	*	*			trans	71.9	54.3	168.2	-60.2	161.9	-140.1	0	0	116.4
369	L	32.6	Very low	34.2	Very low	158 Å²	158	143.6 Å²	143.6	83%	0.827	71%	0.714	S	S	*	*	S	Bend	trans	-112.7	135.9	146.8	-84.4	165.3	0	0	0	109.1
370	P	37.5	Very low	34.9	Very low	86 Å²	86	142.2 Å²	142.2	56%	0.558	72%	0.716	S	S	*	*			trans	-56.5	144.7	-171.7	-29.2	35.9	0	0	0	114.9	E372 Y373	P370-E372 HydrophobicContact CB-CG 4.39Å; P370-E372 PolarHBondContact O-N 3.06Å; P370-Y373 PolarHBondContact O-N 2.85Å
371	P	42	Very low	36	Very low	108 Å²	108	136.8 Å²	136.8	70%	0.701	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-63.9	-17.1	-172.4	25.1	-34.6	0	0	0	114.8	Y373	P371-Y373 PolarHBondContact O-N 3.44Å; P371-Y373 VanDerWaalsContact O-N 3.13Å
372	E	41.8	Very low	37.2	Very low	162 Å²	162	132.1 Å²	132.1	76%	0.757	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-50.9	-33	175.8	-47.5	-59.1	138.5	0	0	113.6	P370	P370-E372 HydrophobicContact CB-CG 4.39Å; P370-E372 PolarHBondContact O-N 3.06Å
373	Y	34.3	Very low	38.3	Very low	178 Å²	178	129.5 Å²	129.5	70%	0.698	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-94.6	-13.6	-166	-138.7	-96.9	0	0	0	115.2	P370 P371 S375	P370-Y373 PolarHBondContact O-N 2.85Å; P371-Y373 PolarHBondContact O-N 3.44Å; P371-Y373 VanDerWaalsContact O-N 3.13Å; Y373-S375 VanDerWaalsContact C-N 3.31Å; Y373-S375 PolarHBondContact O-N 3.18Å
374	L	37.5	Very low	39.5	Very low	117 Å²	117	127.8 Å²	127.8	61%	0.613	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-80	-8.2	-171.6	-70.6	175	0	0	0	114.7	Q376 L377	L374-Q376 PolarHBondContact O-N 3.05Å; L374-L377 HydrophobicContact CD2-CD1 4.42Å
375	S	39.7	Very low	40.8	Very low	82 Å²	82	127.5 Å²	127.5	57%	0.573	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-64	-21.6	-179.4	52.4	0	0	0	0	114.1	Y373	Y373-S375 VanDerWaalsContact C-N 3.31Å; Y373-S375 PolarHBondContact O-N 3.18Å
376	Q	39.2	Very low	42.2	Very low	150 Å²	150	124.3 Å²	124.3	70%	0.701	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-89.1	-5.4	-172.2	-56.9	-173.1	17.4	0	0	115.2	L374	L374-Q376 PolarHBondContact O-N 3.05Å
377	L	37	Very low	43.5	Very low	118 Å²	118	120.2 Å²	120.2	62%	0.618	62%	0.624	S	S	*	*			trans	-102.3	10.8	-168.6	-68.4	174.8	0	0	0	116	L374 D379 T380	L374-L377 HydrophobicContact CD2-CD1 4.42Å; L377-D379 VanDerWaalsContact C-N 3.33Å; L377-D379 PolarHBondContact O-N 3.32Å; L377-T380 PolarHBondContact O-OG1 3.13Å
378	K	40.8	Very low	44.7	Very low	160 Å²	160	113.1 Å²	113.1	70%	0.696	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-73.1	-10	-171.4	-69.1	-177.2	176.2	177.7	0	116.5	T381	K378-T381 PolarHBondContact O-OG1 3.19Å
379	D	41.5	Very low	46.2	Very low	92 Å²	92	107 Å²	107	49%	0.492	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-84.6	-12.4	-170.8	-100.2	41.9	0	0	0	115.6	L377 R415	L377-D379 VanDerWaalsContact C-N 3.33Å; L377-D379 PolarHBondContact O-N 3.32Å; D379-R415 IonicContact OD1-CZ 3.93Å; D379-R415 IonicContact OD1-NH2 2.7Å; D379-R415 PolarHBondContact OD1-NH2 2.87Å; D379-R415 IonicContact OD2-CZ 3.55Å; D379-R415 IonicContact OD2-NH1 3.35Å; D379-R415 PolarHBondContact OD2-NH1 3.33Å; D379-R415 IonicContact OD2-NH2 2.8Å; D379-R415 PolarHBondContact OD2-NH2 3.49Å
380	T	44.4	Very low	48.2	Very low	120 Å²	120	102.1 Å²	102.1	74%	0.736	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-90.5	-11.1	-173	39	0	0	0	0	115	L377	L377-T380 PolarHBondContact O-OG1 3.13Å
381	T	48	Very low	50.2	Low	102 Å²	102	100.1 Å²	100.1	63%	0.626	56%	0.559	S	S	*	*	S	Bend	trans	-87.5	-8.3	-173.7	53.8	0	0	0	0	114.8	K378	K378-T381 PolarHBondContact O-OG1 3.19Å
382	L	51.3	Low	52	Low	51 Å²	51	95.8 Å²	95.8	27%	0.267	53%	0.531	S	S	.	.	S	Bend	trans	-95.3	14.1	-169.6	-59.5	178.9	0	0	0	115.3	N394 V410	L382-N394 WeakPolarHBondContact CD2-ND2 3.26Å; L382-N394 PolarHBondContact O-OD1 3.26Å; L382-V410 HydrophobicContact CD1-CG1 4.19Å
383	I	51.3	Low	54	Low	55 Å²	55	88.2 Å²	88.2	28%	0.282	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.1	-171.5	-65.3	172.1	0	0	0	110.6	L406	I383-L406 HydrophobicContact CB-CD2 4.21Å; I383-L406 HydrophobicContact CG1-CD2 4.04Å; I383-L406 HydrophobicContact CG2-CD2 3.79Å
384	H	55.4	Low	56	Low	110 Å²	110	82.7 Å²	82.7	51%	0.509	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	153.7	164.7	-69.9	-69.7	0	0	0	111.1	S392	H384-S392 PolarHBondContact O-N 2.97Å
385	S	56.4	Low	57.7	Low	81 Å²	81	82.7 Å²	82.7	57%	0.566	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	111.8	176.8	-59.6	0	0	0	0	108.4
386	N	58.3	Low	59.6	Low	64 Å²	64	81.3 Å²	81.3	34%	0.342	47%	0.467	S	S	.	.			trans	-81.6	155	178.1	-72.6	-15	0	0	0	110.4	G388 G389 I390 E399	N386-G388 PolarHBondContact O-N 3.42Å; N386-G389 PolarHBondContact O-N 3.49Å; N386-I390 HydrophobicContact CB-CB 4.26Å; N386-I390 PolarHBondContact N-O 3Å; N386-E399 PolarHBondContact ND2-OE1 3.23Å
387	P	56	Low	61.5	Low	138 Å²	138	76.7 Å²	76.7	90%	0.896	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-14.7	-173.2	-27.2	36.4	0	0	0	116.9
388	G	58	Low	63.6	Low	67 Å²	67	76.8 Å²	76.8	69%	0.691	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	14.2	179.1	0	0	0	0	0	116	N386 I390	N386-G388 PolarHBondContact O-N 3.42Å; G388-I390 PolarHBondContact O-N 2.92Å
389	G	66.5	Low	65.6	Low	47 Å²	47	74.6 Å²	74.6	49%	0.485	45%	0.447	S	S	.	.	S	Bend	trans	73	13.7	-170.4	0	0	0	0	0	113.5	N386 F391	N386-G389 PolarHBondContact O-N 3.49Å; G389-F391 WeakPolarHBondContact O-CD2 3.18Å; G389-F391 WeakPolarHBondContact O-CE2 3.48Å
390	I	75.1	Confident	67.6	Low	57 Å²	57	72.3 Å²	72.3	29%	0.292	43%	0.433	S	S	.	.			trans	-89.9	128.3	178.9	-59.9	171.6	0	0	0	108.8	N386 G388 E399	N386-I390 HydrophobicContact CB-CB 4.26Å; N386-I390 PolarHBondContact N-O 3Å; G388-I390 PolarHBondContact O-N 2.92Å; I390-E399 HydrophobicContact CG2-CB 3.55Å; I390-E399 HydrophobicContact CG2-CG 3.79Å
391	F	80.1	Confident	69.5	Low	43 Å²	43	73.3 Å²	73.3	19%	0.189	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.3	178.2	-62.5	-86.7	0	0	0	108.6	G389 F400 K403 L406	G389-F391 WeakPolarHBondContact O-CD2 3.18Å; G389-F391 WeakPolarHBondContact O-CE2 3.48Å; F391-F400 HydrophobicContact CB-CB 4.43Å; F391-F400 PolarHBondContact N-O 2.81Å; F391-F400 WeakPolarHBondContact O-CD2 3.49Å; F391-F400 PolarHBondContact O-N 3.2Å; F391-K403 HydrophobicContact CD1-CB 4.15Å; F391-K403 HydrophobicContact CE1-CB 3.85Å; F391-K403 HydrophobicContact CE1-CG 4.39Å; F391-K403 HydrophobicContact CE2-CB 4.36Å; F391-K403 HydrophobicContact CZ-CB 3.95Å; F391-L406 HydrophobicContact CB-CB 3.84Å; F391-L406 HydrophobicContact CB-CD2 3.73Å; F391-L406 HydrophobicContact CB-CG 4.38Å
392	S	79.4	Confident	71	Confident	18 Å²	18	70.4 Å²	70.4	13%	0.126	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.7	-177.7	50.4	0	0	0	0	111.7	H384 K398 L406	H384-S392 PolarHBondContact O-N 2.97Å; S392-K398 WeakPolarHBondContact CA-O 3.34Å; S392-L406 WeakPolarHBondContact O-CD2 3.48Å
393	C	83.9	Confident	72.6	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.02	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.7	173.1	-174.9	0	0	0	0	111	M395 C396 G397 K398 L406 H409 H414	C393-M395 PolarHBondContact O-N 3.38Å; C393-M395 PolarHBondContact SG-N 3Å; C393-C396 PolarHBondContact O-N 3.43Å; C393-G397 VanDerWaalsContact O-CA 3.32Å; C393-G397 WeakPolarHBondContact O-CA 3.27Å; C393-G397 PolarHBondContact O-N 2.99Å; C393-K398 PolarHBondContact N-O 3.32Å; C393-L406 HydrophobicContact CB-CD1 3.62Å; C393-H409 WeakPolarHBondContact CB-NE2 3.44Å; C393-H409 PolarHBondContact SG-NE2 2.79Å; C393-H414 VanDerWaalsContact SG-CD2 3.55Å
394	N	76.4	Confident	74.2	Confident	62 Å²	62	76.5 Å²	76.5	33%	0.332	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.3	177.3	70.2	-28.7	0	0	0	114	L382	L382-N394 WeakPolarHBondContact CD2-ND2 3.26Å; L382-N394 PolarHBondContact O-OD1 3.26Å
395	M	72.6	Confident	75.6	Confident	116 Å²	116	73.2 Å²	73.2	57%	0.571	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-14.4	-177.6	-60.2	-56.6	-64.7	0	0	114.8	C393 H414	C393-M395 PolarHBondContact O-N 3.38Å; C393-M395 PolarHBondContact SG-N 3Å; M395-H414 WeakPolarHBondContact CB-CE1 3.39Å; M395-H414 VanDerWaalsContact CB-ND1 3.32Å; M395-H414 WeakPolarHBondContact CB-ND1 3.35Å; M395-H414 HydrophobicContact CG-CB 4.49Å
396	C	80.5	Confident	76.9	Confident	54 Å²	54	69.3 Å²	69.3	37%	0.365	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	11.2	178.1	70.9	0	0	0	0	115.5	C393 K398 H409 H414	C393-C396 PolarHBondContact O-N 3.43Å; C396-K398 PolarHBondContact O-N 3.04Å; C396-K398 VanDerWaalsContact SG-CG 3.57Å; C396-H409 PolarHBondContact SG-CE1 3.06Å; C396-H409 PolarHBondContact SG-NE2 3.5Å; C396-H414 PolarHBondContact SG-NE2 2.77Å
397	G	79	Confident	78	Confident	53 Å²	53	71.3 Å²	71.3	55%	0.546	41%	0.412	S	S	.	.			trans	69.8	-9.4	178.4	0	0	0	0	0	115.9	C393 E399	C393-G397 VanDerWaalsContact O-CA 3.32Å; C393-G397 WeakPolarHBondContact O-CA 3.27Å; C393-G397 PolarHBondContact O-N 2.99Å; G397-E399 PolarHBondContact O-N 3.13Å
398	K	80.2	Confident	79.2	Confident	120 Å²	120	69.1 Å²	69.1	52%	0.522	39%	0.39	S	S	.	.			trans	-60.7	132.7	-174	-69.3	-173.8	-172	-157	0	112.2	S392 C393 C396 F400	S392-K398 WeakPolarHBondContact CA-O 3.34Å; C393-K398 PolarHBondContact N-O 3.32Å; C396-K398 PolarHBondContact O-N 3.04Å; C396-K398 VanDerWaalsContact SG-CG 3.57Å; K398-F400 HydrophobicContact CB-CE2 3.68Å; K398-F400 HydrophobicContact CB-CZ 3.86Å; K398-F400 WeakPolarHBondContact O-CD2 3.21Å; K398-F400 VanDerWaalsContact O-CE2 3.24Å; K398-F400 WeakPolarHBondContact O-CE2 3.47Å
399	E	83.9	Confident	80.3	Confident	114 Å²	114	66.8 Å²	66.8	53%	0.533	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.7	-175.5	-67.5	-157.4	136.8	0	0	111.9	N386 I390 G397	N386-E399 PolarHBondContact ND2-OE1 3.23Å; I390-E399 HydrophobicContact CG2-CB 3.55Å; I390-E399 HydrophobicContact CG2-CG 3.79Å; G397-E399 PolarHBondContact O-N 3.13Å
400	F	83.4	Confident	81	Confident	44 Å²	44	65.1 Å²	65.1	19%	0.193	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.7	-176.6	-62	-83.4	0	0	0	111.3	F391 K398 S402 L406 H409	F391-F400 HydrophobicContact CB-CB 4.43Å; F391-F400 PolarHBondContact N-O 2.81Å; F391-F400 WeakPolarHBondContact O-CD2 3.49Å; F391-F400 PolarHBondContact O-N 3.2Å; K398-F400 HydrophobicContact CB-CE2 3.68Å; K398-F400 HydrophobicContact CB-CZ 3.86Å; K398-F400 WeakPolarHBondContact O-CD2 3.21Å; K398-F400 VanDerWaalsContact O-CE2 3.24Å; K398-F400 WeakPolarHBondContact O-CE2 3.47Å; F400-S402 PolarHBondContact O-N 2.98Å; F400-L406 HydrophobicContact CB-CB 4.16Å; F400-L406 HydrophobicContact CD2-CB 3.95Å; F400-L406 HydrophobicContact CD2-CD1 3.71Å; F400-L406 HydrophobicContact CD2-CG 4.43Å; F400-L406 HydrophobicContact CE2-CD1 3.97Å; F400-L406 HydrophobicContact CG-CB 4.21Å; F400-H409 HydrophobicContact CD2-CB 4.5Å; F400-H409 HydrophobicContact CE1-CB 3.8Å; F400-H409 HydrophobicContact CE2-CB 3.71Å; F400-H409 AromaticContact CE2-CD2 3.43Å; F400-H409 VanDerWaalsContact CE2-CD2 3.43Å; F400-H409 WeakPolarHBondContact CE2-CD2 3.29Å; F400-H409 AromaticContact CE2-CG 3.43Å; F400-H409 VanDerWaalsContact CE2-CG 3.43Å; F400-H409 HydrophobicContact CZ-CB 3.33Å; F400-H409 AromaticContact CZ-CD2 3.67Å; F400-H409 AromaticContact CZ-CG 3.16Å; F400-H409 AromaticContact CZ-ND1 3.52Å
401	N	82.9	Confident	81.1	Confident	140 Å²	140	64.8 Å²	64.8	75%	0.749	34%	0.34	S	S	*	.	S	Bend	trans	-79.6	5.8	177.2	63.2	0.7	0	0	0	114.6
402	S	81.4	Confident	80.8	Confident	41 Å²	41	63.5 Å²	63.5	29%	0.287	34%	0.339	S	S	.	.	S	Bend	trans	-156.1	140	-177.8	170.9	0	0	0	0	111.9	F400 L404 S405 L406	F400-S402 PolarHBondContact O-N 2.98Å; S402-L404 PolarHBondContact O-N 2.86Å; S402-L404 PolarHBondContact OG-N 2.97Å; S402-L404 VanDerWaalsContact OG-N 3.17Å; S402-S405 WeakPolarHBondContact O-CB 3.45Å; S402-S405 PolarHBondContact O-N 3.34Å; S402-L406 PolarHBondContact O-N 3.04Å
403	K	84.4	Confident	80.5	Confident	129 Å²	129	69.9 Å²	69.9	56%	0.561	36%	0.364	S	S	*	.	H	α-helix	trans	-57.4	-31.4	172.5	-172.1	173.2	-176.9	173	0	112.4	F391 K407	F391-K403 HydrophobicContact CD1-CB 4.15Å; F391-K403 HydrophobicContact CE1-CB 3.85Å; F391-K403 HydrophobicContact CE1-CG 4.39Å; F391-K403 HydrophobicContact CE2-CB 4.36Å; F391-K403 HydrophobicContact CZ-CB 3.95Å; K403-K407 WeakPolarHBondContact O-CB 3.06Å; K403-K407 PolarHBondContact O-N 2.86Å
404	L	84.4	Confident	80	Confident	106 Å²	106	72.9 Å²	72.9	56%	0.555	38%	0.378	S	S	*	.	H	α-helix	trans	-69.3	-43.5	174.9	-178.8	61.6	0	0	0	110.9	S402 K407 Q408	S402-L404 PolarHBondContact O-N 2.86Å; S402-L404 PolarHBondContact OG-N 2.97Å; S402-L404 VanDerWaalsContact OG-N 3.17Å; L404-K407 PolarHBondContact O-N 3Å; L404-Q408 HydrophobicContact CD1-CG 4.27Å; L404-Q408 HydrophobicContact CG-CG 4.47Å; L404-Q408 WeakPolarHBondContact O-CB 3.37Å; L404-Q408 VanDerWaalsContact O-CG 3.32Å; L404-Q408 WeakPolarHBondContact O-CG 3.32Å; L404-Q408 PolarHBondContact O-N 2.69Å
405	S	84	Confident	79.5	Confident	40 Å²	40	74.3 Å²	74.3	28%	0.28	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-44.4	177.8	-54.4	0	0	0	0	111.6	S402 Q408 H409	S402-S405 WeakPolarHBondContact O-CB 3.45Å; S402-S405 PolarHBondContact O-N 3.34Å; S405-Q408 PolarHBondContact O-N 2.86Å; S405-H409 WeakPolarHBondContact O-CB 3.31Å; S405-H409 PolarHBondContact O-N 2.91Å
406	L	84.5	Confident	78.8	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-61.9	-45.3	173.1	174.7	61.7	0	0	0	111.4	I383 F391 S392 C393 F400 S402 Q408 H409 V410	I383-L406 HydrophobicContact CB-CD2 4.21Å; I383-L406 HydrophobicContact CG1-CD2 4.04Å; I383-L406 HydrophobicContact CG2-CD2 3.79Å; F391-L406 HydrophobicContact CB-CB 3.84Å; F391-L406 HydrophobicContact CB-CD2 3.73Å; F391-L406 HydrophobicContact CB-CG 4.38Å; S392-L406 WeakPolarHBondContact O-CD2 3.48Å; C393-L406 HydrophobicContact CB-CD1 3.62Å; F400-L406 HydrophobicContact CB-CB 4.16Å; F400-L406 HydrophobicContact CD2-CB 3.95Å; F400-L406 HydrophobicContact CD2-CD1 3.71Å; F400-L406 HydrophobicContact CD2-CG 4.43Å; F400-L406 HydrophobicContact CE2-CD1 3.97Å; F400-L406 HydrophobicContact CG-CB 4.21Å; S402-L406 PolarHBondContact O-N 3.04Å; L406-Q408 PolarHBondContact O-N 3.38Å; L406-H409 CarbonylContact O-C 3.57Å; L406-H409 WeakPolarHBondContact O-CA 3.39Å; L406-H409 WeakPolarHBondContact O-CB 3.21Å; L406-H409 PolarHBondContact O-N 3.21Å; L406-H409 VanDerWaalsContact O-N 3.08Å; L406-V410 HydrophobicContact CD1-CG2 4Å; L406-V410 HydrophobicContact CG-CG2 4.41Å; L406-V410 WeakPolarHBondContact O-CG2 3.2Å; L406-V410 PolarHBondContact O-N 2.82Å
407	K	81.4	Confident	77.9	Confident	105 Å²	105	78.3 Å²	78.3	46%	0.457	41%	0.406	S	S	.	.	H	α-helix	trans	-60.4	-47.3	177.6	-177.5	173.2	-178.5	174	0	111.4	K403 L404 H409 V410 D411	K403-K407 WeakPolarHBondContact O-CB 3.06Å; K403-K407 PolarHBondContact O-N 2.86Å; L404-K407 PolarHBondContact O-N 3Å; K407-H409 PolarHBondContact O-N 3.41Å; K407-V410 PolarHBondContact O-N 3.48Å; K407-D411 VanDerWaalsContact CE-OD2 3.32Å; K407-D411 WeakPolarHBondContact CE-OD2 3.32Å; K407-D411 WeakPolarHBondContact CG-OD2 3.22Å; K407-D411 VanDerWaalsContact O-CB 3.23Å; K407-D411 WeakPolarHBondContact O-CB 3.39Å; K407-D411 VanDerWaalsContact O-CG 3.23Å; K407-D411 PolarHBondContact O-N 3.15Å
408	Q	80.5	Confident	77.1	Confident	92 Å²	92	75.9 Å²	75.9	43%	0.43	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-26.9	175.3	-73.9	-179.6	-7.4	0	0	112.7	L404 S405 L406 G412 W431	L404-Q408 HydrophobicContact CD1-CG 4.27Å; L404-Q408 HydrophobicContact CG-CG 4.47Å; L404-Q408 WeakPolarHBondContact O-CB 3.37Å; L404-Q408 VanDerWaalsContact O-CG 3.32Å; L404-Q408 WeakPolarHBondContact O-CG 3.32Å; L404-Q408 PolarHBondContact O-N 2.69Å; S405-Q408 PolarHBondContact O-N 2.86Å; L406-Q408 PolarHBondContact O-N 3.38Å; Q408-G412 WeakPolarHBondContact O-CA 3.46Å; Q408-G412 PolarHBondContact O-N 2.89Å; Q408-W431 HydrophobicContact CB-CH2 4.46Å; Q408-W431 HydrophobicContact CG-CH2 4.24Å
409	H	82.9	Confident	76.8	Confident	18 Å²	18	79 Å²	79	8%	0.083	40%	0.395	C	S	.	.	H	α-helix	trans	-76.1	-43.6	172.4	164.2	75.3	0	0	0	112.5	C393 C396 F400 S405 L406 K407 G412 K413 H414	C393-H409 WeakPolarHBondContact CB-NE2 3.44Å; C393-H409 PolarHBondContact SG-NE2 2.79Å; C396-H409 PolarHBondContact SG-CE1 3.06Å; C396-H409 PolarHBondContact SG-NE2 3.5Å; F400-H409 HydrophobicContact CD2-CB 4.5Å; F400-H409 HydrophobicContact CE1-CB 3.8Å; F400-H409 HydrophobicContact CE2-CB 3.71Å; F400-H409 AromaticContact CE2-CD2 3.43Å; F400-H409 VanDerWaalsContact CE2-CD2 3.43Å; F400-H409 WeakPolarHBondContact CE2-CD2 3.29Å; F400-H409 AromaticContact CE2-CG 3.43Å; F400-H409 VanDerWaalsContact CE2-CG 3.43Å; F400-H409 HydrophobicContact CZ-CB 3.33Å; F400-H409 AromaticContact CZ-CD2 3.67Å; F400-H409 AromaticContact CZ-CG 3.16Å; F400-H409 AromaticContact CZ-ND1 3.52Å; S405-H409 WeakPolarHBondContact O-CB 3.31Å; S405-H409 PolarHBondContact O-N 2.91Å; L406-H409 CarbonylContact O-C 3.57Å; L406-H409 WeakPolarHBondContact O-CA 3.39Å; L406-H409 WeakPolarHBondContact O-CB 3.21Å; L406-H409 PolarHBondContact O-N 3.21Å; L406-H409 VanDerWaalsContact O-N 3.08Å; K407-H409 PolarHBondContact O-N 3.41Å; H409-G412 CarbonylContact O-C 3.54Å; H409-G412 PolarHBondContact O-N 3.42Å; H409-K413 WeakPolarHBondContact O-CB 3.13Å; H409-K413 PolarHBondContact O-N 3.07Å; H409-H414 AromaticContact CE1-CD2 4Å; H409-H414 AromaticContact CE1-NE2 3.65Å; H409-H414 AromaticContact NE2-CD2 3.49Å; H409-H414 PolarHBondContact NE2-CD2 3.49Å; H409-H414 AromaticContact NE2-NE2 3.28Å; H409-H414 PolarHBondContact NE2-NE2 3.27Å
410	V	80.5	Confident	76.5	Confident	12 Å²	12	78.1 Å²	78.1	7%	0.073	39%	0.388	C	S	.	.	I	π-helix	trans	-63.6	-46.8	174	175.8	0	0	0	0	110.1	L382 L406 K407 G412 H414 R415	L382-V410 HydrophobicContact CD1-CG1 4.19Å; L406-V410 HydrophobicContact CD1-CG2 4Å; L406-V410 HydrophobicContact CG-CG2 4.41Å; L406-V410 WeakPolarHBondContact O-CG2 3.2Å; L406-V410 PolarHBondContact O-N 2.82Å; K407-V410 PolarHBondContact O-N 3.48Å; V410-G412 PolarHBondContact O-N 2.85Å; V410-H414 HydrophobicContact CG1-CB 4.48Å; V410-H414 PolarHBondContact O-N 2.91Å; V410-R415 PolarHBondContact O-N 2.77Å
411	D	76.8	Confident	76.2	Confident	51 Å²	51	80.4 Å²	80.4	27%	0.273	40%	0.401	S	S	.	.	I	π-helix	trans	-66	-17.3	171.6	-65.4	-15.6	0	0	0	112.8	K407 R415 R430	K407-D411 VanDerWaalsContact CE-OD2 3.32Å; K407-D411 WeakPolarHBondContact CE-OD2 3.32Å; K407-D411 WeakPolarHBondContact CG-OD2 3.22Å; K407-D411 VanDerWaalsContact O-CB 3.23Å; K407-D411 WeakPolarHBondContact O-CB 3.39Å; K407-D411 VanDerWaalsContact O-CG 3.23Å; K407-D411 PolarHBondContact O-N 3.15Å; D411-R415 WeakPolarHBondContact OD1-CD 3.49Å; D411-R415 IonicContact OD1-CZ 3.66Å; D411-R415 IonicContact OD1-NE 3.87Å; D411-R415 IonicContact OD1-NH1 2.74Å; D411-R415 PolarHBondContact OD1-NH1 2.81Å; D411-R430 PolarHBondContact O-NE 2.92Å; D411-R430 PolarHBondContact O-NH2 3.34Å
412	G	74.2	Confident	76.2	Confident	16 Å²	16	74 Å²	74	17%	0.165	37%	0.367	C	S	.	.	I	π-helix	trans	-112.3	-14.5	-170.2	0	0	0	0	0	116.5	Q408 H409 V410 R430	Q408-G412 WeakPolarHBondContact O-CA 3.46Å; Q408-G412 PolarHBondContact O-N 2.89Å; H409-G412 CarbonylContact O-C 3.54Å; H409-G412 PolarHBondContact O-N 3.42Å; V410-G412 PolarHBondContact O-N 2.85Å; G412-R430 VanDerWaalsContact C-NE 3.34Å; G412-R430 VanDerWaalsContact CA-NH2 3.29Å; G412-R430 PolarHBondContact O-NE 3.17Å; G412-R430 VanDerWaalsContact O-NE 3.15Å; G412-R430 PolarHBondContact O-NH1 2.85Å; G412-R430 PolarHBondContact O-NH2 3.3Å
413	K	72.1	Confident	76.1	Confident	151 Å²	151	76.2 Å²	76.2	66%	0.657	40%	0.396	S	S	*	.	I	π-helix	trans	-130.7	-36.3	174.9	-69.3	-65.2	-177.1	174.8	0	113.4	H409 R430	H409-K413 WeakPolarHBondContact O-CB 3.13Å; H409-K413 PolarHBondContact O-N 3.07Å; K413-R430 VanDerWaalsContact N-NH2 3.11Å
414	H	74.1	Confident	75.7	Confident	66 Å²	66	73.8 Å²	73.8	31%	0.306	39%	0.392	S	S	.	.	I	π-helix	trans	-97.9	-31.3	-171.8	-64.7	-67.1	0	0	0	114.8	C393 M395 C396 H409 V410 A416	C393-H414 VanDerWaalsContact SG-CD2 3.55Å; M395-H414 WeakPolarHBondContact CB-CE1 3.39Å; M395-H414 VanDerWaalsContact CB-ND1 3.32Å; M395-H414 WeakPolarHBondContact CB-ND1 3.35Å; M395-H414 HydrophobicContact CG-CB 4.49Å; C396-H414 PolarHBondContact SG-NE2 2.77Å; H409-H414 AromaticContact CE1-CD2 4Å; H409-H414 AromaticContact CE1-NE2 3.65Å; H409-H414 AromaticContact NE2-CD2 3.49Å; H409-H414 PolarHBondContact NE2-CD2 3.49Å; H409-H414 AromaticContact NE2-NE2 3.28Å; H409-H414 PolarHBondContact NE2-NE2 3.27Å; V410-H414 HydrophobicContact CG1-CB 4.48Å; V410-H414 PolarHBondContact O-N 2.91Å; H414-A416 PolarHBondContact O-N 2.8Å
415	R	66.5	Low	75.7	Confident	93 Å²	93	70.5 Å²	70.5	35%	0.351	38%	0.378	S	S	.	.			trans	-75.9	109.8	171.2	-74.3	-177	152.9	146.6	-6.8	111.5	D379 V410 D411 E417 R430	D379-R415 IonicContact OD1-CZ 3.93Å; D379-R415 IonicContact OD1-NH2 2.7Å; D379-R415 PolarHBondContact OD1-NH2 2.87Å; D379-R415 IonicContact OD2-CZ 3.55Å; D379-R415 IonicContact OD2-NH1 3.35Å; D379-R415 PolarHBondContact OD2-NH1 3.33Å; D379-R415 IonicContact OD2-NH2 2.8Å; D379-R415 PolarHBondContact OD2-NH2 3.49Å; V410-R415 PolarHBondContact O-N 2.77Å; D411-R415 WeakPolarHBondContact OD1-CD 3.49Å; D411-R415 IonicContact OD1-CZ 3.66Å; D411-R415 IonicContact OD1-NE 3.87Å; D411-R415 IonicContact OD1-NH1 2.74Å; D411-R415 PolarHBondContact OD1-NH1 2.81Å; R415-E417 PolarHBondContact O-N 3.49Å; R415-E417 VanDerWaalsContact O-N 3.13Å; R415-R430 PolarHBondContact O-NH1 3Å; R415-R430 PolarHBondContact O-NH2 3.3Å
416	A	58.1	Low	75.3	Confident	93 Å²	93	71.2 Å²	71.2	77%	0.769	39%	0.392	S	S	*	.			trans	-64.7	-17.2	-178	0	0	0	0	0	114.2	H414 G418	H414-A416 PolarHBondContact O-N 2.8Å; A416-G418 PolarHBondContact O-N 3.4Å
417	E	60.3	Low	75	Confident	160 Å²	160	76.9 Å²	76.9	75%	0.748	42%	0.416	S	S	*	.			trans	-86	92	-171.5	-61.4	-175.4	-176.3	0	0	113.5	R415	R415-E417 PolarHBondContact O-N 3.49Å; R415-E417 VanDerWaalsContact O-N 3.13Å
418	G	63.4	Low	74.9	Confident	2 Å²	2	78.4 Å²	78.4	2%	0.021	42%	0.419	C	S	.	.			trans	-64.9	131.1	159.4	0	0	0	0	0	111.2	A416 Y420 R428 Y429	A416-G418 PolarHBondContact O-N 3.4Å; G418-Y420 VanDerWaalsContact C-N 3.31Å; G418-Y420 PolarHBondContact O-N 2.87Å; G418-R428 WeakPolarHBondContact O-CD 3.3Å; G418-R428 WeakPolarHBondContact O-CG 3.35Å; G418-R428 PolarHBondContact O-NH1 3.35Å; G418-Y429 CarbonylContact C-O 3.56Å; G418-Y429 VanDerWaalsContact C-O 3.23Å; G418-Y429 WeakPolarHBondContact CA-O 3.5Å
419	K	74.1	Confident	74.7	Confident	185 Å²	185	76.3 Å²	76.3	80%	0.804	41%	0.408	S	S	*	.	S	Bend	trans	-76.3	-14.8	-177.1	-62.1	-169.8	177.8	-168.6	0	114.3	Y429	K419-Y429 PolarHBondContact N-O 3.23Å; K419-Y429 VanDerWaalsContact N-O 3.1Å
420	Y	76.6	Confident	74.3	Confident	97 Å²	97	79 Å²	79	38%	0.38	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.4	-172.6	-57.9	-88.7	0	0	0	110.4	G418 R428 Y429 F435	G418-Y420 VanDerWaalsContact C-N 3.31Å; G418-Y420 PolarHBondContact O-N 2.87Å; Y420-R428 CarbonylContact O-C 3.52Å; Y420-R428 WeakPolarHBondContact O-CA 3.16Å; Y420-Y429 PolarHBondContact N-O 3.09Å; Y420-Y429 PolarHBondContact O-N 3.33Å; Y420-F435 HydrophobicContact CD1-CB 4.34Å; Y420-F435 AromaticContact CD1-CD1 3.87Å; Y420-F435 HydrophobicContact CD1-CD1 3.87Å; Y420-F435 HydrophobicContact CD1-CE1 4.48Å; Y420-F435 HydrophobicContact CD1-CG 4.24Å; Y420-F435 HydrophobicContact CG-CB 3.97Å; Y420-F435 HydrophobicContact CG-CD1 4.26Å; Y420-F435 HydrophobicContact CG-CG 4.16Å
421	L	77.8	Confident	74.2	Confident	91 Å²	91	84.5 Å²	84.5	48%	0.476	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.5	-179.9	-78.2	157.5	0	0	0	110.6	R428 F435	L421-R428 HydrophobicContact CD2-CB 4Å; L421-R428 HydrophobicContact CD2-CG 3.94Å; L421-R428 HydrophobicContact CG-CG 4.35Å; L421-F435 VanDerWaalsContact O-CE2 3.28Å; L421-F435 WeakPolarHBondContact O-CE2 3.24Å
422	C	82.7	Confident	74.3	Confident	6 Å²	6	83.4 Å²	83.4	4%	0.041	44%	0.437	C	S	.	.			trans	-86.7	110.5	169.9	-163.1	0	0	0	0	111.1	T424 C425 G426 K427 F435 H438	C422-T424 PolarHBondContact O-N 3.38Å; C422-T424 PolarHBondContact SG-OG1 3.33Å; C422-C425 PolarHBondContact O-N 2.84Å; C422-G426 WeakPolarHBondContact O-CA 3.18Å; C422-G426 PolarHBondContact O-N 3.46Å; C422-K427 WeakPolarHBondContact CB-O 3.37Å; C422-K427 PolarHBondContact N-O 2.93Å; C422-F435 HydrophobicContact CB-CE2 4.3Å; C422-H438 WeakPolarHBondContact CB-NE2 3.04Å; C422-H438 VanDerWaalsContact SG-CD2 3.55Å; C422-H438 PolarHBondContact SG-NE2 3.49Å
423	G	78.8	Confident	74.8	Confident	87 Å²	87	85.6 Å²	85.6	90%	0.897	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.8	179.8	0	0	0	0	0	114.7
424	T	77	Confident	75.3	Confident	78 Å²	78	81 Å²	81	48%	0.479	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-18	-178.7	52.7	0	0	0	0	114.7	C422 C442 P445	C422-T424 PolarHBondContact O-N 3.38Å; C422-T424 PolarHBondContact SG-OG1 3.33Å; T424-C442 PolarHBondContact OG1-SG 3.01Å; T424-P445 VanDerWaalsContact O-CD 3.28Å; T424-P445 WeakPolarHBondContact O-CD 3.38Å
425	C	82.4	Confident	75.8	Confident	37 Å²	37	80 Å²	80	25%	0.25	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	10.6	177.8	74.4	0	0	0	0	115	C422 K427 H438 C442	C422-C425 PolarHBondContact O-N 2.84Å; C425-K427 PolarHBondContact O-N 3.49Å; C425-K427 VanDerWaalsContact SG-CD 3.58Å; C425-K427 WeakPolarHBondContact SG-CG 3.4Å; C425-H438 PolarHBondContact SG-CE1 2.87Å; C425-H438 PolarHBondContact SG-NE2 3.48Å; C425-C442 PolarHBondContact SG-SG 2.66Å
426	G	76.9	Confident	76.7	Confident	55 Å²	55	81.8 Å²	81.8	57%	0.567	44%	0.443	S	S	*	.			trans	70.4	-10.1	179.6	0	0	0	0	0	116.1	C422 R428	C422-G426 WeakPolarHBondContact O-CA 3.18Å; C422-G426 PolarHBondContact O-N 3.46Å; G426-R428 PolarHBondContact O-N 2.88Å
427	K	77.6	Confident	78.1	Confident	120 Å²	120	85 Å²	85	52%	0.522	44%	0.436	S	S	.	.			trans	-60.8	132.4	-176.6	-69.4	176.4	-169.3	174.4	0	111.6	C422 C425 Y429	C422-K427 WeakPolarHBondContact CB-O 3.37Å; C422-K427 PolarHBondContact N-O 2.93Å; C425-K427 PolarHBondContact O-N 3.49Å; C425-K427 VanDerWaalsContact SG-CD 3.58Å; C425-K427 WeakPolarHBondContact SG-CG 3.4Å; K427-Y429 HydrophobicContact CB-CE2 3.54Å; K427-Y429 WeakPolarHBondContact O-CD2 3.32Å; K427-Y429 WeakPolarHBondContact O-CE2 3.29Å
428	R	78.8	Confident	79.2	Confident	136 Å²	136	78.1 Å²	78.1	51%	0.513	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.1	-174.2	-169	-175.2	-83.2	-99	12	110.7	G418 Y420 L421 G426	G418-R428 WeakPolarHBondContact O-CD 3.3Å; G418-R428 WeakPolarHBondContact O-CG 3.35Å; G418-R428 PolarHBondContact O-NH1 3.35Å; Y420-R428 CarbonylContact O-C 3.52Å; Y420-R428 WeakPolarHBondContact O-CA 3.16Å; L421-R428 HydrophobicContact CD2-CB 4Å; L421-R428 HydrophobicContact CD2-CG 3.94Å; L421-R428 HydrophobicContact CG-CG 4.35Å; G426-R428 PolarHBondContact O-N 2.88Å
429	Y	77.8	Confident	80.2	Confident	48 Å²	48	85 Å²	85	19%	0.188	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141	-171.7	-66.7	-90.2	0	0	0	111.8	G418 K419 Y420 K427 F435 H438	G418-Y429 CarbonylContact C-O 3.56Å; G418-Y429 VanDerWaalsContact C-O 3.23Å; G418-Y429 WeakPolarHBondContact CA-O 3.5Å; K419-Y429 PolarHBondContact N-O 3.23Å; K419-Y429 VanDerWaalsContact N-O 3.1Å; Y420-Y429 PolarHBondContact N-O 3.09Å; Y420-Y429 PolarHBondContact O-N 3.33Å; K427-Y429 HydrophobicContact CB-CE2 3.54Å; K427-Y429 WeakPolarHBondContact O-CD2 3.32Å; K427-Y429 WeakPolarHBondContact O-CE2 3.29Å; Y429-F435 HydrophobicContact CD2-CB 4.46Å; Y429-F435 HydrophobicContact CD2-CD2 4.11Å; Y429-F435 HydrophobicContact CG-CB 4.2Å; Y429-H438 HydrophobicContact CE1-CB 3.79Å; Y429-H438 HydrophobicContact CE2-CB 3.88Å; Y429-H438 AromaticContact CE2-CD2 3.1Å; Y429-H438 WeakPolarHBondContact CE2-CD2 3.47Å; Y429-H438 AromaticContact CE2-CG 3.51Å; Y429-H438 AromaticContact CE2-NE2 3.79Å; Y429-H438 VanDerWaalsContact CZ-CB 3.44Å; Y429-H438 AromaticContact CZ-CD2 3.42Å; Y429-H438 VanDerWaalsContact CZ-CD2 3.42Å; Y429-H438 AromaticContact CZ-CG 3.28Å; Y429-H438 AromaticContact CZ-ND1 3.96Å; Y429-H438 PolarHBondContact OH-CD2 3.35Å; Y429-H438 PolarHBondContact OH-ND1 3.47Å
430	R	74.9	Confident	80.6	Confident	76 Å²	76	82.7 Å²	82.7	29%	0.287	42%	0.424	S	S	.	.	S	Bend	trans	-83	-33.5	-177.5	-51.7	-178.8	82.6	121.9	-2.6	112.7	D411 G412 K413 R415	D411-R430 PolarHBondContact O-NE 2.92Å; D411-R430 PolarHBondContact O-NH2 3.34Å; G412-R430 VanDerWaalsContact C-NE 3.34Å; G412-R430 VanDerWaalsContact CA-NH2 3.29Å; G412-R430 PolarHBondContact O-NE 3.17Å; G412-R430 VanDerWaalsContact O-NE 3.15Å; G412-R430 PolarHBondContact O-NH1 2.85Å; G412-R430 PolarHBondContact O-NH2 3.3Å; K413-R430 VanDerWaalsContact N-NH2 3.11Å; R415-R430 PolarHBondContact O-NH1 3Å; R415-R430 PolarHBondContact O-NH2 3.3Å
431	W	76.5	Confident	80.9	Confident	127 Å²	127	83.4 Å²	83.4	48%	0.481	44%	0.438	S	S	.	.	S	Bend	trans	-118.7	140.8	-177	-54	113.3	0	0	0	111.3	Q408 A433 S434 F435	Q408-W431 HydrophobicContact CB-CH2 4.46Å; Q408-W431 HydrophobicContact CG-CH2 4.24Å; W431-A433 PolarHBondContact O-N 3.44Å; W431-S434 PolarHBondContact O-N 2.9Å; W431-S434 VanDerWaalsContact O-N 3.16Å; W431-F435 PolarHBondContact O-N 3.34Å; W431-F435 VanDerWaalsContact O-N 3.1Å
432	G	79.6	Confident	81	Confident	27 Å²	27	80.5 Å²	80.5	28%	0.278	43%	0.425	S	S	.	.	H	α-helix	trans	-61.2	-31.8	179.4	0	0	0	0	0	113.4	F435 Y436	G432-F435 PolarHBondContact O-N 3.31Å; G432-Y436 VanDerWaalsContact O-CB 3.32Å; G432-Y436 WeakPolarHBondContact O-CB 3.5Å; G432-Y436 PolarHBondContact O-N 2.98Å
433	A	84.2	Confident	80.3	Confident	63 Å²	63	84.3 Å²	84.3	52%	0.521	46%	0.457	S	S	.	.	H	α-helix	trans	-64.7	-46.4	174.3	0	0	0	0	0	112.2	W431 F435 Y436 Y437	W431-A433 PolarHBondContact O-N 3.44Å; A433-F435 VanDerWaalsContact C-N 3.32Å; A433-F435 PolarHBondContact O-N 2.93Å; A433-Y436 WeakPolarHBondContact O-CB 3.49Å; A433-Y436 PolarHBondContact O-N 3.49Å; A433-Y437 WeakPolarHBondContact O-CD2 3.31Å; A433-Y437 PolarHBondContact O-N 2.95Å
434	S	82.3	Confident	79.4	Confident	53 Å²	53	82.3 Å²	82.3	37%	0.371	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-39.5	177.6	-49.4	0	0	0	0	111.8	W431 H438	W431-S434 PolarHBondContact O-N 2.9Å; W431-S434 VanDerWaalsContact O-N 3.16Å; S434-H438 WeakPolarHBondContact O-CB 3.29Å; S434-H438 PolarHBondContact O-N 3.03Å
435	F	85.9	Confident	78.4	Confident	46 Å²	46	83.8 Å²	83.8	20%	0.202	45%	0.447	C	S	.	.	H	α-helix	trans	-62.3	-44.2	172	174.5	-117.1	0	0	0	112.5	Y420 L421 C422 Y429 W431 G432 A433 H438 K439	Y420-F435 HydrophobicContact CD1-CB 4.34Å; Y420-F435 AromaticContact CD1-CD1 3.87Å; Y420-F435 HydrophobicContact CD1-CD1 3.87Å; Y420-F435 HydrophobicContact CD1-CE1 4.48Å; Y420-F435 HydrophobicContact CD1-CG 4.24Å; Y420-F435 HydrophobicContact CG-CB 3.97Å; Y420-F435 HydrophobicContact CG-CD1 4.26Å; Y420-F435 HydrophobicContact CG-CG 4.16Å; L421-F435 VanDerWaalsContact O-CE2 3.28Å; L421-F435 WeakPolarHBondContact O-CE2 3.24Å; C422-F435 HydrophobicContact CB-CE2 4.3Å; Y429-F435 HydrophobicContact CD2-CB 4.46Å; Y429-F435 HydrophobicContact CD2-CD2 4.11Å; Y429-F435 HydrophobicContact CG-CB 4.2Å; W431-F435 PolarHBondContact O-N 3.34Å; W431-F435 VanDerWaalsContact O-N 3.1Å; G432-F435 PolarHBondContact O-N 3.31Å; A433-F435 VanDerWaalsContact C-N 3.32Å; A433-F435 PolarHBondContact O-N 2.93Å; F435-H438 PolarHBondContact O-N 3.18Å; F435-K439 HydrophobicContact CZ-CD 4.37Å; F435-K439 WeakPolarHBondContact O-CB 3.39Å; F435-K439 PolarHBondContact O-N 2.97Å
436	Y	86.1	Confident	76.6	Confident	130 Å²	130	88.3 Å²	88.3	51%	0.51	47%	0.473	S	S	.	.	H	α-helix	trans	-61.8	-44.6	179.1	176.9	-95.8	0	0	0	112.3	G432 A433 K439 K440	G432-Y436 VanDerWaalsContact O-CB 3.32Å; G432-Y436 WeakPolarHBondContact O-CB 3.5Å; G432-Y436 PolarHBondContact O-N 2.98Å; A433-Y436 WeakPolarHBondContact O-CB 3.49Å; A433-Y436 PolarHBondContact O-N 3.49Å; Y436-K439 PolarHBondContact O-N 3.41Å; Y436-K440 HydrophobicContact CE1-CD 4.2Å; Y436-K440 VanDerWaalsContact CE1-CE 3.49Å; Y436-K440 PolarHBondContact O-N 3.08Å; Y436-K440 WeakPolarHBondContact OH-CE 3.38Å; Y436-K440 PolarHBondContact OH-NZ 3.26Å
437	Y	85.6	Confident	74.6	Confident	160 Å²	160	91 Å²	91	63%	0.627	48%	0.484	S	S	*	.	H	α-helix	trans	-65.2	-43	174.9	-74.3	-63.8	0	0	0	112.3	A433 K440 T441	A433-Y437 WeakPolarHBondContact O-CD2 3.31Å; A433-Y437 PolarHBondContact O-N 2.95Å; Y437-K440 WeakPolarHBondContact O-CB 3.46Å; Y437-K440 PolarHBondContact O-N 3.41Å; Y437-T441 PolarHBondContact O-N 3.15Å; Y437-T441 PolarHBondContact O-OG1 2.61Å
438	H	84.2	Confident	72.5	Confident	17 Å²	17	90.9 Å²	90.9	8%	0.079	50%	0.497	C	S	.	.	H	α-helix	trans	-63.9	-42.2	175.6	168.8	58	0	0	0	113	C422 C425 Y429 S434 F435 K440 T441 C442	C422-H438 WeakPolarHBondContact CB-NE2 3.04Å; C422-H438 VanDerWaalsContact SG-CD2 3.55Å; C422-H438 PolarHBondContact SG-NE2 3.49Å; C425-H438 PolarHBondContact SG-CE1 2.87Å; C425-H438 PolarHBondContact SG-NE2 3.48Å; Y429-H438 HydrophobicContact CE1-CB 3.79Å; Y429-H438 HydrophobicContact CE2-CB 3.88Å; Y429-H438 AromaticContact CE2-CD2 3.1Å; Y429-H438 WeakPolarHBondContact CE2-CD2 3.47Å; Y429-H438 AromaticContact CE2-CG 3.51Å; Y429-H438 AromaticContact CE2-NE2 3.79Å; Y429-H438 VanDerWaalsContact CZ-CB 3.44Å; Y429-H438 AromaticContact CZ-CD2 3.42Å; Y429-H438 VanDerWaalsContact CZ-CD2 3.42Å; Y429-H438 AromaticContact CZ-CG 3.28Å; Y429-H438 AromaticContact CZ-ND1 3.96Å; Y429-H438 PolarHBondContact OH-CD2 3.35Å; Y429-H438 PolarHBondContact OH-ND1 3.47Å; S434-H438 WeakPolarHBondContact O-CB 3.29Å; S434-H438 PolarHBondContact O-N 3.03Å; F435-H438 PolarHBondContact O-N 3.18Å; H438-K440 PolarHBondContact O-N 2.88Å; H438-K440 VanDerWaalsContact O-N 3.16Å; H438-T441 CarbonylContact O-C 3.36Å; H438-T441 PolarHBondContact O-N 3.27Å; H438-T441 PolarHBondContact O-OG1 2.81Å; H438-C442 PolarHBondContact CE1-SG 3.48Å; H438-C442 WeakPolarHBondContact O-CB 3.42Å; H438-C442 PolarHBondContact O-N 3.37Å
439	K	84.5	Confident	70.4	Confident	147 Å²	147	90.8 Å²	90.8	64%	0.639	51%	0.511	S	S	*	.	H	α-helix	trans	-58.3	-29.4	177.7	-176.3	176.1	177.9	179.6	0	111.8	F435 Y436	F435-K439 HydrophobicContact CZ-CD 4.37Å; F435-K439 WeakPolarHBondContact O-CB 3.39Å; F435-K439 PolarHBondContact O-N 2.97Å; Y436-K439 PolarHBondContact O-N 3.41Å
440	K	82.2	Confident	68.6	Low	136 Å²	136	96.1 Å²	96.1	59%	0.591	54%	0.542	S	S	*	.	H	α-helix	trans	-75.9	-21	173.7	-73.8	-175.3	174.5	-175.4	0	114.7	Y436 Y437 H438	Y436-K440 HydrophobicContact CE1-CD 4.2Å; Y436-K440 VanDerWaalsContact CE1-CE 3.49Å; Y436-K440 PolarHBondContact O-N 3.08Å; Y436-K440 WeakPolarHBondContact OH-CE 3.38Å; Y436-K440 PolarHBondContact OH-NZ 3.26Å; Y437-K440 WeakPolarHBondContact O-CB 3.46Å; Y437-K440 PolarHBondContact O-N 3.41Å; H438-K440 PolarHBondContact O-N 2.88Å; H438-K440 VanDerWaalsContact O-N 3.16Å
441	T	83.1	Confident	66.7	Low	112 Å²	112	97 Å²	97	69%	0.687	56%	0.559	S	S	*	*	H	α-helix	trans	-116.4	4.5	-173.8	60.6	0	0	0	0	114	Y437 H438 A443	Y437-T441 PolarHBondContact O-N 3.15Å; Y437-T441 PolarHBondContact O-OG1 2.61Å; H438-T441 CarbonylContact O-C 3.36Å; H438-T441 PolarHBondContact O-N 3.27Å; H438-T441 PolarHBondContact O-OG1 2.81Å; T441-A443 PolarHBondContact O-N 2.95Å; T441-A443 VanDerWaalsContact O-N 3.17Å
442	C	80.7	Confident	65.1	Low	29 Å²	29	95.6 Å²	95.6	20%	0.196	57%	0.569	C	S	.	*			trans	-83.5	91.4	-175	-165.7	0	0	0	0	112.4	T424 C425 H438	T424-C442 PolarHBondContact OG1-SG 3.01Å; C425-C442 PolarHBondContact SG-SG 2.66Å; H438-C442 PolarHBondContact CE1-SG 3.48Å; H438-C442 WeakPolarHBondContact O-CB 3.42Å; H438-C442 PolarHBondContact O-N 3.37Å
443	A	67.6	Low	63.5	Low	87 Å²	87	103 Å²	103	72%	0.719	60%	0.597	S	S	*	*			trans	-66.6	145.4	153.2	0	0	0	0	0	109.6	T441	T441-A443 PolarHBondContact O-N 2.95Å; T441-A443 VanDerWaalsContact O-N 3.17Å
444	G	59.8	Low	61.1	Low	45 Å²	45	106.7 Å²	106.7	46%	0.464	61%	0.613	S	S	.	*			trans	-66.9	-179	-172.7	0	0	0	0	0	115.2	V446	G444-V446 PolarHBondContact O-N 3.07Å
445	P	56.6	Low	59.2	Low	108 Å²	108	109.5 Å²	109.5	70%	0.701	63%	0.63	S	S	*	*			trans	-80.2	113.1	-177.1	29.6	-20.3	0	0	0	109.3	T424 S447	T424-P445 VanDerWaalsContact O-CD 3.28Å; T424-P445 WeakPolarHBondContact O-CD 3.38Å; P445-S447 PolarHBondContact O-N 2.77Å
446	V	44.5	Very low	57	Low	132 Å²	132	115.6 Å²	115.6	80%	0.8	66%	0.659	S	S	*	*			trans	-70.7	117.4	168.2	-174.5	0	0	0	0	107.6	G444 C448	G444-V446 PolarHBondContact O-N 3.07Å; V446-C448 PolarHBondContact O-N 3.02Å
447	S	34.5	Very low	54.6	Low	112 Å²	112	117.4 Å²	117.4	78%	0.783	68%	0.676	S	S	*	*			trans	-74.5	113.9	176	52.9	0	0	0	0	110.4	P445	P445-S447 PolarHBondContact O-N 2.77Å
448	C	33	Very low	52.6	Low	118 Å²	118	116.1 Å²	116.1	80%	0.797	69%	0.685	S	S	*	*			trans	-135.7	127.6	167.1	-84.3	0	0	0	0	110.1	V446	V446-C448 PolarHBondContact O-N 3.02Å
449	V	34.8	Very low	50.3	Low	133 Å²	133	121.4 Å²	121.4	81%	0.806	72%	0.718	S	S	*	*			trans	-91	122.5	-178.3	173.1	0	0	0	0	109.2
450	L	39.5	Very low	48.1	Very low	161 Å²	161	119.8 Å²	119.8	84%	0.843	72%	0.721	S	S	*	*			trans	-158.6	107.8	154.4	-92.4	125.6	0	0	0	105.6
451	S	36.4	Very low	46.1	Very low	93 Å²	93	121.9 Å²	121.9	65%	0.65	73%	0.733	S	S	*	*				96	139.5	70.5	-76.9	0	0	0	0	111.7
452	S	42.1	Very low	43.9	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	76%	0.763	S	S	*	*			trans	62.5	109.1	165.3	44.6	0	0	0	0	119.9
453	Q	45.3	Very low	42	Very low	183 Å²	183	131.7 Å²	131.7	86%	0.855	79%	0.791	S	S	*	*				72.8	105.8	126.3	-61.6	164.1	26.8	0	0	119
454	T	34.5	Very low	40.7	Very low	141 Å²	141	134 Å²	134	87%	0.865	80%	0.795	S	S	*	*			trans	-62.7	136.1	142.8	49.6	0	0	0	0	109.5
455	P	42	Very low	39.6	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	81%	0.813	S	S	*	*				-145.1	163.9	100.4	35.4	-18.8	0	0	0	116
456	E	40.7	Very low	38.6	Very low	175 Å²	175	140.8 Å²	140.8	82%	0.818	82%	0.82	S	S	*	*			trans	33.2	110.6	148.6	-59	-169.6	128.2	0	0	121.9	V458	E456-V458 PolarHBondContact O-N 2.67Å
457	L	36	Very low	38.2	Very low	167 Å²	167	141.3 Å²	141.3	87%	0.874	82%	0.821	S	S	*	*				28.6	88.3	124.9	-68.4	165.6	0	0	0	118.7
458	V	42.5	Very low	38.5	Very low	133 Å²	133	143.3 Å²	143.3	81%	0.806	82%	0.823	S	S	*	*			trans	-136.2	117.7	137.8	-177.1	0	0	0	0	109.7	E456	E456-V458 PolarHBondContact O-N 2.67Å
459	T	36.1	Very low	38.9	Very low	128 Å²	128	145.1 Å²	145.1	79%	0.785	83%	0.825	S	S	*	*			trans	-77.4	129.7	167.2	47.3	0	0	0	0	110.3
460	T	38.8	Very low	39.2	Very low	114 Å²	114	146 Å²	146	70%	0.699	83%	0.827	S	S	*	*			trans	-166.3	132.3	143.4	13.3	0	0	0	0	112.4
461	H	39.2	Very low	39.2	Very low	180 Å²	180	144.8 Å²	144.8	83%	0.833	83%	0.825	S	S	*	*			trans	49.7	84.6	157.2	-62	-64.9	0	0	0	120.6
462	T	36.3	Very low	39.4	Very low	214 Å²	214	149.5 Å²	149.5	100%	1.313	84%	0.841	S	S	*	*			trans	-78.4	0	144.9	56.3	0	0	0	0	112.7

Retrieved 462 of 462 residues in 117.1 ms (Link to these results)

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