A0A3Q0KL82_SCHMA Loading...

Putative regulator of G protein signaling

AlphaFold DB (A0A5K4ELW2), UniProt , Accession A0A3Q0KL82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 679 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	75	Confident	87.8	Confident	131 Å²	131	76.1 Å²	76.1	65%	0.645	39%	0.389	S	S	*	.				0	139.9	0	-176.9	177.5	-178.2	0	0	108.7	S79 E81	M1-S79 PolarHBondContact N-O 3.02Å; M1-S79 PolarHBondContact O-N 3.13Å; M1-E81 VanDerWaalsContact CA-OE1 3.28Å; M1-E81 WeakPolarHBondContact CA-OE1 3.43Å; M1-E81 WeakPolarHBondContact CB-OE1 3.1Å; M1-E81 PolarHBondContact N-OE1 3Å
2	R	88	Confident	87.1	Confident	140 Å²	140	76 Å²	76	53%	0.528	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142.7	169.3	-68.1	-174	-178	-157.1	-11.1	110.9	L47 V77 E78	R2-L47 HydrophobicContact CG-CD1 4.13Å; R2-V77 WeakPolarHBondContact CA-O 3.39Å; R2-E78 HydrophobicContact CG-CB 4.1Å; R2-E78 HydrophobicContact CG-CG 4.13Å; R2-E78 VanDerWaalsContact CG-OE1 3.24Å; R2-E78 WeakPolarHBondContact CG-OE1 3.36Å; R2-E78 IonicContact CZ-OE1 3.18Å; R2-E78 IonicContact CZ-OE2 3.57Å; R2-E78 IonicContact NE-OE1 2.75Å; R2-E78 PolarHBondContact NE-OE1 3.44Å; R2-E78 IonicContact NE-OE2 2.76Å; R2-E78 PolarHBondContact NE-OE2 3.41Å; R2-E78 IonicContact NH2-OE1 2.67Å; R2-E78 PolarHBondContact NH2-OE1 3.03Å; R2-E78 IonicContact NH2-OE2 3.28Å; R2-E78 PolarHBondContact NH2-OE2 3.27Å
3	R	89.3	Confident	87	Confident	60 Å²	60	70.3 Å²	70.3	23%	0.226	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	148.2	179.8	61.2	-151.3	-173.8	96.9	-0.7	111.2	V5 G39 D44 V77 S79	R3-V5 HydrophobicContact CG-CG2 4.25Å; R3-G39 VanDerWaalsContact CZ-O 3.25Å; R3-G39 PolarHBondContact NH1-O 3.1Å; R3-G39 PolarHBondContact NH2-O 3.34Å; R3-D44 IonicContact CZ-OD2 3.44Å; R3-D44 IonicContact NE-OD1 2.71Å; R3-D44 IonicContact NH2-OD1 3.81Å; R3-D44 PolarHBondContact NH2-OD1 3.15Å; R3-D44 IonicContact NH2-OD2 3.95Å; R3-D44 PolarHBondContact NH2-OD2 3.45Å; R3-V77 HydrophobicContact CG-CG2 3.61Å; R3-V77 PolarHBondContact N-O 3.42Å; R3-V77 PolarHBondContact O-N 3.26Å; R3-S79 PolarHBondContact NE-OG 3.15Å
4	V	91.3	Very high	87.2	Confident	102 Å²	102	65.8 Å²	65.8	62%	0.618	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.8	168.9	-178.3	0	0	0	0	108.3	I75 E76	V4-I75 CarbonylContact C-O 3.58Å; V4-I75 WeakPolarHBondContact CA-O 3.16Å; V4-E76 HydrophobicContact CG2-CB 4.33Å; V4-E76 HydrophobicContact CG2-CG 4.19Å
5	V	92	Very high	87.3	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.8	-178.6	-179.2	0	0	0	0	109.2	R3 I7 S38 V40 F74 I75 V77	R3-V5 HydrophobicContact CG-CG2 4.25Å; V5-I7 HydrophobicContact CG1-CG1 3.89Å; V5-S38 VanDerWaalsContact CG1-O 3.25Å; V5-S38 WeakPolarHBondContact CG1-O 3.35Å; V5-V40 HydrophobicContact CG1-CG2 3.82Å; V5-F74 WeakPolarHBondContact O-CA 3.1Å; V5-I75 HydrophobicContact CB-CG1 3.95Å; V5-I75 PolarHBondContact N-O 2.76Å; V5-I75 PolarHBondContact O-N 3.36Å; V5-V77 HydrophobicContact CG2-CG2 4.27Å
6	E	93.1	Very high	87.4	Confident	82 Å²	82	59 Å²	59	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.6	171.2	-178.1	-176.1	141.5	0	0	109.3	S38 K72 F74	E6-S38 WeakPolarHBondContact O-CB 3.24Å; E6-S38 PolarHBondContact O-OG 3.25Å; E6-K72 HydrophobicContact CG-CB 4.38Å; E6-K72 VanDerWaalsContact OE1-CD 3.24Å; E6-K72 WeakPolarHBondContact OE1-CD 3.34Å; E6-K72 WeakPolarHBondContact OE1-CE 3.22Å; E6-K72 IonicContact OE1-NZ 2.57Å; E6-K72 PolarHBondContact OE1-NZ 2.98Å; E6-F74 HydrophobicContact CB-CD1 3.99Å; E6-F74 HydrophobicContact CB-CE1 3.77Å; E6-F74 HydrophobicContact CG-CD1 4.1Å; E6-F74 HydrophobicContact CG-CE1 3.55Å; E6-F74 HydrophobicContact CG-CZ 3.8Å; E6-F74 VanDerWaalsContact OE2-CE1 3.27Å; E6-F74 WeakPolarHBondContact OE2-CE1 3.49Å
7	I	93.3	Very high	87.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.2	-179.2	-43.3	175.1	0	0	0	109.7	V5 Y14 F16 A35 V40 L73 I75	V5-I7 HydrophobicContact CG1-CG1 3.89Å; I7-Y14 HydrophobicContact CB-CD1 4.05Å; I7-Y14 HydrophobicContact CG2-CD1 3.78Å; I7-Y14 HydrophobicContact CG2-CG 4.45Å; I7-Y14 WeakPolarHBondContact O-CE1 3.42Å; I7-F16 HydrophobicContact CD1-CD1 4.21Å; I7-F16 HydrophobicContact CD1-CE1 3.75Å; I7-A35 HydrophobicContact CD1-CB 4.24Å; I7-A35 HydrophobicContact CG2-CB 4.34Å; I7-V40 HydrophobicContact CD1-CG2 3.56Å; I7-V40 HydrophobicContact CG1-CG2 4.14Å; I7-L73 HydrophobicContact CB-CB 4.4Å; I7-L73 HydrophobicContact CD1-CD2 4.36Å; I7-L73 PolarHBondContact N-O 2.71Å; I7-L73 PolarHBondContact O-N 2.96Å; I7-I75 HydrophobicContact CD1-CD1 3.9Å; I7-I75 HydrophobicContact CD1-CG1 4.32Å
8	P	90.4	Very high	87.4	Confident	62 Å²	62	61.1 Å²	61.1	40%	0.403	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.4	173.8	29.4	-33.3	0	0	0	110.2	S10 S34 S38	P8-S10 PolarHBondContact O-N 2.67Å; P8-S34 WeakPolarHBondContact O-CB 3.41Å; P8-S34 PolarHBondContact O-OG 3.29Å; P8-S38 WeakPolarHBondContact CD-OG 3.49Å
9	R	87.3	Confident	87.1	Confident	81 Å²	81	62.4 Å²	62.4	31%	0.306	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-66.7	127.3	177.8	-167.2	172.7	-179.5	123.8	4.3	110	Y14 C69 H70 E71	R9-Y14 HydrophobicContact CB-CD1 4.42Å; R9-Y14 HydrophobicContact CB-CE1 3.63Å; R9-Y14 HydrophobicContact CG-CE1 4.03Å; R9-C69 PolarHBondContact NH1-O 2.98Å; R9-H70 VanDerWaalsContact CD-O 3.28Å; R9-H70 WeakPolarHBondContact CD-O 3.48Å; R9-E71 VanDerWaalsContact CB-O 3.31Å; R9-E71 WeakPolarHBondContact CB-O 3.44Å; R9-E71 PolarHBondContact N-O 3.05Å
10	S	85.1	Confident	86.6	Confident	29 Å²	29	62.1 Å²	62.1	20%	0.203	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-99.2	170	172.6	79.2	0	0	0	0	111	P8 S12 G13	P8-S10 PolarHBondContact O-N 2.67Å; S10-S12 PolarHBondContact O-N 3.18Å; S10-S12 VanDerWaalsContact O-N 3.15Å; S10-S12 PolarHBondContact OG-N 2.97Å; S10-S12 PolarHBondContact OG-OG 3.37Å; S10-G13 WeakPolarHBondContact CA-O 3.24Å; S10-G13 WeakPolarHBondContact CB-O 3.48Å; S10-G13 PolarHBondContact N-O 2.8Å; S10-G13 PolarHBondContact O-N 2.67Å; S10-G13 PolarHBondContact OG-O 2.91Å
11	P	81.4	Confident	86	Confident	143 Å²	143	64 Å²	64	93%	0.929	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18	171.5	-24.9	35.9	0	0	0	114.5
12	S	78.8	Confident	86.2	Confident	75 Å²	75	63.7 Å²	63.7	52%	0.524	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	38.5	172.3	50.3	0	0	0	0	112.3	S10 K679	S10-S12 PolarHBondContact O-N 3.18Å; S10-S12 VanDerWaalsContact O-N 3.15Å; S10-S12 PolarHBondContact OG-N 2.97Å; S10-S12 PolarHBondContact OG-OG 3.37Å; S12-K679 WeakPolarHBondContact CA-OXT 3.27Å
13	G	86.2	Confident	85.8	Confident	2 Å²	2	59.1 Å²	59.1	2%	0.021	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	67.9	-140.6	179.6	0	0	0	0	0	112.5	S10 K679	S10-G13 WeakPolarHBondContact CA-O 3.24Å; S10-G13 WeakPolarHBondContact CB-O 3.48Å; S10-G13 PolarHBondContact N-O 2.8Å; S10-G13 PolarHBondContact O-N 2.67Å; S10-G13 PolarHBondContact OG-O 2.91Å; G13-K679 PolarHBondContact N-OXT 3.03Å
14	Y	89.7	Confident	85.6	Confident	7 Å²	7	56.2 Å²	56.2	3%	0.027	29%	0.291	C	S	.	.	S	Bend	trans	-96.2	-23.2	179.4	-60.2	-68.6	0	0	0	113.4	I7 R9 F16 A35 I66 C69 L73	I7-Y14 HydrophobicContact CB-CD1 4.05Å; I7-Y14 HydrophobicContact CG2-CD1 3.78Å; I7-Y14 HydrophobicContact CG2-CG 4.45Å; I7-Y14 WeakPolarHBondContact O-CE1 3.42Å; R9-Y14 HydrophobicContact CB-CD1 4.42Å; R9-Y14 HydrophobicContact CB-CE1 3.63Å; R9-Y14 HydrophobicContact CG-CE1 4.03Å; Y14-F16 HydrophobicContact CG-CE1 4.35Å; Y14-A35 WeakPolarHBondContact O-CB 3.38Å; Y14-A35 PolarHBondContact O-N 3.28Å; Y14-I66 HydrophobicContact CD2-CG2 3.99Å; Y14-I66 HydrophobicContact CE2-CG2 4.11Å; Y14-C69 WeakPolarHBondContact OH-CB 3.47Å; Y14-C69 PolarHBondContact OH-O 3.38Å; Y14-C69 PolarHBondContact OH-SG 2.89Å; Y14-L73 HydrophobicContact CD1-CB 4.01Å; Y14-L73 HydrophobicContact CD1-CD2 4.43Å; Y14-L73 HydrophobicContact CD2-CD2 3.98Å; Y14-L73 HydrophobicContact CE1-CB 3.55Å; Y14-L73 HydrophobicContact CE2-CB 4.16Å; Y14-L73 HydrophobicContact CE2-CD2 4.16Å; Y14-L73 HydrophobicContact CG-CB 4.5Å; Y14-L73 HydrophobicContact CG-CD2 4.13Å
15	G	88.3	Confident	85.4	Confident	5 Å²	5	53 Å²	53	5%	0.052	27%	0.27	C	S	.	.			trans	80.3	30.6	175.5	0	0	0	0	0	116.2	L30 S33	G15-L30 WeakPolarHBondContact O-CB 3.46Å; G15-L30 PolarHBondContact O-N 3.18Å; G15-S33 PolarHBondContact O-OG 3.47Å
16	F	90	Very high	85.1	Confident	18 Å²	18	52.8 Å²	52.8	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.3	168	69.6	-83	0	0	0	111.4	I7 Y14 L18 I26 H28 V29 A35 I66 L73	I7-F16 HydrophobicContact CD1-CD1 4.21Å; I7-F16 HydrophobicContact CD1-CE1 3.75Å; Y14-F16 HydrophobicContact CG-CE1 4.35Å; F16-L18 HydrophobicContact CD2-CD2 4.33Å; F16-L18 HydrophobicContact CE2-CD2 3.97Å; F16-L18 HydrophobicContact CE2-CG 4.32Å; F16-I26 HydrophobicContact CB-CG2 4.11Å; F16-I26 HydrophobicContact CD2-CD1 4.17Å; F16-I26 HydrophobicContact CD2-CG1 4.22Å; F16-I26 HydrophobicContact CD2-CG2 4.07Å; F16-I26 HydrophobicContact CE2-CD1 4.31Å; F16-I26 HydrophobicContact CE2-CG1 4.49Å; F16-I26 HydrophobicContact CG-CG2 4.47Å; F16-H28 CarbonylContact C-O 3.35Å; F16-H28 VanDerWaalsContact CA-O 3.29Å; F16-H28 WeakPolarHBondContact CA-O 3.45Å; F16-V29 HydrophobicContact CB-CG2 4.29Å; F16-A35 HydrophobicContact CB-CB 4.07Å; F16-A35 HydrophobicContact CD1-CB 3.77Å; F16-A35 HydrophobicContact CG-CB 4.34Å; F16-I66 HydrophobicContact CE2-CD1 4.27Å; F16-I66 HydrophobicContact CZ-CD1 4.08Å; F16-L73 HydrophobicContact CE1-CD2 3.9Å; F16-L73 HydrophobicContact CZ-CD2 3.85Å
17	R	86.2	Confident	84.7	Confident	133 Å²	133	52 Å²	52	50%	0.502	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.9	177.4	179.3	-176.9	-68.8	169.4	0.3	110.3	I26 D27 H28	R17-I26 CarbonylContact O-C 3.51Å; R17-I26 WeakPolarHBondContact O-CA 3.25Å; R17-D27 HydrophobicContact CB-CB 4.33Å; R17-D27 WeakPolarHBondContact CD-OD2 3.25Å; R17-D27 HydrophobicContact CG-CB 4.18Å; R17-D27 PolarHBondContact O-N 3.45Å; R17-H28 HydrophobicContact CB-CB 4.43Å; R17-H28 PolarHBondContact N-O 2.92Å
18	L	88.3	Confident	84.3	Confident	23 Å²	23	56.5 Å²	56.5	12%	0.12	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	151.4	169.9	-63.8	178.8	0	0	0	112	F16 C24 L25 I26 L46 H59 V62 I66	F16-L18 HydrophobicContact CD2-CD2 4.33Å; F16-L18 HydrophobicContact CE2-CD2 3.97Å; F16-L18 HydrophobicContact CE2-CG 4.32Å; L18-C24 HydrophobicContact CD1-CB 4.46Å; L18-C24 HydrophobicContact CD2-CB 4.48Å; L18-L25 CarbonylContact C-O 3.49Å; L18-L25 VanDerWaalsContact CA-O 3.26Å; L18-L25 WeakPolarHBondContact CA-O 3.31Å; L18-I26 HydrophobicContact CD2-CG1 4.02Å; L18-L46 HydrophobicContact CD1-CD2 4.34Å; L18-L46 HydrophobicContact CD2-CD2 4.14Å; L18-H59 VanDerWaalsContact CB-CE1 3.48Å; L18-H59 WeakPolarHBondContact CB-CE1 3.3Å; L18-H59 PolarHBondContact O-CE1 3.06Å; L18-V62 HydrophobicContact CD1-CB 4.44Å; L18-V62 HydrophobicContact CD1-CG1 3.52Å; L18-I66 HydrophobicContact CD1-CD1 3.8Å
19	K	82	Confident	84.1	Confident	85 Å²	85	54.3 Å²	54.3	37%	0.37	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	162.1	168.1	174.4	-177	168.1	-161.2	0	108.9	L25 D27 D173	K19-L25 PolarHBondContact N-O 3.02Å; K19-L25 PolarHBondContact O-N 3.14Å; K19-D27 HydrophobicContact CB-CB 3.62Å; K19-D27 VanDerWaalsContact CD-OD1 3.24Å; K19-D27 WeakPolarHBondContact CD-OD1 3.33Å; K19-D173 IonicContact NZ-OD1 2.69Å; K19-D173 PolarHBondContact NZ-OD1 3.45Å
20	N	75.3	Confident	83.7	Confident	57 Å²	57	54.9 Å²	54.9	31%	0.305	28%	0.282	S	S	.	.			trans	67.5	158.3	-172.8	-64.6	2.7	0	0	0	113.6	L25 H59	N20-L25 HydrophobicContact CB-CD1 4.08Å; N20-L25 VanDerWaalsContact ND2-CD1 3.32Å; N20-L25 WeakPolarHBondContact ND2-CD1 3.15Å; N20-H59 PolarHBondContact O-ND1 2.93Å
21	E	74.5	Confident	83.6	Confident	102 Å²	102	59.5 Å²	59.5	48%	0.477	31%	0.309	S	S	.	.	S	Bend	trans	-81	-62.7	172.6	-77.2	-62.3	143.6	0	0	111.2	C24 H59	E21-C24 PolarHBondContact O-SG 2.93Å; E21-H59 WeakPolarHBondContact OE1-CB 3.16Å; E21-H59 PolarHBondContact OE2-N 3.37Å
22	R	79.5	Confident	83.7	Confident	125 Å²	125	54.6 Å²	54.6	47%	0.472	28%	0.284	S	S	.	.	S	Bend	trans	-142	121.3	-170.3	-71.4	172.2	177.2	80.8	-5.4	111.3	N56 V57	R22-N56 PolarHBondContact NE-O 3.35Å; R22-V57 VanDerWaalsContact CG-O 3.29Å; R22-V57 WeakPolarHBondContact CG-O 3.49Å
23	P	80.4	Confident	84.3	Confident	43 Å²	43	51.7 Å²	51.7	28%	0.279	26%	0.264	S	S	.	.	S	Bend	cis	-64.6	155.6	-19.4	32.4	-36.1	0	0	0	110.6	I45 I55	P23-I45 HydrophobicContact CB-CG2 3.64Å; P23-I45 HydrophobicContact CG-CG2 3.66Å; P23-I55 WeakPolarHBondContact CA-O 3.5Å; P23-I55 HydrophobicContact CB-CG2 4.44Å
24	C	84.6	Confident	84.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.			trans	-66.7	135	166.6	-76.9	0	0	0	0	110.1	L18 E21 L46 V62	L18-C24 HydrophobicContact CD1-CB 4.46Å; L18-C24 HydrophobicContact CD2-CB 4.48Å; E21-C24 PolarHBondContact O-SG 2.93Å; C24-L46 HydrophobicContact CB-CB 4.32Å; C24-L46 HydrophobicContact CB-CD2 4.4Å; C24-L46 WeakPolarHBondContact O-CB 3.2Å; C24-L46 PolarHBondContact O-N 3.27Å; C24-V62 HydrophobicContact CB-CG1 4.48Å
25	L	86.9	Confident	84.6	Confident	35 Å²	35	52.2 Å²	52.2	18%	0.183	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	155.8	170.7	-70	101	0	0	0	110.7	L18 K19 N20 D27 D44 I45	L18-L25 CarbonylContact C-O 3.49Å; L18-L25 VanDerWaalsContact CA-O 3.26Å; L18-L25 WeakPolarHBondContact CA-O 3.31Å; K19-L25 PolarHBondContact N-O 3.02Å; K19-L25 PolarHBondContact O-N 3.14Å; N20-L25 HydrophobicContact CB-CD1 4.08Å; N20-L25 VanDerWaalsContact ND2-CD1 3.32Å; N20-L25 WeakPolarHBondContact ND2-CD1 3.15Å; L25-D27 PolarHBondContact O-N 3.28Å; L25-D44 WeakPolarHBondContact CA-O 3.44Å; L25-I45 HydrophobicContact CD2-CG1 3.72Å; L25-I45 HydrophobicContact CG-CG1 3.99Å
26	I	86.1	Confident	84.7	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	108.6	172.5	-57.2	-175.2	0	0	0	108.5	F16 R17 L18 V29 V40 A42 G43 D44 I75 V77	F16-I26 HydrophobicContact CB-CG2 4.11Å; F16-I26 HydrophobicContact CD2-CD1 4.17Å; F16-I26 HydrophobicContact CD2-CG1 4.22Å; F16-I26 HydrophobicContact CD2-CG2 4.07Å; F16-I26 HydrophobicContact CE2-CD1 4.31Å; F16-I26 HydrophobicContact CE2-CG1 4.49Å; F16-I26 HydrophobicContact CG-CG2 4.47Å; R17-I26 CarbonylContact O-C 3.51Å; R17-I26 WeakPolarHBondContact O-CA 3.25Å; L18-I26 HydrophobicContact CD2-CG1 4.02Å; I26-V29 HydrophobicContact CG2-CG2 3.78Å; I26-V40 HydrophobicContact CD1-CG1 3.37Å; I26-V40 HydrophobicContact CG2-CG1 4.02Å; I26-A42 CarbonylContact O-C 3.56Å; I26-A42 WeakPolarHBondContact O-CA 3.46Å; I26-G43 PolarHBondContact O-N 3.01Å; I26-D44 HydrophobicContact CB-CB 4.24Å; I26-D44 HydrophobicContact CD1-CB 3.98Å; I26-D44 HydrophobicContact CG1-CB 4.22Å; I26-D44 PolarHBondContact N-O 3.43Å; I26-I75 HydrophobicContact CD1-CD1 3.98Å; I26-V77 HydrophobicContact CD1-CG1 4.11Å
27	D	84.5	Confident	84.7	Confident	67 Å²	67	61.9 Å²	61.9	36%	0.358	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-47	-174.1	-173.1	57.9	0	0	0	111.8	R17 K19 L25	R17-D27 HydrophobicContact CB-CB 4.33Å; R17-D27 WeakPolarHBondContact CD-OD2 3.25Å; R17-D27 HydrophobicContact CG-CB 4.18Å; R17-D27 PolarHBondContact O-N 3.45Å; K19-D27 HydrophobicContact CB-CB 3.62Å; K19-D27 VanDerWaalsContact CD-OD1 3.24Å; K19-D27 WeakPolarHBondContact CD-OD1 3.33Å; L25-D27 PolarHBondContact O-N 3.28Å
28	H	83.9	Confident	84.9	Confident	93 Å²	93	57.5 Å²	57.5	43%	0.431	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.6	-173.9	-170.6	-73.8	0	0	0	109.5	F16 R17	F16-H28 CarbonylContact C-O 3.35Å; F16-H28 VanDerWaalsContact CA-O 3.29Å; F16-H28 WeakPolarHBondContact CA-O 3.45Å; R17-H28 HydrophobicContact CB-CB 4.43Å; R17-H28 PolarHBondContact N-O 2.92Å
29	V	86.2	Confident	84.9	Confident	17 Å²	17	57 Å²	57	10%	0.103	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127	170.5	-174.3	0	0	0	0	107.2	F16 I26 A35 E36 V40	F16-V29 HydrophobicContact CB-CG2 4.29Å; I26-V29 HydrophobicContact CG2-CG2 3.78Å; V29-A35 HydrophobicContact CG1-CB 3.94Å; V29-E36 HydrophobicContact CG1-CB 3.81Å; V29-V40 HydrophobicContact CG2-CB 4.31Å; V29-V40 HydrophobicContact CG2-CG1 3.84Å
30	L	80.8	Confident	85.3	Confident	93 Å²	93	53 Å²	53	49%	0.487	28%	0.282	S	S	.	.			trans	-73.3	128.5	-179.4	-65.2	177.2	0	0	0	109.8	G15 G32 S33	G15-L30 WeakPolarHBondContact O-CB 3.46Å; G15-L30 PolarHBondContact O-N 3.18Å; L30-G32 PolarHBondContact O-N 3.39Å; L30-S33 WeakPolarHBondContact O-CB 3.35Å; L30-S33 PolarHBondContact O-N 2.87Å; L30-S33 VanDerWaalsContact O-N 3.11Å; L30-S33 PolarHBondContact O-OG 2.96Å
31	T	83.1	Confident	85.9	Confident	126 Å²	126	56.2 Å²	56.2	77%	0.773	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	134.4	176.4	-52.5	0	0	0	0	111.3	S33 E36	T31-S33 VanDerWaalsContact C-N 3.3Å; T31-S33 PolarHBondContact O-N 3.29Å; T31-E36 WeakPolarHBondContact CA-OE1 3.48Å; T31-E36 WeakPolarHBondContact CA-OE2 3.47Å
32	G	83.5	Confident	86.4	Confident	39 Å²	39	54.5 Å²	54.5	40%	0.402	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-4.1	-174.9	0	0	0	0	0	115.7	L30 E36 K37	L30-G32 PolarHBondContact O-N 3.39Å; G32-E36 PolarHBondContact N-OE2 3.42Å; G32-K37 VanDerWaalsContact O-CE 3.25Å; G32-K37 WeakPolarHBondContact O-CE 3.48Å; G32-K37 PolarHBondContact O-NZ 3.34Å
33	S	89.6	Confident	86.5	Confident	14 Å²	14	50.2 Å²	50.2	10%	0.098	29%	0.289	C	S	.	.	S	Bend	trans	-71.8	165.7	-178.2	66.4	0	0	0	0	114.5	G15 L30 T31 A35 E36 K37	G15-S33 PolarHBondContact O-OG 3.47Å; L30-S33 WeakPolarHBondContact O-CB 3.35Å; L30-S33 PolarHBondContact O-N 2.87Å; L30-S33 VanDerWaalsContact O-N 3.11Å; L30-S33 PolarHBondContact O-OG 2.96Å; T31-S33 VanDerWaalsContact C-N 3.3Å; T31-S33 PolarHBondContact O-N 3.29Å; S33-A35 VanDerWaalsContact C-N 3.28Å; S33-A35 PolarHBondContact O-N 3.27Å; S33-A35 PolarHBondContact OG-N 3.38Å; S33-E36 PolarHBondContact O-N 3.24Å; S33-E36 PolarHBondContact OG-N 3.16Å; S33-K37 WeakPolarHBondContact O-CB 3.25Å; S33-K37 WeakPolarHBondContact O-CD 3.45Å; S33-K37 WeakPolarHBondContact O-CG 3.34Å; S33-K37 PolarHBondContact O-N 2.85Å; S33-K37 VanDerWaalsContact O-N 3.17Å
34	S	91.1	Very high	86.9	Confident	20 Å²	20	48.3 Å²	48.3	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-43.8	167.8	-63.3	0	0	0	0	111.9	P8 E36 K37 S38	P8-S34 WeakPolarHBondContact O-CB 3.41Å; P8-S34 PolarHBondContact O-OG 3.29Å; S34-E36 PolarHBondContact O-N 3.44Å; S34-K37 PolarHBondContact O-N 2.84Å; S34-S38 WeakPolarHBondContact O-CB 3.46Å; S34-S38 PolarHBondContact O-N 3.35Å; S34-S38 PolarHBondContact O-OG 2.67Å
35	A	91.7	Very high	87.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-44.8	-179.8	0	0	0	0	0	112.6	I7 Y14 F16 V29 S33 K37 G39 V40	I7-A35 HydrophobicContact CD1-CB 4.24Å; I7-A35 HydrophobicContact CG2-CB 4.34Å; Y14-A35 WeakPolarHBondContact O-CB 3.38Å; Y14-A35 PolarHBondContact O-N 3.28Å; F16-A35 HydrophobicContact CB-CB 4.07Å; F16-A35 HydrophobicContact CD1-CB 3.77Å; F16-A35 HydrophobicContact CG-CB 4.34Å; V29-A35 HydrophobicContact CG1-CB 3.94Å; S33-A35 VanDerWaalsContact C-N 3.28Å; S33-A35 PolarHBondContact O-N 3.27Å; S33-A35 PolarHBondContact OG-N 3.38Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 2.96Å; A35-G39 PolarHBondContact O-N 3.41Å; A35-G39 VanDerWaalsContact O-N 3.13Å; A35-V40 HydrophobicContact CB-CB 3.99Å; A35-V40 HydrophobicContact CB-CG2 3.9Å; A35-V40 VanDerWaalsContact O-CB 3.24Å; A35-V40 WeakPolarHBondContact O-CB 3.37Å; A35-V40 VanDerWaalsContact O-CG2 3.29Å; A35-V40 WeakPolarHBondContact O-CG2 3.33Å; A35-V40 PolarHBondContact O-N 3.37Å
36	E	89.9	Confident	87.3	Confident	64 Å²	64	47.7 Å²	47.7	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-43.7	177.5	-169.6	179.4	-112.8	0	0	111.8	V29 T31 G32 S33 S34 G39 R41	V29-E36 HydrophobicContact CG1-CB 3.81Å; T31-E36 WeakPolarHBondContact CA-OE1 3.48Å; T31-E36 WeakPolarHBondContact CA-OE2 3.47Å; G32-E36 PolarHBondContact N-OE2 3.42Å; S33-E36 PolarHBondContact O-N 3.24Å; S33-E36 PolarHBondContact OG-N 3.16Å; S34-E36 PolarHBondContact O-N 3.44Å; E36-G39 WeakPolarHBondContact O-CA 3.4Å; E36-G39 PolarHBondContact O-N 3.07Å; E36-R41 PolarHBondContact O-NH1 3.24Å
37	K	89.5	Confident	87.6	Confident	163 Å²	163	48 Å²	48	71%	0.709	27%	0.274	S	S	*	.	H	α-helix	trans	-66.8	-42.4	179.9	-72.7	166.1	175.4	158.6	0	113	G32 S33 S34 A35 G39	G32-K37 VanDerWaalsContact O-CE 3.25Å; G32-K37 WeakPolarHBondContact O-CE 3.48Å; G32-K37 PolarHBondContact O-NZ 3.34Å; S33-K37 WeakPolarHBondContact O-CB 3.25Å; S33-K37 WeakPolarHBondContact O-CD 3.45Å; S33-K37 WeakPolarHBondContact O-CG 3.34Å; S33-K37 PolarHBondContact O-N 2.85Å; S33-K37 VanDerWaalsContact O-N 3.17Å; S34-K37 PolarHBondContact O-N 2.84Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 2.96Å; K37-G39 PolarHBondContact O-N 3.38Å
38	S	91.5	Very high	88	Confident	40 Å²	40	48.2 Å²	48.2	28%	0.28	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-6.9	169.8	-67.3	0	0	0	0	113.1	V5 E6 P8 S34	V5-S38 VanDerWaalsContact CG1-O 3.25Å; V5-S38 WeakPolarHBondContact CG1-O 3.35Å; E6-S38 WeakPolarHBondContact O-CB 3.24Å; E6-S38 PolarHBondContact O-OG 3.25Å; P8-S38 WeakPolarHBondContact CD-OG 3.49Å; S34-S38 WeakPolarHBondContact O-CB 3.46Å; S34-S38 PolarHBondContact O-N 3.35Å; S34-S38 PolarHBondContact O-OG 2.67Å
39	G	88.7	Confident	88.5	Confident	12 Å²	12	43.8 Å²	43.8	12%	0.124	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	98	8.8	170.9	0	0	0	0	0	115.3	R3 A35 E36 K37 R41	R3-G39 VanDerWaalsContact CZ-O 3.25Å; R3-G39 PolarHBondContact NH1-O 3.1Å; R3-G39 PolarHBondContact NH2-O 3.34Å; A35-G39 PolarHBondContact O-N 3.41Å; A35-G39 VanDerWaalsContact O-N 3.13Å; E36-G39 WeakPolarHBondContact O-CA 3.4Å; E36-G39 PolarHBondContact O-N 3.07Å; K37-G39 PolarHBondContact O-N 3.38Å; G39-R41 VanDerWaalsContact C-NH1 3.27Å; G39-R41 PolarHBondContact O-NH1 2.89Å
40	V	90.3	Very high	88.7	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.264	C	S	.	.			trans	-61.6	142.6	175.1	-174.1	0	0	0	0	110.6	V5 I7 I26 V29 A35 I75	V5-V40 HydrophobicContact CG1-CG2 3.82Å; I7-V40 HydrophobicContact CD1-CG2 3.56Å; I7-V40 HydrophobicContact CG1-CG2 4.14Å; I26-V40 HydrophobicContact CD1-CG1 3.37Å; I26-V40 HydrophobicContact CG2-CG1 4.02Å; V29-V40 HydrophobicContact CG2-CB 4.31Å; V29-V40 HydrophobicContact CG2-CG1 3.84Å; A35-V40 HydrophobicContact CB-CB 3.99Å; A35-V40 HydrophobicContact CB-CG2 3.9Å; A35-V40 VanDerWaalsContact O-CB 3.24Å; A35-V40 WeakPolarHBondContact O-CB 3.37Å; A35-V40 VanDerWaalsContact O-CG2 3.29Å; A35-V40 WeakPolarHBondContact O-CG2 3.33Å; A35-V40 PolarHBondContact O-N 3.37Å; V40-I75 HydrophobicContact CG2-CD1 4.09Å
41	R	88	Confident	89	Confident	126 Å²	126	44.8 Å²	44.8	48%	0.475	27%	0.271	S	S	.	.			trans	-129.2	152.6	179.5	-56.6	-62	171	-116.2	7.9	111.2	E36 G39 D44	E36-R41 PolarHBondContact O-NH1 3.24Å; G39-R41 VanDerWaalsContact C-NH1 3.27Å; G39-R41 PolarHBondContact O-NH1 2.89Å; R41-D44 PolarHBondContact N-OD2 3.05Å; R41-D44 WeakPolarHBondContact O-CB 3.38Å; R41-D44 PolarHBondContact O-N 2.73Å
42	A	85.2	Confident	89.3	Confident	65 Å²	65	42 Å²	42	54%	0.537	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	141.7	169.1	0	0	0	0	0	109.7	I26 D44	I26-A42 CarbonylContact O-C 3.56Å; I26-A42 WeakPolarHBondContact O-CA 3.46Å; A42-D44 VanDerWaalsContact C-N 3.34Å
43	G	80.5	Confident	89.7	Confident	36 Å²	36	44.5 Å²	44.5	37%	0.371	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-1.1	-172.5	0	0	0	0	0	115.2	I26 I45	I26-G43 PolarHBondContact O-N 3.01Å; G43-I45 PolarHBondContact O-N 3.42Å
44	D	89	Confident	89.7	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.011	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	127.5	166.4	-81	-26.3	0	0	0	110.2	R3 L25 I26 R41 A42 V77 S79	R3-D44 IonicContact CZ-OD2 3.44Å; R3-D44 IonicContact NE-OD1 2.71Å; R3-D44 IonicContact NH2-OD1 3.81Å; R3-D44 PolarHBondContact NH2-OD1 3.15Å; R3-D44 IonicContact NH2-OD2 3.95Å; R3-D44 PolarHBondContact NH2-OD2 3.45Å; L25-D44 WeakPolarHBondContact CA-O 3.44Å; I26-D44 HydrophobicContact CB-CB 4.24Å; I26-D44 HydrophobicContact CD1-CB 3.98Å; I26-D44 HydrophobicContact CG1-CB 4.22Å; I26-D44 PolarHBondContact N-O 3.43Å; R41-D44 PolarHBondContact N-OD2 3.05Å; R41-D44 WeakPolarHBondContact O-CB 3.38Å; R41-D44 PolarHBondContact O-N 2.73Å; A42-D44 VanDerWaalsContact C-N 3.34Å; D44-V77 HydrophobicContact CB-CB 4Å; D44-V77 HydrophobicContact CB-CG1 4.19Å; D44-V77 HydrophobicContact CB-CG2 4.34Å; D44-S79 VanDerWaalsContact OD1-CA 3.23Å; D44-S79 WeakPolarHBondContact OD1-CA 3.39Å; D44-S79 WeakPolarHBondContact OD1-CB 3.42Å; D44-S79 PolarHBondContact OD1-OG 3.4Å
45	I	90.2	Very high	89.5	Confident	23 Å²	23	45.6 Å²	45.6	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.5	169.7	-58.5	166.1	0	0	0	108.7	P23 L25 G43 L47 V77 E78 Q80	P23-I45 HydrophobicContact CB-CG2 3.64Å; P23-I45 HydrophobicContact CG-CG2 3.66Å; L25-I45 HydrophobicContact CD2-CG1 3.72Å; L25-I45 HydrophobicContact CG-CG1 3.99Å; G43-I45 PolarHBondContact O-N 3.42Å; I45-L47 HydrophobicContact CG2-CD2 4.33Å; I45-L47 PolarHBondContact O-N 3.34Å; I45-V77 CarbonylContact O-C 3.56Å; I45-V77 WeakPolarHBondContact O-CA 3.4Å; I45-E78 HydrophobicContact CB-CB 4.35Å; I45-E78 WeakPolarHBondContact CB-O 3.18Å; I45-E78 PolarHBondContact N-O 2.98Å; I45-E78 PolarHBondContact O-N 2.99Å; I45-Q80 HydrophobicContact CD1-CG 3.74Å; I45-Q80 HydrophobicContact CG1-CG 4.16Å
46	L	90.5	Very high	89.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.5	179	-164	67.6	0	0	0	110.6	L18 C24 V49 V54 V62 I75 V77	L18-L46 HydrophobicContact CD1-CD2 4.34Å; L18-L46 HydrophobicContact CD2-CD2 4.14Å; C24-L46 HydrophobicContact CB-CB 4.32Å; C24-L46 HydrophobicContact CB-CD2 4.4Å; C24-L46 WeakPolarHBondContact O-CB 3.2Å; C24-L46 PolarHBondContact O-N 3.27Å; L46-V49 HydrophobicContact CD1-CG2 4.24Å; L46-V49 HydrophobicContact CD2-CG2 3.64Å; L46-V49 HydrophobicContact CG-CG2 4.06Å; L46-V54 HydrophobicContact CB-CG2 4.28Å; L46-V54 HydrophobicContact CD2-CG2 3.94Å; L46-V54 HydrophobicContact CG-CG2 3.73Å; L46-V62 HydrophobicContact CD2-CG1 3.5Å; L46-I75 HydrophobicContact CD1-CB 3.73Å; L46-I75 HydrophobicContact CD1-CD1 4.16Å; L46-I75 HydrophobicContact CD1-CG1 4.48Å; L46-I75 HydrophobicContact CD1-CG2 3.86Å; L46-V77 HydrophobicContact CD1-CG1 3.9Å
47	L	91.6	Very high	88.8	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-45.2	178.5	-57.8	-171.7	0	0	0	112.3	R2 I45 N53 V54 I55 E76 E78	R2-L47 HydrophobicContact CG-CD1 4.13Å; I45-L47 HydrophobicContact CG2-CD2 4.33Å; I45-L47 PolarHBondContact O-N 3.34Å; L47-N53 PolarHBondContact O-OD1 3.19Å; L47-V54 PolarHBondContact O-N 3.03Å; L47-I55 HydrophobicContact CB-CD1 4.47Å; L47-I55 HydrophobicContact CB-CG1 4.41Å; L47-I55 HydrophobicContact CD2-CD1 3.89Å; L47-I55 HydrophobicContact CD2-CG1 3.92Å; L47-E76 WeakPolarHBondContact CA-O 3.39Å; L47-E76 HydrophobicContact CB-CB 4.36Å; L47-E76 HydrophobicContact CB-CG 4.28Å; L47-E76 WeakPolarHBondContact CB-O 3.49Å; L47-E76 HydrophobicContact CD1-CG 4.34Å; L47-E76 PolarHBondContact N-O 2.91Å; L47-E78 HydrophobicContact CD1-CB 3.9Å; L47-E78 HydrophobicContact CD2-CB 3.98Å; L47-E78 HydrophobicContact CG-CB 3.94Å
48	K	93.5	Very high	88.6	Confident	72 Å²	72	44 Å²	44	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.3	177.9	-51.8	-162.1	-176.6	97.3	0	112.6	V52 I75 E76	K48-V52 CarbonylContact C-O 3.53Å; K48-V52 WeakPolarHBondContact CA-O 3.45Å; K48-V52 WeakPolarHBondContact CB-O 3.38Å; K48-I75 WeakPolarHBondContact O-CA 3.26Å; K48-E76 HydrophobicContact CB-CB 3.8Å; K48-E76 WeakPolarHBondContact CD-OE2 3.47Å; K48-E76 HydrophobicContact CG-CB 4.04Å; K48-E76 PolarHBondContact N-O 3Å; K48-E76 VanDerWaalsContact N-O 3.13Å; K48-E76 IonicContact NZ-OE1 3.25Å; K48-E76 IonicContact NZ-OE2 3.38Å; K48-E76 PolarHBondContact NZ-OE2 3.19Å; K48-E76 PolarHBondContact O-N 3.42Å
49	V	93.2	Very high	88.2	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.5	168.1	178	0	0	0	0	108.5	L46 G51 V52 V54 V62 L65 I66 L73 I75	L46-V49 HydrophobicContact CD1-CG2 4.24Å; L46-V49 HydrophobicContact CD2-CG2 3.64Å; L46-V49 HydrophobicContact CG-CG2 4.06Å; V49-G51 PolarHBondContact O-N 3.49Å; V49-G51 VanDerWaalsContact O-N 3.13Å; V49-V52 PolarHBondContact N-O 3.02Å; V49-V52 WeakPolarHBondContact O-CB 3.34Å; V49-V52 PolarHBondContact O-N 3.31Å; V49-V54 HydrophobicContact CB-CG1 4.19Å; V49-V54 HydrophobicContact CG2-CG1 4.02Å; V49-V54 HydrophobicContact CG2-CG2 4.13Å; V49-V62 HydrophobicContact CG2-CG1 4.39Å; V49-L65 HydrophobicContact CB-CB 4.39Å; V49-L65 HydrophobicContact CG1-CB 3.99Å; V49-I66 HydrophobicContact CG1-CG1 3.89Å; V49-I66 HydrophobicContact CG2-CD1 4.49Å; V49-I66 HydrophobicContact CG2-CG1 4.17Å; V49-L73 HydrophobicContact CG1-CD1 3.91Å; V49-I75 HydrophobicContact CG2-CG2 4.34Å
50	N	90.9	Very high	88	Confident	68 Å²	68	50.3 Å²	50.3	36%	0.364	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	41.8	-178.2	-63.4	-19.3	0	0	0	113	V52 F74	N50-V52 VanDerWaalsContact C-N 3.3Å; N50-V52 PolarHBondContact O-N 2.94Å; N50-F74 PolarHBondContact N-O 2.66Å; N50-F74 PolarHBondContact OD1-N 3.12Å; N50-F74 PolarHBondContact OD1-O 3.08Å
51	G	88	Confident	87.9	Confident	62 Å²	62	55 Å²	55	64%	0.639	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-17.8	-177.7	0	0	0	0	0	115.8	V49	V49-G51 PolarHBondContact O-N 3.49Å; V49-G51 VanDerWaalsContact O-N 3.13Å
52	V	89.8	Confident	88	Confident	68 Å²	68	49 Å²	49	41%	0.412	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.2	176.7	-174.8	0	0	0	0	110	K48 V49 N50 L65	K48-V52 CarbonylContact C-O 3.53Å; K48-V52 WeakPolarHBondContact CA-O 3.45Å; K48-V52 WeakPolarHBondContact CB-O 3.38Å; V49-V52 PolarHBondContact N-O 3.02Å; V49-V52 WeakPolarHBondContact O-CB 3.34Å; V49-V52 PolarHBondContact O-N 3.31Å; N50-V52 VanDerWaalsContact C-N 3.3Å; N50-V52 PolarHBondContact O-N 2.94Å; V52-L65 HydrophobicContact CB-CD1 4.24Å; V52-L65 HydrophobicContact CG1-CD1 3.97Å; V52-L65 HydrophobicContact CG2-CD2 4.24Å
53	N	90.6	Very high	88.2	Confident	92 Å²	92	47.6 Å²	47.6	49%	0.492	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.2	174.5	-178.9	-11.9	0	0	0	110.5	L47 I55 V57	L47-N53 PolarHBondContact O-OD1 3.19Å; N53-I55 VanDerWaalsContact OD1-CG1 3.31Å; N53-I55 WeakPolarHBondContact OD1-CG1 3.39Å; N53-I55 PolarHBondContact OD1-N 3.19Å; N53-I55 VanDerWaalsContact OD1-N 3.09Å; N53-V57 WeakPolarHBondContact O-CG2 3.34Å
54	V	90.7	Very high	88.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.276	C	S	.	.			trans	-116.4	4.3	-174.5	-65.4	0	0	0	0	115	L46 L47 V49 N56 V57 V62 L65	L46-V54 HydrophobicContact CB-CG2 4.28Å; L46-V54 HydrophobicContact CD2-CG2 3.94Å; L46-V54 HydrophobicContact CG-CG2 3.73Å; L47-V54 PolarHBondContact O-N 3.03Å; V49-V54 HydrophobicContact CB-CG1 4.19Å; V49-V54 HydrophobicContact CG2-CG1 4.02Å; V49-V54 HydrophobicContact CG2-CG2 4.13Å; V54-N56 PolarHBondContact O-N 3.01Å; V54-N56 VanDerWaalsContact O-N 3.12Å; V54-V57 HydrophobicContact CB-CB 4.27Å; V54-V57 HydrophobicContact CB-CG2 4.46Å; V54-V57 PolarHBondContact O-N 3.01Å; V54-V57 VanDerWaalsContact O-N 3.17Å; V54-V62 HydrophobicContact CB-CG2 3.67Å; V54-V62 HydrophobicContact CG1-CG2 3.87Å; V54-V62 HydrophobicContact CG2-CG2 4.46Å; V54-L65 HydrophobicContact CG1-CD1 3.78Å
55	I	86.3	Confident	88.5	Confident	56 Å²	56	50.9 Å²	50.9	29%	0.287	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.5	-175	-61.7	167.3	0	0	0	112.4	P23 L47 N53	P23-I55 WeakPolarHBondContact CA-O 3.5Å; P23-I55 HydrophobicContact CB-CG2 4.44Å; L47-I55 HydrophobicContact CB-CD1 4.47Å; L47-I55 HydrophobicContact CB-CG1 4.41Å; L47-I55 HydrophobicContact CD2-CD1 3.89Å; L47-I55 HydrophobicContact CD2-CG1 3.92Å; N53-I55 VanDerWaalsContact OD1-CG1 3.31Å; N53-I55 WeakPolarHBondContact OD1-CG1 3.39Å; N53-I55 PolarHBondContact OD1-N 3.19Å; N53-I55 VanDerWaalsContact OD1-N 3.09Å
56	N	83.7	Confident	88.6	Confident	129 Å²	129	50 Å²	50	69%	0.69	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	14.4	-177.7	-67.4	-20.5	0	0	0	113.6	R22 V54	R22-N56 PolarHBondContact NE-O 3.35Å; V54-N56 PolarHBondContact O-N 3.01Å; V54-N56 VanDerWaalsContact O-N 3.12Å
57	V	83.5	Confident	88.4	Confident	30 Å²	30	57.1 Å²	57.1	18%	0.182	31%	0.31	C	S	.	.	S	Bend	trans	-90.4	152.6	-177.4	174.4	0	0	0	0	109.7	R22 N53 V54 E61 V62	R22-V57 VanDerWaalsContact CG-O 3.29Å; R22-V57 WeakPolarHBondContact CG-O 3.49Å; N53-V57 WeakPolarHBondContact O-CG2 3.34Å; V54-V57 HydrophobicContact CB-CB 4.27Å; V54-V57 HydrophobicContact CB-CG2 4.46Å; V54-V57 PolarHBondContact O-N 3.01Å; V54-V57 VanDerWaalsContact O-N 3.17Å; V57-E61 HydrophobicContact CG1-CB 3.26Å; V57-E61 HydrophobicContact CG1-CG 4.22Å; V57-V62 HydrophobicContact CB-CG2 4Å; V57-V62 HydrophobicContact CG1-CG2 3.73Å
58	T	84.2	Confident	88	Confident	35 Å²	35	66.1 Å²	66.1	22%	0.215	34%	0.343	C	S	.	.			trans	-66.3	156.6	176	58.3	0	0	0	0	111.6	E60 E61 V62	T58-E60 PolarHBondContact O-N 3.1Å; T58-E61 VanDerWaalsContact CB-OE2 3.27Å; T58-E61 WeakPolarHBondContact CB-OE2 3.2Å; T58-E61 VanDerWaalsContact CG2-OE2 3.32Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.42Å; T58-E61 PolarHBondContact N-OE2 3.49Å; T58-E61 PolarHBondContact O-N 3.43Å; T58-E61 VanDerWaalsContact OG1-CB 3.3Å; T58-E61 WeakPolarHBondContact OG1-CB 3.31Å; T58-E61 VanDerWaalsContact OG1-CD 3.26Å; T58-E61 WeakPolarHBondContact OG1-CG 3.42Å; T58-E61 PolarHBondContact OG1-N 3.3Å; T58-E61 PolarHBondContact OG1-OE2 3.04Å; T58-V62 WeakPolarHBondContact O-CG2 3.41Å; T58-V62 PolarHBondContact O-N 3.48Å
59	H	83.3	Confident	87.5	Confident	54 Å²	54	63.2 Å²	63.2	25%	0.25	33%	0.332	C	S	.	.	H	α-helix	trans	-54.6	-36.5	171.5	-166.9	100.5	0	0	0	112.8	L18 N20 E21 A63	L18-H59 VanDerWaalsContact CB-CE1 3.48Å; L18-H59 WeakPolarHBondContact CB-CE1 3.3Å; L18-H59 PolarHBondContact O-CE1 3.06Å; N20-H59 PolarHBondContact O-ND1 2.93Å; E21-H59 WeakPolarHBondContact OE1-CB 3.16Å; E21-H59 PolarHBondContact OE2-N 3.37Å; H59-A63 VanDerWaalsContact O-CB 3.31Å; H59-A63 WeakPolarHBondContact O-CB 3.49Å; H59-A63 PolarHBondContact O-N 3.06Å
60	E	86.2	Confident	86.8	Confident	131 Å²	131	69.9 Å²	69.9	61%	0.612	36%	0.363	S	S	*	.	H	α-helix	trans	-71.5	-42.9	-179.2	-177	165.1	-148.7	0	0	113.2	T58 A63 S64	T58-E60 PolarHBondContact O-N 3.1Å; E60-A63 PolarHBondContact O-N 2.81Å; E60-S64 WeakPolarHBondContact O-CB 3.3Å; E60-S64 PolarHBondContact O-N 3.3Å; E60-S64 PolarHBondContact O-OG 3.29Å
61	E	86.9	Confident	86.3	Confident	99 Å²	99	74.2 Å²	74.2	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-65.2	-40	172.8	-72.4	161.9	125.3	0	0	111.3	V57 T58 S64 L65	V57-E61 HydrophobicContact CG1-CB 3.26Å; V57-E61 HydrophobicContact CG1-CG 4.22Å; T58-E61 VanDerWaalsContact CB-OE2 3.27Å; T58-E61 WeakPolarHBondContact CB-OE2 3.2Å; T58-E61 VanDerWaalsContact CG2-OE2 3.32Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.42Å; T58-E61 PolarHBondContact N-OE2 3.49Å; T58-E61 PolarHBondContact O-N 3.43Å; T58-E61 VanDerWaalsContact OG1-CB 3.3Å; T58-E61 WeakPolarHBondContact OG1-CB 3.31Å; T58-E61 VanDerWaalsContact OG1-CD 3.26Å; T58-E61 WeakPolarHBondContact OG1-CG 3.42Å; T58-E61 PolarHBondContact OG1-N 3.3Å; T58-E61 PolarHBondContact OG1-OE2 3.04Å; E61-S64 WeakPolarHBondContact O-CB 3.39Å; E61-S64 PolarHBondContact O-N 2.7Å; E61-L65 WeakPolarHBondContact O-CG 3.4Å; E61-L65 PolarHBondContact O-N 3.37Å
62	V	90.4	Very high	86.3	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64	-46.7	174.8	176.5	0	0	0	0	111.3	L18 C24 L46 V49 V54 V57 T58 S64 L65 I66	L18-V62 HydrophobicContact CD1-CB 4.44Å; L18-V62 HydrophobicContact CD1-CG1 3.52Å; C24-V62 HydrophobicContact CB-CG1 4.48Å; L46-V62 HydrophobicContact CD2-CG1 3.5Å; V49-V62 HydrophobicContact CG2-CG1 4.39Å; V54-V62 HydrophobicContact CB-CG2 3.67Å; V54-V62 HydrophobicContact CG1-CG2 3.87Å; V54-V62 HydrophobicContact CG2-CG2 4.46Å; V57-V62 HydrophobicContact CB-CG2 4Å; V57-V62 HydrophobicContact CG1-CG2 3.73Å; T58-V62 WeakPolarHBondContact O-CG2 3.41Å; T58-V62 PolarHBondContact O-N 3.48Å; V62-S64 VanDerWaalsContact C-N 3.25Å; V62-S64 PolarHBondContact O-N 3.05Å; V62-L65 PolarHBondContact O-N 3.02Å; V62-I66 HydrophobicContact CG1-CD1 4.07Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.46Å
63	A	88.8	Confident	86.5	Confident	36 Å²	36	72.8 Å²	72.8	30%	0.298	35%	0.351	S	S	.	.	H	α-helix	trans	-58.9	-39.6	174.6	0	0	0	0	0	111.3	H59 E60 I66 W67	H59-A63 VanDerWaalsContact O-CB 3.31Å; H59-A63 WeakPolarHBondContact O-CB 3.49Å; H59-A63 PolarHBondContact O-N 3.06Å; E60-A63 PolarHBondContact O-N 2.81Å; A63-I66 PolarHBondContact O-N 2.99Å; A63-W67 VanDerWaalsContact O-CB 3.27Å; A63-W67 WeakPolarHBondContact O-CB 3.33Å; A63-W67 PolarHBondContact O-N 3.42Å
64	S	87.7	Confident	86.6	Confident	58 Å²	58	72.6 Å²	72.6	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176.4	-61.3	0	0	0	0	113	E60 E61 V62 I66 W67 R68	E60-S64 WeakPolarHBondContact O-CB 3.3Å; E60-S64 PolarHBondContact O-N 3.3Å; E60-S64 PolarHBondContact O-OG 3.29Å; E61-S64 WeakPolarHBondContact O-CB 3.39Å; E61-S64 PolarHBondContact O-N 2.7Å; V62-S64 VanDerWaalsContact C-N 3.25Å; V62-S64 PolarHBondContact O-N 3.05Å; S64-I66 VanDerWaalsContact C-N 3.34Å; S64-W67 PolarHBondContact O-N 3.43Å; S64-R68 WeakPolarHBondContact O-CB 3.45Å; S64-R68 WeakPolarHBondContact O-CD 3.3Å; S64-R68 WeakPolarHBondContact O-CG 3.45Å; S64-R68 PolarHBondContact O-N 3.14Å; S64-R68 VanDerWaalsContact O-N 3.09Å
65	L	89.6	Confident	86.8	Confident	48 Å²	48	72.6 Å²	72.6	25%	0.251	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-39.4	174.7	-74.1	168	0	0	0	112.1	V49 V52 V54 E61 V62	V49-L65 HydrophobicContact CB-CB 4.39Å; V49-L65 HydrophobicContact CG1-CB 3.99Å; V52-L65 HydrophobicContact CB-CD1 4.24Å; V52-L65 HydrophobicContact CG1-CD1 3.97Å; V52-L65 HydrophobicContact CG2-CD2 4.24Å; V54-L65 HydrophobicContact CG1-CD1 3.78Å; E61-L65 WeakPolarHBondContact O-CG 3.4Å; E61-L65 PolarHBondContact O-N 3.37Å; V62-L65 PolarHBondContact O-N 3.02Å
66	I	90.6	Very high	87.1	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-69.8	-43.7	175.6	-66.4	169.7	0	0	0	111	Y14 F16 L18 V49 V62 A63 S64 R68 C69 L73	Y14-I66 HydrophobicContact CD2-CG2 3.99Å; Y14-I66 HydrophobicContact CE2-CG2 4.11Å; F16-I66 HydrophobicContact CE2-CD1 4.27Å; F16-I66 HydrophobicContact CZ-CD1 4.08Å; L18-I66 HydrophobicContact CD1-CD1 3.8Å; V49-I66 HydrophobicContact CG1-CG1 3.89Å; V49-I66 HydrophobicContact CG2-CD1 4.49Å; V49-I66 HydrophobicContact CG2-CG1 4.17Å; V62-I66 HydrophobicContact CG1-CD1 4.07Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.46Å; A63-I66 PolarHBondContact O-N 2.99Å; S64-I66 VanDerWaalsContact C-N 3.34Å; I66-R68 PolarHBondContact O-N 3.4Å; I66-C69 VanDerWaalsContact O-CB 3.27Å; I66-C69 WeakPolarHBondContact O-CB 3.19Å; I66-C69 PolarHBondContact O-N 2.87Å; I66-C69 VanDerWaalsContact O-N 3.13Å; I66-L73 HydrophobicContact CB-CD1 4.34Å; I66-L73 HydrophobicContact CG1-CD1 4.2Å; I66-L73 HydrophobicContact CG1-CD2 4.23Å; I66-L73 HydrophobicContact CG2-CD1 4.25Å; I66-L73 HydrophobicContact CG2-CD2 3.87Å
67	W	86.3	Confident	87.5	Confident	150 Å²	150	65.7 Å²	65.7	57%	0.568	31%	0.309	S	S	*	.	H	α-helix	trans	-64.9	-37.3	-176.4	-172.5	-98.5	0	0	0	113	A63 S64 C69 I678	A63-W67 VanDerWaalsContact O-CB 3.27Å; A63-W67 WeakPolarHBondContact O-CB 3.33Å; A63-W67 PolarHBondContact O-N 3.42Å; S64-W67 PolarHBondContact O-N 3.43Å; W67-C69 PolarHBondContact O-N 2.93Å; W67-I678 HydrophobicContact CZ3-CG2 4.41Å
68	R	84.3	Confident	87.8	Confident	195 Å²	195	67 Å²	67	74%	0.736	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-2.1	175	-69.7	168.1	66.8	94.9	2.8	114.2	S64 I66 H70	S64-R68 WeakPolarHBondContact O-CB 3.45Å; S64-R68 WeakPolarHBondContact O-CD 3.3Å; S64-R68 WeakPolarHBondContact O-CG 3.45Å; S64-R68 PolarHBondContact O-N 3.14Å; S64-R68 VanDerWaalsContact O-N 3.09Å; I66-R68 PolarHBondContact O-N 3.4Å; R68-H70 PolarHBondContact O-CD2 3.32Å; R68-H70 VanDerWaalsContact O-CD2 3.26Å
69	C	82.4	Confident	87.6	Confident	11 Å²	11	66.5 Å²	66.5	7%	0.074	31%	0.311	C	S	.	.			trans	-91.2	121.6	175.3	-166.5	0	0	0	0	110.4	R9 Y14 I66 W67 K72 L73	R9-C69 PolarHBondContact NH1-O 2.98Å; Y14-C69 WeakPolarHBondContact OH-CB 3.47Å; Y14-C69 PolarHBondContact OH-O 3.38Å; Y14-C69 PolarHBondContact OH-SG 2.89Å; I66-C69 VanDerWaalsContact O-CB 3.27Å; I66-C69 WeakPolarHBondContact O-CB 3.19Å; I66-C69 PolarHBondContact O-N 2.87Å; I66-C69 VanDerWaalsContact O-N 3.13Å; W67-C69 PolarHBondContact O-N 2.93Å; C69-K72 PolarHBondContact SG-O 3.39Å; C69-L73 HydrophobicContact CB-CD1 3.73Å
70	H	77.8	Confident	86.5	Confident	141 Å²	141	70.5 Å²	70.5	65%	0.653	33%	0.329	S	S	*	.	S	Bend	trans	-104.5	-20.7	-172.6	-66.9	-76.9	0	0	0	114.6	R9 R68	R9-H70 VanDerWaalsContact CD-O 3.28Å; R9-H70 WeakPolarHBondContact CD-O 3.48Å; R68-H70 PolarHBondContact O-CD2 3.32Å; R68-H70 VanDerWaalsContact O-CD2 3.26Å
71	E	82.3	Confident	84.5	Confident	158 Å²	158	71.2 Å²	71.2	74%	0.738	33%	0.333	S	S	*	.	S	Bend	trans	-119.3	-67.9	-177.1	-62	-176.5	161.2	0	0	112.8	R9	R9-E71 VanDerWaalsContact CB-O 3.31Å; R9-E71 WeakPolarHBondContact CB-O 3.44Å; R9-E71 PolarHBondContact N-O 3.05Å
72	K	87.8	Confident	82	Confident	101 Å²	101	69.5 Å²	69.5	44%	0.439	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	115	-170.8	-69.1	176	165.4	-148	0	110.6	E6 C69 F74	E6-K72 HydrophobicContact CG-CB 4.38Å; E6-K72 VanDerWaalsContact OE1-CD 3.24Å; E6-K72 WeakPolarHBondContact OE1-CD 3.34Å; E6-K72 WeakPolarHBondContact OE1-CE 3.22Å; E6-K72 IonicContact OE1-NZ 2.57Å; E6-K72 PolarHBondContact OE1-NZ 2.98Å; C69-K72 PolarHBondContact SG-O 3.39Å; K72-F74 HydrophobicContact CB-CE2 3.84Å; K72-F74 HydrophobicContact CB-CZ 4.29Å; K72-F74 HydrophobicContact CD-CZ 4.48Å; K72-F74 WeakPolarHBondContact O-CD2 3.49Å
73	L	93.4	Very high	79.2	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119	178.3	-173.4	75.4	0	0	0	110	I7 Y14 F16 V49 I66 C69 I75	I7-L73 HydrophobicContact CB-CB 4.4Å; I7-L73 HydrophobicContact CD1-CD2 4.36Å; I7-L73 PolarHBondContact N-O 2.71Å; I7-L73 PolarHBondContact O-N 2.96Å; Y14-L73 HydrophobicContact CD1-CB 4.01Å; Y14-L73 HydrophobicContact CD1-CD2 4.43Å; Y14-L73 HydrophobicContact CD2-CD2 3.98Å; Y14-L73 HydrophobicContact CE1-CB 3.55Å; Y14-L73 HydrophobicContact CE2-CB 4.16Å; Y14-L73 HydrophobicContact CE2-CD2 4.16Å; Y14-L73 HydrophobicContact CG-CB 4.5Å; Y14-L73 HydrophobicContact CG-CD2 4.13Å; F16-L73 HydrophobicContact CE1-CD2 3.9Å; F16-L73 HydrophobicContact CZ-CD2 3.85Å; V49-L73 HydrophobicContact CG1-CD1 3.91Å; I66-L73 HydrophobicContact CB-CD1 4.34Å; I66-L73 HydrophobicContact CG1-CD1 4.2Å; I66-L73 HydrophobicContact CG1-CD2 4.23Å; I66-L73 HydrophobicContact CG2-CD1 4.25Å; I66-L73 HydrophobicContact CG2-CD2 3.87Å; C69-L73 HydrophobicContact CB-CD1 3.73Å; L73-I75 HydrophobicContact CD2-CG2 3.91Å; L73-I75 HydrophobicContact CG-CG2 3.95Å
74	F	93.3	Very high	76.4	Confident	87 Å²	87	80.2 Å²	80.2	38%	0.382	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.9	174.3	-65.2	-90.2	0	0	0	109.3	V5 E6 N50 K72	V5-F74 WeakPolarHBondContact O-CA 3.1Å; E6-F74 HydrophobicContact CB-CD1 3.99Å; E6-F74 HydrophobicContact CB-CE1 3.77Å; E6-F74 HydrophobicContact CG-CD1 4.1Å; E6-F74 HydrophobicContact CG-CE1 3.55Å; E6-F74 HydrophobicContact CG-CZ 3.8Å; E6-F74 VanDerWaalsContact OE2-CE1 3.27Å; E6-F74 WeakPolarHBondContact OE2-CE1 3.49Å; N50-F74 PolarHBondContact N-O 2.66Å; N50-F74 PolarHBondContact OD1-N 3.12Å; N50-F74 PolarHBondContact OD1-O 3.08Å; K72-F74 HydrophobicContact CB-CE2 3.84Å; K72-F74 HydrophobicContact CB-CZ 4.29Å; K72-F74 HydrophobicContact CD-CZ 4.48Å; K72-F74 WeakPolarHBondContact O-CD2 3.49Å
75	I	93.8	Very high	73.5	Confident	1 Å²	1	82.4 Å²	82.4	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.7	174.1	64.2	175.7	0	0	0	111.1	V4 V5 I7 I26 V40 L46 K48 V49 L73 V77	V4-I75 CarbonylContact C-O 3.58Å; V4-I75 WeakPolarHBondContact CA-O 3.16Å; V5-I75 HydrophobicContact CB-CG1 3.95Å; V5-I75 PolarHBondContact N-O 2.76Å; V5-I75 PolarHBondContact O-N 3.36Å; I7-I75 HydrophobicContact CD1-CD1 3.9Å; I7-I75 HydrophobicContact CD1-CG1 4.32Å; I26-I75 HydrophobicContact CD1-CD1 3.98Å; V40-I75 HydrophobicContact CG2-CD1 4.09Å; L46-I75 HydrophobicContact CD1-CB 3.73Å; L46-I75 HydrophobicContact CD1-CD1 4.16Å; L46-I75 HydrophobicContact CD1-CG1 4.48Å; L46-I75 HydrophobicContact CD1-CG2 3.86Å; K48-I75 WeakPolarHBondContact O-CA 3.26Å; V49-I75 HydrophobicContact CG2-CG2 4.34Å; L73-I75 HydrophobicContact CD2-CG2 3.91Å; L73-I75 HydrophobicContact CG-CG2 3.95Å; I75-V77 HydrophobicContact CB-CG1 4.38Å; I75-V77 HydrophobicContact CD1-CG1 3.69Å; I75-V77 HydrophobicContact CG1-CG1 3.99Å
76	E	93.7	Very high	70.6	Confident	40 Å²	40	89.1 Å²	89.1	19%	0.187	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	164.4	-172.1	-179.2	143.2	0	0	107.4	V4 L47 K48	V4-E76 HydrophobicContact CG2-CB 4.33Å; V4-E76 HydrophobicContact CG2-CG 4.19Å; L47-E76 WeakPolarHBondContact CA-O 3.39Å; L47-E76 HydrophobicContact CB-CB 4.36Å; L47-E76 HydrophobicContact CB-CG 4.28Å; L47-E76 WeakPolarHBondContact CB-O 3.49Å; L47-E76 HydrophobicContact CD1-CG 4.34Å; L47-E76 PolarHBondContact N-O 2.91Å; K48-E76 HydrophobicContact CB-CB 3.8Å; K48-E76 WeakPolarHBondContact CD-OE2 3.47Å; K48-E76 HydrophobicContact CG-CB 4.04Å; K48-E76 PolarHBondContact N-O 3Å; K48-E76 VanDerWaalsContact N-O 3.13Å; K48-E76 IonicContact NZ-OE1 3.25Å; K48-E76 IonicContact NZ-OE2 3.38Å; K48-E76 PolarHBondContact NZ-OE2 3.19Å; K48-E76 PolarHBondContact O-N 3.42Å
77	V	92.1	Very high	67.5	Low	0 Å²	0	94.3 Å²	94.3	0%	0	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.5	-178.9	-65.2	0	0	0	0	111.9	R2 R3 V5 I26 D44 I45 L46 I75	R2-V77 WeakPolarHBondContact CA-O 3.39Å; R3-V77 HydrophobicContact CG-CG2 3.61Å; R3-V77 PolarHBondContact N-O 3.42Å; R3-V77 PolarHBondContact O-N 3.26Å; V5-V77 HydrophobicContact CG2-CG2 4.27Å; I26-V77 HydrophobicContact CD1-CG1 4.11Å; D44-V77 HydrophobicContact CB-CB 4Å; D44-V77 HydrophobicContact CB-CG1 4.19Å; D44-V77 HydrophobicContact CB-CG2 4.34Å; I45-V77 CarbonylContact O-C 3.56Å; I45-V77 WeakPolarHBondContact O-CA 3.4Å; L46-V77 HydrophobicContact CD1-CG1 3.9Å; I75-V77 HydrophobicContact CB-CG1 4.38Å; I75-V77 HydrophobicContact CD1-CG1 3.69Å; I75-V77 HydrophobicContact CG1-CG1 3.99Å
78	E	88.9	Confident	64.7	Low	58 Å²	58	94.2 Å²	94.2	27%	0.271	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	97.1	168.8	-178.5	142.4	-118.7	0	0	108.5	R2 I45 L47 Q80	R2-E78 HydrophobicContact CG-CB 4.1Å; R2-E78 HydrophobicContact CG-CG 4.13Å; R2-E78 VanDerWaalsContact CG-OE1 3.24Å; R2-E78 WeakPolarHBondContact CG-OE1 3.36Å; R2-E78 IonicContact CZ-OE1 3.18Å; R2-E78 IonicContact CZ-OE2 3.57Å; R2-E78 IonicContact NE-OE1 2.75Å; R2-E78 PolarHBondContact NE-OE1 3.44Å; R2-E78 IonicContact NE-OE2 2.76Å; R2-E78 PolarHBondContact NE-OE2 3.41Å; R2-E78 IonicContact NH2-OE1 2.67Å; R2-E78 PolarHBondContact NH2-OE1 3.03Å; R2-E78 IonicContact NH2-OE2 3.28Å; R2-E78 PolarHBondContact NH2-OE2 3.27Å; I45-E78 HydrophobicContact CB-CB 4.35Å; I45-E78 WeakPolarHBondContact CB-O 3.18Å; I45-E78 PolarHBondContact N-O 2.98Å; I45-E78 PolarHBondContact O-N 2.99Å; L47-E78 HydrophobicContact CD1-CB 3.9Å; L47-E78 HydrophobicContact CD2-CB 3.98Å; L47-E78 HydrophobicContact CG-CB 3.94Å; E78-Q80 PolarHBondContact O-N 3.37Å
79	S	79.5	Confident	61.9	Low	24 Å²	24	92 Å²	92	17%	0.168	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	117.4	171.9	-54.1	0	0	0	0	108.8	M1 R3 D44 E81	M1-S79 PolarHBondContact N-O 3.02Å; M1-S79 PolarHBondContact O-N 3.13Å; R3-S79 PolarHBondContact NE-OG 3.15Å; D44-S79 VanDerWaalsContact OD1-CA 3.23Å; D44-S79 WeakPolarHBondContact OD1-CA 3.39Å; D44-S79 WeakPolarHBondContact OD1-CB 3.42Å; D44-S79 PolarHBondContact OD1-OG 3.4Å; S79-E81 PolarHBondContact O-N 3.39Å
80	Q	60	Low	59.2	Low	137 Å²	137	96.7 Å²	96.7	64%	0.64	50%	0.495	S	S	*	.			trans	-64	105.2	163.5	-71.4	-154.9	-3.3	0	0	108	I45 E78 S82	I45-Q80 HydrophobicContact CD1-CG 3.74Å; I45-Q80 HydrophobicContact CG1-CG 4.16Å; E78-Q80 PolarHBondContact O-N 3.37Å; Q80-S82 PolarHBondContact O-N 2.84Å
81	E	44.7	Very low	56.8	Low	146 Å²	146	94.1 Å²	94.1	68%	0.682	49%	0.49	S	S	*	.			trans	-66	87.7	165	-80.2	162	-123.5	0	0	108.3	M1 S79 K83	M1-E81 VanDerWaalsContact CA-OE1 3.28Å; M1-E81 WeakPolarHBondContact CA-OE1 3.43Å; M1-E81 WeakPolarHBondContact CB-OE1 3.1Å; M1-E81 PolarHBondContact N-OE1 3Å; S79-E81 PolarHBondContact O-N 3.39Å; E81-K83 PolarHBondContact O-N 3.05Å
82	S	35.6	Very low	54.1	Low	64 Å²	64	95.3 Å²	95.3	45%	0.448	50%	0.501	S	S	.	.			trans	-54.8	130.3	156.5	74.6	0	0	0	0	107.2	Q80 F84	Q80-S82 PolarHBondContact O-N 2.84Å; S82-F84 PolarHBondContact O-N 3.3Å
83	K	30.6	Very low	51.2	Low	186 Å²	186	98 Å²	98	81%	0.809	52%	0.515	S	S	*	.	S	Bend	trans	-76.8	48.1	169.5	-69.6	-168.4	171.3	-168.9	0	110.2	E81 R112	E81-K83 PolarHBondContact O-N 3.05Å; K83-R112 VanDerWaalsContact O-CZ 3.32Å; K83-R112 PolarHBondContact O-NH1 2.96Å; K83-R112 PolarHBondContact O-NH2 3.18Å
84	F	29.9	Very low	48	Very low	74 Å²	74	103.5 Å²	103.5	33%	0.325	55%	0.554	S	S	.	*			trans	-145.2	41.4	-169.5	-68.8	-96.3	0	0	0	110.3	S82 R112 T114 D161	S82-F84 PolarHBondContact O-N 3.3Å; F84-R112 VanDerWaalsContact CD1-CZ 3.48Å; F84-R112 VanDerWaalsContact CE1-CZ 3.41Å; F84-T114 HydrophobicContact CE1-CG2 4.01Å; F84-D161 HydrophobicContact CE1-CB 4.42Å; F84-D161 HydrophobicContact CZ-CB 3.8Å; F84-D161 WeakPolarHBondContact CZ-OD2 3.34Å
85	S	27.2	Very low	45	Very low	104 Å²	104	105 Å²	105	73%	0.727	58%	0.575	S	S	*	*			trans	-150.2	49.6	176.7	-67.8	0	0	0	0	112.2
86	Q	27.4	Very low	41.9	Very low	190 Å²	190	113.6 Å²	113.6	89%	0.888	62%	0.615	S	S	*	*			trans	-154.7	148.5	165.7	-135.2	160.7	8	0	0	110.5
87	C	25.6	Very low	39	Very low	114 Å²	114	120.7 Å²	120.7	77%	0.77	65%	0.648	S	S	*	*			trans	59.8	86.2	-164.5	-60.1	0	0	0	0	112.3
88	I	27.6	Very low	35.8	Very low	147 Å²	147	128.6 Å²	128.6	75%	0.754	69%	0.69	S	S	*	*				67.1	110.3	77.1	-60.5	168.2	0	0	0	111.1	C90	I88-C90 PolarHBondContact O-N 3.46Å
89	I	27	Very low	33.2	Very low	149 Å²	149	131.4 Å²	131.4	76%	0.764	72%	0.716	S	S	*	*			trans	-66.3	118.7	158.2	-61.3	163.7	0	0	0	106.4	P91	I89-P91 WeakPolarHBondContact O-CD 3.42Å
90	C	24.2	Very low	30.7	Very low	109 Å²	109	139.1 Å²	139.1	74%	0.736	75%	0.749	S	S	*	*			trans	-88.1	113.4	157.4	-66.1	0	0	0	0	107.2	I88 L92	I88-C90 PolarHBondContact O-N 3.46Å; C90-L92 PolarHBondContact O-N 3.5Å
91	P	27.2	Very low	29.1	Very low	87 Å²	87	137.5 Å²	137.5	57%	0.565	75%	0.752	S	S	*	*			trans	-60.5	131.6	164.8	-16.8	31.3	0	0	0	108.2	I89 E93	I89-P91 WeakPolarHBondContact O-CD 3.42Å; P91-E93 HydrophobicContact CB-CB 4.44Å; P91-E93 HydrophobicContact CB-CG 3.92Å; P91-E93 PolarHBondContact O-N 3.21Å
92	L	25.8	Very low	28.1	Very low	183 Å²	183	139.2 Å²	139.2	96%	0.958	76%	0.762	S	S	*	*			trans	-81.1	61.3	171.8	-165.5	73.8	0	0	0	109.4	C90	C90-L92 PolarHBondContact O-N 3.5Å
93	E	27.2	Very low	27.9	Very low	159 Å²	159	142 Å²	142	74%	0.743	78%	0.776	S	S	*	*			trans	-95.1	105.8	179.8	-74.2	-173.2	156.5	0	0	110.9	P91	P91-E93 HydrophobicContact CB-CB 4.44Å; P91-E93 HydrophobicContact CB-CG 3.92Å; P91-E93 PolarHBondContact O-N 3.21Å
94	S	25.5	Very low	27.6	Very low	115 Å²	115	138.9 Å²	138.9	80%	0.804	78%	0.778	S	S	*	*			trans	27.3	96	143.1	58.7	0	0	0	0	119
95	S	30.7	Very low	27.5	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	80%	0.799	S	S	*	*				-157.9	140	126.6	59.6	0	0	0	0	111.6
96	H	29.2	Very low	27.6	Very low	180 Å²	180	145 Å²	145	83%	0.833	81%	0.805	S	S	*	*			trans	-76.1	142	168.6	-62.1	-108.2	0	0	0	109.3
97	Q	32.6	Very low	27.8	Very low	190 Å²	190	144.5 Å²	144.5	89%	0.888	80%	0.802	S	S	*	*				179.9	160.3	109.5	-95.6	173.8	16	0	0	112.8
98	N	26	Very low	28.1	Very low	166 Å²	166	145.7 Å²	145.7	89%	0.888	79%	0.794	S	S	*	*			trans	-68.5	138.4	-169.3	-58.2	-26	0	0	0	113.8
99	S	32.8	Very low	28.3	Very low	116 Å²	116	143.2 Å²	143.2	81%	0.811	80%	0.796	S	S	*	*			trans	-152.2	132.3	134.1	53.2	0	0	0	0	111.5
100	H	27.4	Very low	29	Very low	187 Å²	187	140 Å²	140	87%	0.866	78%	0.775	S	S	*	*			trans	-72.4	135.3	169.8	-103.7	-115.6	0	0	0	109.7
101	C	26.5	Very low	30.9	Very low	103 Å²	103	138.1 Å²	138.1	70%	0.696	76%	0.763	S	S	*	*			trans	-148.3	110.6	154.4	-169.7	0	0	0	0	110.9
102	M	24.5	Very low	33.2	Very low	182 Å²	182	138.6 Å²	138.6	90%	0.897	75%	0.753	S	S	*	*			trans	-102.8	99	167.2	-68.5	-157	111.8	0	0	109.6
103	T	31.3	Very low	36	Very low	122 Å²	122	130.5 Å²	130.5	75%	0.748	71%	0.711	S	S	*	*			trans	-135	116.4	169.4	51.8	0	0	0	0	111.9
104	S	25	Very low	39	Very low	121 Å²	121	124 Å²	124	85%	0.846	68%	0.683	S	S	*	*			trans	-50.6	130.3	172.5	139.8	0	0	0	0	113.5
105	S	27.8	Very low	42.2	Very low	108 Å²	108	118.6 Å²	118.6	76%	0.755	65%	0.645	S	S	*	*			trans	-159.2	160.8	130.2	-152	0	0	0	0	114.3	H107	S105-H107 PolarHBondContact O-N 3.28Å
106	K	27.7	Very low	45.1	Very low	199 Å²	199	113 Å²	113	87%	0.865	61%	0.605	S	S	*	*			trans	-78.2	76.9	-163.7	-63	170.9	178.4	174.2	0	114.4
107	H	32.6	Very low	48.1	Very low	178 Å²	178	104.4 Å²	104.4	82%	0.824	57%	0.566	S	S	*	*			trans	-129.1	100.2	164.2	-83.7	-90.3	0	0	0	111.7	S105 A109	S105-H107 PolarHBondContact O-N 3.28Å; H107-A109 PolarHBondContact O-N 2.98Å; H107-A109 VanDerWaalsContact O-N 3.1Å
108	K	32.3	Very low	50.8	Low	139 Å²	139	95.6 Å²	95.6	60%	0.604	53%	0.525	S	S	*	.			trans	-65.2	105.9	162.6	-118.1	-174.1	177	-174	0	106.7	Y110	K108-Y110 PolarHBondContact O-N 3.03Å; K108-Y110 VanDerWaalsContact O-N 3.11Å
109	A	32	Very low	53.8	Low	95 Å²	95	89.6 Å²	89.6	79%	0.785	49%	0.49	S	S	*	.			trans	-69.3	106.6	175.8	0	0	0	0	0	108.9	H107 S111	H107-A109 PolarHBondContact O-N 2.98Å; H107-A109 VanDerWaalsContact O-N 3.1Å; A109-S111 PolarHBondContact O-N 3.49Å
110	Y	41.8	Very low	56.3	Low	82 Å²	82	84.2 Å²	84.2	32%	0.322	45%	0.453	S	S	.	.			trans	-69	95.7	176.1	-83.5	-74.2	0	0	0	109.9	K108 T281 D285	K108-Y110 PolarHBondContact O-N 3.03Å; K108-Y110 VanDerWaalsContact O-N 3.11Å; Y110-T281 HydrophobicContact CE1-CG2 4.41Å; Y110-D285 PolarHBondContact OH-OD2 3.39Å
111	S	62.7	Low	59	Low	69 Å²	69	75.6 Å²	75.6	48%	0.483	42%	0.415	S	S	.	.			trans	-58.4	137.6	169.5	41.5	0	0	0	0	110.7	A109 H278	A109-S111 PolarHBondContact O-N 3.49Å; S111-H278 PolarHBondContact OG-CD2 3.36Å; S111-H278 PolarHBondContact OG-NE2 3.12Å
112	R	75.7	Confident	61.9	Low	97 Å²	97	73.1 Å²	73.1	37%	0.366	40%	0.398	S	S	.	.			trans	-83.9	133.3	172.6	-171.3	-173.5	-154.4	138.7	17.3	109.3	K83 F84 D161 I162 C163	K83-R112 VanDerWaalsContact O-CZ 3.32Å; K83-R112 PolarHBondContact O-NH1 2.96Å; K83-R112 PolarHBondContact O-NH2 3.18Å; F84-R112 VanDerWaalsContact CD1-CZ 3.48Å; F84-R112 VanDerWaalsContact CE1-CZ 3.41Å; R112-D161 IonicContact CZ-OD1 2.67Å; R112-D161 IonicContact CZ-OD2 2.71Å; R112-D161 IonicContact NE-OD1 2.81Å; R112-D161 PolarHBondContact NE-OD1 2.56Å; R112-D161 IonicContact NE-OD2 3.36Å; R112-D161 PolarHBondContact NE-OD2 3.13Å; R112-D161 IonicContact NH2-OD1 3.66Å; R112-D161 IonicContact NH2-OD2 2.74Å; R112-D161 PolarHBondContact NH2-OD2 3.24Å; R112-I162 WeakPolarHBondContact CA-O 3.31Å; R112-C163 HydrophobicContact CG-CB 4.24Å
113	T	85.1	Confident	64.8	Low	13 Å²	13	66.1 Å²	66.1	8%	0.08	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127	168.3	-76.7	0	0	0	0	110	D161 I162 H278	T113-D161 WeakPolarHBondContact O-CA 3.32Å; T113-I162 PolarHBondContact N-O 3Å; T113-I162 VanDerWaalsContact N-O 3.09Å; T113-I162 PolarHBondContact O-N 2.9Å; T113-H278 PolarHBondContact OG1-CD2 3.07Å; T113-H278 PolarHBondContact OG1-CE1 3.25Å; T113-H278 PolarHBondContact OG1-ND1 3.32Å; T113-H278 VanDerWaalsContact OG1-ND1 3.1Å; T113-H278 PolarHBondContact OG1-NE2 2.78Å; T113-H278 VanDerWaalsContact OG1-NE2 3.17Å
114	T	89.7	Confident	67.5	Low	23 Å²	23	65.3 Å²	65.3	14%	0.141	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	97.2	-170	-54	0	0	0	0	108.2	F84 L159 V160 D161 N267	F84-T114 HydrophobicContact CE1-CG2 4.01Å; T114-L159 HydrophobicContact CG2-CD1 3.64Å; T114-L159 HydrophobicContact CG2-CD2 4.47Å; T114-L159 HydrophobicContact CG2-CG 4.49Å; T114-V160 CarbonylContact C-O 3.57Å; T114-V160 WeakPolarHBondContact CA-O 3.49Å; T114-D161 PolarHBondContact OG1-OD1 3.39Å; T114-N267 WeakPolarHBondContact O-CA 3.5Å; T114-N267 PolarHBondContact O-ND2 2.82Å
115	S	92.3	Very high	70.3	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140	-170.6	-55.5	0	0	0	0	111.5	V160	S115-V160 PolarHBondContact N-O 2.93Å; S115-V160 PolarHBondContact O-N 3Å
116	V	92.2	Very high	73	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.9	174.9	-171.7	0	0	0	0	109.3	I157 C158 L159 L235 I248 F252 I254 N267 F268	V116-I157 HydrophobicContact CG1-CG2 3.37Å; V116-C158 WeakPolarHBondContact CA-O 3.41Å; V116-C158 WeakPolarHBondContact CG1-O 3.27Å; V116-L159 HydrophobicContact CG2-CD1 4.18Å; V116-L235 HydrophobicContact CB-CD1 4.31Å; V116-L235 HydrophobicContact CG1-CD1 4.17Å; V116-L235 WeakPolarHBondContact O-CD1 3.12Å; V116-I248 HydrophobicContact CG1-CG2 4.04Å; V116-F252 HydrophobicContact CG1-CD2 4.26Å; V116-F252 HydrophobicContact CG1-CE2 3.83Å; V116-F252 HydrophobicContact CG2-CD2 4.2Å; V116-I254 HydrophobicContact CG2-CD1 3.65Å; V116-N267 PolarHBondContact N-O 3.35Å; V116-F268 HydrophobicContact CB-CD1 3.84Å; V116-F268 HydrophobicContact CB-CE1 3.55Å; V116-F268 HydrophobicContact CB-CZ 4.2Å; V116-F268 HydrophobicContact CG1-CD1 4.43Å; V116-F268 HydrophobicContact CG1-CE1 3.89Å; V116-F268 HydrophobicContact CG2-CD1 4.16Å; V116-F268 HydrophobicContact CG2-CE1 3.51Å; V116-F268 HydrophobicContact CG2-CE2 4.35Å; V116-F268 HydrophobicContact CG2-CZ 3.62Å
117	F	92.7	Very high	75.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.6	179.2	-66.1	-57.9	0	0	0	111.3	C158 V160 F232 R233 T234 P269 T272 A275	F117-C158 PolarHBondContact N-O 3.07Å; F117-C158 PolarHBondContact O-N 2.91Å; F117-C158 PolarHBondContact O-SG 2.92Å; F117-C158 VanDerWaalsContact O-SG 3.35Å; F117-V160 HydrophobicContact CD2-CB 3.94Å; F117-V160 HydrophobicContact CD2-CG2 3.79Å; F117-V160 HydrophobicContact CE2-CB 4.26Å; F117-F232 HydrophobicContact CB-CB 4.32Å; F117-F232 HydrophobicContact CB-CD1 4.41Å; F117-R233 WeakPolarHBondContact CB-O 3.49Å; F117-T234 HydrophobicContact CD1-CG2 4.24Å; F117-T234 HydrophobicContact CE1-CG2 3.97Å; F117-P269 HydrophobicContact CE1-CG 3.98Å; F117-P269 HydrophobicContact CZ-CG 4.24Å; F117-T272 HydrophobicContact CD1-CG2 4.31Å; F117-T272 HydrophobicContact CE1-CG2 3.77Å; F117-T272 HydrophobicContact CZ-CG2 4.19Å; F117-A275 HydrophobicContact CE2-CB 3.84Å; F117-A275 HydrophobicContact CZ-CB 3.87Å
118	V	89.3	Confident	77.7	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.5	163.5	173.6	0	0	0	0	108.8	A120 I150 I155 F232 R233 L235	V118-A120 PolarHBondContact O-N 3.42Å; V118-I150 HydrophobicContact CG1-CD1 4.07Å; V118-I155 HydrophobicContact CB-CG2 4.34Å; V118-I155 HydrophobicContact CG1-CG2 3.7Å; V118-I155 HydrophobicContact CG2-CG2 3.7Å; V118-F232 CarbonylContact O-C 3.57Å; V118-F232 VanDerWaalsContact O-CA 3.32Å; V118-F232 WeakPolarHBondContact O-CA 3.1Å; V118-R233 HydrophobicContact CB-CB 4.33Å; V118-R233 PolarHBondContact N-O 2.82Å; V118-R233 PolarHBondContact O-N 2.89Å; V118-L235 HydrophobicContact CG2-CG 4.48Å
119	Y	89.1	Confident	80	Confident	40 Å²	40	41.4 Å²	41.4	16%	0.157	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	110.9	170.4	-177.9	-121.1	0	0	0	110.5	G121 C122 S156 H230 F232	Y119-G121 WeakPolarHBondContact CE2-O 3.15Å; Y119-C122 WeakPolarHBondContact OH-CB 3.18Å; Y119-S156 WeakPolarHBondContact CB-O 3.39Å; Y119-S156 PolarHBondContact N-O 3.46Å; Y119-H230 HydrophobicContact CE2-CB 4.13Å; Y119-H230 AromaticContact CE2-ND1 3.98Å; Y119-H230 AromaticContact CZ-ND1 3.97Å; Y119-H230 PolarHBondContact OH-ND1 2.95Å; Y119-H230 VanDerWaalsContact OH-ND1 3.09Å; Y119-F232 AromaticContact CD2-CD1 3.98Å; Y119-F232 HydrophobicContact CD2-CD1 3.98Å; Y119-F232 AromaticContact CD2-CE1 3.65Å; Y119-F232 HydrophobicContact CD2-CE1 3.65Å; Y119-F232 AromaticContact CD2-CZ 3.99Å; Y119-F232 HydrophobicContact CD2-CZ 3.99Å; Y119-F232 HydrophobicContact CE2-CE1 4.29Å; Y119-F232 HydrophobicContact CE2-CZ 4.18Å
120	A	85.2	Confident	82.1	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.033	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-30.2	-177.8	0	0	0	0	0	112.7	V118 V146 I150 V231	V118-A120 PolarHBondContact O-N 3.42Å; A120-V146 VanDerWaalsContact C-CG1 3.5Å; A120-V146 HydrophobicContact CB-CG1 3.87Å; A120-V146 WeakPolarHBondContact O-CG1 3.29Å; A120-I150 HydrophobicContact CB-CB 4.41Å; A120-I150 HydrophobicContact CB-CD1 3.52Å; A120-I150 HydrophobicContact CB-CG1 3.8Å; A120-V231 HydrophobicContact CB-CB 4.14Å; A120-V231 HydrophobicContact CB-CG1 4.06Å; A120-V231 WeakPolarHBondContact CB-O 3.14Å; A120-V231 PolarHBondContact N-O 3.27Å
121	G	84.6	Confident	83.8	Confident	6 Å²	6	43.8 Å²	43.8	6%	0.062	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-165.2	170.7	0	0	0	0	0	114.5	Y119 H230 V231	Y119-G121 WeakPolarHBondContact CE2-O 3.15Å; G121-H230 WeakPolarHBondContact O-CA 3.4Å; G121-V231 PolarHBondContact N-O 3.16Å; G121-V231 PolarHBondContact O-N 3.11Å
122	C	86.1	Confident	84.3	Confident	50 Å²	50	44.6 Å²	44.6	34%	0.338	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.4	177.9	179.9	0	0	0	0	111	Y119 C229	Y119-C122 WeakPolarHBondContact OH-CB 3.18Å; C122-C229 CarbonylContact C-O 3.23Å; C122-C229 VanDerWaalsContact CA-O 3.32Å; C122-C229 WeakPolarHBondContact CA-O 3.36Å
123	V	86.5	Confident	84.4	Confident	36 Å²	36	45.1 Å²	45.1	22%	0.218	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.7	169.6	-84.4	0	0	0	0	110.7	K142 V146 C229	V123-K142 HydrophobicContact CB-CB 4.46Å; V123-K142 HydrophobicContact CG2-CB 3.92Å; V123-V146 HydrophobicContact CB-CG2 4.18Å; V123-V146 HydrophobicContact CG1-CG2 3.45Å; V123-V146 VanDerWaalsContact CG1-CG2 3.45Å; V123-V146 HydrophobicContact CG2-CG2 3.71Å; V123-C229 HydrophobicContact CG2-CB 4.16Å; V123-C229 PolarHBondContact N-O 2.71Å; V123-C229 PolarHBondContact O-N 3.27Å
124	L	86.9	Confident	84.2	Confident	105 Å²	105	46.9 Å²	46.9	55%	0.55	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.3	175.8	-69.9	171.8	0	0	0	111.4	K142 M227 N228	L124-K142 WeakPolarHBondContact O-CD 3.27Å; L124-K142 WeakPolarHBondContact O-CE 3.42Å; L124-K142 PolarHBondContact O-NZ 2.81Å; L124-M227 CarbonylContact C-O 3.59Å; L124-M227 WeakPolarHBondContact CA-O 3.45Å; L124-N228 WeakPolarHBondContact CD2-OD1 3.41Å
125	V	85.1	Confident	83.9	Confident	2 Å²	2	47 Å²	47	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.7	179.5	-168.6	0	0	0	0	109	F129 I138 L139 K142 S226 M227 C229	V125-F129 HydrophobicContact CG1-CE1 3.98Å; V125-F129 HydrophobicContact CG1-CZ 3.62Å; V125-I138 HydrophobicContact CG1-CG2 4.21Å; V125-L139 HydrophobicContact CG1-CD2 3.95Å; V125-L139 HydrophobicContact CG2-CD2 4Å; V125-K142 HydrophobicContact CG2-CD 4.23Å; V125-S226 CarbonylContact O-C 3.58Å; V125-S226 WeakPolarHBondContact O-CA 3.33Å; V125-M227 HydrophobicContact CB-CB 4.5Å; V125-M227 PolarHBondContact N-O 2.88Å; V125-M227 PolarHBondContact O-N 3.39Å; V125-C229 HydrophobicContact CG2-CB 3.44Å; V125-C229 VanDerWaalsContact CG2-CB 3.44Å
126	P	83.4	Confident	83.3	Confident	31 Å²	31	51 Å²	51	20%	0.201	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	165	170.6	25	-35	0	0	0	112.3	D128 F129 I138 K142 M227	P126-D128 WeakPolarHBondContact CB-OD1 3.49Å; P126-F129 HydrophobicContact CG-CD1 4.38Å; P126-F129 HydrophobicContact CG-CE1 3.83Å; P126-F129 VanDerWaalsContact O-CZ 3.3Å; P126-F129 WeakPolarHBondContact O-CZ 3.43Å; P126-I138 HydrophobicContact CG-CD1 4.37Å; P126-I138 HydrophobicContact CG-CG2 4.32Å; P126-K142 VanDerWaalsContact CD-NZ 3.35Å; P126-M227 WeakPolarHBondContact O-CE 3.49Å
127	T	80	Confident	82.9	Confident	57 Å²	57	53.1 Å²	53.1	35%	0.35	30%	0.295	S	S	.	.	S	Bend	trans	-100.9	-14.2	168.7	46.9	0	0	0	0	112.9	F129 Q225 M227	T127-F129 PolarHBondContact O-N 2.8Å; T127-Q225 HydrophobicContact CG2-CB 4.05Å; T127-Q225 PolarHBondContact OG1-O 3.15Å; T127-M227 HydrophobicContact CG2-CG 3.73Å; T127-M227 HydrophobicContact CG2-SD 4.29Å
128	D	80.2	Confident	82.5	Confident	116 Å²	116	54.4 Å²	54.4	62%	0.62	30%	0.302	S	S	*	.			trans	-101	68.7	-169.4	52.7	-50.8	0	0	0	112.3	P126	P126-D128 WeakPolarHBondContact CB-OD1 3.49Å
129	F	80.1	Confident	82.3	Confident	37 Å²	37	54.3 Å²	54.3	16%	0.162	30%	0.302	C	S	.	.			trans	-86.3	140.5	171.3	-46.3	-68.7	0	0	0	111.4	V125 P126 T127 E135 I138 Y185 M227	V125-F129 HydrophobicContact CG1-CE1 3.98Å; V125-F129 HydrophobicContact CG1-CZ 3.62Å; P126-F129 HydrophobicContact CG-CD1 4.38Å; P126-F129 HydrophobicContact CG-CE1 3.83Å; P126-F129 VanDerWaalsContact O-CZ 3.3Å; P126-F129 WeakPolarHBondContact O-CZ 3.43Å; T127-F129 PolarHBondContact O-N 2.8Å; F129-E135 HydrophobicContact CB-CB 4.23Å; F129-E135 HydrophobicContact CD1-CB 3.83Å; F129-E135 HydrophobicContact CD1-CG 4.3Å; F129-E135 HydrophobicContact CD2-CB 3.86Å; F129-E135 HydrophobicContact CD2-CG 3.95Å; F129-E135 HydrophobicContact CE1-CB 4.06Å; F129-E135 HydrophobicContact CE1-CG 4.04Å; F129-E135 HydrophobicContact CE2-CB 4.09Å; F129-E135 HydrophobicContact CE2-CG 3.67Å; F129-E135 HydrophobicContact CG-CB 3.72Å; F129-E135 HydrophobicContact CG-CG 4.25Å; F129-E135 HydrophobicContact CZ-CB 4.18Å; F129-E135 HydrophobicContact CZ-CG 3.72Å; F129-I138 HydrophobicContact CD1-CD1 4.19Å; F129-I138 HydrophobicContact CE1-CB 4.47Å; F129-I138 HydrophobicContact CE1-CD1 4.31Å; F129-I138 HydrophobicContact CE1-CG2 4.4Å; F129-Y185 HydrophobicContact CE2-CE1 4.43Å; F129-M227 HydrophobicContact CE2-CE 3.84Å; F129-M227 HydrophobicContact CZ-CE 4.15Å
130	K	76.2	Confident	82.2	Confident	177 Å²	177	58.8 Å²	58.8	77%	0.77	32%	0.318	S	S	*	.	S	Bend	trans	-85.6	-21.8	174.2	-55.3	172.5	-157.2	103.7	0	112.6	E134	K130-E134 VanDerWaalsContact CB-OE2 3.25Å; K130-E134 WeakPolarHBondContact CB-OE2 3.27Å; K130-E134 VanDerWaalsContact CG-OE2 3.26Å; K130-E134 WeakPolarHBondContact CG-OE2 3.27Å; K130-E134 PolarHBondContact N-OE2 3.31Å; K130-E134 IonicContact NZ-OE1 2.76Å; K130-E134 PolarHBondContact NZ-OE1 2.87Å; K130-E134 IonicContact NZ-OE2 3.58Å
131	S	76.3	Confident	82.3	Confident	50 Å²	50	66.1 Å²	66.1	35%	0.35	35%	0.345	S	S	.	.	S	Bend	trans	-156.3	159.4	177.7	67.5	0	0	0	0	111.7	T133 E134 E135	S131-T133 PolarHBondContact O-N 2.81Å; S131-T133 PolarHBondContact OG-N 3.38Å; S131-T133 PolarHBondContact OG-OG1 3Å; S131-E134 PolarHBondContact O-N 3.16Å; S131-E134 VanDerWaalsContact O-N 3.1Å; S131-E134 PolarHBondContact OG-N 3.43Å; S131-E135 PolarHBondContact O-N 3.27Å
132	C	73.8	Confident	82.5	Confident	85 Å²	85	69 Å²	69	57%	0.574	36%	0.356	S	S	*	.	H	α-helix	trans	-57.4	-35	169.2	179.1	0	0	0	0	111.9	E135 L136	C132-E135 PolarHBondContact O-N 3.22Å; C132-L136 WeakPolarHBondContact O-CB 3.31Å; C132-L136 WeakPolarHBondContact O-CG 3.4Å; C132-L136 PolarHBondContact O-N 3.15Å
133	T	77.6	Confident	82.6	Confident	109 Å²	109	66.7 Å²	66.7	67%	0.669	34%	0.34	S	S	*	.	H	α-helix	trans	-66.8	-36.1	174.8	50.4	0	0	0	0	112.8	S131 S137	S131-T133 PolarHBondContact O-N 2.81Å; S131-T133 PolarHBondContact OG-N 3.38Å; S131-T133 PolarHBondContact OG-OG1 3Å; T133-S137 VanDerWaalsContact O-CB 3.3Å; T133-S137 WeakPolarHBondContact O-CB 3.39Å; T133-S137 PolarHBondContact O-N 3.45Å; T133-S137 VanDerWaalsContact O-N 3.13Å; T133-S137 PolarHBondContact O-OG 2.97Å
134	E	81.6	Confident	82.5	Confident	49 Å²	49	67.2 Å²	67.2	23%	0.229	34%	0.342	C	S	.	.	H	α-helix	trans	-67.3	-46.9	172.2	-170.7	175.7	-137.8	0	0	110.4	K130 S131 S137 I138	K130-E134 VanDerWaalsContact CB-OE2 3.25Å; K130-E134 WeakPolarHBondContact CB-OE2 3.27Å; K130-E134 VanDerWaalsContact CG-OE2 3.26Å; K130-E134 WeakPolarHBondContact CG-OE2 3.27Å; K130-E134 PolarHBondContact N-OE2 3.31Å; K130-E134 IonicContact NZ-OE1 2.76Å; K130-E134 PolarHBondContact NZ-OE1 2.87Å; K130-E134 IonicContact NZ-OE2 3.58Å; S131-E134 PolarHBondContact O-N 3.16Å; S131-E134 VanDerWaalsContact O-N 3.1Å; S131-E134 PolarHBondContact OG-N 3.43Å; E134-S137 PolarHBondContact O-N 2.82Å; E134-S137 PolarHBondContact O-OG 2.69Å; E134-I138 HydrophobicContact CG-CD1 3.83Å; E134-I138 HydrophobicContact CG-CG1 4.49Å; E134-I138 WeakPolarHBondContact O-CG1 3.41Å; E134-I138 PolarHBondContact O-N 3.17Å
135	E	82.3	Confident	82.4	Confident	26 Å²	26	64.6 Å²	64.6	12%	0.121	33%	0.332	C	S	.	.	H	α-helix	trans	-52.1	-60.4	174.7	177.5	-177.6	156.2	0	0	111.6	F129 S131 C132 S137 I138 L139 Y185	F129-E135 HydrophobicContact CB-CB 4.23Å; F129-E135 HydrophobicContact CD1-CB 3.83Å; F129-E135 HydrophobicContact CD1-CG 4.3Å; F129-E135 HydrophobicContact CD2-CB 3.86Å; F129-E135 HydrophobicContact CD2-CG 3.95Å; F129-E135 HydrophobicContact CE1-CB 4.06Å; F129-E135 HydrophobicContact CE1-CG 4.04Å; F129-E135 HydrophobicContact CE2-CB 4.09Å; F129-E135 HydrophobicContact CE2-CG 3.67Å; F129-E135 HydrophobicContact CG-CB 3.72Å; F129-E135 HydrophobicContact CG-CG 4.25Å; F129-E135 HydrophobicContact CZ-CB 4.18Å; F129-E135 HydrophobicContact CZ-CG 3.72Å; S131-E135 PolarHBondContact O-N 3.27Å; C132-E135 PolarHBondContact O-N 3.22Å; E135-S137 PolarHBondContact O-N 2.91Å; E135-I138 WeakPolarHBondContact O-CA 3.46Å; E135-I138 PolarHBondContact O-N 3.09Å; E135-L139 HydrophobicContact CG-CD1 3.76Å; E135-L139 HydrophobicContact CG-CG 4.16Å; E135-L139 WeakPolarHBondContact O-CG 3.37Å; E135-L139 PolarHBondContact O-N 3.27Å; E135-Y185 WeakPolarHBondContact OE1-CE1 3.43Å; E135-Y185 PolarHBondContact OE2-OH 2.83Å
136	L	80.8	Confident	82.4	Confident	86 Å²	86	64.7 Å²	64.7	45%	0.45	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-38.9	-177.5	-70.1	172.4	0	0	0	111.3	C132 I138 R140	C132-L136 WeakPolarHBondContact O-CB 3.31Å; C132-L136 WeakPolarHBondContact O-CG 3.4Å; C132-L136 PolarHBondContact O-N 3.15Å; L136-I138 VanDerWaalsContact C-N 3.34Å; L136-I138 PolarHBondContact O-N 3.4Å; L136-R140 WeakPolarHBondContact O-CB 3.21Å; L136-R140 PolarHBondContact O-N 3.13Å
137	S	82.5	Confident	82.4	Confident	44 Å²	44	64.3 Å²	64.3	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-33.6	175.9	82.9	0	0	0	0	113.2	T133 E134 E135 R141	T133-S137 VanDerWaalsContact O-CB 3.3Å; T133-S137 WeakPolarHBondContact O-CB 3.39Å; T133-S137 PolarHBondContact O-N 3.45Å; T133-S137 VanDerWaalsContact O-N 3.13Å; T133-S137 PolarHBondContact O-OG 2.97Å; E134-S137 PolarHBondContact O-N 2.82Å; E134-S137 PolarHBondContact O-OG 2.69Å; E135-S137 PolarHBondContact O-N 2.91Å; S137-R141 WeakPolarHBondContact O-CB 3.44Å; S137-R141 WeakPolarHBondContact O-CG 3.37Å; S137-R141 PolarHBondContact O-N 3.48Å; S137-R141 PolarHBondContact O-NE 3.32Å; S137-R141 PolarHBondContact OG-NH2 2.88Å
138	I	85.4	Confident	82.3	Confident	28 Å²	28	66.2 Å²	66.2	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-77.3	-42.4	178.6	-72	173.1	0	0	0	110	V125 P126 F129 E134 E135 L136 R141 K142	V125-I138 HydrophobicContact CG1-CG2 4.21Å; P126-I138 HydrophobicContact CG-CD1 4.37Å; P126-I138 HydrophobicContact CG-CG2 4.32Å; F129-I138 HydrophobicContact CD1-CD1 4.19Å; F129-I138 HydrophobicContact CE1-CB 4.47Å; F129-I138 HydrophobicContact CE1-CD1 4.31Å; F129-I138 HydrophobicContact CE1-CG2 4.4Å; E134-I138 HydrophobicContact CG-CD1 3.83Å; E134-I138 HydrophobicContact CG-CG1 4.49Å; E134-I138 WeakPolarHBondContact O-CG1 3.41Å; E134-I138 PolarHBondContact O-N 3.17Å; E135-I138 WeakPolarHBondContact O-CA 3.46Å; E135-I138 PolarHBondContact O-N 3.09Å; L136-I138 VanDerWaalsContact C-N 3.34Å; L136-I138 PolarHBondContact O-N 3.4Å; I138-R141 PolarHBondContact O-N 2.69Å; I138-K142 HydrophobicContact CG2-CD 3.93Å; I138-K142 WeakPolarHBondContact O-CB 3.17Å; I138-K142 VanDerWaalsContact O-CG 3.3Å; I138-K142 WeakPolarHBondContact O-CG 3.33Å; I138-K142 PolarHBondContact O-N 2.91Å
139	L	85.9	Confident	81.9	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-57.6	-56.7	173.2	-70.2	176.9	0	0	0	109.8	V125 E135 R141 K142 T143 Y198 V200 C229	V125-L139 HydrophobicContact CG1-CD2 3.95Å; V125-L139 HydrophobicContact CG2-CD2 4Å; E135-L139 HydrophobicContact CG-CD1 3.76Å; E135-L139 HydrophobicContact CG-CG 4.16Å; E135-L139 WeakPolarHBondContact O-CG 3.37Å; E135-L139 PolarHBondContact O-N 3.27Å; L139-R141 PolarHBondContact O-N 3.03Å; L139-K142 CarbonylContact O-C 3.58Å; L139-K142 WeakPolarHBondContact O-CA 3.3Å; L139-K142 PolarHBondContact O-N 2.74Å; L139-T143 WeakPolarHBondContact O-CG2 3.46Å; L139-T143 PolarHBondContact O-N 2.69Å; L139-T143 PolarHBondContact O-OG1 2.52Å; L139-T143 VanDerWaalsContact O-OG1 3.09Å; L139-Y198 HydrophobicContact CD1-CE2 3.86Å; L139-V200 HydrophobicContact CD1-CG2 4.29Å; L139-V200 HydrophobicContact CD2-CG2 3.69Å; L139-C229 HydrophobicContact CD2-CB 4.42Å
140	R	86.5	Confident	81.4	Confident	134 Å²	134	63.4 Å²	63.4	51%	0.506	32%	0.32	S	S	.	.	H	α-helix	trans	-48.6	-50.5	176.1	175.1	162.9	-163.7	176.9	13.3	113.5	L136 K142 T143 N144 D191	L136-R140 WeakPolarHBondContact O-CB 3.21Å; L136-R140 PolarHBondContact O-N 3.13Å; R140-K142 VanDerWaalsContact C-N 3.3Å; R140-K142 PolarHBondContact O-N 3.16Å; R140-T143 WeakPolarHBondContact CA-OG1 3.4Å; R140-T143 PolarHBondContact O-OG1 3.45Å; R140-T143 VanDerWaalsContact O-OG1 3.05Å; R140-N144 WeakPolarHBondContact O-CB 3.45Å; R140-N144 VanDerWaalsContact O-CG 3.26Å; R140-N144 PolarHBondContact O-N 3.12Å; R140-D191 WeakPolarHBondContact CD-OD1 3.04Å; R140-D191 WeakPolarHBondContact CG-OD1 3.4Å; R140-D191 VanDerWaalsContact CZ-CG 3.48Å; R140-D191 IonicContact CZ-OD1 2.85Å; R140-D191 IonicContact CZ-OD2 2.8Å; R140-D191 IonicContact NE-OD1 3.65Å; R140-D191 PolarHBondContact NE-OD1 2.99Å; R140-D191 IonicContact NE-OD2 3.7Å; R140-D191 PolarHBondContact NE-OD2 3.33Å; R140-D191 IonicContact NH2-OD1 3.47Å; R140-D191 IonicContact NH2-OD2 3.51Å; R140-D191 PolarHBondContact NH2-OD2 3.29Å
141	R	87	Confident	80.7	Confident	158 Å²	158	57.6 Å²	57.6	60%	0.596	30%	0.295	S	S	*	.	H	α-helix	trans	-63.8	-34	178.5	-77.8	176.5	-75	162	-7.9	112.7	S137 I138 L139 S145	S137-R141 WeakPolarHBondContact O-CB 3.44Å; S137-R141 WeakPolarHBondContact O-CG 3.37Å; S137-R141 PolarHBondContact O-N 3.48Å; S137-R141 PolarHBondContact O-NE 3.32Å; S137-R141 PolarHBondContact OG-NH2 2.88Å; I138-R141 PolarHBondContact O-N 2.69Å; L139-R141 PolarHBondContact O-N 3.03Å; R141-S145 PolarHBondContact O-N 3.02Å
142	K	88.6	Confident	79.4	Confident	66 Å²	66	56.7 Å²	56.7	29%	0.287	29%	0.287	S	S	.	.	H	α-helix	trans	-82.3	-40.2	-178.9	-73.9	-177.6	174.3	-173.7	0	112.8	V123 L124 V125 P126 I138 L139 R140 S145 V146	V123-K142 HydrophobicContact CB-CB 4.46Å; V123-K142 HydrophobicContact CG2-CB 3.92Å; L124-K142 WeakPolarHBondContact O-CD 3.27Å; L124-K142 WeakPolarHBondContact O-CE 3.42Å; L124-K142 PolarHBondContact O-NZ 2.81Å; V125-K142 HydrophobicContact CG2-CD 4.23Å; P126-K142 VanDerWaalsContact CD-NZ 3.35Å; I138-K142 HydrophobicContact CG2-CD 3.93Å; I138-K142 WeakPolarHBondContact O-CB 3.17Å; I138-K142 VanDerWaalsContact O-CG 3.3Å; I138-K142 WeakPolarHBondContact O-CG 3.33Å; I138-K142 PolarHBondContact O-N 2.91Å; L139-K142 CarbonylContact O-C 3.58Å; L139-K142 WeakPolarHBondContact O-CA 3.3Å; L139-K142 PolarHBondContact O-N 2.74Å; R140-K142 VanDerWaalsContact C-N 3.3Å; R140-K142 PolarHBondContact O-N 3.16Å; K142-S145 WeakPolarHBondContact O-CB 3.32Å; K142-S145 PolarHBondContact O-N 3.42Å; K142-V146 PolarHBondContact O-N 3.1Å
143	T	87.6	Confident	78.3	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-46.3	174.2	52.9	0	0	0	0	110.7	L139 R140 S145 V146 I147 V190 Y198 V231	L139-T143 WeakPolarHBondContact O-CG2 3.46Å; L139-T143 PolarHBondContact O-N 2.69Å; L139-T143 PolarHBondContact O-OG1 2.52Å; L139-T143 VanDerWaalsContact O-OG1 3.09Å; R140-T143 WeakPolarHBondContact CA-OG1 3.4Å; R140-T143 PolarHBondContact O-OG1 3.45Å; R140-T143 VanDerWaalsContact O-OG1 3.05Å; T143-S145 PolarHBondContact O-N 3.22Å; T143-V146 WeakPolarHBondContact O-CA 3.09Å; T143-V146 WeakPolarHBondContact O-CB 3.05Å; T143-V146 PolarHBondContact O-N 2.9Å; T143-I147 WeakPolarHBondContact O-CG1 3.26Å; T143-I147 PolarHBondContact O-N 3.23Å; T143-V190 HydrophobicContact CG2-CG2 3.99Å; T143-V190 WeakPolarHBondContact OG1-CG1 3.48Å; T143-Y198 HydrophobicContact CG2-CD1 4.39Å; T143-Y198 HydrophobicContact CG2-CG 4.21Å; T143-V231 HydrophobicContact CG2-CG2 3.94Å
144	N	85.5	Confident	77.1	Confident	46 Å²	46	55.6 Å²	55.6	25%	0.246	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-31.5	176.7	-67.8	-2	0	0	0	111.9	R140 V146 I147 N148 V190 D191	R140-N144 WeakPolarHBondContact O-CB 3.45Å; R140-N144 VanDerWaalsContact O-CG 3.26Å; R140-N144 PolarHBondContact O-N 3.12Å; N144-V146 VanDerWaalsContact C-N 3.26Å; N144-V146 PolarHBondContact O-N 2.92Å; N144-I147 PolarHBondContact O-N 3.18Å; N144-N148 WeakPolarHBondContact O-CB 3.37Å; N144-N148 VanDerWaalsContact O-CG 3.23Å; N144-N148 PolarHBondContact O-N 2.9Å; N144-N148 PolarHBondContact O-OD1 3.26Å; N144-V190 WeakPolarHBondContact OD1-CG1 3.39Å; N144-D191 PolarHBondContact ND2-OD2 3.07Å
145	S	84.7	Confident	76.2	Confident	51 Å²	51	57.5 Å²	57.5	36%	0.357	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-18.2	171.9	-157	0	0	0	0	114.4	R141 K142 T143 K149	R141-S145 PolarHBondContact O-N 3.02Å; K142-S145 WeakPolarHBondContact O-CB 3.32Å; K142-S145 PolarHBondContact O-N 3.42Å; T143-S145 PolarHBondContact O-N 3.22Å; S145-K149 VanDerWaalsContact O-CD 3.26Å; S145-K149 WeakPolarHBondContact O-CD 3.49Å; S145-K149 WeakPolarHBondContact O-CE 3.39Å; S145-K149 WeakPolarHBondContact O-CG 3.31Å; S145-K149 PolarHBondContact O-NZ 3.13Å; S145-K149 PolarHBondContact OG-NZ 3.43Å; S145-K149 VanDerWaalsContact OG-NZ 3.12Å
146	V	83.6	Confident	75.8	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-86.9	-46.3	169.7	178.7	0	0	0	0	110.6	A120 V123 K142 T143 N144 N148 K149 I150 V231	A120-V146 VanDerWaalsContact C-CG1 3.5Å; A120-V146 HydrophobicContact CB-CG1 3.87Å; A120-V146 WeakPolarHBondContact O-CG1 3.29Å; V123-V146 HydrophobicContact CB-CG2 4.18Å; V123-V146 HydrophobicContact CG1-CG2 3.45Å; V123-V146 VanDerWaalsContact CG1-CG2 3.45Å; V123-V146 HydrophobicContact CG2-CG2 3.71Å; K142-V146 PolarHBondContact O-N 3.1Å; T143-V146 WeakPolarHBondContact O-CA 3.09Å; T143-V146 WeakPolarHBondContact O-CB 3.05Å; T143-V146 PolarHBondContact O-N 2.9Å; N144-V146 VanDerWaalsContact C-N 3.26Å; N144-V146 PolarHBondContact O-N 2.92Å; V146-N148 VanDerWaalsContact C-N 3.33Å; V146-N148 PolarHBondContact O-N 3.06Å; V146-K149 CarbonylContact O-C 3.57Å; V146-K149 WeakPolarHBondContact O-CA 3.49Å; V146-K149 PolarHBondContact O-N 2.94Å; V146-I150 PolarHBondContact O-N 3.09Å; V146-I150 VanDerWaalsContact O-N 3.14Å; V146-V231 HydrophobicContact CB-CB 4.46Å; V146-V231 HydrophobicContact CB-CG2 4.17Å; V146-V231 HydrophobicContact CG1-CB 4.05Å; V146-V231 HydrophobicContact CG1-CG2 4.24Å; V146-V231 HydrophobicContact CG2-CG2 4.3Å
147	I	83.9	Confident	76.1	Confident	23 Å²	23	56 Å²	56	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-45.8	180	-65.7	173.1	0	0	0	110.5	T143 N144 K149 I150 V190 F196 V231	T143-I147 WeakPolarHBondContact O-CG1 3.26Å; T143-I147 PolarHBondContact O-N 3.23Å; N144-I147 PolarHBondContact O-N 3.18Å; I147-K149 PolarHBondContact O-N 3.18Å; I147-I150 WeakPolarHBondContact O-CB 3.46Å; I147-I150 WeakPolarHBondContact O-CG2 3.46Å; I147-I150 PolarHBondContact O-N 3.4Å; I147-V190 HydrophobicContact CD1-CB 4.04Å; I147-V190 HydrophobicContact CD1-CG1 3.73Å; I147-V190 HydrophobicContact CD1-CG2 4.24Å; I147-F196 HydrophobicContact CB-CE1 4.3Å; I147-F196 HydrophobicContact CD1-CB 4.17Å; I147-F196 HydrophobicContact CD1-CD1 3.63Å; I147-F196 HydrophobicContact CD1-CD2 4.15Å; I147-F196 HydrophobicContact CD1-CE1 3.95Å; I147-F196 HydrophobicContact CD1-CE2 4.45Å; I147-F196 HydrophobicContact CD1-CG 3.73Å; I147-F196 HydrophobicContact CD1-CZ 4.35Å; I147-F196 HydrophobicContact CG1-CD1 3.71Å; I147-F196 HydrophobicContact CG1-CE1 3.67Å; I147-F196 HydrophobicContact CG1-CG 4.34Å; I147-F196 HydrophobicContact CG1-CZ 4.28Å; I147-F196 HydrophobicContact CG2-CE1 3.83Å; I147-F196 HydrophobicContact CG2-CE2 4.24Å; I147-F196 HydrophobicContact CG2-CZ 3.63Å; I147-V231 HydrophobicContact CG1-CG1 4.25Å
148	N	78.8	Confident	76.4	Confident	98 Å²	98	54 Å²	54	52%	0.524	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.5	177.2	-66.5	2.9	0	0	0	113.8	N144 V146	N144-N148 WeakPolarHBondContact O-CB 3.37Å; N144-N148 VanDerWaalsContact O-CG 3.23Å; N144-N148 PolarHBondContact O-N 2.9Å; N144-N148 PolarHBondContact O-OD1 3.26Å; V146-N148 VanDerWaalsContact C-N 3.33Å; V146-N148 PolarHBondContact O-N 3.06Å
149	K	71.1	Confident	76.6	Confident	82 Å²	82	53 Å²	53	36%	0.357	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	4.7	176.2	-63	175.3	-172.2	139.9	0	113.2	S145 V146 I147 V152	S145-K149 VanDerWaalsContact O-CD 3.26Å; S145-K149 WeakPolarHBondContact O-CD 3.49Å; S145-K149 WeakPolarHBondContact O-CE 3.39Å; S145-K149 WeakPolarHBondContact O-CG 3.31Å; S145-K149 PolarHBondContact O-NZ 3.13Å; S145-K149 PolarHBondContact OG-NZ 3.43Å; S145-K149 VanDerWaalsContact OG-NZ 3.12Å; V146-K149 CarbonylContact O-C 3.57Å; V146-K149 WeakPolarHBondContact O-CA 3.49Å; V146-K149 PolarHBondContact O-N 2.94Å; I147-K149 PolarHBondContact O-N 3.18Å; K149-V152 WeakPolarHBondContact O-CB 3.23Å; K149-V152 PolarHBondContact O-N 2.84Å
150	I	70.4	Confident	76.9	Confident	12 Å²	12	53 Å²	53	6%	0.062	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-65	-43.6	-176.4	-161.7	176.5	0	0	0	111.7	V118 A120 V146 I147 V152 R153 F196 R233	V118-I150 HydrophobicContact CG1-CD1 4.07Å; A120-I150 HydrophobicContact CB-CB 4.41Å; A120-I150 HydrophobicContact CB-CD1 3.52Å; A120-I150 HydrophobicContact CB-CG1 3.8Å; V146-I150 PolarHBondContact O-N 3.09Å; V146-I150 VanDerWaalsContact O-N 3.14Å; I147-I150 WeakPolarHBondContact O-CB 3.46Å; I147-I150 WeakPolarHBondContact O-CG2 3.46Å; I147-I150 PolarHBondContact O-N 3.4Å; I150-V152 PolarHBondContact O-N 3.36Å; I150-R153 PolarHBondContact O-N 3.06Å; I150-F196 HydrophobicContact CD1-CE1 4.42Å; I150-R233 HydrophobicContact CD1-CB 4.01Å
151	H	61.2	Low	77.1	Confident	54 Å²	54	46.9 Å²	46.9	25%	0.25	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-67.7	-15.1	-179.6	-51.6	103.7	0	0	0	113.7	R462	H151-R462 PolarHBondContact CD2-NH1 3.44Å; H151-R462 PolarHBondContact CE1-NH1 2.96Å; H151-R462 PolarHBondContact NE2-NH1 2.52Å
152	V	49.4	Very low	77.2	Confident	32 Å²	32	39.6 Å²	39.6	19%	0.194	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-84.1	-24	-179.1	-175.4	0	0	0	0	112	K149 I150 D427	K149-V152 WeakPolarHBondContact O-CB 3.23Å; K149-V152 PolarHBondContact O-N 2.84Å; I150-V152 PolarHBondContact O-N 3.36Å; V152-D427 HydrophobicContact CG1-CB 4.23Å; V152-D427 WeakPolarHBondContact CG1-OD2 3.41Å; V152-D427 HydrophobicContact CG2-CB 3.98Å; V152-D427 WeakPolarHBondContact CG2-OD1 3.45Å; V152-D427 WeakPolarHBondContact CG2-OD2 3.45Å
153	R	50.9	Low	76.8	Confident	120 Å²	120	37.9 Å²	37.9	45%	0.453	20%	0.204	S	C	.	.	S	Bend	trans	-103.3	150.5	-170.5	-69.1	174.3	169.1	174.2	-4.7	110	I150 I155	I150-R153 PolarHBondContact O-N 3.06Å; R153-I155 PolarHBondContact O-N 3.37Å
154	A	50.7	Low	76.2	Confident	50 Å²	50	44.2 Å²	44.2	41%	0.413	24%	0.237	S	C	.	.			trans	-55.2	127.3	168.9	0	0	0	0	0	109.3	S156 L360	A154-S156 PolarHBondContact O-N 2.89Å; A154-L360 HydrophobicContact CB-CD2 3.86Å
155	I	63.1	Low	75.8	Confident	90 Å²	90	42.8 Å²	42.8	46%	0.462	23%	0.233	S	C	.	.			trans	-69.8	92.8	-175	-61.8	-179.4	0	0	0	108.7	V118 R153 I157	V118-I155 HydrophobicContact CB-CG2 4.34Å; V118-I155 HydrophobicContact CG1-CG2 3.7Å; V118-I155 HydrophobicContact CG2-CG2 3.7Å; R153-I155 PolarHBondContact O-N 3.37Å; I155-I157 HydrophobicContact CG2-CG1 4.28Å; I155-I157 PolarHBondContact O-N 3.28Å; I155-I157 VanDerWaalsContact O-N 3.07Å
156	S	74.9	Confident	75.7	Confident	43 Å²	43	42.9 Å²	42.9	30%	0.301	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	92.2	177.8	-70.2	0	0	0	0	110.1	Y119 A154	Y119-S156 WeakPolarHBondContact CB-O 3.39Å; Y119-S156 PolarHBondContact N-O 3.46Å; A154-S156 PolarHBondContact O-N 2.89Å
157	I	85.8	Confident	75.9	Confident	38 Å²	38	42.8 Å²	42.8	20%	0.195	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.9	171.3	-48.7	-179.1	0	0	0	108.8	V116 I155 I248 F252	V116-I157 HydrophobicContact CG1-CG2 3.37Å; I155-I157 HydrophobicContact CG2-CG1 4.28Å; I155-I157 PolarHBondContact O-N 3.28Å; I155-I157 VanDerWaalsContact O-N 3.07Å; I157-I248 HydrophobicContact CD1-CD1 4.05Å; I157-I248 HydrophobicContact CD1-CG1 4.46Å; I157-I248 HydrophobicContact CG2-CG2 4Å; I157-F252 HydrophobicContact CG2-CE2 3.84Å; I157-F252 HydrophobicContact CG2-CZ 4.21Å
158	C	89.3	Confident	76.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.9	-179.7	65.3	0	0	0	0	111.6	V116 F117 V169 L170 L171	V116-C158 WeakPolarHBondContact CA-O 3.41Å; V116-C158 WeakPolarHBondContact CG1-O 3.27Å; F117-C158 PolarHBondContact N-O 3.07Å; F117-C158 PolarHBondContact O-N 2.91Å; F117-C158 PolarHBondContact O-SG 2.92Å; F117-C158 VanDerWaalsContact O-SG 3.35Å; C158-V169 HydrophobicContact CB-CG1 4.17Å; C158-L170 CarbonylContact C-O 3.5Å; C158-L170 WeakPolarHBondContact CA-O 3.25Å; C158-L170 WeakPolarHBondContact CB-O 3.26Å; C158-L171 HydrophobicContact CB-CD1 3.97Å; C158-L171 HydrophobicContact CB-CG 4.07Å
159	L	90.7	Very high	76.5	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.6	166.3	174.2	59.3	0	0	0	109.1	T114 V116 V169 L170 F252 I254	T114-L159 HydrophobicContact CG2-CD1 3.64Å; T114-L159 HydrophobicContact CG2-CD2 4.47Å; T114-L159 HydrophobicContact CG2-CG 4.49Å; V116-L159 HydrophobicContact CG2-CD1 4.18Å; L159-V169 WeakPolarHBondContact O-CA 3.39Å; L159-L170 HydrophobicContact CB-CB 4.28Å; L159-L170 HydrophobicContact CD2-CD2 4.36Å; L159-L170 PolarHBondContact N-O 2.9Å; L159-L170 PolarHBondContact O-N 3.22Å; L159-F252 HydrophobicContact CB-CD1 3.7Å; L159-F252 HydrophobicContact CB-CE1 3.93Å; L159-F252 HydrophobicContact CB-CG 4.07Å; L159-F252 HydrophobicContact CB-CZ 4.47Å; L159-F252 HydrophobicContact CD2-CB 4.39Å; L159-I254 HydrophobicContact CD1-CD1 3.57Å; L159-I254 HydrophobicContact CD2-CD1 4.06Å; L159-I254 HydrophobicContact CD2-CG1 4.38Å; L159-I254 HydrophobicContact CG-CD1 4.33Å
160	V	91.9	Very high	77.1	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.5	170.3	174.4	0	0	0	0	108.6	T114 S115 F117 I162 L167 Q168 V169 F232	T114-V160 CarbonylContact C-O 3.57Å; T114-V160 WeakPolarHBondContact CA-O 3.49Å; S115-V160 PolarHBondContact N-O 2.93Å; S115-V160 PolarHBondContact O-N 3Å; F117-V160 HydrophobicContact CD2-CB 3.94Å; F117-V160 HydrophobicContact CD2-CG2 3.79Å; F117-V160 HydrophobicContact CE2-CB 4.26Å; V160-I162 HydrophobicContact CG1-CD1 4.4Å; V160-I162 HydrophobicContact CG1-CG1 4.3Å; V160-L167 HydrophobicContact CG1-CD1 3.58Å; V160-Q168 WeakPolarHBondContact CA-O 3.49Å; V160-V169 HydrophobicContact CG2-CG1 4.32Å; V160-V169 HydrophobicContact CG2-CG2 4.33Å; V160-F232 HydrophobicContact CG2-CD1 4.26Å; V160-F232 HydrophobicContact CG2-CE1 4.05Å
161	D	90	Very high	77.4	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.4	176.2	-174.9	56	0	0	0	109.9	F84 R112 T113 T114 Q168	F84-D161 HydrophobicContact CE1-CB 4.42Å; F84-D161 HydrophobicContact CZ-CB 3.8Å; F84-D161 WeakPolarHBondContact CZ-OD2 3.34Å; R112-D161 IonicContact CZ-OD1 2.67Å; R112-D161 IonicContact CZ-OD2 2.71Å; R112-D161 IonicContact NE-OD1 2.81Å; R112-D161 PolarHBondContact NE-OD1 2.56Å; R112-D161 IonicContact NE-OD2 3.36Å; R112-D161 PolarHBondContact NE-OD2 3.13Å; R112-D161 IonicContact NH2-OD1 3.66Å; R112-D161 IonicContact NH2-OD2 2.74Å; R112-D161 PolarHBondContact NH2-OD2 3.24Å; T113-D161 WeakPolarHBondContact O-CA 3.32Å; T114-D161 PolarHBondContact OG1-OD1 3.39Å; D161-Q168 HydrophobicContact CB-CB 4.42Å; D161-Q168 PolarHBondContact N-O 2.84Å; D161-Q168 PolarHBondContact O-N 3.11Å
162	I	88.8	Confident	77.3	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.2	-180	-66.2	160.4	0	0	0	107.1	R112 T113 V160 L167 A275 H278 L279 M282	R112-I162 WeakPolarHBondContact CA-O 3.31Å; T113-I162 PolarHBondContact N-O 3Å; T113-I162 VanDerWaalsContact N-O 3.09Å; T113-I162 PolarHBondContact O-N 2.9Å; V160-I162 HydrophobicContact CG1-CD1 4.4Å; V160-I162 HydrophobicContact CG1-CG1 4.3Å; I162-L167 HydrophobicContact CG1-CD1 3.97Å; I162-A275 HydrophobicContact CD1-CB 4.14Å; I162-A275 WeakPolarHBondContact CD1-O 3.5Å; I162-H278 HydrophobicContact CB-CB 4.46Å; I162-H278 HydrophobicContact CD1-CB 4.15Å; I162-H278 HydrophobicContact CG2-CB 3.8Å; I162-L279 HydrophobicContact CD1-CD1 4.48Å; I162-L279 HydrophobicContact CD1-CD2 4.18Å; I162-L279 HydrophobicContact CD1-CG 3.86Å; I162-L279 HydrophobicContact CG1-CD2 4.4Å; I162-M282 HydrophobicContact CG2-CG 4.43Å; I162-M282 HydrophobicContact CG2-SD 3.58Å; I162-M282 VanDerWaalsContact CG2-SD 3.58Å
163	C	80.5	Confident	77.3	Confident	31 Å²	31	42.7 Å²	42.7	21%	0.209	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	131.5	-172.2	-167.2	0	0	0	0	111.2	R112 G165 V166	R112-C163 HydrophobicContact CG-CB 4.24Å; C163-G165 PolarHBondContact O-N 3.01Å; C163-V166 PolarHBondContact N-O 2.63Å; C163-V166 PolarHBondContact O-N 3.31Å; C163-V166 VanDerWaalsContact O-O 3.12Å
164	L	75.7	Confident	77.4	Confident	135 Å²	135	42.7 Å²	42.7	71%	0.707	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	46.5	170.2	-60.8	171.6	0	0	0	114.8	V166	L164-V166 VanDerWaalsContact C-N 3.27Å; L164-V166 PolarHBondContact O-N 3.2Å
165	G	75.8	Confident	77.7	Confident	16 Å²	16	45.8 Å²	45.8	17%	0.165	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	15.3	179.7	0	0	0	0	0	114.9	C163 A181	C163-G165 PolarHBondContact O-N 3.01Å; G165-A181 PolarHBondContact O-N 3.29Å
166	V	83.3	Confident	78.1	Confident	52 Å²	52	44.2 Å²	44.2	32%	0.315	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.9	175	-175.9	0	0	0	0	110.4	C163 L164 K178	C163-V166 PolarHBondContact N-O 2.63Å; C163-V166 PolarHBondContact O-N 3.31Å; C163-V166 VanDerWaalsContact O-O 3.12Å; L164-V166 VanDerWaalsContact C-N 3.27Å; L164-V166 PolarHBondContact O-N 3.2Å; V166-K178 HydrophobicContact CG1-CB 4.45Å
167	L	88.1	Confident	78.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119	165.2	164.6	66.9	0	0	0	108.1	V160 I162 V169 Y179 L184 I199 L279 M282	V160-L167 HydrophobicContact CG1-CD1 3.58Å; I162-L167 HydrophobicContact CG1-CD1 3.97Å; L167-V169 HydrophobicContact CD1-CG2 4.11Å; L167-V169 HydrophobicContact CG-CG2 4.18Å; L167-Y179 HydrophobicContact CD2-CD2 4.09Å; L167-Y179 HydrophobicContact CD2-CG 4.49Å; L167-Y179 HydrophobicContact CG-CD2 4.2Å; L167-Y179 PolarHBondContact N-O 3Å; L167-Y179 PolarHBondContact O-N 3.44Å; L167-L184 HydrophobicContact CD2-CD2 4.06Å; L167-I199 HydrophobicContact CD2-CD1 3.71Å; L167-I199 HydrophobicContact CD2-CG2 4.05Å; L167-L279 HydrophobicContact CB-CD2 4.45Å; L167-L279 HydrophobicContact CD1-CD2 4.32Å; L167-L279 HydrophobicContact CD2-CD2 4.13Å; L167-M282 HydrophobicContact CB-CE 4.21Å
168	Q	87.4	Confident	77.9	Confident	41 Å²	41	47.2 Å²	47.2	19%	0.192	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.5	173.2	-178.9	174.4	-53	0	0	109.7	V160 D161 T176 A177 K178	V160-Q168 WeakPolarHBondContact CA-O 3.49Å; D161-Q168 HydrophobicContact CB-CB 4.42Å; D161-Q168 PolarHBondContact N-O 2.84Å; D161-Q168 PolarHBondContact O-N 3.11Å; Q168-T176 HydrophobicContact CG-CG2 3.56Å; Q168-A177 WeakPolarHBondContact CA-O 3.28Å; Q168-K178 HydrophobicContact CB-CG 4.33Å; Q168-K178 HydrophobicContact CG-CG 4.06Å
169	V	87.1	Confident	77.6	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.7	176.9	-173.1	0	0	0	0	108.5	C158 L159 V160 L167 L171 T176 A177 Y179 F232	C158-V169 HydrophobicContact CB-CG1 4.17Å; L159-V169 WeakPolarHBondContact O-CA 3.39Å; V160-V169 HydrophobicContact CG2-CG1 4.32Å; V160-V169 HydrophobicContact CG2-CG2 4.33Å; L167-V169 HydrophobicContact CD1-CG2 4.11Å; L167-V169 HydrophobicContact CG-CG2 4.18Å; V169-L171 HydrophobicContact CG1-CD1 4Å; V169-T176 CarbonylContact O-C 3.54Å; V169-T176 WeakPolarHBondContact O-CA 3.45Å; V169-A177 HydrophobicContact CB-CB 4.48Å; V169-A177 PolarHBondContact N-O 3.43Å; V169-A177 PolarHBondContact O-N 2.88Å; V169-Y179 HydrophobicContact CG2-CD2 4.46Å; V169-Y179 HydrophobicContact CG2-CE2 4.19Å; V169-F232 HydrophobicContact CG1-CE1 4Å; V169-F232 HydrophobicContact CG1-CZ 4.37Å; V169-F232 HydrophobicContact CG2-CZ 4.28Å
170	L	83.7	Confident	77	Confident	44 Å²	44	51.5 Å²	51.5	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.7	179.2	168.2	66.1	0	0	0	109.1	C158 L159 T176 F252	C158-L170 CarbonylContact C-O 3.5Å; C158-L170 WeakPolarHBondContact CA-O 3.25Å; C158-L170 WeakPolarHBondContact CB-O 3.26Å; L159-L170 HydrophobicContact CB-CB 4.28Å; L159-L170 HydrophobicContact CD2-CD2 4.36Å; L159-L170 PolarHBondContact N-O 2.9Å; L159-L170 PolarHBondContact O-N 3.22Å; L170-T176 WeakPolarHBondContact CD1-OG1 3.33Å; L170-F252 HydrophobicContact CD2-CD1 4.12Å; L170-F252 HydrophobicContact CG-CD1 4.43Å; L170-F252 HydrophobicContact CG-CE1 4.39Å
171	L	77.4	Confident	76.5	Confident	36 Å²	36	52 Å²	52	19%	0.188	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	157.5	168.5	-83.6	73	0	0	0	109.9	C158 V169 D173 Y175	C158-L171 HydrophobicContact CB-CD1 3.97Å; C158-L171 HydrophobicContact CB-CG 4.07Å; V169-L171 HydrophobicContact CG1-CD1 4Å; L171-D173 PolarHBondContact O-N 2.95Å; L171-Y175 HydrophobicContact CD1-CD1 4.36Å; L171-Y175 PolarHBondContact N-O 2.9Å
172	H	59	Low	75.9	Confident	93 Å²	93	54.9 Å²	54.9	43%	0.431	30%	0.297	S	S	.	.	S	Bend	trans	-52.8	129.7	173.5	-162.8	-67.1	0	0	0	111.3	T251	H172-T251 WeakPolarHBondContact CD2-CG2 3.5Å; H172-T251 VanDerWaalsContact NE2-CG2 3.27Å; H172-T251 WeakPolarHBondContact NE2-CG2 3.26Å
173	D	49.6	Very low	75.6	Confident	80 Å²	80	55.4 Å²	55.4	43%	0.428	30%	0.3	S	S	.	.	S	Bend	trans	53.3	101.8	-171.9	-59.6	-61.3	0	0	0	115.8	K19 L171 Y175	K19-D173 IonicContact NZ-OD1 2.69Å; K19-D173 PolarHBondContact NZ-OD1 3.45Å; L171-D173 PolarHBondContact O-N 2.95Å; D173-Y175 PolarHBondContact O-N 3.29Å
174	T	53.3	Low	75.9	Confident	120 Å²	120	54.1 Å²	54.1	74%	0.736	29%	0.291	S	S	*	.	S	Bend	trans	72.2	-34.7	163.3	73.9	0	0	0	0	119.8	T176	T174-T176 PolarHBondContact O-N 2.94Å; T174-T176 VanDerWaalsContact O-N 3.13Å
175	Y	57	Low	76.4	Confident	114 Å²	114	51 Å²	51	45%	0.447	27%	0.27	S	S	.	.			trans	-78.8	106.7	-173.6	-169.8	-95.8	0	0	0	112.7	L171 D173 A177	L171-Y175 HydrophobicContact CD1-CD1 4.36Å; L171-Y175 PolarHBondContact N-O 2.9Å; D173-Y175 PolarHBondContact O-N 3.29Å; Y175-A177 HydrophobicContact CE1-CB 3.95Å
176	T	70.5	Confident	77.1	Confident	57 Å²	57	51.2 Å²	51.2	35%	0.35	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.7	172.6	-54.3	0	0	0	0	110.7	Q168 V169 L170 T174 K178	Q168-T176 HydrophobicContact CG-CG2 3.56Å; V169-T176 CarbonylContact O-C 3.54Å; V169-T176 WeakPolarHBondContact O-CA 3.45Å; L170-T176 WeakPolarHBondContact CD1-OG1 3.33Å; T174-T176 PolarHBondContact O-N 2.94Å; T174-T176 VanDerWaalsContact O-N 3.13Å; T176-K178 HydrophobicContact CG2-CG 4.3Å
177	A	75.5	Confident	77.5	Confident	10 Å²	10	49.1 Å²	49.1	8%	0.083	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	145.1	165.2	0	0	0	0	0	110.6	Q168 V169 Y175 Y179	Q168-A177 WeakPolarHBondContact CA-O 3.28Å; V169-A177 HydrophobicContact CB-CB 4.48Å; V169-A177 PolarHBondContact N-O 3.43Å; V169-A177 PolarHBondContact O-N 2.88Å; Y175-A177 HydrophobicContact CE1-CB 3.95Å; A177-Y179 HydrophobicContact CB-CD2 4.36Å; A177-Y179 HydrophobicContact CB-CE2 3.51Å
178	K	80.6	Confident	77.6	Confident	135 Å²	135	49.5 Å²	49.5	59%	0.587	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.6	176.8	-76.1	172.1	174	167.3	0	109.8	V166 Q168 T176	V166-K178 HydrophobicContact CG1-CB 4.45Å; Q168-K178 HydrophobicContact CB-CG 4.33Å; Q168-K178 HydrophobicContact CG-CG 4.06Å; T176-K178 HydrophobicContact CG2-CG 4.3Å
179	Y	83.1	Confident	77.7	Confident	44 Å²	44	50 Å²	50	17%	0.173	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	101	-178.3	-55	-89.3	0	0	0	108.8	L167 V169 A177 T201 H230	L167-Y179 HydrophobicContact CD2-CD2 4.09Å; L167-Y179 HydrophobicContact CD2-CG 4.49Å; L167-Y179 HydrophobicContact CG-CD2 4.2Å; L167-Y179 PolarHBondContact N-O 3Å; L167-Y179 PolarHBondContact O-N 3.44Å; V169-Y179 HydrophobicContact CG2-CD2 4.46Å; V169-Y179 HydrophobicContact CG2-CE2 4.19Å; A177-Y179 HydrophobicContact CB-CD2 4.36Å; A177-Y179 HydrophobicContact CB-CE2 3.51Å; Y179-T201 HydrophobicContact CD1-CG2 3.69Å; Y179-T201 HydrophobicContact CE1-CG2 3.8Å; Y179-T201 HydrophobicContact CG-CG2 4.36Å; Y179-H230 PolarHBondContact OH-CE1 2.81Å; Y179-H230 VanDerWaalsContact OH-CE1 3.26Å; Y179-H230 PolarHBondContact OH-NE2 2.78Å
180	P	79.3	Confident	77.5	Confident	53 Å²	53	49.9 Å²	49.9	34%	0.344	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	150.9	165.7	-19.9	32.6	0	0	0	110.1	S182 C183	P180-S182 PolarHBondContact O-N 3.31Å; P180-C183 WeakPolarHBondContact O-CB 3.4Å; P180-C183 PolarHBondContact O-N 3.32Å
181	A	80.6	Confident	76.9	Confident	13 Å²	13	50.5 Å²	50.5	11%	0.107	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-48.7	-37.7	178.8	0	0	0	0	0	113.4	G165 C183 L184 M282 I288	G165-A181 PolarHBondContact O-N 3.29Å; A181-C183 PolarHBondContact O-N 2.8Å; A181-C183 VanDerWaalsContact O-N 3.1Å; A181-L184 WeakPolarHBondContact O-CB 3.22Å; A181-L184 PolarHBondContact O-N 3.03Å; A181-M282 HydrophobicContact CB-CB 4.4Å; A181-M282 HydrophobicContact CB-CE 4.1Å; A181-I288 HydrophobicContact CB-CD1 4.11Å
182	S	77.5	Confident	76.7	Confident	67 Å²	67	57.2 Å²	57.2	47%	0.469	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-63.7	-12.8	177.1	59	0	0	0	0	115.8	P180	P180-S182 PolarHBondContact O-N 3.31Å
183	C	82.9	Confident	77.7	Confident	16 Å²	16	54.6 Å²	54.6	11%	0.108	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-100	-8.8	174.7	-60	0	0	0	0	112.9	P180 A181 T201 R202	P180-C183 WeakPolarHBondContact O-CB 3.4Å; P180-C183 PolarHBondContact O-N 3.32Å; A181-C183 PolarHBondContact O-N 2.8Å; A181-C183 VanDerWaalsContact O-N 3.1Å; C183-T201 CarbonylContact O-C 3.58Å; C183-T201 VanDerWaalsContact O-CA 3.31Å; C183-T201 WeakPolarHBondContact O-CA 3.37Å; C183-R202 PolarHBondContact O-N 2.99Å
184	L	85.8	Confident	79.5	Confident	3 Å²	3	54 Å²	54	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	152.1	172.3	-52.7	-174.3	0	0	0	109.9	L167 A181 I199 T201 R202 L279 M282 L283	L167-L184 HydrophobicContact CD2-CD2 4.06Å; A181-L184 WeakPolarHBondContact O-CB 3.22Å; A181-L184 PolarHBondContact O-N 3.03Å; L184-I199 HydrophobicContact CD2-CG2 4.05Å; L184-T201 HydrophobicContact CD2-CG2 3.92Å; L184-R202 PolarHBondContact O-NH1 3.03Å; L184-L279 HydrophobicContact CD1-CD2 4.18Å; L184-M282 HydrophobicContact CD1-CE 3.7Å; L184-L283 HydrophobicContact CB-CD2 3.7Å
185	Y	87.5	Confident	81.2	Confident	69 Å²	69	51 Å²	51	27%	0.271	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	-55.5	176.9	-178.6	-80.9	0	0	0	110.8	F129 E135 V200 R202 M227	F129-Y185 HydrophobicContact CE2-CE1 4.43Å; E135-Y185 WeakPolarHBondContact OE1-CE1 3.43Å; E135-Y185 PolarHBondContact OE2-OH 2.83Å; Y185-V200 HydrophobicContact CD1-CB 4.37Å; Y185-V200 HydrophobicContact CD1-CG1 4.15Å; Y185-V200 HydrophobicContact CG-CG1 4.23Å; Y185-V200 PolarHBondContact N-O 3.41Å; Y185-R202 HydrophobicContact CD2-CG 4.38Å; Y185-M227 HydrophobicContact CD1-CE 3.94Å; Y185-M227 HydrophobicContact CD1-SD 4.22Å; Y185-M227 HydrophobicContact CD2-CE 3.7Å; Y185-M227 HydrophobicContact CD2-SD 3.19Å; Y185-M227 WeakPolarHBondContact CD2-SD 3.38Å; Y185-M227 HydrophobicContact CE1-CE 3.96Å; Y185-M227 HydrophobicContact CE2-CE 3.74Å; Y185-M227 HydrophobicContact CE2-SD 3.74Å; Y185-M227 HydrophobicContact CG-CE 3.84Å; Y185-M227 HydrophobicContact CG-SD 3.5Å; Y185-M227 VanDerWaalsContact CG-SD 3.5Å
186	S	90	Very high	82.8	Confident	21 Å²	21	46.4 Å²	46.4	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.9	175.5	62.9	0	0	0	0	110.3	V200	S186-V200 PolarHBondContact O-N 2.57Å; S186-V200 WeakPolarHBondContact OG-CG2 3.47Å
187	A	91.4	Very high	83.9	Confident	9 Å²	9	43.8 Å²	43.8	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.7	171.6	0	0	0	0	0	109.1	Y198 I199 L276 L279 H280 L283	A187-Y198 VanDerWaalsContact CA-O 3.25Å; A187-Y198 WeakPolarHBondContact CA-O 3.45Å; A187-I199 HydrophobicContact CB-CG1 4.49Å; A187-L276 HydrophobicContact CB-CD1 3.88Å; A187-L279 HydrophobicContact CB-CB 4.24Å; A187-L279 HydrophobicContact CB-CD1 4.22Å; A187-H280 PolarHBondContact O-CE1 2.89Å; A187-L283 HydrophobicContact CB-CD1 4.14Å
188	G	90.1	Very high	84.7	Confident	8 Å²	8	44.4 Å²	44.4	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	170.6	-178.9	0	0	0	0	0	113.8	Y198	G188-Y198 PolarHBondContact N-O 3.15Å; G188-Y198 VanDerWaalsContact N-O 3.16Å; G188-Y198 WeakPolarHBondContact O-CD1 3.19Å; G188-Y198 WeakPolarHBondContact O-CE1 3.48Å; G188-Y198 PolarHBondContact O-N 3.34Å
189	H	89.2	Confident	85.3	Confident	52 Å²	52	38 Å²	38	24%	0.241	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	155.4	169.6	-62.9	146.2	0	0	0	111.6	F196 Y198 T272 T273 L276	H189-F196 VanDerWaalsContact CA-O 3.28Å; H189-F196 WeakPolarHBondContact CA-O 3.29Å; H189-Y198 WeakPolarHBondContact O-CE1 3.46Å; H189-T272 PolarHBondContact CD2-OG1 2.91Å; H189-T272 PolarHBondContact NE2-OG1 2.84Å; H189-T273 PolarHBondContact CE1-OG1 2.88Å; H189-L276 WeakPolarHBondContact NE2-CD2 3.41Å
190	V	83.2	Confident	85.7	Confident	4 Å²	4	36 Å²	36	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.8	171.5	-173.1	0	0	0	0	109.5	T143 N144 I147 F192 D193 F196 Y198	T143-V190 HydrophobicContact CG2-CG2 3.99Å; T143-V190 WeakPolarHBondContact OG1-CG1 3.48Å; N144-V190 WeakPolarHBondContact OD1-CG1 3.39Å; I147-V190 HydrophobicContact CD1-CB 4.04Å; I147-V190 HydrophobicContact CD1-CG1 3.73Å; I147-V190 HydrophobicContact CD1-CG2 4.24Å; V190-F192 PolarHBondContact O-N 2.86Å; V190-D193 PolarHBondContact O-N 3.39Å; V190-F196 HydrophobicContact CB-CB 3.96Å; V190-F196 HydrophobicContact CG2-CB 4.06Å; V190-F196 PolarHBondContact N-O 2.67Å; V190-Y198 HydrophobicContact CG2-CD1 4.03Å
191	D	71.6	Confident	86.1	Confident	56 Å²	56	33.6 Å²	33.6	30%	0.299	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	29.4	170.6	-67	15.7	0	0	0	115.8	R140 N144 D193	R140-D191 WeakPolarHBondContact CD-OD1 3.04Å; R140-D191 WeakPolarHBondContact CG-OD1 3.4Å; R140-D191 VanDerWaalsContact CZ-CG 3.48Å; R140-D191 IonicContact CZ-OD1 2.85Å; R140-D191 IonicContact CZ-OD2 2.8Å; R140-D191 IonicContact NE-OD1 3.65Å; R140-D191 PolarHBondContact NE-OD1 2.99Å; R140-D191 IonicContact NE-OD2 3.7Å; R140-D191 PolarHBondContact NE-OD2 3.33Å; R140-D191 IonicContact NH2-OD1 3.47Å; R140-D191 IonicContact NH2-OD2 3.51Å; R140-D191 PolarHBondContact NH2-OD2 3.29Å; N144-D191 PolarHBondContact ND2-OD2 3.07Å; D191-D193 PolarHBondContact O-N 3.48Å
192	F	72.3	Confident	86.1	Confident	178 Å²	178	36.7 Å²	36.7	78%	0.781	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	1.4	-172.6	-51.3	-84.5	0	0	0	116	V190 E194	V190-F192 PolarHBondContact O-N 2.86Å; F192-E194 PolarHBondContact O-N 3.45Å; F192-E194 VanDerWaalsContact O-N 3.15Å
193	D	81.3	Confident	85.6	Confident	38 Å²	38	36.3 Å²	36.3	20%	0.203	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	102	169.7	-172.3	1.8	0	0	0	110.1	V190 D191 K195 F196	V190-D193 PolarHBondContact O-N 3.39Å; D191-D193 PolarHBondContact O-N 3.48Å; D193-K195 PolarHBondContact O-N 3.26Å; D193-K195 VanDerWaalsContact OD1-CB 3.25Å; D193-K195 WeakPolarHBondContact OD1-CB 3.38Å; D193-K195 WeakPolarHBondContact OD1-CG 3.33Å; D193-K195 PolarHBondContact OD1-N 2.87Å; D193-K195 IonicContact OD1-NZ 3.15Å; D193-K195 PolarHBondContact OD1-NZ 3.16Å; D193-K195 IonicContact OD2-NZ 2.68Å; D193-K195 PolarHBondContact OD2-NZ 2.84Å; D193-F196 HydrophobicContact CB-CD2 4.17Å; D193-F196 PolarHBondContact O-N 3.18Å; D193-F196 WeakPolarHBondContact OD2-CD2 3.49Å
194	E	86.8	Confident	84.4	Confident	67 Å²	67	43.4 Å²	43.4	31%	0.313	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	-13.8	176.8	-57.2	-166.2	-173.5	0	0	113.5	F192 F196 S271 T272 T273	F192-E194 PolarHBondContact O-N 3.45Å; F192-E194 VanDerWaalsContact O-N 3.15Å; E194-F196 PolarHBondContact O-N 2.98Å; E194-S271 WeakPolarHBondContact CB-OG 3.45Å; E194-S271 WeakPolarHBondContact OE2-CB 3.29Å; E194-S271 PolarHBondContact OE2-OG 3.17Å; E194-T272 WeakPolarHBondContact O-CB 3.43Å; E194-T272 WeakPolarHBondContact O-CG2 3.43Å; E194-T272 PolarHBondContact O-N 2.87Å; E194-T272 PolarHBondContact O-OG1 3.42Å; E194-T273 PolarHBondContact OE2-OG1 3.3Å
195	K	89	Confident	82.5	Confident	57 Å²	57	47.8 Å²	47.8	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-19.4	172	-59.5	176.8	-136.2	74.9	0	112.9	D193 R233 T234	D193-K195 PolarHBondContact O-N 3.26Å; D193-K195 VanDerWaalsContact OD1-CB 3.25Å; D193-K195 WeakPolarHBondContact OD1-CB 3.38Å; D193-K195 WeakPolarHBondContact OD1-CG 3.33Å; D193-K195 PolarHBondContact OD1-N 2.87Å; D193-K195 IonicContact OD1-NZ 3.15Å; D193-K195 PolarHBondContact OD1-NZ 3.16Å; D193-K195 IonicContact OD2-NZ 2.68Å; D193-K195 PolarHBondContact OD2-NZ 2.84Å; K195-R233 CarbonylContact O-C 3.59Å; K195-R233 VanDerWaalsContact O-CA 3.22Å; K195-R233 WeakPolarHBondContact O-CA 3.27Å; K195-T234 WeakPolarHBondContact CB-OG1 3.12Å; K195-T234 PolarHBondContact O-N 2.84Å
196	F	91.2	Very high	80.1	Confident	18 Å²	18	54.5 Å²	54.5	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122	-176	-69.9	-82.3	0	0	0	113	I147 I150 H189 V190 D193 E194 F232 R233	I147-F196 HydrophobicContact CB-CE1 4.3Å; I147-F196 HydrophobicContact CD1-CB 4.17Å; I147-F196 HydrophobicContact CD1-CD1 3.63Å; I147-F196 HydrophobicContact CD1-CD2 4.15Å; I147-F196 HydrophobicContact CD1-CE1 3.95Å; I147-F196 HydrophobicContact CD1-CE2 4.45Å; I147-F196 HydrophobicContact CD1-CG 3.73Å; I147-F196 HydrophobicContact CD1-CZ 4.35Å; I147-F196 HydrophobicContact CG1-CD1 3.71Å; I147-F196 HydrophobicContact CG1-CE1 3.67Å; I147-F196 HydrophobicContact CG1-CG 4.34Å; I147-F196 HydrophobicContact CG1-CZ 4.28Å; I147-F196 HydrophobicContact CG2-CE1 3.83Å; I147-F196 HydrophobicContact CG2-CE2 4.24Å; I147-F196 HydrophobicContact CG2-CZ 3.63Å; I150-F196 HydrophobicContact CD1-CE1 4.42Å; H189-F196 VanDerWaalsContact CA-O 3.28Å; H189-F196 WeakPolarHBondContact CA-O 3.29Å; V190-F196 HydrophobicContact CB-CB 3.96Å; V190-F196 HydrophobicContact CG2-CB 4.06Å; V190-F196 PolarHBondContact N-O 2.67Å; D193-F196 HydrophobicContact CB-CD2 4.17Å; D193-F196 PolarHBondContact O-N 3.18Å; D193-F196 WeakPolarHBondContact OD2-CD2 3.49Å; E194-F196 PolarHBondContact O-N 2.98Å; F196-F232 WeakPolarHBondContact CA-O 3.11Å; F196-R233 HydrophobicContact CD1-CB 3.86Å; F196-R233 HydrophobicContact CD1-CG 3.8Å; F196-R233 HydrophobicContact CE1-CB 3.72Å; F196-R233 HydrophobicContact CE1-CG 3.42Å; F196-R233 VanDerWaalsContact CE1-CG 3.42Å; F196-R233 HydrophobicContact CE2-CG 4.33Å; F196-R233 HydrophobicContact CG-CG 4.42Å; F196-R233 HydrophobicContact CZ-CG 3.72Å
197	L	93	Very high	77.3	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.6	176.5	169.5	63.3	0	0	0	109.9	I199 F232 T272 A275 L276 L279	L197-I199 HydrophobicContact CD1-CG1 4.42Å; L197-I199 HydrophobicContact CD2-CD1 4.29Å; L197-I199 HydrophobicContact CD2-CG1 4.4Å; L197-I199 HydrophobicContact CG-CG1 4.15Å; L197-F232 HydrophobicContact CB-CB 4.45Å; L197-F232 PolarHBondContact N-O 2.93Å; L197-F232 PolarHBondContact O-N 3.46Å; L197-T272 HydrophobicContact CB-CG2 3.8Å; L197-A275 HydrophobicContact CD2-CB 4.39Å; L197-L276 HydrophobicContact CD1-CB 4.21Å; L197-L276 HydrophobicContact CD1-CD1 3.77Å; L197-L276 HydrophobicContact CD1-CG 4.43Å; L197-L279 HydrophobicContact CD1-CD1 4.25Å; L197-L279 HydrophobicContact CD2-CD1 3.91Å
198	Y	93.1	Very high	74.5	Confident	23 Å²	23	63.3 Å²	63.3	9%	0.09	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.1	165.3	76.5	-97.8	0	0	0	111.6	L139 T143 A187 G188 H189 V190 V200 H230	L139-Y198 HydrophobicContact CD1-CE2 3.86Å; T143-Y198 HydrophobicContact CG2-CD1 4.39Å; T143-Y198 HydrophobicContact CG2-CG 4.21Å; A187-Y198 VanDerWaalsContact CA-O 3.25Å; A187-Y198 WeakPolarHBondContact CA-O 3.45Å; G188-Y198 PolarHBondContact N-O 3.15Å; G188-Y198 VanDerWaalsContact N-O 3.16Å; G188-Y198 WeakPolarHBondContact O-CD1 3.19Å; G188-Y198 WeakPolarHBondContact O-CE1 3.48Å; G188-Y198 PolarHBondContact O-N 3.34Å; H189-Y198 WeakPolarHBondContact O-CE1 3.46Å; V190-Y198 HydrophobicContact CG2-CD1 4.03Å; Y198-V200 HydrophobicContact CD2-CG2 3.85Å; Y198-V200 HydrophobicContact CE2-CG2 3.94Å; Y198-H230 CarbonylContact C-O 3.57Å; Y198-H230 VanDerWaalsContact CA-O 3.29Å; Y198-H230 WeakPolarHBondContact CA-O 3.32Å
199	I	92.8	Very high	71.5	Confident	2 Å²	2	69 Å²	69	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	117.4	175.1	-50.2	-178.8	0	0	0	108.4	L167 L184 A187 L197 T201 H230 F232 L279	L167-I199 HydrophobicContact CD2-CD1 3.71Å; L167-I199 HydrophobicContact CD2-CG2 4.05Å; L184-I199 HydrophobicContact CD2-CG2 4.05Å; A187-I199 HydrophobicContact CB-CG1 4.49Å; L197-I199 HydrophobicContact CD1-CG1 4.42Å; L197-I199 HydrophobicContact CD2-CD1 4.29Å; L197-I199 HydrophobicContact CD2-CG1 4.4Å; L197-I199 HydrophobicContact CG-CG1 4.15Å; I199-T201 HydrophobicContact CG2-CG2 4.22Å; I199-H230 PolarHBondContact N-O 3.07Å; I199-H230 PolarHBondContact O-N 2.84Å; I199-F232 HydrophobicContact CB-CE2 4.4Å; I199-F232 HydrophobicContact CD1-CD2 4.16Å; I199-F232 HydrophobicContact CD1-CE2 3.7Å; I199-F232 HydrophobicContact CD1-CZ 4.44Å; I199-F232 HydrophobicContact CG1-CD2 4.26Å; I199-F232 HydrophobicContact CG1-CE2 3.99Å; I199-L279 HydrophobicContact CD1-CD1 3.61Å; I199-L279 HydrophobicContact CD1-CD2 4.41Å; I199-L279 HydrophobicContact CG1-CD1 4Å
200	V	90.6	Very high	68.7	Low	1 Å²	1	72.7 Å²	72.7	1%	0.006	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.9	177.6	-171.2	0	0	0	0	109.4	L139 Y185 S186 Y198 M227 N228 C229	L139-V200 HydrophobicContact CD1-CG2 4.29Å; L139-V200 HydrophobicContact CD2-CG2 3.69Å; Y185-V200 HydrophobicContact CD1-CB 4.37Å; Y185-V200 HydrophobicContact CD1-CG1 4.15Å; Y185-V200 HydrophobicContact CG-CG1 4.23Å; Y185-V200 PolarHBondContact N-O 3.41Å; S186-V200 PolarHBondContact O-N 2.57Å; S186-V200 WeakPolarHBondContact OG-CG2 3.47Å; Y198-V200 HydrophobicContact CD2-CG2 3.85Å; Y198-V200 HydrophobicContact CE2-CG2 3.94Å; V200-M227 HydrophobicContact CG1-CB 3.8Å; V200-M227 HydrophobicContact CG1-CE 3.92Å; V200-M227 HydrophobicContact CG1-SD 4.04Å; V200-N228 CarbonylContact C-O 3.48Å; V200-N228 WeakPolarHBondContact CA-O 3.4Å; V200-C229 HydrophobicContact CG2-CB 4.29Å
201	T	87.4	Confident	66.1	Low	3 Å²	3	78.4 Å²	78.4	2%	0.018	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.8	-179.8	71.2	0	0	0	0	111.8	Y179 C183 L184 I199 M227 N228 H230	Y179-T201 HydrophobicContact CD1-CG2 3.69Å; Y179-T201 HydrophobicContact CE1-CG2 3.8Å; Y179-T201 HydrophobicContact CG-CG2 4.36Å; C183-T201 CarbonylContact O-C 3.58Å; C183-T201 VanDerWaalsContact O-CA 3.31Å; C183-T201 WeakPolarHBondContact O-CA 3.37Å; L184-T201 HydrophobicContact CD2-CG2 3.92Å; I199-T201 HydrophobicContact CG2-CG2 4.22Å; T201-M227 CarbonylContact O-C 3.01Å; T201-M227 WeakPolarHBondContact O-CA 3.27Å; T201-M227 WeakPolarHBondContact O-CB 3.48Å; T201-N228 PolarHBondContact N-O 3.24Å; T201-N228 PolarHBondContact O-N 2.68Å; T201-H230 PolarHBondContact OG1-NE2 3.06Å
202	R	81	Confident	64	Low	78 Å²	78	84.3 Å²	84.3	29%	0.294	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.3	179.2	-64.5	-177.9	177.2	117.8	16.9	110.2	C183 L184 Y185 K204 M227 H289	C183-R202 PolarHBondContact O-N 2.99Å; L184-R202 PolarHBondContact O-NH1 3.03Å; Y185-R202 HydrophobicContact CD2-CG 4.38Å; R202-K204 PolarHBondContact O-N 2.67Å; R202-M227 HydrophobicContact CG-SD 4.11Å; R202-H289 PolarHBondContact NH1-CE1 3.4Å; R202-H289 PolarHBondContact NH1-NE2 2.73Å; R202-H289 PolarHBondContact NH2-CE1 3.14Å; R202-H289 PolarHBondContact NH2-NE2 3.03Å
203	N	67.3	Low	61.8	Low	59 Å²	59	85.5 Å²	85.5	32%	0.316	44%	0.44	S	S	.	.			trans	-68.3	126.3	165.3	-77.3	-56.7	0	0	0	109.1	T205 S226 N228	N203-T205 PolarHBondContact O-N 3.15Å; N203-T205 VanDerWaalsContact O-N 3.15Å; N203-S226 WeakPolarHBondContact CB-O 3.49Å; N203-S226 PolarHBondContact ND2-O 3.43Å; N203-N228 PolarHBondContact ND2-ND2 2.68Å; N203-N228 PolarHBondContact ND2-OD1 3.48Å; N203-N228 VanDerWaalsContact ND2-OD1 3.13Å; N203-N228 PolarHBondContact OD1-ND2 2.88Å
204	K	58.2	Low	59.5	Low	164 Å²	164	90.5 Å²	90.5	71%	0.713	47%	0.471	S	S	*	.			trans	-67.4	112.2	169.9	-71.4	-175.1	177.4	-178.5	0	108.7	R202	R202-K204 PolarHBondContact O-N 2.67Å
205	T	46.3	Very low	56.7	Low	95 Å²	95	93.3 Å²	93.3	58%	0.583	50%	0.499	S	S	*	.			trans	-59.7	137.9	166.6	45.7	0	0	0	0	109	N203 G207 Q225	N203-T205 PolarHBondContact O-N 3.15Å; N203-T205 VanDerWaalsContact O-N 3.15Å; T205-G207 VanDerWaalsContact C-N 3.35Å; T205-G207 PolarHBondContact O-N 2.85Å; T205-Q225 HydrophobicContact CG2-CG 4.12Å
206	K	35.4	Very low	53.8	Low	211 Å²	211	94.3 Å²	94.3	92%	0.917	53%	0.525	S	S	*	.			trans	-72.2	93	172.1	-77.5	-166.5	172.8	-166.4	0	108.7	N208	K206-N208 PolarHBondContact O-N 2.9Å; K206-N208 VanDerWaalsContact O-N 3.12Å
207	G	32.7	Very low	50.9	Low	59 Å²	59	100.8 Å²	100.8	61%	0.608	56%	0.56	S	S	*	*			trans	-59.2	112.3	170.2	0	0	0	0	0	109.6	T205 T209	T205-G207 VanDerWaalsContact C-N 3.35Å; T205-G207 PolarHBondContact O-N 2.85Å; G207-T209 VanDerWaalsContact C-N 3.28Å; G207-T209 PolarHBondContact O-N 3.1Å
208	N	31.4	Very low	47.9	Very low	155 Å²	155	109.1 Å²	109.1	83%	0.829	60%	0.604	S	S	*	*			trans	-80.8	72.1	-172.2	-168.4	32.2	0	0	0	111.5	K206 N210	K206-N208 PolarHBondContact O-N 2.9Å; K206-N208 VanDerWaalsContact O-N 3.12Å; N208-N210 PolarHBondContact O-N 3.49Å; N208-N210 VanDerWaalsContact O-N 3.11Å
209	T	28.5	Very low	44.8	Very low	127 Å²	127	111.6 Å²	111.6	78%	0.779	64%	0.636	S	S	*	*			trans	-84	76.1	178.7	55.6	0	0	0	0	111.4	G207	G207-T209 VanDerWaalsContact C-N 3.28Å; G207-T209 PolarHBondContact O-N 3.1Å
210	N	29.9	Very low	41.9	Very low	131 Å²	131	120.8 Å²	120.8	70%	0.701	68%	0.679	S	S	*	*			trans	-159.2	111.6	151.6	-99.1	-21.6	0	0	0	111.9	N208	N208-N210 PolarHBondContact O-N 3.49Å; N208-N210 VanDerWaalsContact O-N 3.11Å
211	T	27.7	Very low	39.1	Very low	123 Å²	123	128.5 Å²	128.5	76%	0.755	72%	0.721	S	S	*	*			trans	27.2	104.7	143.8	57.8	0	0	0	0	119.1
212	M	27.6	Very low	36.7	Very low	181 Å²	181	132.8 Å²	132.8	89%	0.892	76%	0.756	S	S	*	*				176	154.4	96.9	-85	-148.9	76.5	0	0	111.5
213	K	26.4	Very low	34.9	Very low	203 Å²	203	134.3 Å²	134.3	88%	0.883	78%	0.779	S	S	*	*			trans	-84.1	124.9	171.3	-70.2	178.6	177.2	178.4	0	110.6
214	V	32.7	Very low	34	Very low	142 Å²	142	137.2 Å²	137.2	86%	0.861	80%	0.799	S	S	*	*			trans	-142.6	133.9	148.8	-174.8	0	0	0	0	107.8
215	S	28.7	Very low	34.2	Very low	127 Å²	127	135 Å²	135	89%	0.888	79%	0.791	S	S	*	*			trans	-89.3	133.1	176.7	-57.3	0	0	0	0	110.7
216	G	28.9	Very low	35.5	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	78%	0.775	S	S	*	*			trans	-170.3	98.1	179.4	0	0	0	0	0	114.5
217	N	29.3	Very low	37.9	Very low	154 Å²	154	122.2 Å²	122.2	82%	0.824	73%	0.732	S	S	*	*			trans	-15.9	134.1	174.3	-63.4	-14.8	0	0	0	120.7
218	L	30.2	Very low	40.5	Very low	176 Å²	176	120.8 Å²	120.8	92%	0.921	71%	0.71	S	S	*	*	S	Bend	trans	47.5	114.6	143.8	-92.1	65.7	0	0	0	119.3
219	G	27.9	Very low	43.3	Very low	75 Å²	75	113.4 Å²	113.4	77%	0.773	67%	0.671	S	S	*	*			trans	150.3	18.4	151.2	0	0	0	0	0	119.6
220	E	32.1	Very low	46.2	Very low	195 Å²	195	108.1 Å²	108.1	91%	0.911	64%	0.637	S	S	*	*			trans	-105.9	140.3	-172.9	-62.5	-161	122.1	0	0	114.8	A222	E220-A222 PolarHBondContact O-N 2.89Å
221	N	31.6	Very low	49.1	Very low	163 Å²	163	101.9 Å²	101.9	87%	0.872	60%	0.604	S	S	*	*			trans	-74.4	123.4	-175.3	-62.9	-75.5	0	0	0	111.3	S223	N221-S223 PolarHBondContact O-N 3.34Å
222	A	37.4	Very low	52.2	Low	93 Å²	93	96.2 Å²	96.2	77%	0.769	57%	0.569	S	S	*	*			trans	-59.1	121.3	175.8	0	0	0	0	0	111.1	E220 V224	E220-A222 PolarHBondContact O-N 2.89Å; A222-V224 PolarHBondContact O-N 2.88Å; A222-V224 VanDerWaalsContact O-N 3.08Å
223	S	42.8	Very low	55.2	Low	111 Å²	111	88.4 Å²	88.4	78%	0.776	53%	0.529	S	S	*	.			trans	-73.9	102	178.4	45	0	0	0	0	110.1	N221 Q225	N221-S223 PolarHBondContact O-N 3.34Å; S223-Q225 PolarHBondContact O-N 3.03Å
224	V	49.5	Very low	58.3	Low	120 Å²	120	79 Å²	79	73%	0.727	49%	0.489	S	S	*	.			trans	-58.4	111.3	-178.5	-179.8	0	0	0	0	110	A222	A222-V224 PolarHBondContact O-N 2.88Å; A222-V224 VanDerWaalsContact O-N 3.08Å
225	Q	62.3	Low	61	Low	116 Å²	116	72.4 Å²	72.4	54%	0.542	45%	0.449	S	S	.	.			trans	-67.2	141.3	172.7	-62.6	-173.5	17.7	0	0	109.2	T127 T205 S223	T127-Q225 HydrophobicContact CG2-CB 4.05Å; T127-Q225 PolarHBondContact OG1-O 3.15Å; T205-Q225 HydrophobicContact CG2-CG 4.12Å; S223-Q225 PolarHBondContact O-N 3.03Å
226	S	73	Confident	63.6	Low	36 Å²	36	67 Å²	67	25%	0.252	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	153	-176.8	51.6	0	0	0	0	110.6	V125 N203	V125-S226 CarbonylContact O-C 3.58Å; V125-S226 WeakPolarHBondContact O-CA 3.33Å; N203-S226 WeakPolarHBondContact CB-O 3.49Å; N203-S226 PolarHBondContact ND2-O 3.43Å
227	M	86	Confident	66.1	Low	3 Å²	3	65.6 Å²	65.6	2%	0.015	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155.4	179.6	-58.9	-167.5	-69.6	0	0	110.4	L124 V125 P126 T127 F129 Y185 V200 T201 R202	L124-M227 CarbonylContact C-O 3.59Å; L124-M227 WeakPolarHBondContact CA-O 3.45Å; V125-M227 HydrophobicContact CB-CB 4.5Å; V125-M227 PolarHBondContact N-O 2.88Å; V125-M227 PolarHBondContact O-N 3.39Å; P126-M227 WeakPolarHBondContact O-CE 3.49Å; T127-M227 HydrophobicContact CG2-CG 3.73Å; T127-M227 HydrophobicContact CG2-SD 4.29Å; F129-M227 HydrophobicContact CE2-CE 3.84Å; F129-M227 HydrophobicContact CZ-CE 4.15Å; Y185-M227 HydrophobicContact CD1-CE 3.94Å; Y185-M227 HydrophobicContact CD1-SD 4.22Å; Y185-M227 HydrophobicContact CD2-CE 3.7Å; Y185-M227 HydrophobicContact CD2-SD 3.19Å; Y185-M227 WeakPolarHBondContact CD2-SD 3.38Å; Y185-M227 HydrophobicContact CE1-CE 3.96Å; Y185-M227 HydrophobicContact CE2-CE 3.74Å; Y185-M227 HydrophobicContact CE2-SD 3.74Å; Y185-M227 HydrophobicContact CG-CE 3.84Å; Y185-M227 HydrophobicContact CG-SD 3.5Å; Y185-M227 VanDerWaalsContact CG-SD 3.5Å; V200-M227 HydrophobicContact CG1-CB 3.8Å; V200-M227 HydrophobicContact CG1-CE 3.92Å; V200-M227 HydrophobicContact CG1-SD 4.04Å; T201-M227 CarbonylContact O-C 3.01Å; T201-M227 WeakPolarHBondContact O-CA 3.27Å; T201-M227 WeakPolarHBondContact O-CB 3.48Å; R202-M227 HydrophobicContact CG-SD 4.11Å
228	N	86.5	Confident	68.5	Low	28 Å²	28	62.8 Å²	62.8	15%	0.15	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.6	176.1	-51.6	-50.8	0	0	0	108.6	L124 V200 T201 N203 H230	L124-N228 WeakPolarHBondContact CD2-OD1 3.41Å; V200-N228 CarbonylContact C-O 3.48Å; V200-N228 WeakPolarHBondContact CA-O 3.4Å; T201-N228 PolarHBondContact N-O 3.24Å; T201-N228 PolarHBondContact O-N 2.68Å; N203-N228 PolarHBondContact ND2-ND2 2.68Å; N203-N228 PolarHBondContact ND2-OD1 3.48Å; N203-N228 VanDerWaalsContact ND2-OD1 3.13Å; N203-N228 PolarHBondContact OD1-ND2 2.88Å; N228-H230 WeakPolarHBondContact CB-NE2 3.29Å; N228-H230 PolarHBondContact O-CD2 2.76Å
229	C	89.7	Confident	71.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112	167.2	175.8	0	0	0	0	108.7	C122 V123 V125 L139 V200	C122-C229 CarbonylContact C-O 3.23Å; C122-C229 VanDerWaalsContact CA-O 3.32Å; C122-C229 WeakPolarHBondContact CA-O 3.36Å; V123-C229 HydrophobicContact CG2-CB 4.16Å; V123-C229 PolarHBondContact N-O 2.71Å; V123-C229 PolarHBondContact O-N 3.27Å; V125-C229 HydrophobicContact CG2-CB 3.44Å; V125-C229 VanDerWaalsContact CG2-CB 3.44Å; L139-C229 HydrophobicContact CD2-CB 4.42Å; V200-C229 HydrophobicContact CG2-CB 4.29Å
230	H	90.2	Very high	73.8	Confident	16 Å²	16	56 Å²	56	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.1	176.5	-62.4	-87.4	0	0	0	109	Y119 G121 Y179 Y198 I199 T201 N228 F232	Y119-H230 HydrophobicContact CE2-CB 4.13Å; Y119-H230 AromaticContact CE2-ND1 3.98Å; Y119-H230 AromaticContact CZ-ND1 3.97Å; Y119-H230 PolarHBondContact OH-ND1 2.95Å; Y119-H230 VanDerWaalsContact OH-ND1 3.09Å; G121-H230 WeakPolarHBondContact O-CA 3.4Å; Y179-H230 PolarHBondContact OH-CE1 2.81Å; Y179-H230 VanDerWaalsContact OH-CE1 3.26Å; Y179-H230 PolarHBondContact OH-NE2 2.78Å; Y198-H230 CarbonylContact C-O 3.57Å; Y198-H230 VanDerWaalsContact CA-O 3.29Å; Y198-H230 WeakPolarHBondContact CA-O 3.32Å; I199-H230 PolarHBondContact N-O 3.07Å; I199-H230 PolarHBondContact O-N 2.84Å; T201-H230 PolarHBondContact OG1-NE2 3.06Å; N228-H230 WeakPolarHBondContact CB-NE2 3.29Å; N228-H230 PolarHBondContact O-CD2 2.76Å; H230-F232 HydrophobicContact CB-CE2 3.72Å; H230-F232 HydrophobicContact CB-CZ 4.19Å
231	V	90.8	Very high	76.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.5	-178.6	-173	0	0	0	0	110.1	A120 G121 T143 V146 I147	A120-V231 HydrophobicContact CB-CB 4.14Å; A120-V231 HydrophobicContact CB-CG1 4.06Å; A120-V231 WeakPolarHBondContact CB-O 3.14Å; A120-V231 PolarHBondContact N-O 3.27Å; G121-V231 PolarHBondContact N-O 3.16Å; G121-V231 PolarHBondContact O-N 3.11Å; T143-V231 HydrophobicContact CG2-CG2 3.94Å; V146-V231 HydrophobicContact CB-CB 4.46Å; V146-V231 HydrophobicContact CB-CG2 4.17Å; V146-V231 HydrophobicContact CG1-CB 4.05Å; V146-V231 HydrophobicContact CG1-CG2 4.24Å; V146-V231 HydrophobicContact CG2-CG2 4.3Å; I147-V231 HydrophobicContact CG1-CG1 4.25Å
232	F	92	Very high	78.4	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.8	-179.1	-58	-94.7	0	0	0	109.8	F117 V118 Y119 V160 V169 F196 L197 I199 H230	F117-F232 HydrophobicContact CB-CB 4.32Å; F117-F232 HydrophobicContact CB-CD1 4.41Å; V118-F232 CarbonylContact O-C 3.57Å; V118-F232 VanDerWaalsContact O-CA 3.32Å; V118-F232 WeakPolarHBondContact O-CA 3.1Å; Y119-F232 AromaticContact CD2-CD1 3.98Å; Y119-F232 HydrophobicContact CD2-CD1 3.98Å; Y119-F232 AromaticContact CD2-CE1 3.65Å; Y119-F232 HydrophobicContact CD2-CE1 3.65Å; Y119-F232 AromaticContact CD2-CZ 3.99Å; Y119-F232 HydrophobicContact CD2-CZ 3.99Å; Y119-F232 HydrophobicContact CE2-CE1 4.29Å; Y119-F232 HydrophobicContact CE2-CZ 4.18Å; V160-F232 HydrophobicContact CG2-CD1 4.26Å; V160-F232 HydrophobicContact CG2-CE1 4.05Å; V169-F232 HydrophobicContact CG1-CE1 4Å; V169-F232 HydrophobicContact CG1-CZ 4.37Å; V169-F232 HydrophobicContact CG2-CZ 4.28Å; F196-F232 WeakPolarHBondContact CA-O 3.11Å; L197-F232 HydrophobicContact CB-CB 4.45Å; L197-F232 PolarHBondContact N-O 2.93Å; L197-F232 PolarHBondContact O-N 3.46Å; I199-F232 HydrophobicContact CB-CE2 4.4Å; I199-F232 HydrophobicContact CD1-CD2 4.16Å; I199-F232 HydrophobicContact CD1-CE2 3.7Å; I199-F232 HydrophobicContact CD1-CZ 4.44Å; I199-F232 HydrophobicContact CG1-CD2 4.26Å; I199-F232 HydrophobicContact CG1-CE2 3.99Å; H230-F232 HydrophobicContact CB-CE2 3.72Å; H230-F232 HydrophobicContact CB-CZ 4.19Å
233	R	91	Very high	80.4	Confident	17 Å²	17	46.9 Å²	46.9	6%	0.064	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.6	174.4	-166.7	-171.4	-179.7	-161.8	-10.8	110.1	F117 V118 I150 K195 F196 D510	F117-R233 WeakPolarHBondContact CB-O 3.49Å; V118-R233 HydrophobicContact CB-CB 4.33Å; V118-R233 PolarHBondContact N-O 2.82Å; V118-R233 PolarHBondContact O-N 2.89Å; I150-R233 HydrophobicContact CD1-CB 4.01Å; K195-R233 CarbonylContact O-C 3.59Å; K195-R233 VanDerWaalsContact O-CA 3.22Å; K195-R233 WeakPolarHBondContact O-CA 3.27Å; F196-R233 HydrophobicContact CD1-CB 3.86Å; F196-R233 HydrophobicContact CD1-CG 3.8Å; F196-R233 HydrophobicContact CE1-CB 3.72Å; F196-R233 HydrophobicContact CE1-CG 3.42Å; F196-R233 VanDerWaalsContact CE1-CG 3.42Å; F196-R233 HydrophobicContact CE2-CG 4.33Å; F196-R233 HydrophobicContact CG-CG 4.42Å; F196-R233 HydrophobicContact CZ-CG 3.72Å; R233-D510 IonicContact CZ-OD1 2.65Å; R233-D510 IonicContact CZ-OD2 3.55Å; R233-D510 IonicContact NH1-OD1 2.88Å; R233-D510 PolarHBondContact NH1-OD1 2.75Å; R233-D510 IonicContact NH1-OD2 2.74Å; R233-D510 IonicContact NH2-OD1 3.49Å; R233-D510 PolarHBondContact NH2-OD1 2.8Å; R233-D510 IonicContact NH2-OD2 2.6Å; R233-D510 PolarHBondContact NH2-OD2 2.85Å
234	T	91.4	Very high	82.1	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.031	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-60.8	159.7	163.3	53.3	0	0	0	0	111.3	F117 K195 P269 S270 T272	F117-T234 HydrophobicContact CD1-CG2 4.24Å; F117-T234 HydrophobicContact CE1-CG2 3.97Å; K195-T234 WeakPolarHBondContact CB-OG1 3.12Å; K195-T234 PolarHBondContact O-N 2.84Å; T234-P269 WeakPolarHBondContact CG2-O 3.41Å; T234-S270 WeakPolarHBondContact CG2-O 3.5Å; T234-S270 PolarHBondContact OG1-O 2.76Å; T234-T272 HydrophobicContact CG2-CG2 3.74Å
235	L	89.1	Confident	83.8	Confident	5 Å²	5	37 Å²	37	3%	0.026	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-72.3	146.3	-179.7	-75.1	77.7	0	0	0	110.1	V116 V118 F239 L240 I248 F268	V116-L235 HydrophobicContact CB-CD1 4.31Å; V116-L235 HydrophobicContact CG1-CD1 4.17Å; V116-L235 WeakPolarHBondContact O-CD1 3.12Å; V118-L235 HydrophobicContact CG2-CG 4.48Å; L235-F239 HydrophobicContact CB-CB 4.03Å; L235-F239 HydrophobicContact CD2-CB 3.78Å; L235-F239 HydrophobicContact CD2-CG 4.38Å; L235-L240 HydrophobicContact CB-CD2 4.15Å; L235-I248 HydrophobicContact CD2-CD1 3.62Å; L235-F268 HydrophobicContact CD1-CD1 4.41Å; L235-F268 HydrophobicContact CD2-CD1 4.1Å; L235-F268 HydrophobicContact CD2-CE1 4.4Å
236	P	83.9	Confident	84.8	Confident	12 Å²	12	34.5 Å²	34.5	8%	0.078	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-52.5	142.5	171	-26.8	34.2	0	0	0	111.9	K238 F239 L513	P236-K238 PolarHBondContact O-N 3.03Å; P236-F239 HydrophobicContact CB-CD2 4.29Å; P236-F239 HydrophobicContact CG-CD2 4.43Å; P236-F239 PolarHBondContact O-N 2.95Å; P236-L513 HydrophobicContact CB-CD2 4.48Å; P236-L513 HydrophobicContact CG-CD2 4.22Å
237	A	81.7	Confident	85.2	Confident	48 Å²	48	37.4 Å²	37.4	40%	0.397	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-48.3	-36.1	-167.7	0	0	0	0	0	115.1	F239 L240	A237-F239 PolarHBondContact O-N 3.44Å; A237-F239 VanDerWaalsContact O-N 3.08Å; A237-L240 PolarHBondContact O-N 3.02Å
238	K	79.1	Confident	85.2	Confident	95 Å²	95	38.1 Å²	38.1	41%	0.413	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-55.6	-25.1	176.1	65.7	179	-178.5	171.2	0	114.6	P236 E514	P236-K238 PolarHBondContact O-N 3.03Å; K238-E514 IonicContact NZ-OE2 3.92Å; K238-E514 PolarHBondContact NZ-OE2 2.82Å
239	F	85.5	Confident	85.1	Confident	67 Å²	67	37 Å²	37	29%	0.294	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-96.9	-10.2	177.2	-58.9	-68.1	0	0	0	114.2	L235 P236 A237 S241 H245 I248	L235-F239 HydrophobicContact CB-CB 4.03Å; L235-F239 HydrophobicContact CD2-CB 3.78Å; L235-F239 HydrophobicContact CD2-CG 4.38Å; P236-F239 HydrophobicContact CB-CD2 4.29Å; P236-F239 HydrophobicContact CG-CD2 4.43Å; P236-F239 PolarHBondContact O-N 2.95Å; A237-F239 PolarHBondContact O-N 3.44Å; A237-F239 VanDerWaalsContact O-N 3.08Å; F239-S241 VanDerWaalsContact C-N 3.33Å; F239-H245 VanDerWaalsContact C-CE1 3.42Å; F239-H245 WeakPolarHBondContact O-CB 3.19Å; F239-H245 PolarHBondContact O-CE1 3.3Å; F239-H245 PolarHBondContact O-N 3.48Å; F239-H245 PolarHBondContact O-ND1 2.9Å; F239-I248 HydrophobicContact CB-CD1 4.3Å; F239-I248 HydrophobicContact CD1-CD1 3.86Å; F239-I248 HydrophobicContact CE1-CD1 4.42Å; F239-I248 HydrophobicContact CG-CD1 4.17Å
240	L	85.2	Confident	84.8	Confident	42 Å²	42	44.2 Å²	44.2	22%	0.22	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.1	179.1	-59	179.3	0	0	0	111.5	L235 A237 H245 F268	L235-L240 HydrophobicContact CB-CD2 4.15Å; A237-L240 PolarHBondContact O-N 3.02Å; L240-H245 WeakPolarHBondContact CA-CE1 3.24Å; L240-H245 PolarHBondContact O-CE1 3.44Å; L240-H245 PolarHBondContact O-ND1 3Å; L240-H245 VanDerWaalsContact O-ND1 3.1Å; L240-H245 PolarHBondContact O-NE2 3.27Å; L240-F268 WeakPolarHBondContact CD2-O 3.4Å
241	S	79	Confident	84.4	Confident	62 Å²	62	47 Å²	47	43%	0.434	26%	0.26	S	S	.	.	S	Bend	trans	-62.2	145.3	171.4	76.5	0	0	0	0	112.3	F239 G244 H245	F239-S241 VanDerWaalsContact C-N 3.33Å; S241-G244 WeakPolarHBondContact O-CA 3.29Å; S241-G244 PolarHBondContact O-N 3.17Å; S241-G244 PolarHBondContact OG-N 3.12Å; S241-H245 VanDerWaalsContact C-CE1 3.44Å; S241-H245 PolarHBondContact O-CE1 2.89Å; S241-H245 PolarHBondContact O-N 3.34Å; S241-H245 PolarHBondContact O-ND1 3.37Å; S241-H245 VanDerWaalsContact O-ND1 3.16Å
242	H	79.9	Confident	84.1	Confident	89 Å²	89	48.3 Å²	48.3	41%	0.412	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-41.6	-179	-168.8	44.5	0	0	0	114.4	G244 H245 I246 C256	H242-G244 PolarHBondContact O-N 3.13Å; H242-H245 AromaticContact ND1-CD2 3.59Å; H242-H245 PolarHBondContact O-N 2.93Å; H242-I246 WeakPolarHBondContact O-CB 3.15Å; H242-I246 PolarHBondContact O-N 3.07Å; H242-C256 VanDerWaalsContact CE1-CB 3.44Å; H242-C256 WeakPolarHBondContact CE1-CB 3.33Å; H242-C256 VanDerWaalsContact CE1-SG 3.55Å
243	P	79.9	Confident	83.7	Confident	108 Å²	108	51.3 Å²	51.3	70%	0.701	30%	0.299	S	S	*	.	H	α-helix	trans	-61.8	-28.4	170.5	-23.3	35.4	0	0	0	113.9
244	G	77.5	Confident	83.3	Confident	20 Å²	20	51.8 Å²	51.8	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-72.6	-47.4	177.1	0	0	0	0	0	113.2	S241 H242	S241-G244 WeakPolarHBondContact O-CA 3.29Å; S241-G244 PolarHBondContact O-N 3.17Å; S241-G244 PolarHBondContact OG-N 3.12Å; H242-G244 PolarHBondContact O-N 3.13Å
245	H	86.7	Confident	82.7	Confident	3 Å²	3	58.7 Å²	58.7	1%	0.014	34%	0.337	C	S	.	.	H	α-helix	trans	-89.3	-10	-177.8	57.8	-116.1	0	0	0	116	F239 L240 S241 H242 T247 I248 A249 C256 C265 F268	F239-H245 VanDerWaalsContact C-CE1 3.42Å; F239-H245 WeakPolarHBondContact O-CB 3.19Å; F239-H245 PolarHBondContact O-CE1 3.3Å; F239-H245 PolarHBondContact O-N 3.48Å; F239-H245 PolarHBondContact O-ND1 2.9Å; L240-H245 WeakPolarHBondContact CA-CE1 3.24Å; L240-H245 PolarHBondContact O-CE1 3.44Å; L240-H245 PolarHBondContact O-ND1 3Å; L240-H245 VanDerWaalsContact O-ND1 3.1Å; L240-H245 PolarHBondContact O-NE2 3.27Å; S241-H245 VanDerWaalsContact C-CE1 3.44Å; S241-H245 PolarHBondContact O-CE1 2.89Å; S241-H245 PolarHBondContact O-N 3.34Å; S241-H245 PolarHBondContact O-ND1 3.37Å; S241-H245 VanDerWaalsContact O-ND1 3.16Å; H242-H245 AromaticContact ND1-CD2 3.59Å; H242-H245 PolarHBondContact O-N 2.93Å; H245-T247 PolarHBondContact O-N 3.42Å; H245-I248 CarbonylContact O-C 3.49Å; H245-I248 WeakPolarHBondContact O-CA 3.45Å; H245-I248 WeakPolarHBondContact O-CB 3.46Å; H245-I248 PolarHBondContact O-N 3.48Å; H245-A249 PolarHBondContact O-N 2.77Å; H245-C256 PolarHBondContact CD2-SG 3.03Å; H245-C265 WeakPolarHBondContact NE2-CB 3.41Å; H245-F268 HydrophobicContact CB-CB 4.47Å; H245-F268 HydrophobicContact CB-CD1 3.51Å; H245-F268 HydrophobicContact CB-CD2 3.88Å; H245-F268 HydrophobicContact CB-CE1 3.56Å; H245-F268 HydrophobicContact CB-CE2 3.95Å; H245-F268 HydrophobicContact CB-CG 3.67Å; H245-F268 HydrophobicContact CB-CZ 3.8Å; H245-F268 AromaticContact CD2-CD2 3.42Å; H245-F268 VanDerWaalsContact CD2-CD2 3.42Å; H245-F268 WeakPolarHBondContact CD2-CD2 3.25Å; H245-F268 AromaticContact CD2-CE2 3.58Å; H245-F268 VanDerWaalsContact CE1-CB 3.49Å; H245-F268 WeakPolarHBondContact CE1-CB 3.4Å; H245-F268 AromaticContact CE1-CG 3.77Å; H245-F268 AromaticContact CG-CD1 3.94Å; H245-F268 AromaticContact CG-CD2 3.46Å; H245-F268 VanDerWaalsContact CG-CD2 3.46Å; H245-F268 AromaticContact CG-CE2 3.83Å; H245-F268 AromaticContact CG-CG 3.53Å; H245-F268 AromaticContact ND1-CD2 3.72Å; H245-F268 AromaticContact ND1-CG 3.58Å
246	I	82.9	Confident	82.3	Confident	64 Å²	64	59.8 Å²	59.8	33%	0.328	35%	0.345	S	S	.	.	H	α-helix	trans	-54.3	-32.9	-174.7	-168	168.1	0	0	0	114.1	H242 K250	H242-I246 WeakPolarHBondContact O-CB 3.15Å; H242-I246 PolarHBondContact O-N 3.07Å; I246-K250 WeakPolarHBondContact O-CD 3.32Å; I246-K250 VanDerWaalsContact O-CG 3.29Å; I246-K250 WeakPolarHBondContact O-CG 3.24Å; I246-K250 PolarHBondContact O-N 3.34Å
247	T	82.1	Confident	81.8	Confident	97 Å²	97	62.4 Å²	62.4	60%	0.595	36%	0.364	S	S	*	.	H	α-helix	trans	-69	-42.6	173.4	-55.4	0	0	0	0	111.8	H245 K250 T251	H245-T247 PolarHBondContact O-N 3.42Å; T247-K250 PolarHBondContact O-N 3.39Å; T247-T251 PolarHBondContact O-N 3.11Å; T247-T251 PolarHBondContact O-OG1 3.09Å
248	I	85.6	Confident	81.3	Confident	19 Å²	19	67.1 Å²	67.1	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-68	-40.1	179.9	-52.1	171.4	0	0	0	110.4	V116 I157 L235 F239 H245 T251 F252 F268	V116-I248 HydrophobicContact CG1-CG2 4.04Å; I157-I248 HydrophobicContact CD1-CD1 4.05Å; I157-I248 HydrophobicContact CD1-CG1 4.46Å; I157-I248 HydrophobicContact CG2-CG2 4Å; L235-I248 HydrophobicContact CD2-CD1 3.62Å; F239-I248 HydrophobicContact CB-CD1 4.3Å; F239-I248 HydrophobicContact CD1-CD1 3.86Å; F239-I248 HydrophobicContact CE1-CD1 4.42Å; F239-I248 HydrophobicContact CG-CD1 4.17Å; H245-I248 CarbonylContact O-C 3.49Å; H245-I248 WeakPolarHBondContact O-CA 3.45Å; H245-I248 WeakPolarHBondContact O-CB 3.46Å; H245-I248 PolarHBondContact O-N 3.48Å; I248-T251 WeakPolarHBondContact O-CB 3.41Å; I248-T251 PolarHBondContact O-N 3.43Å; I248-F252 HydrophobicContact CG2-CD2 3.94Å; I248-F252 HydrophobicContact CG2-CE2 3.79Å; I248-F252 WeakPolarHBondContact O-CD2 3.47Å; I248-F252 PolarHBondContact O-N 2.76Å; I248-F252 VanDerWaalsContact O-N 3.16Å; I248-F268 HydrophobicContact CB-CE1 4Å; I248-F268 HydrophobicContact CB-CZ 4.26Å; I248-F268 HydrophobicContact CG2-CE1 3.79Å; I248-F268 HydrophobicContact CG2-CZ 4.23Å
249	A	84.9	Confident	80.6	Confident	3 Å²	3	65 Å²	65	3%	0.025	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-48.8	175.8	0	0	0	0	0	111.7	H245 T251 F252 G253 I254 C256 F268	H245-A249 PolarHBondContact O-N 2.77Å; A249-T251 VanDerWaalsContact C-N 3.33Å; A249-T251 PolarHBondContact O-N 2.71Å; A249-F252 PolarHBondContact O-N 2.92Å; A249-G253 PolarHBondContact O-N 3.38Å; A249-I254 PolarHBondContact O-N 3Å; A249-C256 WeakPolarHBondContact CB-SG 3.41Å; A249-F268 HydrophobicContact CB-CE2 3.84Å; A249-F268 HydrophobicContact CB-CZ 3.88Å
250	K	83.2	Confident	79.2	Confident	153 Å²	153	72.4 Å²	72.4	67%	0.665	39%	0.392	S	S	*	.	H	α-helix	trans	-56.9	-44.7	173.7	-73.7	169.6	-179.9	175.8	0	112	I246 T247 F252 G253	I246-K250 WeakPolarHBondContact O-CD 3.32Å; I246-K250 VanDerWaalsContact O-CG 3.29Å; I246-K250 WeakPolarHBondContact O-CG 3.24Å; I246-K250 PolarHBondContact O-N 3.34Å; T247-K250 PolarHBondContact O-N 3.39Å; K250-F252 VanDerWaalsContact C-N 3.29Å; K250-F252 PolarHBondContact O-N 2.95Å; K250-G253 PolarHBondContact O-N 3.23Å
251	T	81.7	Confident	77.6	Confident	73 Å²	73	75.5 Å²	75.5	45%	0.448	41%	0.408	S	S	.	.	H	α-helix	trans	-57.9	-35.5	177.9	-76.5	0	0	0	0	113.7	H172 T247 I248 A249	H172-T251 WeakPolarHBondContact CD2-CG2 3.5Å; H172-T251 VanDerWaalsContact NE2-CG2 3.27Å; H172-T251 WeakPolarHBondContact NE2-CG2 3.26Å; T247-T251 PolarHBondContact O-N 3.11Å; T247-T251 PolarHBondContact O-OG1 3.09Å; I248-T251 WeakPolarHBondContact O-CB 3.41Å; I248-T251 PolarHBondContact O-N 3.43Å; A249-T251 VanDerWaalsContact C-N 3.33Å; A249-T251 PolarHBondContact O-N 2.71Å
252	F	84.3	Confident	76.8	Confident	28 Å²	28	77.2 Å²	77.2	12%	0.123	42%	0.415	C	S	.	.	H	α-helix	trans	-93.9	0.9	175.8	-70.3	-67.6	0	0	0	114.2	V116 I157 L159 L170 I248 A249 K250 I254	V116-F252 HydrophobicContact CG1-CD2 4.26Å; V116-F252 HydrophobicContact CG1-CE2 3.83Å; V116-F252 HydrophobicContact CG2-CD2 4.2Å; I157-F252 HydrophobicContact CG2-CE2 3.84Å; I157-F252 HydrophobicContact CG2-CZ 4.21Å; L159-F252 HydrophobicContact CB-CD1 3.7Å; L159-F252 HydrophobicContact CB-CE1 3.93Å; L159-F252 HydrophobicContact CB-CG 4.07Å; L159-F252 HydrophobicContact CB-CZ 4.47Å; L159-F252 HydrophobicContact CD2-CB 4.39Å; L170-F252 HydrophobicContact CD2-CD1 4.12Å; L170-F252 HydrophobicContact CG-CD1 4.43Å; L170-F252 HydrophobicContact CG-CE1 4.39Å; I248-F252 HydrophobicContact CG2-CD2 3.94Å; I248-F252 HydrophobicContact CG2-CE2 3.79Å; I248-F252 WeakPolarHBondContact O-CD2 3.47Å; I248-F252 PolarHBondContact O-N 2.76Å; I248-F252 VanDerWaalsContact O-N 3.16Å; A249-F252 PolarHBondContact O-N 2.92Å; K250-F252 VanDerWaalsContact C-N 3.29Å; K250-F252 PolarHBondContact O-N 2.95Å; F252-I254 VanDerWaalsContact C-N 3.28Å; F252-I254 HydrophobicContact CB-CD1 3.58Å; F252-I254 HydrophobicContact CB-CG1 3.74Å; F252-I254 HydrophobicContact CG-CD1 4.36Å; F252-I254 PolarHBondContact O-N 2.67Å
253	G	82.9	Confident	76.2	Confident	68 Å²	68	74.7 Å²	74.7	70%	0.701	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	22.6	-175	0	0	0	0	0	114.3	A249 K250	A249-G253 PolarHBondContact O-N 3.38Å; K250-G253 PolarHBondContact O-N 3.23Å
254	I	83.8	Confident	75.8	Confident	26 Å²	26	72.9 Å²	72.9	13%	0.133	40%	0.396	C	S	.	.			trans	-91.4	130.5	-176.4	-56.7	168.7	0	0	0	109.8	V116 L159 A249 F252 N267	V116-I254 HydrophobicContact CG2-CD1 3.65Å; L159-I254 HydrophobicContact CD1-CD1 3.57Å; L159-I254 HydrophobicContact CD2-CD1 4.06Å; L159-I254 HydrophobicContact CD2-CG1 4.38Å; L159-I254 HydrophobicContact CG-CD1 4.33Å; A249-I254 PolarHBondContact O-N 3Å; F252-I254 VanDerWaalsContact C-N 3.28Å; F252-I254 HydrophobicContact CB-CD1 3.58Å; F252-I254 HydrophobicContact CB-CG1 3.74Å; F252-I254 HydrophobicContact CG-CD1 4.36Å; F252-I254 PolarHBondContact O-N 2.67Å; I254-N267 HydrophobicContact CG2-CB 4.03Å
255	I	78.9	Confident	76	Confident	150 Å²	150	72.1 Å²	72.1	77%	0.769	39%	0.387	S	S	*	.			trans	-82.6	121.1	163.2	-58.1	175.6	0	0	0	107.3	S257 N267	I255-S257 PolarHBondContact O-N 2.93Å; I255-N267 PolarHBondContact O-OD1 3.05Å
256	C	79	Confident	75.9	Confident	28 Å²	28	75.1 Å²	75.1	19%	0.189	41%	0.408	C	S	.	.			trans	-66	111.9	179.7	-66.4	0	0	0	0	111.6	H242 H245 A249 Y258	H242-C256 VanDerWaalsContact CE1-CB 3.44Å; H242-C256 WeakPolarHBondContact CE1-CB 3.33Å; H242-C256 VanDerWaalsContact CE1-SG 3.55Å; H245-C256 PolarHBondContact CD2-SG 3.03Å; A249-C256 WeakPolarHBondContact CB-SG 3.41Å; C256-Y258 PolarHBondContact O-N 3.38Å
257	S	74.3	Confident	76.3	Confident	68 Å²	68	72.8 Å²	72.8	48%	0.476	40%	0.396	S	S	.	.			trans	-85	107	168.6	-73.3	0	0	0	0	109.8	I255 C265 C266 N267	I255-S257 PolarHBondContact O-N 2.93Å; S257-C265 WeakPolarHBondContact O-CA 3.38Å; S257-C265 PolarHBondContact O-SG 2.91Å; S257-C266 VanDerWaalsContact CB-SG 3.53Å; S257-C266 PolarHBondContact O-N 3.08Å; S257-N267 PolarHBondContact N-OD1 3.44Å
258	Y	71.2	Confident	76.7	Confident	147 Å²	147	68.2 Å²	68.2	58%	0.576	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-84.2	122	173.2	179.5	-92.8	0	0	0	110	C256 R260 G263	C256-Y258 PolarHBondContact O-N 3.38Å; Y258-R260 HydrophobicContact CD1-CG 4.36Å; Y258-R260 HydrophobicContact CE1-CG 4.42Å; Y258-G263 VanDerWaalsContact CE2-O 3.23Å; Y258-G263 WeakPolarHBondContact CE2-O 3.22Å; Y258-G263 WeakPolarHBondContact OH-CA 3.42Å
259	D	64.7	Low	76.9	Confident	50 Å²	50	67.9 Å²	67.9	27%	0.267	37%	0.367	S	S	.	.			trans	-84.1	120.6	172.7	174.4	27.9	0	0	0	110.1	L261 T262 G263 E264	D259-L261 PolarHBondContact O-N 3.41Å; D259-L261 VanDerWaalsContact OD1-CB 3.32Å; D259-L261 WeakPolarHBondContact OD1-CB 3.32Å; D259-L261 WeakPolarHBondContact OD1-CG 3.31Å; D259-L261 PolarHBondContact OD1-N 3.27Å; D259-T262 VanDerWaalsContact OD2-CB 3.32Å; D259-T262 WeakPolarHBondContact OD2-CB 3.41Å; D259-T262 VanDerWaalsContact OD2-CG2 3.31Å; D259-T262 WeakPolarHBondContact OD2-CG2 3.31Å; D259-T262 PolarHBondContact OD2-N 3.28Å; D259-T262 PolarHBondContact OD2-OG1 3.35Å; D259-G263 VanDerWaalsContact O-CA 3.3Å; D259-G263 WeakPolarHBondContact O-CA 3.35Å; D259-G263 PolarHBondContact O-N 3.28Å; D259-E264 PolarHBondContact N-O 2.82Å
260	R	56.8	Low	77	Confident	223 Å²	223	69.9 Å²	69.9	84%	0.842	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-17	177.8	-63.1	-176.1	-179.3	-176.1	0.9	113	Y258	Y258-R260 HydrophobicContact CD1-CG 4.36Å; Y258-R260 HydrophobicContact CE1-CG 4.42Å
261	L	50.6	Low	77.3	Confident	107 Å²	107	63.8 Å²	63.8	56%	0.56	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-46.6	-172.1	-50.6	-172.6	0	0	0	111.5	D259 Y308	D259-L261 PolarHBondContact O-N 3.41Å; D259-L261 VanDerWaalsContact OD1-CB 3.32Å; D259-L261 WeakPolarHBondContact OD1-CB 3.32Å; D259-L261 WeakPolarHBondContact OD1-CG 3.31Å; D259-L261 PolarHBondContact OD1-N 3.27Å; L261-Y308 HydrophobicContact CB-CE2 3.69Å; L261-Y308 HydrophobicContact CD1-CE1 4.08Å; L261-Y308 HydrophobicContact CD1-CE2 4.1Å; L261-Y308 WeakPolarHBondContact CD2-OH 3.4Å; L261-Y308 HydrophobicContact CG-CE2 4.4Å
262	T	62.3	Low	77.8	Confident	97 Å²	97	60.3 Å²	60.3	60%	0.595	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-23.8	172.8	55.9	0	0	0	0	114	D259 E264	D259-T262 VanDerWaalsContact OD2-CB 3.32Å; D259-T262 WeakPolarHBondContact OD2-CB 3.41Å; D259-T262 VanDerWaalsContact OD2-CG2 3.31Å; D259-T262 WeakPolarHBondContact OD2-CG2 3.31Å; D259-T262 PolarHBondContact OD2-N 3.28Å; D259-T262 PolarHBondContact OD2-OG1 3.35Å; T262-E264 VanDerWaalsContact C-N 3.26Å; T262-E264 PolarHBondContact OG1-N 3.38Å
263	G	66.6	Low	77.9	Confident	36 Å²	36	61.5 Å²	61.5	37%	0.371	35%	0.346	S	S	.	.	S	Bend	trans	77.9	6.4	-171	0	0	0	0	0	114.4	Y258 D259	Y258-G263 VanDerWaalsContact CE2-O 3.23Å; Y258-G263 WeakPolarHBondContact CE2-O 3.22Å; Y258-G263 WeakPolarHBondContact OH-CA 3.42Å; D259-G263 VanDerWaalsContact O-CA 3.3Å; D259-G263 WeakPolarHBondContact O-CA 3.35Å; D259-G263 PolarHBondContact O-N 3.28Å
264	E	72.2	Confident	78	Confident	71 Å²	71	61.3 Å²	61.3	33%	0.332	33%	0.333	S	S	.	.	S	Bend	trans	-99.5	165	177.5	-62.7	-161.8	178.7	0	0	112.4	D259 T262 S270	D259-E264 PolarHBondContact N-O 2.82Å; T262-E264 VanDerWaalsContact C-N 3.26Å; T262-E264 PolarHBondContact OG1-N 3.38Å; E264-S270 VanDerWaalsContact CD-OG 3.25Å; E264-S270 WeakPolarHBondContact OE1-CB 3.48Å; E264-S270 PolarHBondContact OE1-OG 3.1Å; E264-S270 PolarHBondContact OE2-N 2.95Å; E264-S270 PolarHBondContact OE2-OG 3.36Å
265	C	82.5	Confident	78.3	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.02	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-91.2	121.8	164.2	-178	0	0	0	0	109	H245 S257 N267 F268	H245-C265 WeakPolarHBondContact NE2-CB 3.41Å; S257-C265 WeakPolarHBondContact O-CA 3.38Å; S257-C265 PolarHBondContact O-SG 2.91Å; C265-N267 PolarHBondContact O-N 2.77Å; C265-F268 HydrophobicContact CB-CB 4.43Å; C265-F268 HydrophobicContact CB-CD2 4.48Å; C265-F268 CarbonylContact O-C 3.43Å; C265-F268 VanDerWaalsContact O-C 3.23Å; C265-F268 PolarHBondContact O-N 2.63Å
266	C	84	Confident	78.9	Confident	67 Å²	67	53.6 Å²	53.6	45%	0.453	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.4	-176.1	67.9	0	0	0	0	113.7	S257	S257-C266 VanDerWaalsContact CB-SG 3.53Å; S257-C266 PolarHBondContact O-N 3.08Å
267	N	90.4	Very high	79.2	Confident	14 Å²	14	55.5 Å²	55.5	8%	0.075	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.2	172	-50.1	114.6	0	0	0	113.6	T114 V116 I254 I255 S257 C265	T114-N267 WeakPolarHBondContact O-CA 3.5Å; T114-N267 PolarHBondContact O-ND2 2.82Å; V116-N267 PolarHBondContact N-O 3.35Å; I254-N267 HydrophobicContact CG2-CB 4.03Å; I255-N267 PolarHBondContact O-OD1 3.05Å; S257-N267 PolarHBondContact N-OD1 3.44Å; C265-N267 PolarHBondContact O-N 2.77Å
268	F	90.9	Very high	79.8	Confident	1 Å²	1	53.7 Å²	53.7	0%	0.004	29%	0.291	C	S	.	.	S	Bend	trans	-133.6	61.4	-179	-64.4	-86.3	0	0	0	110.5	V116 L235 L240 H245 I248 A249 C265	V116-F268 HydrophobicContact CB-CD1 3.84Å; V116-F268 HydrophobicContact CB-CE1 3.55Å; V116-F268 HydrophobicContact CB-CZ 4.2Å; V116-F268 HydrophobicContact CG1-CD1 4.43Å; V116-F268 HydrophobicContact CG1-CE1 3.89Å; V116-F268 HydrophobicContact CG2-CD1 4.16Å; V116-F268 HydrophobicContact CG2-CE1 3.51Å; V116-F268 HydrophobicContact CG2-CE2 4.35Å; V116-F268 HydrophobicContact CG2-CZ 3.62Å; L235-F268 HydrophobicContact CD1-CD1 4.41Å; L235-F268 HydrophobicContact CD2-CD1 4.1Å; L235-F268 HydrophobicContact CD2-CE1 4.4Å; L240-F268 WeakPolarHBondContact CD2-O 3.4Å; H245-F268 HydrophobicContact CB-CB 4.47Å; H245-F268 HydrophobicContact CB-CD1 3.51Å; H245-F268 HydrophobicContact CB-CD2 3.88Å; H245-F268 HydrophobicContact CB-CE1 3.56Å; H245-F268 HydrophobicContact CB-CE2 3.95Å; H245-F268 HydrophobicContact CB-CG 3.67Å; H245-F268 HydrophobicContact CB-CZ 3.8Å; H245-F268 AromaticContact CD2-CD2 3.42Å; H245-F268 VanDerWaalsContact CD2-CD2 3.42Å; H245-F268 WeakPolarHBondContact CD2-CD2 3.25Å; H245-F268 AromaticContact CD2-CE2 3.58Å; H245-F268 VanDerWaalsContact CE1-CB 3.49Å; H245-F268 WeakPolarHBondContact CE1-CB 3.4Å; H245-F268 AromaticContact CE1-CG 3.77Å; H245-F268 AromaticContact CG-CD1 3.94Å; H245-F268 AromaticContact CG-CD2 3.46Å; H245-F268 VanDerWaalsContact CG-CD2 3.46Å; H245-F268 AromaticContact CG-CE2 3.83Å; H245-F268 AromaticContact CG-CG 3.53Å; H245-F268 AromaticContact ND1-CD2 3.72Å; H245-F268 AromaticContact ND1-CG 3.58Å; I248-F268 HydrophobicContact CB-CE1 4Å; I248-F268 HydrophobicContact CB-CZ 4.26Å; I248-F268 HydrophobicContact CG2-CE1 3.79Å; I248-F268 HydrophobicContact CG2-CZ 4.23Å; A249-F268 HydrophobicContact CB-CE2 3.84Å; A249-F268 HydrophobicContact CB-CZ 3.88Å; C265-F268 HydrophobicContact CB-CB 4.43Å; C265-F268 HydrophobicContact CB-CD2 4.48Å; C265-F268 CarbonylContact O-C 3.43Å; C265-F268 VanDerWaalsContact O-C 3.23Å; C265-F268 PolarHBondContact O-N 2.63Å
269	P	89.7	Confident	80.7	Confident	12 Å²	12	46.7 Å²	46.7	8%	0.078	26%	0.264	C	S	.	.			trans	-75.1	149.8	-169.7	33.7	-38.1	0	0	0	112.5	F117 T234 S271	F117-P269 HydrophobicContact CE1-CG 3.98Å; F117-P269 HydrophobicContact CZ-CG 4.24Å; T234-P269 WeakPolarHBondContact CG2-O 3.41Å; P269-S271 VanDerWaalsContact C-N 3.3Å; P269-S271 WeakPolarHBondContact CB-O 3.43Å
270	S	87.1	Confident	81.7	Confident	46 Å²	46	47.9 Å²	47.9	32%	0.322	27%	0.267	S	S	.	.	S	Bend	trans	-71.9	-23.6	173	65.7	0	0	0	0	113.7	T234 E264	T234-S270 WeakPolarHBondContact CG2-O 3.5Å; T234-S270 PolarHBondContact OG1-O 2.76Å; E264-S270 VanDerWaalsContact CD-OG 3.25Å; E264-S270 WeakPolarHBondContact OE1-CB 3.48Å; E264-S270 PolarHBondContact OE1-OG 3.1Å; E264-S270 PolarHBondContact OE2-N 2.95Å; E264-S270 PolarHBondContact OE2-OG 3.36Å
271	S	89.3	Confident	83	Confident	24 Å²	24	39.3 Å²	39.3	17%	0.168	24%	0.24	C	C	.	.			trans	-124.1	148.6	-179.3	163.6	0	0	0	0	112.2	E194 P269 T273	E194-S271 WeakPolarHBondContact CB-OG 3.45Å; E194-S271 WeakPolarHBondContact OE2-CB 3.29Å; E194-S271 PolarHBondContact OE2-OG 3.17Å; P269-S271 VanDerWaalsContact C-N 3.3Å; P269-S271 WeakPolarHBondContact CB-O 3.43Å; S271-T273 VanDerWaalsContact C-N 3.34Å; S271-T273 WeakPolarHBondContact OG-CB 3.41Å; S271-T273 PolarHBondContact OG-N 3.47Å; S271-T273 VanDerWaalsContact OG-N 3.08Å; S271-T273 PolarHBondContact OG-OG1 2.81Å; S271-T273 VanDerWaalsContact OG-OG1 3.11Å
272	T	91.8	Very high	84.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-83.3	-6.4	174.6	64.5	0	0	0	0	114	F117 H189 E194 L197 T234 C274 A275 L276	F117-T272 HydrophobicContact CD1-CG2 4.31Å; F117-T272 HydrophobicContact CE1-CG2 3.77Å; F117-T272 HydrophobicContact CZ-CG2 4.19Å; H189-T272 PolarHBondContact CD2-OG1 2.91Å; H189-T272 PolarHBondContact NE2-OG1 2.84Å; E194-T272 WeakPolarHBondContact O-CB 3.43Å; E194-T272 WeakPolarHBondContact O-CG2 3.43Å; E194-T272 PolarHBondContact O-N 2.87Å; E194-T272 PolarHBondContact O-OG1 3.42Å; L197-T272 HydrophobicContact CB-CG2 3.8Å; T234-T272 HydrophobicContact CG2-CG2 3.74Å; T272-C274 VanDerWaalsContact C-N 3.28Å; T272-C274 PolarHBondContact O-N 3.07Å; T272-C274 VanDerWaalsContact O-N 3.13Å; T272-A275 PolarHBondContact O-N 3.31Å; T272-L276 PolarHBondContact O-N 2.98Å
273	T	87.8	Confident	85.5	Confident	54 Å²	54	31.9 Å²	31.9	33%	0.331	20%	0.197	S	C	.	.	H	α-helix	trans	-51.1	-40	-175.6	-70.9	0	0	0	0	113.8	H189 E194 S271 L276 S277	H189-T273 PolarHBondContact CE1-OG1 2.88Å; E194-T273 PolarHBondContact OE2-OG1 3.3Å; S271-T273 VanDerWaalsContact C-N 3.34Å; S271-T273 WeakPolarHBondContact OG-CB 3.41Å; S271-T273 PolarHBondContact OG-N 3.47Å; S271-T273 VanDerWaalsContact OG-N 3.08Å; S271-T273 PolarHBondContact OG-OG1 2.81Å; S271-T273 VanDerWaalsContact OG-OG1 3.11Å; T273-L276 PolarHBondContact O-N 2.86Å; T273-S277 WeakPolarHBondContact O-CB 3.33Å; T273-S277 PolarHBondContact O-N 2.92Å
274	C	85.1	Confident	85.7	Confident	63 Å²	63	36.2 Å²	36.2	43%	0.426	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-45.7	177.8	-174.8	0	0	0	0	112.2	T272 H278	T272-C274 VanDerWaalsContact C-N 3.28Å; T272-C274 PolarHBondContact O-N 3.07Å; T272-C274 VanDerWaalsContact O-N 3.13Å; C274-H278 PolarHBondContact O-N 3.22Å; C274-H278 PolarHBondContact O-ND1 3.2Å
275	A	90.2	Very high	84.9	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-68.6	-38.9	177.1	0	0	0	0	0	111.5	F117 I162 L197 T272 H278 L279	F117-A275 HydrophobicContact CE2-CB 3.84Å; F117-A275 HydrophobicContact CZ-CB 3.87Å; I162-A275 HydrophobicContact CD1-CB 4.14Å; I162-A275 WeakPolarHBondContact CD1-O 3.5Å; L197-A275 HydrophobicContact CD2-CB 4.39Å; T272-A275 PolarHBondContact O-N 3.31Å; A275-H278 PolarHBondContact O-N 3.14Å; A275-L279 WeakPolarHBondContact O-CG 3.33Å; A275-L279 PolarHBondContact O-N 3.01Å
276	L	91	Very high	83	Confident	14 Å²	14	41.9 Å²	41.9	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-41.2	177.5	-178.3	57.2	0	0	0	112.4	A187 H189 L197 T272 T273 H278 L279 H280	A187-L276 HydrophobicContact CB-CD1 3.88Å; H189-L276 WeakPolarHBondContact NE2-CD2 3.41Å; L197-L276 HydrophobicContact CD1-CB 4.21Å; L197-L276 HydrophobicContact CD1-CD1 3.77Å; L197-L276 HydrophobicContact CD1-CG 4.43Å; T272-L276 PolarHBondContact O-N 2.98Å; T273-L276 PolarHBondContact O-N 2.86Å; L276-H278 VanDerWaalsContact C-N 3.32Å; L276-H278 PolarHBondContact O-N 2.82Å; L276-L279 PolarHBondContact O-N 3.31Å; L276-L279 VanDerWaalsContact O-N 3.15Å; L276-H280 WeakPolarHBondContact CD1-NE2 3.27Å; L276-H280 PolarHBondContact O-CD2 2.78Å; L276-H280 VanDerWaalsContact O-CD2 3.27Å; L276-H280 PolarHBondContact O-N 2.96Å
277	S	85.4	Confident	81	Confident	67 Å²	67	42 Å²	42	47%	0.469	26%	0.259	S	S	.	.	H	α-helix	trans	-58.8	-41.7	175.5	-179.2	0	0	0	0	112.5	T273 H280 T281	T273-S277 WeakPolarHBondContact O-CB 3.33Å; T273-S277 PolarHBondContact O-N 2.92Å; S277-H280 PolarHBondContact O-N 2.93Å; S277-T281 PolarHBondContact O-N 2.83Å; S277-T281 PolarHBondContact O-OG1 2.66Å
278	H	85.9	Confident	78.6	Confident	31 Å²	31	44.6 Å²	44.6	14%	0.144	27%	0.272	C	S	.	.	H	α-helix	trans	-71.2	-33.6	175.7	-69.6	82	0	0	0	112.4	S111 T113 I162 C274 A275 L276 T281 M282	S111-H278 PolarHBondContact OG-CD2 3.36Å; S111-H278 PolarHBondContact OG-NE2 3.12Å; T113-H278 PolarHBondContact OG1-CD2 3.07Å; T113-H278 PolarHBondContact OG1-CE1 3.25Å; T113-H278 PolarHBondContact OG1-ND1 3.32Å; T113-H278 VanDerWaalsContact OG1-ND1 3.1Å; T113-H278 PolarHBondContact OG1-NE2 2.78Å; T113-H278 VanDerWaalsContact OG1-NE2 3.17Å; I162-H278 HydrophobicContact CB-CB 4.46Å; I162-H278 HydrophobicContact CD1-CB 4.15Å; I162-H278 HydrophobicContact CG2-CB 3.8Å; C274-H278 PolarHBondContact O-N 3.22Å; C274-H278 PolarHBondContact O-ND1 3.2Å; A275-H278 PolarHBondContact O-N 3.14Å; L276-H278 VanDerWaalsContact C-N 3.32Å; L276-H278 PolarHBondContact O-N 2.82Å; H278-T281 WeakPolarHBondContact O-CB 3.32Å; H278-T281 PolarHBondContact O-N 2.86Å; H278-M282 PolarHBondContact O-N 3.06Å; H278-M282 VanDerWaalsContact O-N 3.11Å
279	L	89.7	Confident	75.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-41.1	172.6	-73.2	167.4	0	0	0	112.7	I162 L167 L184 A187 L197 I199 A275 L276 T281 M282 L283	I162-L279 HydrophobicContact CD1-CD1 4.48Å; I162-L279 HydrophobicContact CD1-CD2 4.18Å; I162-L279 HydrophobicContact CD1-CG 3.86Å; I162-L279 HydrophobicContact CG1-CD2 4.4Å; L167-L279 HydrophobicContact CB-CD2 4.45Å; L167-L279 HydrophobicContact CD1-CD2 4.32Å; L167-L279 HydrophobicContact CD2-CD2 4.13Å; L184-L279 HydrophobicContact CD1-CD2 4.18Å; A187-L279 HydrophobicContact CB-CB 4.24Å; A187-L279 HydrophobicContact CB-CD1 4.22Å; L197-L279 HydrophobicContact CD1-CD1 4.25Å; L197-L279 HydrophobicContact CD2-CD1 3.91Å; I199-L279 HydrophobicContact CD1-CD1 3.61Å; I199-L279 HydrophobicContact CD1-CD2 4.41Å; I199-L279 HydrophobicContact CG1-CD1 4Å; A275-L279 WeakPolarHBondContact O-CG 3.33Å; A275-L279 PolarHBondContact O-N 3.01Å; L276-L279 PolarHBondContact O-N 3.31Å; L276-L279 VanDerWaalsContact O-N 3.15Å; L279-T281 VanDerWaalsContact C-N 3.32Å; L279-T281 PolarHBondContact O-N 2.96Å; L279-M282 HydrophobicContact CD2-SD 4.37Å; L279-M282 WeakPolarHBondContact O-CB 3.36Å; L279-M282 PolarHBondContact O-N 3.5Å; L279-M282 VanDerWaalsContact O-N 3.16Å; L279-L283 WeakPolarHBondContact O-CG 3.4Å; L279-L283 PolarHBondContact O-N 2.9Å
280	H	86.3	Confident	72.9	Confident	74 Å²	74	53.8 Å²	53.8	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-42.4	171.4	-74.6	-60.1	0	0	0	111.1	A187 L276 S277 M282 L283 E284	A187-H280 PolarHBondContact O-CE1 2.89Å; L276-H280 WeakPolarHBondContact CD1-NE2 3.27Å; L276-H280 PolarHBondContact O-CD2 2.78Å; L276-H280 VanDerWaalsContact O-CD2 3.27Å; L276-H280 PolarHBondContact O-N 2.96Å; S277-H280 PolarHBondContact O-N 2.93Å; H280-M282 PolarHBondContact O-N 2.81Å; H280-M282 VanDerWaalsContact O-N 3.17Å; H280-L283 PolarHBondContact O-N 3.32Å; H280-E284 WeakPolarHBondContact O-CB 3.17Å; H280-E284 WeakPolarHBondContact O-CG 3.24Å; H280-E284 PolarHBondContact O-N 3.34Å
281	T	84.2	Confident	70	Confident	43 Å²	43	57.8 Å²	57.8	26%	0.264	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-28.6	175.2	-57	0	0	0	0	113	Y110 S277 H278 L279	Y110-T281 HydrophobicContact CE1-CG2 4.41Å; S277-T281 PolarHBondContact O-N 2.83Å; S277-T281 PolarHBondContact O-OG1 2.66Å; H278-T281 WeakPolarHBondContact O-CB 3.32Å; H278-T281 PolarHBondContact O-N 2.86Å; L279-T281 VanDerWaalsContact C-N 3.32Å; L279-T281 PolarHBondContact O-N 2.96Å
282	M	83.2	Confident	67.4	Low	4 Å²	4	65.7 Å²	65.7	2%	0.02	38%	0.384	C	S	.	.	H	α-helix	trans	-80.1	-33.1	171.2	-69.5	175.8	51.1	0	0	114.1	I162 L167 A181 L184 H278 L279 H280	I162-M282 HydrophobicContact CG2-CG 4.43Å; I162-M282 HydrophobicContact CG2-SD 3.58Å; I162-M282 VanDerWaalsContact CG2-SD 3.58Å; L167-M282 HydrophobicContact CB-CE 4.21Å; A181-M282 HydrophobicContact CB-CB 4.4Å; A181-M282 HydrophobicContact CB-CE 4.1Å; L184-M282 HydrophobicContact CD1-CE 3.7Å; H278-M282 PolarHBondContact O-N 3.06Å; H278-M282 VanDerWaalsContact O-N 3.11Å; L279-M282 HydrophobicContact CD2-SD 4.37Å; L279-M282 WeakPolarHBondContact O-CB 3.36Å; L279-M282 PolarHBondContact O-N 3.5Å; L279-M282 VanDerWaalsContact O-N 3.16Å; H280-M282 PolarHBondContact O-N 2.81Å; H280-M282 VanDerWaalsContact O-N 3.17Å
283	L	82.5	Confident	64.4	Low	45 Å²	45	73.3 Å²	73.3	24%	0.236	43%	0.425	C	S	.	.	H	α-helix	trans	-76.6	-28.6	180	-74.2	165.3	0	0	0	112.3	L184 A187 L279 H280 D285	L184-L283 HydrophobicContact CB-CD2 3.7Å; A187-L283 HydrophobicContact CB-CD1 4.14Å; L279-L283 WeakPolarHBondContact O-CG 3.4Å; L279-L283 PolarHBondContact O-N 2.9Å; H280-L283 PolarHBondContact O-N 3.32Å; L283-D285 VanDerWaalsContact C-N 3.29Å; L283-D285 PolarHBondContact O-N 3.09Å
284	E	69.9	Low	61.6	Low	126 Å²	126	77.7 Å²	77.7	59%	0.589	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	0.7	178.6	-73	177.5	-175.2	0	0	114.6	H280 P286	H280-E284 WeakPolarHBondContact O-CB 3.17Å; H280-E284 WeakPolarHBondContact O-CG 3.24Å; H280-E284 PolarHBondContact O-N 3.34Å; E284-P286 VanDerWaalsContact O-CD 3.27Å; E284-P286 WeakPolarHBondContact O-CD 3.29Å
285	D	56.5	Low	58.8	Low	69 Å²	69	77.1 Å²	77.1	37%	0.369	46%	0.457	S	S	.	.			trans	-67.6	112.9	178.4	-163.1	-27.6	0	0	0	109.9	Y110 L283 G287	Y110-D285 PolarHBondContact OH-OD2 3.39Å; L283-D285 VanDerWaalsContact C-N 3.29Å; L283-D285 PolarHBondContact O-N 3.09Å; D285-G287 PolarHBondContact O-N 3.27Å
286	P	43.2	Very low	55.8	Low	125 Å²	125	84.7 Å²	84.7	81%	0.812	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	7.9	-163.3	28.2	-36.7	0	0	0	115.4	E284	E284-P286 VanDerWaalsContact O-CD 3.27Å; E284-P286 WeakPolarHBondContact O-CD 3.29Å
287	G	40.1	Very low	53	Low	69 Å²	69	92.3 Å²	92.3	71%	0.711	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.9	176.2	0	0	0	0	0	116.1	D285	D285-G287 PolarHBondContact O-N 3.27Å
288	I	41.3	Very low	50.3	Low	68 Å²	68	101.4 Å²	101.4	35%	0.349	56%	0.561	S	S	.	*	S	Bend	trans	-119.3	-23.2	-166	-67.2	162	0	0	0	114.5	A181	A181-I288 HydrophobicContact CB-CD1 4.11Å
289	H	32.6	Very low	47.4	Very low	106 Å²	106	104.2 Å²	104.2	49%	0.491	58%	0.584	S	S	.	*			trans	-131.6	109	-178.6	-86	-60.6	0	0	0	115.9	R202	R202-H289 PolarHBondContact NH1-CE1 3.4Å; R202-H289 PolarHBondContact NH1-NE2 2.73Å; R202-H289 PolarHBondContact NH2-CE1 3.14Å; R202-H289 PolarHBondContact NH2-NE2 3.03Å
290	S	27.3	Very low	44.5	Very low	101 Å²	101	110.3 Å²	110.3	71%	0.706	62%	0.621	S	S	*	*			trans	-71.8	144.4	150.1	54.7	0	0	0	0	110.7
291	T	27.7	Very low	41.9	Very low	129 Å²	129	111.2 Å²	111.2	79%	0.791	64%	0.635	S	S	*	*			trans	55.6	96.5	168.5	61.2	0	0	0	0	117.3
292	M	33.7	Very low	39.2	Very low	190 Å²	190	119 Å²	119	94%	0.936	66%	0.66	S	S	*	*				-168.5	161.9	105.5	-92	-69	-178.9	0	0	109.5
293	N	28.3	Very low	36.6	Very low	161 Å²	161	130.3 Å²	130.3	86%	0.861	70%	0.702	S	S	*	*			trans	-72.1	141.1	-166.3	-94.3	-27	0	0	0	115.2	G295	N293-G295 PolarHBondContact O-N 3.17Å
294	T	29.1	Very low	34.1	Very low	146 Å²	146	132.3 Å²	132.3	90%	0.896	72%	0.721	S	S	*	*			trans	-69.5	109	157	49.2	0	0	0	0	110.1
295	G	26.6	Very low	32.2	Very low	51 Å²	51	130.1 Å²	130.1	53%	0.526	72%	0.719	S	S	.	*			trans	-157.7	154	176.3	0	0	0	0	0	112.1	N293 L297	N293-G295 PolarHBondContact O-N 3.17Å; G295-L297 VanDerWaalsContact C-N 3.31Å; G295-L297 PolarHBondContact O-N 3.5Å
296	D	27.9	Very low	30.8	Very low	160 Å²	160	133.9 Å²	133.9	86%	0.856	74%	0.735	S	S	*	*	S	Bend	trans	66.3	-17.9	166.5	-54.1	-17.3	0	0	0	120.5	R298	D296-R298 VanDerWaalsContact C-N 3.27Å; D296-R298 PolarHBondContact O-N 3.33Å; D296-R298 VanDerWaalsContact O-N 3.15Å
297	L	32.2	Very low	30.2	Very low	173 Å²	173	135.4 Å²	135.4	91%	0.906	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	43.1	173.6	-66.7	177.7	0	0	0	114.2	G295	G295-L297 VanDerWaalsContact C-N 3.31Å; G295-L297 PolarHBondContact O-N 3.5Å
298	R	27.3	Very low	29.6	Very low	258 Å²	258	139.4 Å²	139.4	97%	0.974	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	11.3	174.8	-86.7	-172.6	173.4	177.5	-0.8	114.7	D296	D296-R298 VanDerWaalsContact C-N 3.27Å; D296-R298 PolarHBondContact O-N 3.33Å; D296-R298 VanDerWaalsContact O-N 3.15Å
299	S	27	Very low	29	Very low	90 Å²	90	145.4 Å²	145.4	63%	0.629	76%	0.755	S	S	*	*	S	Bend	trans	-119	164.7	168.7	63.3	0	0	0	0	110.5
300	V	28.8	Very low	28.6	Very low	129 Å²	129	145.9 Å²	145.9	78%	0.782	77%	0.77	S	S	*	*	S	Bend	trans	64.5	37.3	178.7	-152	0	0	0	0	115.3
301	S	30.9	Very low	28.8	Very low	92 Å²	92	146.8 Å²	146.8	64%	0.643	78%	0.777	S	S	*	*			trans	-145.4	85.1	152.9	-168.8	0	0	0	0	110.8
302	R	27.9	Very low	28.9	Very low	206 Å²	206	144.9 Å²	144.9	78%	0.777	77%	0.774	S	S	*	*			trans	-145.8	38.7	179.1	-80.9	-164.4	175.3	-173.7	-2.7	112.1
303	R	28.1	Very low	28.6	Very low	242 Å²	242	144.1 Å²	144.1	91%	0.913	77%	0.774	S	S	*	*	S	Bend	trans	-139.9	2.6	175.1	-76.4	-164.9	168	174.5	-4.2	115.2
304	S	29.8	Very low	29	Very low	88 Å²	88	144.5 Å²	144.5	62%	0.615	77%	0.774	S	S	*	*	S	Bend	trans	-122.2	12.8	-177.9	-41.6	0	0	0	0	112.8
305	S	29.4	Very low	29	Very low	80 Å²	80	142.3 Å²	142.3	56%	0.559	77%	0.765	S	S	*	*	S	Bend	trans	-137.5	4.9	-168.7	47.8	0	0	0	0	114.7
306	E	27.8	Very low	29	Very low	148 Å²	148	144.2 Å²	144.2	69%	0.692	77%	0.77	S	S	*	*	S	Bend	trans	-106.7	27.1	-175.5	-65.7	-178.7	175.5	0	0	112.9
307	I	30	Very low	29.1	Very low	156 Å²	156	143.4 Å²	143.4	80%	0.8	77%	0.771	S	S	*	*	S	Bend	trans	-135	45.2	172.8	-38	178.9	0	0	0	111.2
308	Y	28.8	Very low	28.9	Very low	153 Å²	153	142.9 Å²	142.9	60%	0.6	76%	0.764	S	S	*	*	S	Bend	trans	-150.8	14.1	159.6	-111.2	-62.3	0	0	0	117.2	L261	L261-Y308 HydrophobicContact CB-CE2 3.69Å; L261-Y308 HydrophobicContact CD1-CE1 4.08Å; L261-Y308 HydrophobicContact CD1-CE2 4.1Å; L261-Y308 WeakPolarHBondContact CD2-OH 3.4Å; L261-Y308 HydrophobicContact CG-CE2 4.4Å
309	H	27.3	Very low	28.9	Very low	194 Å²	194	140 Å²	140	90%	0.898	76%	0.759	S	S	*	*			trans	-133.6	98.9	171.3	-73.4	-64.1	0	0	0	111.3
310	S	25.9	Very low	28.9	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	76%	0.764	S	S	*	*			trans	-146	145.4	163	-172.8	0	0	0	0	107.8
311	S	29.5	Very low	29	Very low	120 Å²	120	145.2 Å²	145.2	84%	0.839	77%	0.766	S	S	*	*	S	Bend	trans	66.3	127.3	-157.8	-51.8	0	0	0	0	113.8
312	A	30.8	Very low	28.9	Very low	89 Å²	89	146.3 Å²	146.3	74%	0.736	77%	0.765	S	S	*	*			cis	-156.5	139.3	-11.7	0	0	0	0	0	111
313	D	27.8	Very low	29.2	Very low	173 Å²	173	141.2 Å²	141.2	93%	0.925	76%	0.761	S	S	*	*			trans	-134.1	84.7	163.6	-93.2	-46	0	0	0	108.1
314	I	35.4	Very low	29.2	Very low	169 Å²	169	136.5 Å²	136.5	87%	0.867	75%	0.754	S	S	*	*			trans	-133	132.8	167	-62.1	-176.8	0	0	0	107.6
315	S	29.1	Very low	29.2	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	76%	0.757	S	S	*	*			trans	-78.2	141.6	-163.6	-165.6	0	0	0	0	114.2
316	S	27.9	Very low	29.3	Very low	91 Å²	91	140.9 Å²	140.9	64%	0.636	77%	0.77	S	S	*	*			trans	37.9	113.2	142.9	62.6	0	0	0	0	119.6
317	T	30.1	Very low	29.3	Very low	143 Å²	143	137.8 Å²	137.8	88%	0.877	77%	0.77	S	S	*	*				-167.8	168.9	109.8	17.2	0	0	0	0	111
318	E	27.2	Very low	29.4	Very low	161 Å²	161	136.2 Å²	136.2	75%	0.752	77%	0.77	S	S	*	*			trans	-82.5	158.3	-171.4	-59.8	153.7	121.4	0	0	112.8
319	F	28.3	Very low	29.4	Very low	198 Å²	198	132.8 Å²	132.8	87%	0.868	77%	0.768	S	S	*	*				-174	153.8	106.5	-102.6	-73.6	0	0	0	112.3
320	H	27.2	Very low	29.5	Very low	160 Å²	160	133.7 Å²	133.7	74%	0.741	77%	0.77	S	S	*	*			trans	-69.8	168.3	177.7	-88.6	-107.3	0	0	0	111.9
321	M	30.8	Very low	29.7	Very low	168 Å²	168	135.1 Å²	135.1	83%	0.828	76%	0.764	S	S	*	*			cis	-158.2	150.4	48.3	-60.5	178.2	76.8	0	0	115.6
322	N	28.8	Very low	29.8	Very low	116 Å²	116	135.7 Å²	135.7	62%	0.62	76%	0.758	S	S	*	*			trans	10.7	151.1	138.9	-54.9	5.2	0	0	0	119.7
323	S	33	Very low	30	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	75%	0.75	S	S	*	*			cis	-161.7	150.6	41.3	-41	0	0	0	0	115.1
324	N	29	Very low	30.1	Very low	143 Å²	143	133.6 Å²	133.6	77%	0.765	74%	0.739	S	S	*	*			trans	33.6	140	132.2	-47.1	-10.8	0	0	0	119.7
325	S	29.9	Very low	29.8	Very low	96 Å²	96	136.2 Å²	136.2	67%	0.671	74%	0.739	S	S	*	*				-169	142.9	58.3	-79.6	0	0	0	0	116
326	I	30.7	Very low	29.9	Very low	163 Å²	163	138.7 Å²	138.7	84%	0.836	74%	0.739	S	S	*	*			trans	68.9	116.2	138.9	-60.7	167.2	0	0	0	119.4
327	A	27.6	Very low	30	Very low	84 Å²	84	137.8 Å²	137.8	69%	0.694	74%	0.737	S	S	*	*			trans	-102.4	178.1	151.7	0	0	0	0	0	109.6
328	P	32.5	Very low	30	Very low	122 Å²	122	138.6 Å²	138.6	79%	0.792	74%	0.736	S	S	*	*				-149.2	161.1	92.1	37.4	-19.5	0	0	0	117.7
329	S	28.4	Very low	29.9	Very low	82 Å²	82	139.7 Å²	139.7	57%	0.573	74%	0.741	S	S	*	*			trans	-47.7	162.7	166	51.6	0	0	0	0	118.1
330	F	30.4	Very low	30.2	Very low	212 Å²	212	135.2 Å²	135.2	93%	0.93	73%	0.732	S	S	*	*			trans	-134.5	149	134.9	-113.9	-84.7	0	0	0	111.6
331	Q	29	Very low	30.2	Very low	147 Å²	147	137.8 Å²	137.8	69%	0.687	74%	0.741	S	S	*	*			trans	-105.2	-171.1	-176.7	-61.9	161.6	-117.6	0	0	109.7
332	D	31.1	Very low	29.9	Very low	133 Å²	133	141.7 Å²	141.7	71%	0.711	75%	0.747	S	S	*	*			cis	-157.8	-163.4	16.2	-139.8	15.7	0	0	0	109.5
333	P	35.8	Very low	29.9	Very low	88 Å²	88	141.6 Å²	141.6	57%	0.571	76%	0.755	S	S	*	*			trans	-135.8	-150	-132.5	39	-13.5	0	0	0	115.4
334	N	30.2	Very low	29.5	Very low	129 Å²	129	147.4 Å²	147.4	69%	0.69	76%	0.762	S	S	*	*			trans	79.7	122.8	163.7	-55.7	-44.4	0	0	0	119.3
335	Y	30.1	Very low	29.4	Very low	224 Å²	224	147.8 Å²	147.8	88%	0.878	76%	0.764	S	S	*	*				-158.5	168.4	91.9	-146.9	-103	0	0	0	114
336	H	30.3	Very low	29.3	Very low	153 Å²	153	149.2 Å²	149.2	71%	0.708	77%	0.774	S	S	*	*			trans	-95.6	136.9	-157.8	-107.1	-110.5	0	0	0	117.2
337	A	28.9	Very low	29	Very low	72 Å²	72	149.3 Å²	149.3	60%	0.595	78%	0.775	S	S	*	*				85.1	159.2	119.5	0	0	0	0	0	125
338	N	30.4	Very low	29.1	Very low	161 Å²	161	150.9 Å²	150.9	86%	0.861	78%	0.779	S	S	*	*			trans	96	111.6	155.5	-61.6	-32.9	0	0	0	120.4
339	Q	26.5	Very low	28.9	Very low	183 Å²	183	153.6 Å²	153.6	86%	0.855	78%	0.781	S	S	*	*			trans	-97.1	-159.1	166.4	-62.5	-172.3	7.2	0	0	110.4
340	P	33	Very low	29.1	Very low	104 Å²	104	155.2 Å²	155.2	68%	0.675	79%	0.79	S	S	*	*				-125.5	-176.8	-75.1	36.3	-20.7	0	0	0	112.2
341	K	28.4	Very low	29	Very low	215 Å²	215	152.2 Å²	152.2	94%	0.935	78%	0.782	S	S	*	*			trans	-156.4	162.4	151.7	-108.5	145	-167.6	175.5	0	113.2
342	R	23.8	Very low	29.2	Very low	249 Å²	249	150 Å²	150	94%	0.94	77%	0.774	S	S	*	*			trans	-103.9	143.8	-166	-61.1	167.7	169.2	165.3	-6.4	113.3
343	S	28.7	Very low	29.4	Very low	115 Å²	115	148.2 Å²	148.2	80%	0.804	77%	0.77	S	S	*	*			trans	-166.6	104.7	145.6	-163.1	0	0	0	0	109.4
344	R	25.8	Very low	29.5	Very low	220 Å²	220	149.9 Å²	149.9	83%	0.83	77%	0.774	S	S	*	*				65.9	103	89.8	-82.6	-171.3	174.4	177	-0.6	116.9
345	N	25.8	Very low	29.7	Very low	151 Å²	151	148.9 Å²	148.9	81%	0.807	77%	0.768	S	S	*	*			trans	65.6	113.3	133.9	-56.4	11	0	0	0	121.3
346	S	28.3	Very low	29.9	Very low	127 Å²	127	143.2 Å²	143.2	89%	0.888	75%	0.752	S	S	*	*				-159	150.8	128.2	31.5	0	0	0	0	109.9
347	L	25.2	Very low	29.9	Very low	164 Å²	164	141 Å²	141	86%	0.859	75%	0.754	S	S	*	*			trans	-140.5	125.9	-169.9	-179.4	76	0	0	0	110.9
348	P	28.7	Very low	30.1	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-87.8	161	168.5	-11.6	30	0	0	0	114
349	E	28.9	Very low	30.1	Very low	179 Å²	179	146.8 Å²	146.8	84%	0.836	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-85.6	159	-167.1	-59.4	-169.3	128.6	0	0	116.1
350	P	31	Very low	30.4	Very low	117 Å²	117	143.8 Å²	143.8	76%	0.76	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-82.4	137.7	172.1	33.4	-34.1	0	0	0	113.2
351	I	29.7	Very low	30.3	Very low	149 Å²	149	147.3 Å²	147.3	76%	0.764	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-85.4	150.4	-174.8	-66.1	174	0	0	0	112.9	L355	I351-L355 HydrophobicContact CG2-CD1 4.31Å
352	N	33.1	Very low	30.4	Very low	99 Å²	99	142.7 Å²	142.7	53%	0.529	74%	0.742	S	S	.	*	P	Polyproline II helix	trans	-52.9	128.5	-173	-176.4	-13.2	0	0	0	114.9	N354	N352-N354 PolarHBondContact O-N 2.86Å; N352-N354 VanDerWaalsContact O-N 3.12Å; N352-N354 PolarHBondContact OD1-N 3.05Å; N352-N354 PolarHBondContact OD1-ND2 3.47Å
353	P	35.1	Very low	30.7	Very low	96 Å²	96	136 Å²	136	62%	0.623	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-70.8	-2.4	-176.1	28.6	-36.5	0	0	0	116.2	L355	P353-L355 PolarHBondContact O-N 3.31Å
354	N	36.9	Very low	30.9	Very low	123 Å²	123	135.7 Å²	135.7	66%	0.658	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-86	8.4	-173.9	-71.5	-73.8	0	0	0	115.9	N352 S357	N352-N354 PolarHBondContact O-N 2.86Å; N352-N354 VanDerWaalsContact O-N 3.12Å; N352-N354 PolarHBondContact OD1-N 3.05Å; N352-N354 PolarHBondContact OD1-ND2 3.47Å; N354-S357 PolarHBondContact O-OG 3.32Å
355	L	36.1	Very low	31.1	Very low	108 Å²	108	129.3 Å²	129.3	57%	0.565	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-90	-11.4	-171.8	-86	161.3	0	0	0	116.1	I351 P353 S357	I351-L355 HydrophobicContact CG2-CD1 4.31Å; P353-L355 PolarHBondContact O-N 3.31Å; L355-S357 PolarHBondContact O-N 3.4Å
356	I	33.5	Very low	31.3	Very low	106 Å²	106	129.8 Å²	129.8	54%	0.544	72%	0.717	S	S	.	*	G	3₁₀ helix	trans	-72.4	-15.3	-174.6	-64.4	174.2	0	0	0	112.7	K358	I356-K358 VanDerWaalsContact C-N 3.34Å; I356-K358 PolarHBondContact O-N 3.05Å
357	S	31.4	Very low	31.3	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-79.5	-0.1	-174.6	58.1	0	0	0	0	116.2	N354 L355	N354-S357 PolarHBondContact O-OG 3.32Å; L355-S357 PolarHBondContact O-N 3.4Å
358	K	32.1	Very low	31.4	Very low	182 Å²	182	125.8 Å²	125.8	79%	0.791	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-117.2	-2.7	-173.4	-73.2	-170	174.1	-174.5	0	116.7	I356	I356-K358 VanDerWaalsContact C-N 3.34Å; I356-K358 PolarHBondContact O-N 3.05Å
359	F	30.2	Very low	31.4	Very low	171 Å²	171	129.9 Å²	129.9	75%	0.75	70%	0.704	S	S	*	*			trans	-94.4	-13.2	-167.3	-100.6	-91.9	0	0	0	117.1	K361	F359-K361 VanDerWaalsContact C-N 3.31Å; F359-K361 PolarHBondContact O-N 2.9Å
360	L	32.6	Very low	31.4	Very low	120 Å²	120	131.5 Å²	131.5	63%	0.628	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	58.3	-170	-65.8	169.6	0	0	0	114.2	A154	A154-L360 HydrophobicContact CB-CD2 3.86Å
361	K	31.1	Very low	31.1	Very low	178 Å²	178	132.5 Å²	132.5	77%	0.774	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.8	4.3	177.5	-107.1	-173.5	-179.3	-174.3	0	117.7	F359	F359-K361 VanDerWaalsContact C-N 3.31Å; F359-K361 PolarHBondContact O-N 2.9Å
362	V	31.4	Very low	31	Very low	119 Å²	119	130.7 Å²	130.7	72%	0.721	71%	0.713	S	S	*	*	S	Bend	trans	-121.3	-16.6	-175.9	-175.6	0	0	0	0	113.1	S364	V362-S364 PolarHBondContact O-N 2.99Å; V362-S364 VanDerWaalsContact O-N 3.16Å
363	T	29.7	Very low	30.7	Very low	109 Å²	109	130.9 Å²	130.9	67%	0.669	72%	0.721	S	S	*	*			trans	-91.3	65	-174.6	56.3	0	0	0	0	112.8
364	S	32.2	Very low	30.6	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	73%	0.733	S	S	*	*			trans	-130.5	13.6	175.9	57.6	0	0	0	0	114	V362	V362-S364 PolarHBondContact O-N 2.99Å; V362-S364 VanDerWaalsContact O-N 3.16Å
365	S	30.5	Very low	30.2	Very low	87 Å²	87	136.8 Å²	136.8	61%	0.608	74%	0.738	S	S	*	*			trans	-112.6	-0.7	-170.6	52.1	0	0	0	0	115.2	S367	S365-S367 PolarHBondContact O-N 3.16Å
366	L	29.9	Very low	29.9	Very low	160 Å²	160	136 Å²	136	84%	0.838	74%	0.742	S	S	*	*	S	Bend	trans	-100.4	40.7	-174.8	-71.4	171.6	0	0	0	113.6
367	S	28.7	Very low	29.6	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	75%	0.752	S	S	*	*	S	Bend	trans	-143.5	43	177	46.8	0	0	0	0	112.7	S365	S365-S367 PolarHBondContact O-N 3.16Å
368	S	27.6	Very low	29.5	Very low	94 Å²	94	140.3 Å²	140.3	66%	0.657	75%	0.752	S	S	*	*			trans	-152.5	162.1	165.6	64.9	0	0	0	0	111.7
369	R	29	Very low	29.2	Very low	203 Å²	203	137.2 Å²	137.2	77%	0.766	75%	0.748	S	S	*	*			trans	81.3	71.9	179.2	-47.1	178.1	-166.2	177.3	6.2	117.5
370	F	27.2	Very low	29.1	Very low	213 Å²	213	135.4 Å²	135.4	93%	0.934	75%	0.751	S	S	*	*			trans	-157.3	87.3	147.4	-100.8	-66.2	0	0	0	111.3
371	V	26.1	Very low	28.6	Very low	137 Å²	137	138.5 Å²	138.5	83%	0.83	76%	0.759	S	S	*	*			trans	-147.2	140.2	172.3	178.1	0	0	0	0	109.5
372	S	26.7	Very low	28.6	Very low	112 Å²	112	137 Å²	137	78%	0.783	77%	0.765	S	S	*	*			trans	66.3	146	176	-63.2	0	0	0	0	116.4
373	S	27.9	Very low	28.2	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	76%	0.764	S	S	*	*			cis	-144.9	144.6	23.1	-53.3	0	0	0	0	114.9
374	K	32.5	Very low	28	Very low	200 Å²	200	138.9 Å²	138.9	87%	0.87	78%	0.776	S	S	*	*			trans	175.2	122.9	141.1	-94.3	158	-174.5	-175.4	0	106.6
375	N	29	Very low	27.6	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	78%	0.775	S	S	*	*				63.9	122.2	57.9	-68.3	34.5	0	0	0	112
376	S	28.5	Very low	27.5	Very low	92 Å²	92	145.5 Å²	145.5	64%	0.643	79%	0.79	S	S	*	*			cis	-162.9	167	-2.2	-69.7	0	0	0	0	110.5
377	L	28.2	Very low	27.4	Very low	146 Å²	146	146.8 Å²	146.8	76%	0.764	79%	0.792	S	S	*	*			trans	66.6	154.7	159.1	-98.4	65.5	0	0	0	116.7
378	E	28.5	Very low	27.5	Very low	158 Å²	158	146.5 Å²	146.5	74%	0.738	79%	0.787	S	S	*	*			cis	-150.6	171.3	-9.8	-157.7	147	-132.4	0	0	111.9
379	T	25.6	Very low	27.5	Very low	116 Å²	116	148 Å²	148	71%	0.712	80%	0.795	S	S	*	*			trans	-37.7	145	170.5	-33.7	0	0	0	0	114.7
380	V	27.5	Very low	27.3	Very low	134 Å²	134	147.5 Å²	147.5	81%	0.812	80%	0.798	S	S	*	*				-167.4	157.4	84.7	157	0	0	0	0	111.8
381	K	23.5	Very low	27.2	Very low	184 Å²	184	145.7 Å²	145.7	80%	0.8	80%	0.796	S	S	*	*			trans	-93.7	154.7	179.9	-47.9	165.9	-178.9	174.1	0	112.7
382	T	29.5	Very low	27.1	Very low	146 Å²	146	143.6 Å²	143.6	90%	0.896	79%	0.788	S	S	*	*			trans	-166.4	146.1	130.5	20.5	0	0	0	0	111.8
383	N	23.5	Very low	27.1	Very low	132 Å²	132	143.8 Å²	143.8	71%	0.706	79%	0.788	S	S	*	*			trans	-76.1	156.3	164.4	-85.5	23	0	0	0	110.9
384	C	26	Very low	26.9	Very low	136 Å²	136	148.2 Å²	148.2	92%	0.919	80%	0.795	S	S	*	*			trans	-140.3	134.7	131.5	-85.4	0	0	0	0	108.2
385	D	24.4	Very low	26.4	Very low	137 Å²	137	144 Å²	144	73%	0.733	79%	0.79	S	S	*	*			trans	-87.6	152.9	173.7	-62.4	-94.6	0	0	0	110.9
386	E	27.8	Very low	26.3	Very low	197 Å²	197	142.6 Å²	142.6	92%	0.921	79%	0.792	S	S	*	*			trans	-161.8	148.8	138.3	-118.3	175	-167.7	0	0	111.8
387	Q	27.3	Very low	26	Very low	186 Å²	186	144 Å²	144	87%	0.869	80%	0.797	S	S	*	*			trans	-113.5	154.3	-176.9	-105.5	-163.2	-15	0	0	112.6
388	P	30.4	Very low	26	Very low	108 Å²	108	145.1 Å²	145.1	70%	0.701	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-91.1	158.8	-176.4	36.9	-35.8	0	0	0	113.7
389	P	28.8	Very low	25.8	Very low	125 Å²	125	145.5 Å²	145.5	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-76.8	147.1	168.2	32.3	-33.8	0	0	0	112.2
390	K	24.6	Very low	26	Very low	194 Å²	194	147.9 Å²	147.9	84%	0.843	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-91.9	154.4	173.3	-59.2	167.1	-176.5	169.9	0	110.3
391	I	25.8	Very low	25.9	Very low	174 Å²	174	150.1 Å²	150.1	89%	0.892	81%	0.813	S	S	*	*			trans	-128.2	134	153.5	-62.3	-178.9	0	0	0	107.8
392	S	23	Very low	26.2	Very low	94 Å²	94	149.4 Å²	149.4	66%	0.657	82%	0.818	S	S	*	*			trans	-153.1	125.3	-176.8	56.2	0	0	0	0	111.5
393	C	25.9	Very low	26.1	Very low	115 Å²	115	148.6 Å²	148.6	78%	0.777	81%	0.813	S	S	*	*			trans	-125.9	120.2	164.8	-67.8	0	0	0	0	107.5
394	F	25.3	Very low	26.5	Very low	196 Å²	196	151 Å²	151	86%	0.86	82%	0.82	S	S	*	*				59.1	102.2	84.6	-74.4	-70.8	0	0	0	111.2
395	S	21.8	Very low	26.5	Very low	111 Å²	111	152.3 Å²	152.3	78%	0.776	82%	0.818	S	S	*	*			cis	95.1	106.6	29.1	-169	0	0	0	0	114.1
396	S	26.7	Very low	27	Very low	114 Å²	114	153.3 Å²	153.3	80%	0.797	82%	0.822	S	S	*	*			trans	-161.3	116.1	151.6	57.4	0	0	0	0	111.2
397	T	22.2	Very low	27	Very low	122 Å²	122	152.2 Å²	152.2	75%	0.748	82%	0.817	S	S	*	*			trans	-46.1	154.6	159.5	14.8	0	0	0	0	114.2
398	I	29	Very low	27.2	Very low	169 Å²	169	148.9 Å²	148.9	87%	0.867	81%	0.811	S	S	*	*				-153.1	144.9	127.2	-102.8	158.3	0	0	0	107.6
399	E	23.7	Very low	27.2	Very low	165 Å²	165	149.6 Å²	149.6	77%	0.771	82%	0.816	S	S	*	*			trans	-89.4	156.1	179.2	-64.1	156.6	156.8	0	0	110.4
400	N	29.2	Very low	27.2	Very low	166 Å²	166	151 Å²	151	89%	0.888	82%	0.817	S	S	*	*			trans	-167.6	139.1	134.2	-96	-18.1	0	0	0	109.6
401	E	24.7	Very low	27.2	Very low	182 Å²	182	147.9 Å²	147.9	85%	0.85	81%	0.809	S	S	*	*			trans	-80.5	142.1	166.4	-57.7	178.6	120.5	0	0	109
402	D	31.5	Very low	27.3	Very low	168 Å²	168	145.3 Å²	145.3	90%	0.898	80%	0.804	S	S	*	*			trans	-152.1	129.2	151.1	-109.5	-38.7	0	0	0	108.9
403	T	26.4	Very low	27.5	Very low	129 Å²	129	145.3 Å²	145.3	79%	0.791	80%	0.804	S	S	*	*			trans	-97.4	109.4	-171.9	52.9	0	0	0	0	112
404	E	32.6	Very low	27.7	Very low	182 Å²	182	146 Å²	146	85%	0.85	80%	0.804	S	S	*	*			trans	-114.4	132.6	159.2	-70.9	-150.3	136.6	0	0	111.7	I406	E404-I406 PolarHBondContact O-N 2.4Å
405	N	25.2	Very low	28.3	Very low	164 Å²	164	141 Å²	141	88%	0.877	80%	0.8	S	S	*	*			trans	-81.4	110.7	-177.2	-69.9	-83	0	0	0	110.2
406	I	34.7	Very low	29.9	Very low	158 Å²	158	141.1 Å²	141.1	81%	0.81	80%	0.8	S	S	*	*			trans	-117.4	114.4	168.7	-57.6	-178.7	0	0	0	108.2	E404	E404-I406 PolarHBondContact O-N 2.4Å
407	E	28.6	Very low	32.3	Very low	174 Å²	174	137 Å²	137	81%	0.813	77%	0.771	S	S	*	*			trans	-62	145.3	-177.4	-66	-176.9	108	0	0	112.3
408	P	30.7	Very low	35.3	Very low	116 Å²	116	133.1 Å²	133.1	75%	0.753	75%	0.746	S	S	*	*			trans	-63.7	130.6	172.6	27.4	-33.8	0	0	0	109.9	N410	P408-N410 PolarHBondContact O-N 3.18Å
409	P	30.3	Very low	38.1	Very low	124 Å²	124	125.3 Å²	125.3	81%	0.805	71%	0.707	S	S	*	*			trans	-68.5	106.2	-167.7	25	-34.6	0	0	0	112.9
410	N	28.5	Very low	41.2	Very low	155 Å²	155	120.7 Å²	120.7	83%	0.829	69%	0.687	S	S	*	*			trans	36.9	95.3	154.8	-74.7	-60.9	0	0	0	117.6	P408	P408-N410 PolarHBondContact O-N 3.18Å
411	N	25	Very low	43.9	Very low	127 Å²	127	114.1 Å²	114.1	68%	0.679	65%	0.653	S	S	*	*			trans	-17	118.5	153.7	178.4	14.6	0	0	0	114.8	S413	N411-S413 VanDerWaalsContact C-N 3.32Å; N411-S413 PolarHBondContact O-N 3Å
412	P	28.2	Very low	47.1	Very low	121 Å²	121	105.6 Å²	105.6	79%	0.786	61%	0.613	S	S	*	*			trans	-71	86.6	175.1	29.3	-34.1	0	0	0	111	T414	P412-T414 PolarHBondContact O-N 3.08Å
413	S	27.7	Very low	49.8	Very low	94 Å²	94	99.7 Å²	99.7	66%	0.657	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.9	98.3	-172	-66.9	0	0	0	0	115.8	N411 A415	N411-S413 VanDerWaalsContact C-N 3.32Å; N411-S413 PolarHBondContact O-N 3Å; S413-A415 VanDerWaalsContact C-N 3.34Å; S413-A415 PolarHBondContact O-N 2.85Å
414	T	30.1	Very low	52.7	Low	128 Å²	128	100.1 Å²	100.1	79%	0.785	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.3	46	149.8	56.5	0	0	0	0	115.9	P412 S416	P412-T414 PolarHBondContact O-N 3.08Å; T414-S416 PolarHBondContact O-N 3.12Å
415	A	36.6	Very low	55.1	Low	92 Å²	92	94.2 Å²	94.2	76%	0.76	56%	0.555	S	S	*	*			trans	-53.4	114.9	154.5	0	0	0	0	0	107.1	S413 S417	S413-A415 VanDerWaalsContact C-N 3.34Å; S413-A415 PolarHBondContact O-N 2.85Å; A415-S417 VanDerWaalsContact C-N 3.27Å; A415-S417 PolarHBondContact O-N 2.93Å
416	S	57.2	Low	58.1	Low	113 Å²	113	86.4 Å²	86.4	79%	0.79	51%	0.514	S	S	*	.			trans	-75	81	-164.9	64.4	0	0	0	0	111.4	T414 N418	T414-S416 PolarHBondContact O-N 3.12Å; S416-N418 PolarHBondContact O-N 2.91Å
417	S	76.7	Confident	60.5	Low	27 Å²	27	79.1 Å²	79.1	19%	0.189	48%	0.476	C	S	.	.			trans	-48.8	136.2	174.7	-178.8	0	0	0	0	110.7	A415 P419 W422 D432 F544	A415-S417 VanDerWaalsContact C-N 3.27Å; A415-S417 PolarHBondContact O-N 2.93Å; S417-P419 WeakPolarHBondContact O-CD 3.21Å; S417-W422 WeakPolarHBondContact OG-CZ2 3.19Å; S417-W422 PolarHBondContact OG-NE1 3.46Å; S417-W422 VanDerWaalsContact OG-NE1 3.13Å; S417-D432 WeakPolarHBondContact CB-OD2 3.21Å; S417-D432 PolarHBondContact OG-OD1 3.33Å; S417-D432 PolarHBondContact OG-OD2 3.38Å; S417-F544 WeakPolarHBondContact O-CE2 3.33Å
418	N	85.6	Confident	63.2	Low	42 Å²	42	73.8 Å²	73.8	23%	0.225	45%	0.453	C	S	.	.			trans	-120.6	94.6	-170.6	173.1	58.6	0	0	0	108.3	S416 I420 S421 F544 K548	S416-N418 PolarHBondContact O-N 2.91Å; N418-I420 PolarHBondContact O-N 3.22Å; N418-S421 WeakPolarHBondContact ND2-CB 3.46Å; N418-S421 PolarHBondContact ND2-N 3.4Å; N418-S421 PolarHBondContact ND2-OG 2.76Å; N418-S421 PolarHBondContact O-N 3.4Å; N418-S421 PolarHBondContact O-OG 3.24Å; N418-F544 HydrophobicContact CB-CZ 4Å; N418-F544 WeakPolarHBondContact OD1-CE1 3.33Å; N418-F544 WeakPolarHBondContact OD1-CZ 3.32Å; N418-K548 PolarHBondContact OD1-NZ 3.48Å
419	P	87.3	Confident	66.1	Low	5 Å²	5	68.3 Å²	68.3	3%	0.032	42%	0.418	C	S	.	.	H	α-helix	trans	-53	-26	-178.1	-29.7	35.3	0	0	0	114.2	S417 W422 Y537 I540 L541 F544	S417-P419 WeakPolarHBondContact O-CD 3.21Å; P419-W422 HydrophobicContact CB-CD2 4.3Å; P419-W422 HydrophobicContact CB-CE3 4.26Å; P419-W422 HydrophobicContact CB-CZ3 4.42Å; P419-W422 HydrophobicContact CG-CH2 4.36Å; P419-W422 HydrophobicContact CG-CZ2 4.29Å; P419-W422 WeakPolarHBondContact O-CB 3.43Å; P419-W422 PolarHBondContact O-N 3.22Å; P419-Y537 HydrophobicContact CB-CE2 4.14Å; P419-Y537 WeakPolarHBondContact O-CE2 3.36Å; P419-Y537 PolarHBondContact O-OH 3.45Å; P419-I540 HydrophobicContact CB-CG2 4.11Å; P419-I540 HydrophobicContact CG-CG2 3.55Å; P419-L541 HydrophobicContact CB-CB 4.47Å; P419-L541 HydrophobicContact CB-CD1 4.13Å; P419-F544 HydrophobicContact CG-CB 4.16Å; P419-F544 HydrophobicContact CG-CD1 4.46Å; P419-F544 HydrophobicContact CG-CD2 4.36Å; P419-F544 HydrophobicContact CG-CG 4.12Å
420	I	88.6	Confident	68.9	Low	68 Å²	68	62.7 Å²	62.7	35%	0.349	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-46.1	174.9	-56	174.1	0	0	0	111.3	N418 W422 A423 L541 F544	N418-I420 PolarHBondContact O-N 3.22Å; I420-W422 VanDerWaalsContact C-N 3.32Å; I420-W422 PolarHBondContact O-N 3.11Å; I420-A423 PolarHBondContact O-N 2.75Å; I420-L541 HydrophobicContact CG1-CD1 3.8Å; I420-F544 HydrophobicContact CD1-CD1 4.34Å; I420-F544 HydrophobicContact CD1-CE1 3.94Å; I420-F544 HydrophobicContact CG1-CD1 4.31Å; I420-F544 HydrophobicContact CG1-CE1 4.09Å
421	S	86.2	Confident	71.6	Confident	27 Å²	27	59.6 Å²	59.6	19%	0.189	36%	0.364	C	S	.	.	H	α-helix	trans	-73	-23	-177.2	43.4	0	0	0	0	113.2	N418 A423 E424 N428	N418-S421 WeakPolarHBondContact ND2-CB 3.46Å; N418-S421 PolarHBondContact ND2-N 3.4Å; N418-S421 PolarHBondContact ND2-OG 2.76Å; N418-S421 PolarHBondContact O-N 3.4Å; N418-S421 PolarHBondContact O-OG 3.24Å; S421-A423 PolarHBondContact O-N 3.46Å; S421-E424 WeakPolarHBondContact CA-OE2 3.46Å; S421-E424 WeakPolarHBondContact CB-OE2 3.36Å; S421-E424 PolarHBondContact O-N 3.47Å; S421-E424 VanDerWaalsContact O-N 3.11Å; S421-N428 WeakPolarHBondContact O-CB 3.35Å; S421-N428 PolarHBondContact O-ND2 3.14Å
422	W	90.6	Very high	74.4	Confident	3 Å²	3	54.8 Å²	54.8	1%	0.011	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-27.4	172.4	-52.5	-10.8	0	0	0	112.4	S417 P419 I420 L429 D432 V434 A435 E438 F528 F531 Y537 I540	S417-W422 WeakPolarHBondContact OG-CZ2 3.19Å; S417-W422 PolarHBondContact OG-NE1 3.46Å; S417-W422 VanDerWaalsContact OG-NE1 3.13Å; P419-W422 HydrophobicContact CB-CD2 4.3Å; P419-W422 HydrophobicContact CB-CE3 4.26Å; P419-W422 HydrophobicContact CB-CZ3 4.42Å; P419-W422 HydrophobicContact CG-CH2 4.36Å; P419-W422 HydrophobicContact CG-CZ2 4.29Å; P419-W422 WeakPolarHBondContact O-CB 3.43Å; P419-W422 PolarHBondContact O-N 3.22Å; I420-W422 VanDerWaalsContact C-N 3.32Å; I420-W422 PolarHBondContact O-N 3.11Å; W422-L429 HydrophobicContact CB-CB 4.38Å; W422-D432 PolarHBondContact NE1-OD2 3.49Å; W422-V434 HydrophobicContact CH2-CG1 4.39Å; W422-V434 HydrophobicContact CZ2-CB 4.39Å; W422-V434 HydrophobicContact CZ2-CG1 4.16Å; W422-A435 HydrophobicContact CD2-CB 3.53Å; W422-A435 HydrophobicContact CE3-CB 4.14Å; W422-A435 HydrophobicContact CG-CB 3.75Å; W422-A435 HydrophobicContact CH2-CB 4.39Å; W422-A435 HydrophobicContact CZ2-CB 3.81Å; W422-E438 HydrophobicContact CH2-CB 4.47Å; W422-E438 HydrophobicContact CH2-CG 4.23Å; W422-E438 HydrophobicContact CZ3-CB 4.37Å; W422-F528 WeakPolarHBondContact O-CE2 3.3Å; W422-F528 VanDerWaalsContact O-CZ 3.3Å; W422-F528 WeakPolarHBondContact O-CZ 3.49Å; W422-F531 HydrophobicContact CE3-CE1 4.3Å; W422-F531 HydrophobicContact CE3-CZ 4.25Å; W422-F531 HydrophobicContact CZ3-CZ 4.27Å; W422-Y537 AromaticContact CE3-CD2 3.73Å; W422-Y537 HydrophobicContact CE3-CD2 3.73Å; W422-Y537 AromaticContact CE3-CE2 3.74Å; W422-Y537 HydrophobicContact CE3-CE2 3.74Å; W422-Y537 HydrophobicContact CZ3-CD2 4.04Å; W422-Y537 HydrophobicContact CZ3-CE2 4.39Å; W422-I540 HydrophobicContact CH2-CG2 4.1Å; W422-I540 HydrophobicContact CZ3-CG2 4.24Å
423	A	90	Very high	77.3	Confident	44 Å²	44	54 Å²	54	36%	0.364	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.4	179.8	0	0	0	0	0	114.4	I420 S421 L532 Y537	I420-A423 PolarHBondContact O-N 2.75Å; S421-A423 PolarHBondContact O-N 3.46Å; A423-L532 HydrophobicContact CB-CD1 3.98Å; A423-L532 HydrophobicContact CB-CD2 3.77Å; A423-Y537 WeakPolarHBondContact CB-OH 3.47Å
424	E	86.1	Confident	80.3	Confident	138 Å²	138	53 Å²	53	65%	0.645	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-38.2	-178.9	-68.4	170.9	167.3	0	0	112	S421	S421-E424 WeakPolarHBondContact CA-OE2 3.46Å; S421-E424 WeakPolarHBondContact CB-OE2 3.36Å; S421-E424 PolarHBondContact O-N 3.47Å; S421-E424 VanDerWaalsContact O-N 3.11Å
425	D	82.6	Confident	83.2	Confident	59 Å²	59	47 Å²	47	32%	0.316	29%	0.286	S	S	.	.			trans	-154.5	150.8	169.3	-161	-6.3	0	0	0	109.8	D427 N428 K524	D425-D427 PolarHBondContact O-N 3.21Å; D425-N428 WeakPolarHBondContact O-CB 3.27Å; D425-N428 PolarHBondContact O-N 3.23Å; D425-K524 WeakPolarHBondContact OD1-CE 3.33Å; D425-K524 IonicContact OD1-NZ 2.81Å; D425-K524 PolarHBondContact OD1-NZ 2.61Å
426	F	89.1	Confident	85.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-30.7	-178.7	-174.7	-140.2	0	0	0	112.1	N428 L429 L430 F439 Y520 M523 K524 F528	F426-N428 VanDerWaalsContact C-N 3.33Å; F426-N428 PolarHBondContact O-N 2.85Å; F426-L429 HydrophobicContact CE2-CD2 4.34Å; F426-L429 WeakPolarHBondContact O-CB 3.48Å; F426-L429 PolarHBondContact O-N 2.84Å; F426-L429 VanDerWaalsContact O-N 3.12Å; F426-L430 HydrophobicContact CD1-CD1 3.86Å; F426-L430 HydrophobicContact CD1-CG 4.35Å; F426-L430 HydrophobicContact CD2-CG 4.32Å; F426-L430 HydrophobicContact CE1-CD1 3.65Å; F426-L430 HydrophobicContact CE1-CD2 4.41Å; F426-L430 HydrophobicContact CE1-CG 4.16Å; F426-L430 HydrophobicContact CE2-CD1 4.48Å; F426-L430 HydrophobicContact CE2-CD2 4.06Å; F426-L430 HydrophobicContact CE2-CG 4.1Å; F426-L430 HydrophobicContact CG-CD1 4.39Å; F426-L430 HydrophobicContact CG-CG 4.44Å; F426-L430 HydrophobicContact CZ-CD1 3.98Å; F426-L430 HydrophobicContact CZ-CD2 3.88Å; F426-L430 HydrophobicContact CZ-CG 4.02Å; F426-L430 PolarHBondContact O-N 3.05Å; F426-F439 HydrophobicContact CE2-CD1 4.28Å; F426-F439 AromaticContact CE2-CE1 3.57Å; F426-F439 HydrophobicContact CE2-CE1 3.57Å; F426-F439 AromaticContact CE2-CZ 3.97Å; F426-F439 HydrophobicContact CE2-CZ 3.97Å; F426-F439 AromaticContact CZ-CE1 3.85Å; F426-F439 HydrophobicContact CZ-CE1 3.85Å; F426-F439 HydrophobicContact CZ-CZ 4.32Å; F426-Y520 AromaticContact CD1-CD2 4Å; F426-Y520 HydrophobicContact CD1-CD2 4Å; F426-Y520 AromaticContact CD1-CE2 3.66Å; F426-Y520 HydrophobicContact CD1-CE2 3.66Å; F426-Y520 HydrophobicContact CE1-CD2 4.05Å; F426-Y520 HydrophobicContact CE1-CE2 4.19Å; F426-M523 HydrophobicContact CE1-CB 3.96Å; F426-M523 HydrophobicContact CZ-CB 3.61Å; F426-M523 HydrophobicContact CZ-CE 4.17Å; F426-M523 HydrophobicContact CZ-SD 4.42Å; F426-K524 HydrophobicContact CB-CD 3.86Å; F426-K524 HydrophobicContact CB-CG 3.92Å; F426-K524 HydrophobicContact CD1-CB 3.65Å; F426-K524 HydrophobicContact CD1-CD 4.06Å; F426-K524 HydrophobicContact CD1-CG 3.97Å; F426-K524 HydrophobicContact CE1-CB 4.08Å; F426-K524 HydrophobicContact CG-CB 4.25Å; F426-K524 HydrophobicContact CG-CD 4.39Å; F426-K524 HydrophobicContact CG-CG 4.18Å; F426-F528 HydrophobicContact CB-CD1 3.93Å; F426-F528 HydrophobicContact CB-CE1 3.78Å; F426-F528 HydrophobicContact CB-CG 4.44Å; F426-F528 HydrophobicContact CB-CZ 4.15Å; F426-F528 HydrophobicContact CD2-CB 3.87Å; F426-F528 AromaticContact CD2-CD1 3.87Å; F426-F528 HydrophobicContact CD2-CD1 3.87Å; F426-F528 AromaticContact CD2-CD2 3.54Å; F426-F528 HydrophobicContact CD2-CD2 3.54Å; F426-F528 HydrophobicContact CD2-CE1 4.24Å; F426-F528 AromaticContact CD2-CE2 3.94Å; F426-F528 HydrophobicContact CD2-CE2 3.94Å; F426-F528 AromaticContact CD2-CG 3.48Å; F426-F528 HydrophobicContact CD2-CG 3.48Å; F426-F528 VanDerWaalsContact CD2-CG 3.48Å; F426-F528 HydrophobicContact CD2-CZ 4.26Å; F426-F528 HydrophobicContact CE2-CB 3.9Å; F426-F528 HydrophobicContact CE2-CD2 4.03Å; F426-F528 AromaticContact CE2-CG 3.99Å; F426-F528 HydrophobicContact CE2-CG 3.99Å; F426-F528 HydrophobicContact CG-CD1 4.11Å; F426-F528 HydrophobicContact CG-CE1 4.38Å; F426-F528 HydrophobicContact CG-CG 4.17Å
427	D	85	Confident	87.7	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.027	24%	0.236	C	C	.	.	H	α-helix	trans	-74.7	-17.9	175.9	-77	-85.3	0	0	0	114.7	V152 D425 N431 R459 Y520	V152-D427 HydrophobicContact CG1-CB 4.23Å; V152-D427 WeakPolarHBondContact CG1-OD2 3.41Å; V152-D427 HydrophobicContact CG2-CB 3.98Å; V152-D427 WeakPolarHBondContact CG2-OD1 3.45Å; V152-D427 WeakPolarHBondContact CG2-OD2 3.45Å; D425-D427 PolarHBondContact O-N 3.21Å; D427-N431 WeakPolarHBondContact O-CB 3.41Å; D427-N431 PolarHBondContact O-N 2.86Å; D427-N431 PolarHBondContact O-ND2 3.17Å; D427-R459 IonicContact OD1-CZ 2.98Å; D427-R459 IonicContact OD1-NH2 2.66Å; D427-R459 PolarHBondContact OD1-NH2 2.8Å; D427-Y520 WeakPolarHBondContact OD2-CE2 3.32Å; D427-Y520 VanDerWaalsContact OD2-CZ 3.25Å; D427-Y520 PolarHBondContact OD2-OH 3.32Å
428	N	86.1	Confident	88.6	Confident	62 Å²	62	41.1 Å²	41.1	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-70	-28.6	168	-68.9	-13.8	0	0	0	111	S421 D425 F426 D432	S421-N428 WeakPolarHBondContact O-CB 3.35Å; S421-N428 PolarHBondContact O-ND2 3.14Å; D425-N428 WeakPolarHBondContact O-CB 3.27Å; D425-N428 PolarHBondContact O-N 3.23Å; F426-N428 VanDerWaalsContact C-N 3.33Å; F426-N428 PolarHBondContact O-N 2.85Å; N428-D432 WeakPolarHBondContact O-CB 3.38Å
429	L	91.7	Very high	89.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-75.1	-53.3	169.9	-178.1	166.4	0	0	0	110.1	W422 F426 N431 D432 A435 C436 F439 F528 F531	W422-L429 HydrophobicContact CB-CB 4.38Å; F426-L429 HydrophobicContact CE2-CD2 4.34Å; F426-L429 WeakPolarHBondContact O-CB 3.48Å; F426-L429 PolarHBondContact O-N 2.84Å; F426-L429 VanDerWaalsContact O-N 3.12Å; L429-N431 PolarHBondContact O-N 3.04Å; L429-D432 PolarHBondContact O-N 2.78Å; L429-A435 HydrophobicContact CB-CB 4.22Å; L429-A435 HydrophobicContact CG-CB 3.82Å; L429-C436 PolarHBondContact O-SG 2.88Å; L429-C436 VanDerWaalsContact O-SG 3.42Å; L429-F439 HydrophobicContact CD1-CB 4.07Å; L429-F439 HydrophobicContact CD1-CD1 4.31Å; L429-F439 HydrophobicContact CD1-CD2 4.39Å; L429-F439 HydrophobicContact CD1-CG 4.02Å; L429-F439 HydrophobicContact CD2-CB 3.87Å; L429-F439 HydrophobicContact CD2-CD1 3.65Å; L429-F439 HydrophobicContact CD2-CE1 4.47Å; L429-F439 HydrophobicContact CD2-CG 3.97Å; L429-F439 HydrophobicContact CG-CB 4.39Å; L429-F528 HydrophobicContact CB-CE2 4.43Å; L429-F528 HydrophobicContact CD1-CD2 3.72Å; L429-F528 HydrophobicContact CD1-CE2 3.63Å; L429-F531 HydrophobicContact CD1-CD1 3.81Å; L429-F531 HydrophobicContact CD1-CE1 3.6Å
430	L	88.6	Confident	89.6	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-14	-176.4	-63.6	179.7	0	0	0	115	F426 L452 L455 R459 Y520	F426-L430 HydrophobicContact CD1-CD1 3.86Å; F426-L430 HydrophobicContact CD1-CG 4.35Å; F426-L430 HydrophobicContact CD2-CG 4.32Å; F426-L430 HydrophobicContact CE1-CD1 3.65Å; F426-L430 HydrophobicContact CE1-CD2 4.41Å; F426-L430 HydrophobicContact CE1-CG 4.16Å; F426-L430 HydrophobicContact CE2-CD1 4.48Å; F426-L430 HydrophobicContact CE2-CD2 4.06Å; F426-L430 HydrophobicContact CE2-CG 4.1Å; F426-L430 HydrophobicContact CG-CD1 4.39Å; F426-L430 HydrophobicContact CG-CG 4.44Å; F426-L430 HydrophobicContact CZ-CD1 3.98Å; F426-L430 HydrophobicContact CZ-CD2 3.88Å; F426-L430 HydrophobicContact CZ-CG 4.02Å; F426-L430 PolarHBondContact O-N 3.05Å; L430-L452 HydrophobicContact CD2-CD1 3.56Å; L430-L455 HydrophobicContact CD1-CD1 3.87Å; L430-R459 PolarHBondContact O-NH1 3.21Å; L430-Y520 HydrophobicContact CD1-CD2 3.93Å; L430-Y520 HydrophobicContact CD1-CE2 3.91Å
431	N	85.7	Confident	89.9	Confident	90 Å²	90	43.8 Å²	43.8	48%	0.481	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-0.8	175.4	-64.4	-41.3	0	0	0	113.7	D427 L429 R459	D427-N431 WeakPolarHBondContact O-CB 3.41Å; D427-N431 PolarHBondContact O-N 2.86Å; D427-N431 PolarHBondContact O-ND2 3.17Å; L429-N431 PolarHBondContact O-N 3.04Å; N431-R459 PolarHBondContact OD1-NH1 3.43Å
432	D	83.4	Confident	90.4	Very high	25 Å²	25	43.7 Å²	43.7	13%	0.134	23%	0.232	C	C	.	.			trans	-110.8	111.8	177.7	178.6	-25.7	0	0	0	109.2	S417 W422 N428 L429 V434 A435 C436	S417-D432 WeakPolarHBondContact CB-OD2 3.21Å; S417-D432 PolarHBondContact OG-OD1 3.33Å; S417-D432 PolarHBondContact OG-OD2 3.38Å; W422-D432 PolarHBondContact NE1-OD2 3.49Å; N428-D432 WeakPolarHBondContact O-CB 3.38Å; L429-D432 PolarHBondContact O-N 2.78Å; D432-V434 PolarHBondContact O-N 3.45Å; D432-V434 WeakPolarHBondContact OD1-CB 3.35Å; D432-V434 PolarHBondContact OD1-N 3.42Å; D432-A435 HydrophobicContact CB-CB 3.7Å; D432-A435 WeakPolarHBondContact O-CB 3.46Å; D432-A435 PolarHBondContact O-N 3.06Å; D432-A435 PolarHBondContact OD1-N 3.32Å; D432-C436 PolarHBondContact O-N 3.21Å
433	P	88.8	Confident	90.7	Very high	106 Å²	106	43.5 Å²	43.5	69%	0.688	23%	0.232	S	C	*	.	H	α-helix	trans	-57.9	-31	-177.7	-27.4	35.8	0	0	0	114.6	N437	P433-N437 WeakPolarHBondContact O-CB 3.45Å; P433-N437 PolarHBondContact O-N 3.28Å; P433-N437 VanDerWaalsContact O-N 3.1Å
434	V	90.3	Very high	91	Very high	73 Å²	73	45.9 Å²	45.9	44%	0.442	24%	0.237	S	C	.	.	H	α-helix	trans	-72.3	-42.4	177.2	-174.7	0	0	0	0	109.8	W422 D432 N437 E438	W422-V434 HydrophobicContact CH2-CG1 4.39Å; W422-V434 HydrophobicContact CZ2-CB 4.39Å; W422-V434 HydrophobicContact CZ2-CG1 4.16Å; D432-V434 PolarHBondContact O-N 3.45Å; D432-V434 WeakPolarHBondContact OD1-CB 3.35Å; D432-V434 PolarHBondContact OD1-N 3.42Å; V434-N437 WeakPolarHBondContact O-CB 3.41Å; V434-N437 PolarHBondContact O-N 3.41Å; V434-E438 PolarHBondContact O-N 2.67Å
435	A	91.1	Very high	91.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.9	0	0	0	0	0	111.8	W422 L429 D432 N437 E438 F439	W422-A435 HydrophobicContact CD2-CB 3.53Å; W422-A435 HydrophobicContact CE3-CB 4.14Å; W422-A435 HydrophobicContact CG-CB 3.75Å; W422-A435 HydrophobicContact CH2-CB 4.39Å; W422-A435 HydrophobicContact CZ2-CB 3.81Å; L429-A435 HydrophobicContact CB-CB 4.22Å; L429-A435 HydrophobicContact CG-CB 3.82Å; D432-A435 HydrophobicContact CB-CB 3.7Å; D432-A435 WeakPolarHBondContact O-CB 3.46Å; D432-A435 PolarHBondContact O-N 3.06Å; D432-A435 PolarHBondContact OD1-N 3.32Å; A435-N437 VanDerWaalsContact C-N 3.29Å; A435-N437 PolarHBondContact O-N 3.16Å; A435-E438 PolarHBondContact O-N 3.24Å; A435-F439 VanDerWaalsContact O-CB 3.31Å; A435-F439 WeakPolarHBondContact O-CB 3.5Å; A435-F439 PolarHBondContact O-N 2.84Å
436	C	93.2	Very high	91.9	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.081	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-39.8	172.1	-80.3	0	0	0	0	112.5	L429 D432 R440	L429-C436 PolarHBondContact O-SG 2.88Å; L429-C436 VanDerWaalsContact O-SG 3.42Å; D432-C436 PolarHBondContact O-N 3.21Å; C436-R440 WeakPolarHBondContact O-CB 3.32Å; C436-R440 PolarHBondContact O-N 3.13Å
437	N	95.2	Very high	92.1	Very high	76 Å²	76	52.8 Å²	52.8	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-67.4	-44.6	177.5	-174.9	68.2	0	0	0	112.5	P433 V434 A435 R440 K441	P433-N437 WeakPolarHBondContact O-CB 3.45Å; P433-N437 PolarHBondContact O-N 3.28Å; P433-N437 VanDerWaalsContact O-N 3.1Å; V434-N437 WeakPolarHBondContact O-CB 3.41Å; V434-N437 PolarHBondContact O-N 3.41Å; A435-N437 VanDerWaalsContact C-N 3.29Å; A435-N437 PolarHBondContact O-N 3.16Å; N437-R440 WeakPolarHBondContact O-CB 3.36Å; N437-R440 PolarHBondContact O-N 2.84Å; N437-K441 WeakPolarHBondContact ND2-CE 2.92Å; N437-K441 WeakPolarHBondContact O-CG 3.15Å; N437-K441 PolarHBondContact O-N 2.85Å; N437-K441 VanDerWaalsContact O-N 3.14Å
438	E	95.3	Very high	92.6	Very high	22 Å²	22	53.2 Å²	53.2	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-71.1	-33.3	178.6	-61.4	-50.4	128	0	0	112.7	W422 V434 A435 K441 F442 F531 N536 I540	W422-E438 HydrophobicContact CH2-CB 4.47Å; W422-E438 HydrophobicContact CH2-CG 4.23Å; W422-E438 HydrophobicContact CZ3-CB 4.37Å; V434-E438 PolarHBondContact O-N 2.67Å; A435-E438 PolarHBondContact O-N 3.24Å; E438-K441 WeakPolarHBondContact OE1-CE 3.49Å; E438-K441 IonicContact OE1-NZ 3.97Å; E438-K441 PolarHBondContact OE1-NZ 2.84Å; E438-K441 WeakPolarHBondContact OE2-CD 3.44Å; E438-K441 IonicContact OE2-NZ 3.82Å; E438-K441 PolarHBondContact OE2-NZ 2.84Å; E438-F442 PolarHBondContact O-N 3.42Å; E438-F531 HydrophobicContact CB-CE2 4.37Å; E438-F531 HydrophobicContact CB-CZ 4.29Å; E438-N536 PolarHBondContact OE2-ND2 3.06Å; E438-I540 HydrophobicContact CB-CD1 4.21Å; E438-I540 HydrophobicContact CG-CD1 3.78Å
439	F	96.7	Very high	93.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.4	-38.5	172.2	-172.1	-133	0	0	0	111.9	F426 L429 A435 K441 F442 L443 L452 M523 F528 F531	F426-F439 HydrophobicContact CE2-CD1 4.28Å; F426-F439 AromaticContact CE2-CE1 3.57Å; F426-F439 HydrophobicContact CE2-CE1 3.57Å; F426-F439 AromaticContact CE2-CZ 3.97Å; F426-F439 HydrophobicContact CE2-CZ 3.97Å; F426-F439 AromaticContact CZ-CE1 3.85Å; F426-F439 HydrophobicContact CZ-CE1 3.85Å; F426-F439 HydrophobicContact CZ-CZ 4.32Å; L429-F439 HydrophobicContact CD1-CB 4.07Å; L429-F439 HydrophobicContact CD1-CD1 4.31Å; L429-F439 HydrophobicContact CD1-CD2 4.39Å; L429-F439 HydrophobicContact CD1-CG 4.02Å; L429-F439 HydrophobicContact CD2-CB 3.87Å; L429-F439 HydrophobicContact CD2-CD1 3.65Å; L429-F439 HydrophobicContact CD2-CE1 4.47Å; L429-F439 HydrophobicContact CD2-CG 3.97Å; L429-F439 HydrophobicContact CG-CB 4.39Å; A435-F439 VanDerWaalsContact O-CB 3.31Å; A435-F439 WeakPolarHBondContact O-CB 3.5Å; A435-F439 PolarHBondContact O-N 2.84Å; F439-K441 PolarHBondContact O-N 3.38Å; F439-F442 HydrophobicContact CD2-CD1 4.08Å; F439-F442 HydrophobicContact CE2-CD1 4.05Å; F439-F442 HydrophobicContact CE2-CE1 4.47Å; F439-F442 WeakPolarHBondContact O-CB 3.43Å; F439-F442 PolarHBondContact O-N 2.84Å; F439-F442 VanDerWaalsContact O-N 3.16Å; F439-L443 HydrophobicContact CD1-CD1 3.9Å; F439-L443 HydrophobicContact CD1-CG 4.44Å; F439-L443 HydrophobicContact CD2-CG 4.27Å; F439-L443 HydrophobicContact CE1-CD1 3.67Å; F439-L443 HydrophobicContact CE1-CD2 4.43Å; F439-L443 HydrophobicContact CE1-CG 4.22Å; F439-L443 HydrophobicContact CE2-CD1 4.4Å; F439-L443 HydrophobicContact CE2-CD2 3.98Å; F439-L443 HydrophobicContact CE2-CG 4.05Å; F439-L443 HydrophobicContact CG-CD1 4.36Å; F439-L443 HydrophobicContact CG-CG 4.46Å; F439-L443 HydrophobicContact CZ-CD1 3.95Å; F439-L443 HydrophobicContact CZ-CD2 3.86Å; F439-L443 HydrophobicContact CZ-CG 4.03Å; F439-L443 WeakPolarHBondContact O-CG 3.25Å; F439-L443 PolarHBondContact O-N 3.42Å; F439-L452 HydrophobicContact CD1-CD1 4.38Å; F439-L452 HydrophobicContact CD1-CD2 4.01Å; F439-M523 HydrophobicContact CE1-SD 3.84Å; F439-M523 HydrophobicContact CZ-SD 4.26Å; F439-F528 HydrophobicContact CZ-CB 4.26Å; F439-F531 HydrophobicContact CB-CE2 4.33Å; F439-F531 HydrophobicContact CB-CZ 4.31Å; F439-F531 HydrophobicContact CD2-CB 3.66Å; F439-F531 AromaticContact CD2-CD1 3.93Å; F439-F531 HydrophobicContact CD2-CD1 3.93Å; F439-F531 AromaticContact CD2-CD2 3.86Å; F439-F531 HydrophobicContact CD2-CD2 3.86Å; F439-F531 HydrophobicContact CD2-CE2 4.46Å; F439-F531 AromaticContact CD2-CG 3.54Å; F439-F531 HydrophobicContact CD2-CG 3.54Å; F439-F531 HydrophobicContact CE2-CB 3.72Å; F439-F531 HydrophobicContact CE2-CG 4.12Å
440	R	97.4	Very high	93.4	Very high	68 Å²	68	53 Å²	53	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-55.9	-47.5	172.1	177	-177.1	-70.5	-85.3	0.1	111.8	C436 N437 F442 L443 I444 L452 D453	C436-R440 WeakPolarHBondContact O-CB 3.32Å; C436-R440 PolarHBondContact O-N 3.13Å; N437-R440 WeakPolarHBondContact O-CB 3.36Å; N437-R440 PolarHBondContact O-N 2.84Å; R440-F442 VanDerWaalsContact C-N 3.28Å; R440-F442 PolarHBondContact O-N 3.41Å; R440-L443 PolarHBondContact O-N 2.96Å; R440-I444 HydrophobicContact CG-CD1 4.04Å; R440-I444 VanDerWaalsContact O-CG1 3.3Å; R440-I444 WeakPolarHBondContact O-CG1 3.37Å; R440-I444 PolarHBondContact O-N 2.9Å; R440-L452 HydrophobicContact CB-CD2 3.86Å; R440-D453 IonicContact CZ-OD1 2.66Å; R440-D453 VanDerWaalsContact CZ-OD1 3.23Å; R440-D453 IonicContact CZ-OD2 3.6Å; R440-D453 IonicContact NH1-OD1 3.72Å; R440-D453 PolarHBondContact NH1-OD1 3.19Å; R440-D453 IonicContact NH1-OD2 2.92Å; R440-D453 PolarHBondContact NH1-OD2 2.79Å; R440-D453 IonicContact NH2-OD1 2.78Å; R440-D453 PolarHBondContact NH2-OD1 3.12Å; R440-D453 IonicContact NH2-OD2 3.64Å
441	K	95.4	Very high	93.8	Very high	103 Å²	103	53 Å²	53	45%	0.448	28%	0.275	S	S	.	.	H	α-helix	trans	-57	-43	176.2	-68.6	172.7	-172	171.3	0	111.9	N437 E438 F439 I444 T445	N437-K441 WeakPolarHBondContact ND2-CE 2.92Å; N437-K441 WeakPolarHBondContact O-CG 3.15Å; N437-K441 PolarHBondContact O-N 2.85Å; N437-K441 VanDerWaalsContact O-N 3.14Å; E438-K441 WeakPolarHBondContact OE1-CE 3.49Å; E438-K441 IonicContact OE1-NZ 3.97Å; E438-K441 PolarHBondContact OE1-NZ 2.84Å; E438-K441 WeakPolarHBondContact OE2-CD 3.44Å; E438-K441 IonicContact OE2-NZ 3.82Å; E438-K441 PolarHBondContact OE2-NZ 2.84Å; F439-K441 PolarHBondContact O-N 3.38Å; K441-I444 PolarHBondContact O-N 3.36Å; K441-T445 PolarHBondContact O-N 3.46Å
442	F	97	Very high	94.3	Very high	24 Å²	24	48.7 Å²	48.7	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-49.3	176.8	173.6	-94.2	0	0	0	111.9	E438 F439 R440 I444 T445 E446 S527 R530 F531	E438-F442 PolarHBondContact O-N 3.42Å; F439-F442 HydrophobicContact CD2-CD1 4.08Å; F439-F442 HydrophobicContact CE2-CD1 4.05Å; F439-F442 HydrophobicContact CE2-CE1 4.47Å; F439-F442 WeakPolarHBondContact O-CB 3.43Å; F439-F442 PolarHBondContact O-N 2.84Å; F439-F442 VanDerWaalsContact O-N 3.16Å; R440-F442 VanDerWaalsContact C-N 3.28Å; R440-F442 PolarHBondContact O-N 3.41Å; F442-I444 VanDerWaalsContact C-N 3.26Å; F442-I444 PolarHBondContact O-N 2.92Å; F442-T445 WeakPolarHBondContact O-CA 3.42Å; F442-T445 PolarHBondContact O-N 2.71Å; F442-T445 PolarHBondContact O-OG1 2.93Å; F442-E446 HydrophobicContact CE1-CG 4.07Å; F442-E446 WeakPolarHBondContact CE1-OE2 3.43Å; F442-E446 HydrophobicContact CE2-CG 4.44Å; F442-E446 HydrophobicContact CZ-CG 4Å; F442-E446 WeakPolarHBondContact CZ-OE1 3.48Å; F442-E446 WeakPolarHBondContact CZ-OE2 3.18Å; F442-E446 PolarHBondContact O-N 3.39Å; F442-S527 WeakPolarHBondContact CE1-O 3.35Å; F442-R530 HydrophobicContact CE1-CB 4.25Å; F442-R530 HydrophobicContact CZ-CB 3.64Å; F442-F531 HydrophobicContact CB-CD2 3.73Å; F442-F531 HydrophobicContact CB-CE2 4.32Å; F442-F531 HydrophobicContact CD1-CB 3.72Å; F442-F531 HydrophobicContact CD1-CD2 4.14Å; F442-F531 HydrophobicContact CD1-CG 4.38Å; F442-F531 HydrophobicContact CD2-CD2 4.27Å; F442-F531 HydrophobicContact CE1-CB 3.78Å; F442-F531 HydrophobicContact CG-CB 4.11Å; F442-F531 AromaticContact CG-CD2 3.78Å; F442-F531 HydrophobicContact CG-CD2 3.78Å; F442-F531 HydrophobicContact CG-CG 4.43Å; F442-F531 HydrophobicContact CZ-CB 4.22Å
443	L	96.9	Very high	94.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-30.1	177.7	-67.1	174.2	0	0	0	113.4	F439 R440 T445 E446 F447 S448 L452 M523 S527	F439-L443 HydrophobicContact CD1-CD1 3.9Å; F439-L443 HydrophobicContact CD1-CG 4.44Å; F439-L443 HydrophobicContact CD2-CG 4.27Å; F439-L443 HydrophobicContact CE1-CD1 3.67Å; F439-L443 HydrophobicContact CE1-CD2 4.43Å; F439-L443 HydrophobicContact CE1-CG 4.22Å; F439-L443 HydrophobicContact CE2-CD1 4.4Å; F439-L443 HydrophobicContact CE2-CD2 3.98Å; F439-L443 HydrophobicContact CE2-CG 4.05Å; F439-L443 HydrophobicContact CG-CD1 4.36Å; F439-L443 HydrophobicContact CG-CG 4.46Å; F439-L443 HydrophobicContact CZ-CD1 3.95Å; F439-L443 HydrophobicContact CZ-CD2 3.86Å; F439-L443 HydrophobicContact CZ-CG 4.03Å; F439-L443 WeakPolarHBondContact O-CG 3.25Å; F439-L443 PolarHBondContact O-N 3.42Å; R440-L443 PolarHBondContact O-N 2.96Å; L443-T445 VanDerWaalsContact C-N 3.33Å; L443-E446 CarbonylContact O-C 3.53Å; L443-E446 PolarHBondContact O-N 3.41Å; L443-F447 PolarHBondContact O-N 3.27Å; L443-S448 PolarHBondContact O-N 3.35Å; L443-L452 HydrophobicContact CD1-CB 3.54Å; L443-L452 HydrophobicContact CD1-CD2 3.98Å; L443-L452 HydrophobicContact CD1-CG 4.37Å; L443-M523 HydrophobicContact CD1-SD 3.78Å; L443-S527 VanDerWaalsContact CD2-CB 3.47Å
444	I	95.5	Very high	95.3	Very high	94 Å²	94	43.8 Å²	43.8	48%	0.482	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-41.1	171.3	-70.5	164.8	0	0	0	110.7	R440 K441 F442 E446 F447	R440-I444 HydrophobicContact CG-CD1 4.04Å; R440-I444 VanDerWaalsContact O-CG1 3.3Å; R440-I444 WeakPolarHBondContact O-CG1 3.37Å; R440-I444 PolarHBondContact O-N 2.9Å; K441-I444 PolarHBondContact O-N 3.36Å; F442-I444 VanDerWaalsContact C-N 3.26Å; F442-I444 PolarHBondContact O-N 2.92Å; I444-E446 PolarHBondContact O-N 2.92Å; I444-F447 PolarHBondContact O-N 3.26Å
445	T	94.4	Very high	95.5	Very high	103 Å²	103	40.3 Å²	40.3	63%	0.632	20%	0.199	S	C	*	.	H	α-helix	trans	-70.5	-18.3	175.3	63.3	0	0	0	0	113.8	K441 F442 L443	K441-T445 PolarHBondContact O-N 3.46Å; F442-T445 WeakPolarHBondContact O-CA 3.42Å; F442-T445 PolarHBondContact O-N 2.71Å; F442-T445 PolarHBondContact O-OG1 2.93Å; L443-T445 VanDerWaalsContact C-N 3.33Å
446	E	93.8	Very high	95.5	Very high	50 Å²	50	42.5 Å²	42.5	23%	0.234	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	13.3	175.1	-56.7	-159.9	139.9	0	0	113.1	F442 L443 I444 S448 R530	F442-E446 HydrophobicContact CE1-CG 4.07Å; F442-E446 WeakPolarHBondContact CE1-OE2 3.43Å; F442-E446 HydrophobicContact CE2-CG 4.44Å; F442-E446 HydrophobicContact CZ-CG 4Å; F442-E446 WeakPolarHBondContact CZ-OE1 3.48Å; F442-E446 WeakPolarHBondContact CZ-OE2 3.18Å; F442-E446 PolarHBondContact O-N 3.39Å; L443-E446 CarbonylContact O-C 3.53Å; L443-E446 PolarHBondContact O-N 3.41Å; I444-E446 PolarHBondContact O-N 2.92Å; E446-S448 PolarHBondContact O-N 2.89Å; E446-S448 VanDerWaalsContact O-N 3.15Å; E446-S448 PolarHBondContact O-OG 3.26Å; E446-R530 IonicContact OE1-CZ 3.45Å; E446-R530 IonicContact OE1-NE 3.82Å; E446-R530 IonicContact OE1-NH1 2.67Å; E446-R530 PolarHBondContact OE1-NH1 2.74Å; E446-R530 IonicContact OE2-CZ 3.22Å; E446-R530 IonicContact OE2-NE 3.8Å; E446-R530 IonicContact OE2-NH1 2.98Å; E446-R530 PolarHBondContact OE2-NH1 3.36Å; E446-R530 IonicContact OE2-NH2 3.6Å
447	F	92.6	Very high	95.6	Very high	188 Å²	188	43.4 Å²	43.4	83%	0.825	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	41.2	-179.3	-58	-89.8	0	0	0	114.2	L443 I444	L443-F447 PolarHBondContact O-N 3.27Å; I444-F447 PolarHBondContact O-N 3.26Å
448	S	95.9	Very high	95.4	Very high	15 Å²	15	39.9 Å²	39.9	11%	0.105	20%	0.198	C	C	.	.			trans	-140	23.1	-172.3	48.2	0	0	0	0	114	L443 E446 E450 N451	L443-S448 PolarHBondContact O-N 3.35Å; E446-S448 PolarHBondContact O-N 2.89Å; E446-S448 VanDerWaalsContact O-N 3.15Å; E446-S448 PolarHBondContact O-OG 3.26Å; S448-E450 VanDerWaalsContact C-N 3.34Å; S448-E450 VanDerWaalsContact CA-OE1 3.31Å; S448-E450 WeakPolarHBondContact CA-OE1 3.38Å; S448-E450 VanDerWaalsContact CA-OE2 3.25Å; S448-E450 WeakPolarHBondContact CA-OE2 3.5Å; S448-E450 PolarHBondContact O-N 2.89Å; S448-N451 PolarHBondContact O-N 3.13Å; S448-N451 PolarHBondContact O-ND2 3.13Å
449	S	96.2	Very high	95	Very high	23 Å²	23	40.8 Å²	40.8	16%	0.161	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.9	-175.9	54.4	0	0	0	0	114.3	N451 L452 D453	S449-N451 PolarHBondContact O-N 2.82Å; S449-L452 PolarHBondContact O-N 3.09Å; S449-L452 VanDerWaalsContact O-N 3.1Å; S449-D453 PolarHBondContact O-N 2.8Å
450	E	97	Very high	94.5	Very high	34 Å²	34	44.5 Å²	44.5	16%	0.159	22%	0.224	C	C	.	.	H	α-helix	trans	-57.9	-32.6	174.2	69.7	-58.4	141.3	0	0	112.8	S448 L452 D453 F454 Q488 V490	S448-E450 VanDerWaalsContact C-N 3.34Å; S448-E450 VanDerWaalsContact CA-OE1 3.31Å; S448-E450 WeakPolarHBondContact CA-OE1 3.38Å; S448-E450 VanDerWaalsContact CA-OE2 3.25Å; S448-E450 WeakPolarHBondContact CA-OE2 3.5Å; S448-E450 PolarHBondContact O-N 2.89Å; E450-L452 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 2.6Å; E450-D453 PolarHBondContact O-N 3.49Å; E450-F454 WeakPolarHBondContact O-CB 3.4Å; E450-F454 PolarHBondContact O-N 2.44Å; E450-Q488 HydrophobicContact CB-CB 3.84Å; E450-Q488 HydrophobicContact CB-CG 4.45Å; E450-V490 HydrophobicContact CG-CG1 4.22Å
451	N	97	Very high	94	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-42.1	174.5	-62	-66.7	0	0	0	112.3	S448 S449 L455 V519 M523	S448-N451 PolarHBondContact O-N 3.13Å; S448-N451 PolarHBondContact O-ND2 3.13Å; S449-N451 PolarHBondContact O-N 2.82Å; N451-L455 WeakPolarHBondContact O-CG 3.42Å; N451-L455 PolarHBondContact O-N 3.42Å; N451-L455 VanDerWaalsContact O-N 3.15Å; N451-V519 HydrophobicContact CB-CG1 3.59Å; N451-V519 WeakPolarHBondContact O-CG1 3.25Å; N451-M523 HydrophobicContact CB-CE 3.99Å; N451-M523 HydrophobicContact CB-CG 3.76Å; N451-M523 HydrophobicContact CB-SD 3.59Å; N451-M523 VanDerWaalsContact CB-SD 3.59Å; N451-M523 WeakPolarHBondContact O-CE 3.09Å
452	L	96.7	Very high	93.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-75.1	-38.8	177.4	-179.7	62.8	0	0	0	111.6	L430 F439 R440 L443 S449 E450 F454 L455 L456 M523	L430-L452 HydrophobicContact CD2-CD1 3.56Å; F439-L452 HydrophobicContact CD1-CD1 4.38Å; F439-L452 HydrophobicContact CD1-CD2 4.01Å; R440-L452 HydrophobicContact CB-CD2 3.86Å; L443-L452 HydrophobicContact CD1-CB 3.54Å; L443-L452 HydrophobicContact CD1-CD2 3.98Å; L443-L452 HydrophobicContact CD1-CG 4.37Å; S449-L452 PolarHBondContact O-N 3.09Å; S449-L452 VanDerWaalsContact O-N 3.1Å; E450-L452 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 2.6Å; L452-F454 VanDerWaalsContact C-N 3.3Å; L452-F454 PolarHBondContact O-N 3.1Å; L452-L455 PolarHBondContact O-N 3.25Å; L452-L456 HydrophobicContact CD1-CD1 4.05Å; L452-L456 HydrophobicContact CD1-CG 4.12Å; L452-L456 HydrophobicContact CG-CD1 3.93Å; L452-L456 HydrophobicContact CG-CG 4.4Å; L452-L456 WeakPolarHBondContact O-CB 3.46Å; L452-L456 VanDerWaalsContact O-CG 3.27Å; L452-L456 WeakPolarHBondContact O-CG 3.22Å; L452-L456 PolarHBondContact O-N 2.74Å; L452-M523 HydrophobicContact CB-CE 4.34Å; L452-M523 HydrophobicContact CB-SD 4.05Å
453	D	96.4	Very high	92.3	Very high	28 Å²	28	44.3 Å²	44.3	15%	0.15	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-38.7	173.5	-88.8	-43.8	0	0	0	112.4	R440 S449 E450 S457 F481	R440-D453 IonicContact CZ-OD1 2.66Å; R440-D453 VanDerWaalsContact CZ-OD1 3.23Å; R440-D453 IonicContact CZ-OD2 3.6Å; R440-D453 IonicContact NH1-OD1 3.72Å; R440-D453 PolarHBondContact NH1-OD1 3.19Å; R440-D453 IonicContact NH1-OD2 2.92Å; R440-D453 PolarHBondContact NH1-OD2 2.79Å; R440-D453 IonicContact NH2-OD1 2.78Å; R440-D453 PolarHBondContact NH2-OD1 3.12Å; R440-D453 IonicContact NH2-OD2 3.64Å; S449-D453 PolarHBondContact O-N 2.8Å; E450-D453 PolarHBondContact O-N 3.49Å; D453-S457 VanDerWaalsContact O-CB 3.23Å; D453-S457 WeakPolarHBondContact O-CB 3.32Å; D453-S457 PolarHBondContact O-N 2.92Å; D453-S457 PolarHBondContact O-OG 3.07Å; D453-F481 HydrophobicContact CB-CE1 3.71Å; D453-F481 HydrophobicContact CB-CZ 3.85Å
454	F	97	Very high	91.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-51.2	174.3	176.6	-111	0	0	0	111.7	E450 L452 L456 S457 V458 I477 F481 L482 V490 F512 A515 V519	E450-F454 WeakPolarHBondContact O-CB 3.4Å; E450-F454 PolarHBondContact O-N 2.44Å; L452-F454 VanDerWaalsContact C-N 3.3Å; L452-F454 PolarHBondContact O-N 3.1Å; F454-L456 VanDerWaalsContact C-N 3.31Å; F454-L456 PolarHBondContact O-N 2.88Å; F454-S457 WeakPolarHBondContact O-CB 3.44Å; F454-S457 PolarHBondContact O-N 2.9Å; F454-S457 VanDerWaalsContact O-N 3.1Å; F454-V458 HydrophobicContact CD2-CG2 4.02Å; F454-V458 HydrophobicContact CE1-CG2 4.1Å; F454-V458 HydrophobicContact CE2-CG2 3.54Å; F454-V458 HydrophobicContact CG-CG2 4.48Å; F454-V458 HydrophobicContact CZ-CG2 3.58Å; F454-V458 WeakPolarHBondContact O-CG2 3.11Å; F454-V458 PolarHBondContact O-N 2.8Å; F454-I477 HydrophobicContact CD2-CG2 4.42Å; F454-I477 HydrophobicContact CE2-CG2 4.12Å; F454-F481 HydrophobicContact CB-CB 4.38Å; F454-F481 HydrophobicContact CB-CD1 3.8Å; F454-F481 HydrophobicContact CB-CD2 4.45Å; F454-F481 HydrophobicContact CB-CE1 4.1Å; F454-F481 HydrophobicContact CB-CG 3.99Å; F454-F481 HydrophobicContact CD2-CB 3.55Å; F454-F481 HydrophobicContact CD2-CD1 4.39Å; F454-F481 AromaticContact CD2-CD2 3.84Å; F454-F481 HydrophobicContact CD2-CD2 3.84Å; F454-F481 AromaticContact CD2-CG 3.71Å; F454-F481 HydrophobicContact CD2-CG 3.71Å; F454-F481 HydrophobicContact CE2-CB 4.24Å; F454-F481 HydrophobicContact CG-CB 4.26Å; F454-F481 HydrophobicContact CG-CG 4.29Å; F454-L482 HydrophobicContact CE2-CD1 4.26Å; F454-L482 HydrophobicContact CE2-CD2 3.85Å; F454-L482 HydrophobicContact CE2-CG 4.18Å; F454-L482 HydrophobicContact CZ-CD2 3.97Å; F454-V490 HydrophobicContact CB-CG1 3.68Å; F454-V490 HydrophobicContact CD1-CG1 4.37Å; F454-V490 HydrophobicContact CD1-CG2 4.29Å; F454-V490 HydrophobicContact CG-CG1 4.07Å; F454-V490 HydrophobicContact CG-CG2 4.34Å; F454-F512 HydrophobicContact CZ-CB 4.47Å; F454-A515 HydrophobicContact CE1-CB 3.95Å; F454-A515 HydrophobicContact CZ-CB 3.65Å; F454-V519 HydrophobicContact CD1-CB 4Å; F454-V519 HydrophobicContact CD1-CG1 4.13Å; F454-V519 HydrophobicContact CD1-CG2 3.72Å; F454-V519 HydrophobicContact CE1-CB 4.35Å; F454-V519 HydrophobicContact CE1-CG2 3.95Å
455	L	94.3	Very high	90.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-42.4	177.8	-70.2	-162.7	0	0	0	112.4	L430 N451 L452 S457 V458 R459 E516 V519 Y520 M523	L430-L455 HydrophobicContact CD1-CD1 3.87Å; N451-L455 WeakPolarHBondContact O-CG 3.42Å; N451-L455 PolarHBondContact O-N 3.42Å; N451-L455 VanDerWaalsContact O-N 3.15Å; L452-L455 PolarHBondContact O-N 3.25Å; L455-S457 VanDerWaalsContact C-N 3.34Å; L455-V458 PolarHBondContact O-N 2.81Å; L455-R459 WeakPolarHBondContact O-CB 3.25Å; L455-R459 VanDerWaalsContact O-CG 3.25Å; L455-R459 WeakPolarHBondContact O-CG 3.41Å; L455-R459 PolarHBondContact O-N 2.65Å; L455-E516 HydrophobicContact CD2-CB 4.45Å; L455-E516 HydrophobicContact CD2-CG 3.52Å; L455-V519 HydrophobicContact CD2-CB 4.09Å; L455-V519 HydrophobicContact CD2-CG1 4.07Å; L455-V519 HydrophobicContact CG-CG1 4.1Å; L455-Y520 HydrophobicContact CD1-CD2 4.19Å; L455-M523 HydrophobicContact CB-CE 4.45Å; L455-M523 HydrophobicContact CD1-CE 3.26Å; L455-M523 HydrophobicContact CG-CE 3.64Å
456	L	92.1	Very high	89.1	Confident	46 Å²	46	46.5 Å²	46.5	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-34.4	177.5	-67.5	174	0	0	0	111.9	L452 F454 R459 T460	L452-L456 HydrophobicContact CD1-CD1 4.05Å; L452-L456 HydrophobicContact CD1-CG 4.12Å; L452-L456 HydrophobicContact CG-CD1 3.93Å; L452-L456 HydrophobicContact CG-CG 4.4Å; L452-L456 WeakPolarHBondContact O-CB 3.46Å; L452-L456 VanDerWaalsContact O-CG 3.27Å; L452-L456 WeakPolarHBondContact O-CG 3.22Å; L452-L456 PolarHBondContact O-N 2.74Å; F454-L456 VanDerWaalsContact C-N 3.31Å; F454-L456 PolarHBondContact O-N 2.88Å; L456-R459 PolarHBondContact O-N 3.03Å; L456-T460 WeakPolarHBondContact O-CB 3.45Å; L456-T460 PolarHBondContact O-N 2.92Å; L456-T460 PolarHBondContact O-OG1 3.46Å
457	S	94.4	Very high	87.9	Confident	30 Å²	30	49.7 Å²	49.7	21%	0.21	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-42.6	173.6	-61.3	0	0	0	0	112	D453 F454 L455 T460 W461 F481	D453-S457 VanDerWaalsContact O-CB 3.23Å; D453-S457 WeakPolarHBondContact O-CB 3.32Å; D453-S457 PolarHBondContact O-N 2.92Å; D453-S457 PolarHBondContact O-OG 3.07Å; F454-S457 WeakPolarHBondContact O-CB 3.44Å; F454-S457 PolarHBondContact O-N 2.9Å; F454-S457 VanDerWaalsContact O-N 3.1Å; L455-S457 VanDerWaalsContact C-N 3.34Å; S457-T460 PolarHBondContact O-N 2.78Å; S457-W461 VanDerWaalsContact O-CB 3.27Å; S457-W461 WeakPolarHBondContact O-CB 3.34Å; S457-W461 PolarHBondContact O-N 2.84Å; S457-F481 WeakPolarHBondContact OG-CE2 3.39Å
458	V	90.4	Very high	86.6	Confident	2 Å²	2	43 Å²	43	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-34	175.8	175.5	0	0	0	0	111.9	F454 L455 W461 R462 F512 E516	F454-V458 HydrophobicContact CD2-CG2 4.02Å; F454-V458 HydrophobicContact CE1-CG2 4.1Å; F454-V458 HydrophobicContact CE2-CG2 3.54Å; F454-V458 HydrophobicContact CG-CG2 4.48Å; F454-V458 HydrophobicContact CZ-CG2 3.58Å; F454-V458 WeakPolarHBondContact O-CG2 3.11Å; F454-V458 PolarHBondContact O-N 2.8Å; L455-V458 PolarHBondContact O-N 2.81Å; V458-W461 WeakPolarHBondContact O-CB 3.2Å; V458-R462 PolarHBondContact O-N 2.89Å; V458-F512 HydrophobicContact CG1-CB 3.98Å; V458-F512 HydrophobicContact CG2-CB 3.79Å; V458-F512 HydrophobicContact CG2-CD2 4.31Å; V458-F512 HydrophobicContact CG2-CG 4.16Å; V458-E516 HydrophobicContact CG1-CB 4.22Å; V458-E516 HydrophobicContact CG1-CG 4.1Å
459	R	87.2	Confident	85.8	Confident	41 Å²	41	47.5 Å²	47.5	16%	0.155	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-50	169.1	-75.7	171.4	178	-126.9	-11.3	111.2	D427 L430 N431 L455 L456 R462 H463	D427-R459 IonicContact OD1-CZ 2.98Å; D427-R459 IonicContact OD1-NH2 2.66Å; D427-R459 PolarHBondContact OD1-NH2 2.8Å; L430-R459 PolarHBondContact O-NH1 3.21Å; N431-R459 PolarHBondContact OD1-NH1 3.43Å; L455-R459 WeakPolarHBondContact O-CB 3.25Å; L455-R459 VanDerWaalsContact O-CG 3.25Å; L455-R459 WeakPolarHBondContact O-CG 3.41Å; L455-R459 PolarHBondContact O-N 2.65Å; L456-R459 PolarHBondContact O-N 3.03Å; R459-R462 PolarHBondContact O-N 2.83Å; R459-H463 PolarHBondContact O-ND1 2.91Å
460	T	86.6	Confident	85.3	Confident	79 Å²	79	48.1 Å²	48.1	49%	0.485	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-46.1	177	-57.8	0	0	0	0	111.7	L456 S457 R462 H463 V464	L456-T460 WeakPolarHBondContact O-CB 3.45Å; L456-T460 PolarHBondContact O-N 2.92Å; L456-T460 PolarHBondContact O-OG1 3.46Å; S457-T460 PolarHBondContact O-N 2.78Å; T460-R462 VanDerWaalsContact C-N 3.32Å; T460-R462 PolarHBondContact O-N 2.83Å; T460-H463 PolarHBondContact O-N 2.83Å; T460-V464 HydrophobicContact CG2-CG1 4.39Å; T460-V464 PolarHBondContact O-N 2.82Å; T460-V464 VanDerWaalsContact O-N 3.1Å
461	W	86.4	Confident	85	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-46.9	-50.8	175.3	160.2	-102.2	0	0	0	112.7	S457 V458 H463 V464 F465 V470 K473 A474 I477 P507 V509 M511 F512	S457-W461 VanDerWaalsContact O-CB 3.27Å; S457-W461 WeakPolarHBondContact O-CB 3.34Å; S457-W461 PolarHBondContact O-N 2.84Å; V458-W461 WeakPolarHBondContact O-CB 3.2Å; W461-H463 PolarHBondContact O-N 3.35Å; W461-V464 PolarHBondContact O-N 2.82Å; W461-V464 VanDerWaalsContact O-N 3.14Å; W461-F465 AromaticContact CE2-CD2 3.84Å; W461-F465 AromaticContact CH2-CD2 3.73Å; W461-F465 HydrophobicContact CH2-CD2 3.73Å; W461-F465 AromaticContact CH2-CE2 3.9Å; W461-F465 HydrophobicContact CH2-CE2 3.9Å; W461-F465 AromaticContact CZ2-CD2 3.43Å; W461-F465 HydrophobicContact CZ2-CD2 3.43Å; W461-F465 VanDerWaalsContact CZ2-CD2 3.43Å; W461-F465 AromaticContact CZ2-CE2 3.64Å; W461-F465 HydrophobicContact CZ2-CE2 3.64Å; W461-F465 HydrophobicContact CZ3-CD2 4.37Å; W461-F465 WeakPolarHBondContact O-CB 3.42Å; W461-F465 PolarHBondContact O-N 2.88Å; W461-V470 HydrophobicContact CH2-CG1 3.53Å; W461-V470 HydrophobicContact CZ2-CG1 4.43Å; W461-V470 HydrophobicContact CZ3-CG1 4.01Å; W461-V470 WeakPolarHBondContact CZ3-O 3.23Å; W461-K473 HydrophobicContact CE3-CB 4.14Å; W461-K473 HydrophobicContact CE3-CG 4.05Å; W461-K473 HydrophobicContact CZ3-CB 4.02Å; W461-K473 HydrophobicContact CZ3-CG 4.45Å; W461-A474 HydrophobicContact CH2-CB 3.72Å; W461-A474 HydrophobicContact CZ3-CB 3.92Å; W461-I477 HydrophobicContact CB-CD1 3.7Å; W461-I477 HydrophobicContact CD2-CD1 4.43Å; W461-I477 HydrophobicContact CE3-CD1 4.27Å; W461-I477 HydrophobicContact CG-CD1 4.24Å; W461-P507 HydrophobicContact CH2-CB 3.83Å; W461-P507 HydrophobicContact CZ2-CB 4.23Å; W461-V509 PolarHBondContact NE1-O 3.02Å; W461-V509 VanDerWaalsContact NE1-O 3.08Å; W461-M511 HydrophobicContact CH2-SD 4.03Å; W461-M511 HydrophobicContact CZ2-CG 3.95Å; W461-M511 HydrophobicContact CZ2-SD 3.61Å; W461-F512 AromaticContact CD1-CD2 3.8Å; W461-F512 HydrophobicContact CD2-CD2 4.27Å; W461-F512 AromaticContact CD2-CE2 3.91Å; W461-F512 HydrophobicContact CD2-CE2 3.91Å; W461-F512 AromaticContact CE2-CE2 3.79Å; W461-F512 HydrophobicContact CE3-CE2 4.41Å; W461-F512 HydrophobicContact CG-CD2 4.14Å; W461-F512 HydrophobicContact CG-CE2 4.18Å; W461-F512 HydrophobicContact CZ2-CE2 4.16Å; W461-F512 AromaticContact NE1-CD2 3.73Å
462	R	80.7	Confident	84.7	Confident	47 Å²	47	57.3 Å²	57.3	18%	0.177	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-26.1	179.6	-70.8	-173.7	-70.2	-129.3	-22.4	114.1	H151 V458 R459 T460 V509 E516	H151-R462 PolarHBondContact CD2-NH1 3.44Å; H151-R462 PolarHBondContact CE1-NH1 2.96Å; H151-R462 PolarHBondContact NE2-NH1 2.52Å; V458-R462 PolarHBondContact O-N 2.89Å; R459-R462 PolarHBondContact O-N 2.83Å; T460-R462 VanDerWaalsContact C-N 3.32Å; T460-R462 PolarHBondContact O-N 2.83Å; R462-V509 HydrophobicContact CB-CG2 4.1Å; R462-V509 HydrophobicContact CG-CG2 3.76Å; R462-E516 IonicContact CZ-OE1 2.69Å; R462-E516 IonicContact CZ-OE2 2.88Å; R462-E516 VanDerWaalsContact CZ-OE2 3.28Å; R462-E516 IonicContact NH1-OE1 2.88Å; R462-E516 IonicContact NH1-OE2 3.34Å; R462-E516 PolarHBondContact NH1-OE2 2.83Å; R462-E516 VanDerWaalsContact NH2-CD 3.27Å; R462-E516 IonicContact NH2-OE1 3.74Å; R462-E516 PolarHBondContact NH2-OE1 2.8Å; R462-E516 IonicContact NH2-OE2 2.86Å; R462-E516 PolarHBondContact NH2-OE2 2.82Å; R462-E516 VanDerWaalsContact NH2-OE2 3.15Å
463	H	76.5	Confident	84.4	Confident	141 Å²	141	61 Å²	61	65%	0.653	32%	0.317	S	S	*	.	H	α-helix	trans	-83.9	-23.1	176.8	-66	75	0	0	0	112.9	R459 T460 W461	R459-H463 PolarHBondContact O-ND1 2.91Å; T460-H463 PolarHBondContact O-N 2.83Å; W461-H463 PolarHBondContact O-N 3.35Å
464	V	76.5	Confident	84.3	Confident	52 Å²	52	59.7 Å²	59.7	32%	0.315	31%	0.31	S	S	.	.	H	α-helix	trans	-106.9	0.7	-179.8	-53.7	0	0	0	0	114	T460 W461 E466 T467 G468 K473	T460-V464 HydrophobicContact CG2-CG1 4.39Å; T460-V464 PolarHBondContact O-N 2.82Å; T460-V464 VanDerWaalsContact O-N 3.1Å; W461-V464 PolarHBondContact O-N 2.82Å; W461-V464 VanDerWaalsContact O-N 3.14Å; V464-E466 PolarHBondContact O-N 3Å; V464-T467 WeakPolarHBondContact CA-OG1 3.4Å; V464-T467 PolarHBondContact O-N 2.82Å; V464-T467 PolarHBondContact O-OG1 3.19Å; V464-G468 PolarHBondContact O-N 2.84Å; V464-K473 HydrophobicContact CG2-CG 4.46Å
465	F	75.1	Confident	84.1	Confident	42 Å²	42	62.3 Å²	62.3	18%	0.184	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33	-177.9	-176.8	-94.3	0	0	0	112.8	W461 V470 H508 V509	W461-F465 AromaticContact CE2-CD2 3.84Å; W461-F465 AromaticContact CH2-CD2 3.73Å; W461-F465 HydrophobicContact CH2-CD2 3.73Å; W461-F465 AromaticContact CH2-CE2 3.9Å; W461-F465 HydrophobicContact CH2-CE2 3.9Å; W461-F465 AromaticContact CZ2-CD2 3.43Å; W461-F465 HydrophobicContact CZ2-CD2 3.43Å; W461-F465 VanDerWaalsContact CZ2-CD2 3.43Å; W461-F465 AromaticContact CZ2-CE2 3.64Å; W461-F465 HydrophobicContact CZ2-CE2 3.64Å; W461-F465 HydrophobicContact CZ3-CD2 4.37Å; W461-F465 WeakPolarHBondContact O-CB 3.42Å; W461-F465 PolarHBondContact O-N 2.88Å; F465-V470 HydrophobicContact CD2-CG1 3.69Å; F465-V470 HydrophobicContact CE2-CG1 3.31Å; F465-V470 HydrophobicContact CZ-CG1 4Å; F465-V470 WeakPolarHBondContact O-CG2 3.29Å; F465-H508 VanDerWaalsContact CE2-C 3.4Å; F465-V509 HydrophobicContact CB-CG2 4.35Å; F465-V509 HydrophobicContact CD1-CB 3.96Å; F465-V509 HydrophobicContact CD2-CB 4.29Å; F465-V509 HydrophobicContact CE1-CB 4.3Å; F465-V509 HydrophobicContact CG-CB 3.99Å; F465-V509 HydrophobicContact CG-CG2 4.29Å
466	E	67.6	Low	84.2	Confident	150 Å²	150	65.6 Å²	65.6	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-4.6	-175.4	-59.2	-177.6	161.6	0	0	113.3	V464	V464-E466 PolarHBondContact O-N 3Å
467	T	68.6	Low	84.3	Confident	116 Å²	116	63.6 Å²	63.6	71%	0.712	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-0.4	-166.6	56	0	0	0	0	115.5	V464	V464-T467 WeakPolarHBondContact CA-OG1 3.4Å; V464-T467 PolarHBondContact O-N 2.82Å; V464-T467 PolarHBondContact O-OG1 3.19Å
468	G	65.8	Low	84.4	Confident	47 Å²	47	63 Å²	63	49%	0.485	32%	0.322	S	S	.	.	S	Bend	trans	-142.1	-175	-173.6	0	0	0	0	0	115.4	V464 V470	V464-G468 PolarHBondContact O-N 2.84Å; G468-V470 VanDerWaalsContact C-N 3.29Å; G468-V470 WeakPolarHBondContact O-CG2 3.5Å; G468-V470 PolarHBondContact O-N 3.06Å
469	N	79.5	Confident	84.7	Confident	110 Å²	110	67.2 Å²	67.2	59%	0.588	34%	0.344	S	S	*	.			trans	-72.5	86.3	173.5	-173.6	-27	0	0	0	110.2	K471 K472 K473	N469-K471 VanDerWaalsContact C-N 3.33Å; N469-K471 PolarHBondContact O-N 3.09Å; N469-K471 PolarHBondContact OD1-N 2.85Å; N469-K472 HydrophobicContact CB-CB 4.09Å; N469-K472 PolarHBondContact O-N 2.95Å; N469-K472 PolarHBondContact OD1-N 3.02Å; N469-K473 PolarHBondContact O-N 2.97Å
470	V	86	Confident	85.1	Confident	37 Å²	37	69.2 Å²	69.2	22%	0.224	35%	0.354	C	S	.	.	H	α-helix	trans	-53.4	-46	-175.4	-171.2	0	0	0	0	112.1	W461 F465 G468 K473 A474 P507	W461-V470 HydrophobicContact CH2-CG1 3.53Å; W461-V470 HydrophobicContact CZ2-CG1 4.43Å; W461-V470 HydrophobicContact CZ3-CG1 4.01Å; W461-V470 WeakPolarHBondContact CZ3-O 3.23Å; F465-V470 HydrophobicContact CD2-CG1 3.69Å; F465-V470 HydrophobicContact CE2-CG1 3.31Å; F465-V470 HydrophobicContact CZ-CG1 4Å; F465-V470 WeakPolarHBondContact O-CG2 3.29Å; G468-V470 VanDerWaalsContact C-N 3.29Å; G468-V470 WeakPolarHBondContact O-CG2 3.5Å; G468-V470 PolarHBondContact O-N 3.06Å; V470-K473 PolarHBondContact O-N 2.89Å; V470-A474 WeakPolarHBondContact O-CB 3.44Å; V470-A474 PolarHBondContact O-N 2.86Å; V470-P507 HydrophobicContact CG1-CB 3.83Å; V470-P507 HydrophobicContact CG1-CG 4.47Å
471	K	89.9	Confident	85.6	Confident	109 Å²	109	65.5 Å²	65.5	47%	0.474	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-42.3	-179.7	-62	-159.4	-174.5	-165	0	111.7	N469 A474 N475 S505 P507	N469-K471 VanDerWaalsContact C-N 3.33Å; N469-K471 PolarHBondContact O-N 3.09Å; N469-K471 PolarHBondContact OD1-N 2.85Å; K471-A474 PolarHBondContact O-N 3.05Å; K471-N475 PolarHBondContact O-N 2.78Å; K471-N475 PolarHBondContact O-ND2 3.31Å; K471-S505 VanDerWaalsContact CE-O 3.32Å; K471-S505 WeakPolarHBondContact CE-O 3.49Å; K471-S505 PolarHBondContact NZ-O 2.84Å; K471-P507 HydrophobicContact CG-CG 4.14Å
472	K	90.9	Very high	86.1	Confident	124 Å²	124	65.5 Å²	65.5	54%	0.539	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-48.4	175.1	-165.9	-172.1	-174.9	-116.6	0	111	N469 A474 N475 E476	N469-K472 HydrophobicContact CB-CB 4.09Å; N469-K472 PolarHBondContact O-N 2.95Å; N469-K472 PolarHBondContact OD1-N 3.02Å; K472-A474 VanDerWaalsContact C-N 3.33Å; K472-A474 PolarHBondContact O-N 3.37Å; K472-N475 PolarHBondContact O-N 3.21Å; K472-E476 WeakPolarHBondContact CD-OE1 3.45Å; K472-E476 VanDerWaalsContact CE-OE1 3.27Å; K472-E476 WeakPolarHBondContact CE-OE1 3.48Å; K472-E476 HydrophobicContact CG-CG 4.48Å; K472-E476 WeakPolarHBondContact CG-OE1 3.47Å; K472-E476 IonicContact NZ-OE1 3.23Å; K472-E476 PolarHBondContact NZ-OE1 3.49Å; K472-E476 WeakPolarHBondContact O-CG 3.39Å; K472-E476 PolarHBondContact O-N 3.29Å
473	K	91.2	Very high	86.7	Confident	79 Å²	79	65.4 Å²	65.4	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-29.8	-177.4	-160.1	73.6	-146.9	166.1	0	113.3	W461 V464 N469 V470 E476 I477	W461-K473 HydrophobicContact CE3-CB 4.14Å; W461-K473 HydrophobicContact CE3-CG 4.05Å; W461-K473 HydrophobicContact CZ3-CB 4.02Å; W461-K473 HydrophobicContact CZ3-CG 4.45Å; V464-K473 HydrophobicContact CG2-CG 4.46Å; N469-K473 PolarHBondContact O-N 2.97Å; V470-K473 PolarHBondContact O-N 2.89Å; K473-E476 WeakPolarHBondContact CD-OE2 3.35Å; K473-E476 WeakPolarHBondContact CE-OE2 3.41Å; K473-E476 IonicContact NZ-OE2 2.71Å; K473-E476 PolarHBondContact NZ-OE2 3.49Å; K473-I477 HydrophobicContact CG-CD1 4.49Å; K473-I477 WeakPolarHBondContact O-CG1 3.32Å; K473-I477 PolarHBondContact O-N 2.86Å
474	A	92.7	Very high	87.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-49.8	173.3	0	0	0	0	0	111.8	W461 V470 K471 K472 I477 F478 L504 P507 M511	W461-A474 HydrophobicContact CH2-CB 3.72Å; W461-A474 HydrophobicContact CZ3-CB 3.92Å; V470-A474 WeakPolarHBondContact O-CB 3.44Å; V470-A474 PolarHBondContact O-N 2.86Å; K471-A474 PolarHBondContact O-N 3.05Å; K472-A474 VanDerWaalsContact C-N 3.33Å; K472-A474 PolarHBondContact O-N 3.37Å; A474-I477 PolarHBondContact O-N 2.96Å; A474-F478 WeakPolarHBondContact O-CB 3.41Å; A474-F478 PolarHBondContact O-N 2.88Å; A474-L504 HydrophobicContact CB-CD2 4.49Å; A474-P507 HydrophobicContact CB-CB 4.03Å; A474-P507 HydrophobicContact CB-CG 3.76Å; A474-M511 HydrophobicContact CB-CE 4.25Å; A474-M511 HydrophobicContact CB-SD 3.99Å
475	N	94.7	Very high	87.8	Confident	55 Å²	55	68.4 Å²	68.4	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-66	-43.1	178.3	-67.2	-81.8	0	0	0	110.9	K471 K472 I477 F478 D479	K471-N475 PolarHBondContact O-N 2.78Å; K471-N475 PolarHBondContact O-ND2 3.31Å; K472-N475 PolarHBondContact O-N 3.21Å; N475-I477 PolarHBondContact O-N 3.38Å; N475-F478 PolarHBondContact O-N 3.26Å; N475-D479 WeakPolarHBondContact O-CB 3.3Å; N475-D479 PolarHBondContact O-N 3.13Å
476	E	94.6	Very high	88.6	Confident	69 Å²	69	67 Å²	67	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-53.6	-28.7	173.7	-76.9	177.4	-162.5	0	0	114.4	K472 K473 K480	K472-E476 WeakPolarHBondContact CD-OE1 3.45Å; K472-E476 VanDerWaalsContact CE-OE1 3.27Å; K472-E476 WeakPolarHBondContact CE-OE1 3.48Å; K472-E476 HydrophobicContact CG-CG 4.48Å; K472-E476 WeakPolarHBondContact CG-OE1 3.47Å; K472-E476 IonicContact NZ-OE1 3.23Å; K472-E476 PolarHBondContact NZ-OE1 3.49Å; K472-E476 WeakPolarHBondContact O-CG 3.39Å; K472-E476 PolarHBondContact O-N 3.29Å; K473-E476 WeakPolarHBondContact CD-OE2 3.35Å; K473-E476 WeakPolarHBondContact CE-OE2 3.41Å; K473-E476 IonicContact NZ-OE2 2.71Å; K473-E476 PolarHBondContact NZ-OE2 3.49Å; E476-K480 WeakPolarHBondContact O-CB 3.24Å
477	I	95.1	Very high	89.6	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.015	36%	0.364	C	S	.	.	H	α-helix	trans	-88.1	-39.7	176.1	-68.3	171.1	0	0	0	110.9	F454 W461 K473 A474 N475 F481 F512	F454-I477 HydrophobicContact CD2-CG2 4.42Å; F454-I477 HydrophobicContact CE2-CG2 4.12Å; W461-I477 HydrophobicContact CB-CD1 3.7Å; W461-I477 HydrophobicContact CD2-CD1 4.43Å; W461-I477 HydrophobicContact CE3-CD1 4.27Å; W461-I477 HydrophobicContact CG-CD1 4.24Å; K473-I477 HydrophobicContact CG-CD1 4.49Å; K473-I477 WeakPolarHBondContact O-CG1 3.32Å; K473-I477 PolarHBondContact O-N 2.86Å; A474-I477 PolarHBondContact O-N 2.96Å; N475-I477 PolarHBondContact O-N 3.38Å; I477-F481 HydrophobicContact CG2-CD2 4.22Å; I477-F481 WeakPolarHBondContact O-CD2 3.48Å; I477-F481 PolarHBondContact O-N 2.83Å; I477-F481 VanDerWaalsContact O-N 3.16Å; I477-F512 HydrophobicContact CB-CE2 4.17Å; I477-F512 HydrophobicContact CB-CZ 3.9Å; I477-F512 HydrophobicContact CD1-CE2 4.24Å; I477-F512 HydrophobicContact CG2-CD1 4.4Å; I477-F512 HydrophobicContact CG2-CD2 4.32Å; I477-F512 HydrophobicContact CG2-CE1 3.99Å; I477-F512 HydrophobicContact CG2-CE2 3.91Å; I477-F512 HydrophobicContact CG2-CZ 3.72Å
478	F	96.4	Very high	90.8	Very high	19 Å²	19	63 Å²	63	8%	0.083	34%	0.342	C	S	.	.	H	α-helix	trans	-66.1	-50.6	178.8	-172.9	-87.8	0	0	0	112	A474 N475 K480 F481 L482 V483 I497 A500 L504	A474-F478 WeakPolarHBondContact O-CB 3.41Å; A474-F478 PolarHBondContact O-N 2.88Å; N475-F478 PolarHBondContact O-N 3.26Å; F478-K480 PolarHBondContact O-N 3.25Å; F478-F481 PolarHBondContact O-N 2.76Å; F478-L482 HydrophobicContact CD2-CB 3.78Å; F478-L482 HydrophobicContact CD2-CD1 3.81Å; F478-L482 HydrophobicContact CD2-CG 4.4Å; F478-L482 HydrophobicContact CE2-CB 3.93Å; F478-L482 HydrophobicContact CE2-CD1 4.38Å; F478-L482 HydrophobicContact CG-CB 4.21Å; F478-L482 HydrophobicContact CZ-CB 4.5Å; F478-L482 CarbonylContact O-C 3.48Å; F478-L482 WeakPolarHBondContact O-CA 3.23Å; F478-L482 WeakPolarHBondContact O-CB 3.5Å; F478-L482 PolarHBondContact O-N 2.81Å; F478-V483 HydrophobicContact CD1-CG2 3.81Å; F478-V483 HydrophobicContact CE1-CG2 3.64Å; F478-V483 PolarHBondContact O-N 2.76Å; F478-V483 VanDerWaalsContact O-N 3.07Å; F478-I497 HydrophobicContact CE2-CG2 4.36Å; F478-I497 HydrophobicContact CZ-CG2 4.23Å; F478-A500 HydrophobicContact CD2-CB 4.15Å; F478-A500 HydrophobicContact CE2-CB 4.19Å; F478-L504 HydrophobicContact CB-CD2 3.76Å; F478-L504 HydrophobicContact CD1-CD1 3.79Å; F478-L504 HydrophobicContact CD2-CD1 4.09Å; F478-L504 HydrophobicContact CD2-CD2 4.15Å; F478-L504 HydrophobicContact CD2-CG 4.4Å; F478-L504 HydrophobicContact CE1-CD1 3.98Å; F478-L504 HydrophobicContact CE2-CD1 4.28Å; F478-L504 HydrophobicContact CG-CD1 3.87Å; F478-L504 HydrophobicContact CG-CD2 3.89Å; F478-L504 HydrophobicContact CG-CG 4.38Å; F478-L504 HydrophobicContact CZ-CD1 4.23Å
479	D	96.1	Very high	92.2	Very high	89 Å²	89	62.5 Å²	62.5	48%	0.476	33%	0.333	S	S	.	.	H	α-helix	trans	-64.6	-28.6	-178.5	-58.3	-25.9	0	0	0	112.2	N475 A486	N475-D479 WeakPolarHBondContact O-CB 3.3Å; N475-D479 PolarHBondContact O-N 3.13Å; D479-A486 WeakPolarHBondContact O-CB 3.34Å
480	K	96.5	Very high	93	Very high	83 Å²	83	57.9 Å²	57.9	36%	0.361	31%	0.308	S	S	.	.	H	α-helix	trans	-83.2	-35.6	-178.3	-177.2	173.3	176.1	-176.8	0	113.9	E476 F478 A486 Q488	E476-K480 WeakPolarHBondContact O-CB 3.24Å; F478-K480 PolarHBondContact O-N 3.25Å; K480-A486 WeakPolarHBondContact O-CB 3.34Å; K480-Q488 CarbonylContact O-C 3.59Å
481	F	97.5	Very high	93.3	Very high	1 Å²	1	62.1 Å²	62.1	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-126.4	-20	-168.8	-59.2	-76.1	0	0	0	115.2	D453 F454 S457 I477 F478 Q488 A489 V490	D453-F481 HydrophobicContact CB-CE1 3.71Å; D453-F481 HydrophobicContact CB-CZ 3.85Å; F454-F481 HydrophobicContact CB-CB 4.38Å; F454-F481 HydrophobicContact CB-CD1 3.8Å; F454-F481 HydrophobicContact CB-CD2 4.45Å; F454-F481 HydrophobicContact CB-CE1 4.1Å; F454-F481 HydrophobicContact CB-CG 3.99Å; F454-F481 HydrophobicContact CD2-CB 3.55Å; F454-F481 HydrophobicContact CD2-CD1 4.39Å; F454-F481 AromaticContact CD2-CD2 3.84Å; F454-F481 HydrophobicContact CD2-CD2 3.84Å; F454-F481 AromaticContact CD2-CG 3.71Å; F454-F481 HydrophobicContact CD2-CG 3.71Å; F454-F481 HydrophobicContact CE2-CB 4.24Å; F454-F481 HydrophobicContact CG-CB 4.26Å; F454-F481 HydrophobicContact CG-CG 4.29Å; S457-F481 WeakPolarHBondContact OG-CE2 3.39Å; I477-F481 HydrophobicContact CG2-CD2 4.22Å; I477-F481 WeakPolarHBondContact O-CD2 3.48Å; I477-F481 PolarHBondContact O-N 2.83Å; I477-F481 VanDerWaalsContact O-N 3.16Å; F478-F481 PolarHBondContact O-N 2.76Å; F481-Q488 HydrophobicContact CD1-CB 4.05Å; F481-Q488 WeakPolarHBondContact CD1-O 3.11Å; F481-Q488 HydrophobicContact CE1-CB 4.13Å; F481-A489 WeakPolarHBondContact O-CA 3.46Å; F481-V490 HydrophobicContact CD1-CG1 4.48Å; F481-V490 WeakPolarHBondContact O-CG2 3.38Å; F481-V490 PolarHBondContact O-N 3.46Å
482	L	95.8	Very high	93.4	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-13.6	-168.7	-54.4	-179.3	0	0	0	114.3	F454 F478 V490 I492 I497 A500 F512 A515	F454-L482 HydrophobicContact CE2-CD1 4.26Å; F454-L482 HydrophobicContact CE2-CD2 3.85Å; F454-L482 HydrophobicContact CE2-CG 4.18Å; F454-L482 HydrophobicContact CZ-CD2 3.97Å; F478-L482 HydrophobicContact CD2-CB 3.78Å; F478-L482 HydrophobicContact CD2-CD1 3.81Å; F478-L482 HydrophobicContact CD2-CG 4.4Å; F478-L482 HydrophobicContact CE2-CB 3.93Å; F478-L482 HydrophobicContact CE2-CD1 4.38Å; F478-L482 HydrophobicContact CG-CB 4.21Å; F478-L482 HydrophobicContact CZ-CB 4.5Å; F478-L482 CarbonylContact O-C 3.48Å; F478-L482 WeakPolarHBondContact O-CA 3.23Å; F478-L482 WeakPolarHBondContact O-CB 3.5Å; F478-L482 PolarHBondContact O-N 2.81Å; L482-V490 HydrophobicContact CD2-CG2 3.82Å; L482-I492 HydrophobicContact CD2-CD1 3.6Å; L482-I497 WeakPolarHBondContact O-CG2 3.4Å; L482-A500 HydrophobicContact CD1-CB 3.89Å; L482-F512 HydrophobicContact CD1-CD1 3.64Å; L482-F512 HydrophobicContact CD1-CE1 3.71Å; L482-A515 HydrophobicContact CD2-CB 4.12Å
483	V	94.2	Very high	93.4	Very high	45 Å²	45	55.3 Å²	55.3	27%	0.273	30%	0.304	S	S	.	.	S	Bend	trans	-69.6	131.5	165.6	167.5	0	0	0	0	108.9	F478 D485 A486	F478-V483 HydrophobicContact CD1-CG2 3.81Å; F478-V483 HydrophobicContact CE1-CG2 3.64Å; F478-V483 PolarHBondContact O-N 2.76Å; F478-V483 VanDerWaalsContact O-N 3.07Å; V483-D485 VanDerWaalsContact C-N 3.27Å; V483-D485 PolarHBondContact O-N 2.84Å; V483-A486 HydrophobicContact CB-CB 4.19Å; V483-A486 WeakPolarHBondContact O-CB 3.3Å; V483-A486 PolarHBondContact O-N 3.08Å
484	P	87.2	Confident	93.4	Very high	101 Å²	101	58.2 Å²	58.2	66%	0.656	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.9	-173.7	-29.8	36.6	0	0	0	115.4
485	D	87.9	Confident	93.3	Very high	154 Å²	154	64.4 Å²	64.4	82%	0.824	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	14.1	-178.9	-52.2	-71.4	0	0	0	113.1	V483	V483-D485 VanDerWaalsContact C-N 3.27Å; V483-D485 PolarHBondContact O-N 2.84Å
486	A	91.5	Very high	93	Very high	13 Å²	13	61.8 Å²	61.8	11%	0.107	34%	0.338	C	S	.	.			trans	-69.5	142	-179.6	0	0	0	0	0	111.9	D479 K480 V483 Q488 A489	D479-A486 WeakPolarHBondContact O-CB 3.34Å; K480-A486 WeakPolarHBondContact O-CB 3.34Å; V483-A486 HydrophobicContact CB-CB 4.19Å; V483-A486 WeakPolarHBondContact O-CB 3.3Å; V483-A486 PolarHBondContact O-N 3.08Å; A486-Q488 PolarHBondContact O-N 3.21Å; A486-A489 HydrophobicContact CB-CB 4.15Å; A486-A489 WeakPolarHBondContact O-CB 3.4Å; A486-A489 PolarHBondContact O-N 3.49Å
487	P	89.2	Confident	93	Very high	131 Å²	131	60 Å²	60	85%	0.851	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-6.8	-178.4	29.1	-36.8	0	0	0	114.1
488	Q	93.8	Very high	92.8	Very high	52 Å²	52	66.5 Å²	66.5	24%	0.243	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132	33.5	170.8	-62.5	-156.3	-85.6	0	0	111.3	E450 K480 F481 A486 V490	E450-Q488 HydrophobicContact CB-CB 3.84Å; E450-Q488 HydrophobicContact CB-CG 4.45Å; K480-Q488 CarbonylContact O-C 3.59Å; F481-Q488 HydrophobicContact CD1-CB 4.05Å; F481-Q488 WeakPolarHBondContact CD1-O 3.11Å; F481-Q488 HydrophobicContact CE1-CB 4.13Å; A486-Q488 PolarHBondContact O-N 3.21Å; Q488-V490 PolarHBondContact O-N 3.45Å
489	A	95	Very high	92.4	Very high	36 Å²	36	67.7 Å²	67.7	30%	0.298	37%	0.369	S	S	.	.			trans	-57.8	127.1	178.3	0	0	0	0	0	112.1	F481 A486	F481-A489 WeakPolarHBondContact O-CA 3.46Å; A486-A489 HydrophobicContact CB-CB 4.15Å; A486-A489 WeakPolarHBondContact O-CB 3.4Å; A486-A489 PolarHBondContact O-N 3.49Å
490	V	96.3	Very high	92.1	Very high	12 Å²	12	63.5 Å²	63.5	7%	0.073	35%	0.346	C	S	.	.			trans	-86.8	144.9	177.9	-68.8	0	0	0	0	112.2	E450 F454 F481 L482 Q488 I492 V519	E450-V490 HydrophobicContact CG-CG1 4.22Å; F454-V490 HydrophobicContact CB-CG1 3.68Å; F454-V490 HydrophobicContact CD1-CG1 4.37Å; F454-V490 HydrophobicContact CD1-CG2 4.29Å; F454-V490 HydrophobicContact CG-CG1 4.07Å; F454-V490 HydrophobicContact CG-CG2 4.34Å; F481-V490 HydrophobicContact CD1-CG1 4.48Å; F481-V490 WeakPolarHBondContact O-CG2 3.38Å; F481-V490 PolarHBondContact O-N 3.46Å; L482-V490 HydrophobicContact CD2-CG2 3.82Å; Q488-V490 PolarHBondContact O-N 3.45Å; V490-I492 HydrophobicContact CG2-CD1 4.26Å; V490-I492 HydrophobicContact CG2-CG1 4.35Å; V490-I492 HydrophobicContact CG2-CG2 4.08Å; V490-I492 PolarHBondContact O-N 3.05Å; V490-V519 HydrophobicContact CB-CG2 3.8Å; V490-V519 HydrophobicContact CG1-CG2 4.22Å; V490-V519 HydrophobicContact CG2-CG2 3.79Å
491	N	92.9	Very high	92	Very high	127 Å²	127	62.2 Å²	62.2	68%	0.679	35%	0.348	S	S	*	.			trans	-77.9	89.9	-179.7	-176.1	19.5	0	0	0	111.6	L522	N491-L522 HydrophobicContact CB-CD2 4.23Å
492	I	92.6	Very high	91.6	Very high	24 Å²	24	66 Å²	66	12%	0.123	37%	0.374	C	S	.	.			trans	-133.8	168.8	178.1	64.1	174	0	0	0	111.7	L482 V490 A496 I497 A515 Q518 V519	L482-I492 HydrophobicContact CD2-CD1 3.6Å; V490-I492 HydrophobicContact CG2-CD1 4.26Å; V490-I492 HydrophobicContact CG2-CG1 4.35Å; V490-I492 HydrophobicContact CG2-CG2 4.08Å; V490-I492 PolarHBondContact O-N 3.05Å; I492-A496 HydrophobicContact CD1-CB 3.98Å; I492-I497 HydrophobicContact CD1-CG1 3.74Å; I492-I497 HydrophobicContact CG1-CD1 4.16Å; I492-I497 HydrophobicContact CG1-CG1 3.86Å; I492-A515 HydrophobicContact CD1-CB 3.49Å; I492-A515 VanDerWaalsContact CD1-CB 3.49Å; I492-Q518 HydrophobicContact CB-CB 4.36Å; I492-Q518 HydrophobicContact CG2-CB 3.85Å; I492-V519 HydrophobicContact CG2-CG2 3.41Å; I492-V519 VanDerWaalsContact CG2-CG2 3.41Å
493	D	90.2	Very high	91.2	Very high	66 Å²	66	67 Å²	67	35%	0.353	38%	0.381	S	S	.	.			trans	-74.7	157.3	176.2	79.3	39.4	0	0	0	113.9	L495 A496 I497 Q518	D493-L495 PolarHBondContact O-N 2.88Å; D493-L495 VanDerWaalsContact OD1-CA 3.26Å; D493-L495 WeakPolarHBondContact OD1-CA 3.46Å; D493-L495 WeakPolarHBondContact OD1-CB 3.38Å; D493-L495 PolarHBondContact OD1-N 3.14Å; D493-A496 PolarHBondContact O-N 3.2Å; D493-A496 PolarHBondContact OD1-N 2.58Å; D493-I497 PolarHBondContact O-N 3.01Å; D493-Q518 VanDerWaalsContact CG-NE2 3.26Å; D493-Q518 PolarHBondContact OD2-NE2 2.84Å
494	H	91.6	Very high	91	Very high	139 Å²	139	66.2 Å²	66.2	64%	0.644	38%	0.376	S	S	*	.	H	α-helix	trans	-66.5	-17.9	178.4	-174.9	-66.3	0	0	0	113	K498	H494-K498 WeakPolarHBondContact O-CB 3.4Å; H494-K498 PolarHBondContact O-N 3.37Å
495	L	90.4	Very high	91	Very high	130 Å²	130	64.6 Å²	64.6	68%	0.681	37%	0.366	S	S	*	.	H	α-helix	trans	-74.7	-40.1	177.8	-55	176.8	0	0	0	110.5	D493 K498 S499	D493-L495 PolarHBondContact O-N 2.88Å; D493-L495 VanDerWaalsContact OD1-CA 3.26Å; D493-L495 WeakPolarHBondContact OD1-CA 3.46Å; D493-L495 WeakPolarHBondContact OD1-CB 3.38Å; D493-L495 PolarHBondContact OD1-N 3.14Å; L495-K498 PolarHBondContact O-N 3.37Å; L495-S499 VanDerWaalsContact O-CB 3.31Å; L495-S499 WeakPolarHBondContact O-CB 3.25Å; L495-S499 PolarHBondContact O-N 3.18Å
496	A	88.2	Confident	90.7	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-46.1	172	0	0	0	0	0	111.8	I492 D493 S499 A500 E514 A515	I492-A496 HydrophobicContact CD1-CB 3.98Å; D493-A496 PolarHBondContact O-N 3.2Å; D493-A496 PolarHBondContact OD1-N 2.58Å; A496-S499 WeakPolarHBondContact O-CB 3.44Å; A496-S499 PolarHBondContact O-N 2.85Å; A496-A500 PolarHBondContact O-N 2.98Å; A496-E514 HydrophobicContact CB-CB 4.1Å; A496-E514 HydrophobicContact CB-CG 4.02Å; A496-A515 HydrophobicContact CB-CB 4.25Å
497	I	94.2	Very high	90.5	Very high	32 Å²	32	64.5 Å²	64.5	16%	0.164	36%	0.36	C	S	.	.	H	α-helix	trans	-59.2	-49.5	174.9	-61.3	171.5	0	0	0	110.6	F478 L482 I492 D493 S499 A500 S501	F478-I497 HydrophobicContact CE2-CG2 4.36Å; F478-I497 HydrophobicContact CZ-CG2 4.23Å; L482-I497 WeakPolarHBondContact O-CG2 3.4Å; I492-I497 HydrophobicContact CD1-CG1 3.74Å; I492-I497 HydrophobicContact CG1-CD1 4.16Å; I492-I497 HydrophobicContact CG1-CG1 3.86Å; D493-I497 PolarHBondContact O-N 3.01Å; I497-S499 VanDerWaalsContact C-N 3.32Å; I497-S499 PolarHBondContact O-N 3.06Å; I497-A500 PolarHBondContact O-N 2.9Å; I497-S501 VanDerWaalsContact O-CB 3.26Å; I497-S501 WeakPolarHBondContact O-CB 3.42Å; I497-S501 PolarHBondContact O-N 2.87Å
498	K	91.7	Very high	90	Very high	139 Å²	139	60.7 Å²	60.7	60%	0.604	33%	0.331	S	S	*	.	H	α-helix	trans	-61.8	-38.1	178.4	-175.8	174.7	-179.4	176.2	0	112.2	H494 L495 S502	H494-K498 WeakPolarHBondContact O-CB 3.4Å; H494-K498 PolarHBondContact O-N 3.37Å; L495-K498 PolarHBondContact O-N 3.37Å; K498-S502 WeakPolarHBondContact O-CB 3.36Å; K498-S502 PolarHBondContact O-N 3.2Å
499	S	87.2	Confident	89.3	Confident	44 Å²	44	59.6 Å²	59.6	31%	0.308	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-53.1	175.6	-171.1	0	0	0	0	111	L495 A496 I497 S501 S502 C503	L495-S499 VanDerWaalsContact O-CB 3.31Å; L495-S499 WeakPolarHBondContact O-CB 3.25Å; L495-S499 PolarHBondContact O-N 3.18Å; A496-S499 WeakPolarHBondContact O-CB 3.44Å; A496-S499 PolarHBondContact O-N 2.85Å; I497-S499 VanDerWaalsContact C-N 3.32Å; I497-S499 PolarHBondContact O-N 3.06Å; S499-S501 VanDerWaalsContact C-N 3.35Å; S499-S501 PolarHBondContact O-N 2.72Å; S499-S502 PolarHBondContact O-N 3.15Å; S499-S502 PolarHBondContact O-OG 3.37Å; S499-C503 PolarHBondContact O-N 2.96Å
500	A	90	Very high	88.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-43.5	178.3	0	0	0	0	0	111.9	F478 L482 A496 I497 S502 C503 L504 M511 F512	F478-A500 HydrophobicContact CD2-CB 4.15Å; F478-A500 HydrophobicContact CE2-CB 4.19Å; L482-A500 HydrophobicContact CD1-CB 3.89Å; A496-A500 PolarHBondContact O-N 2.98Å; I497-A500 PolarHBondContact O-N 2.9Å; A500-S502 PolarHBondContact O-N 2.82Å; A500-C503 PolarHBondContact O-N 2.98Å; A500-C503 VanDerWaalsContact O-N 3.09Å; A500-L504 PolarHBondContact O-N 3.36Å; A500-M511 WeakPolarHBondContact O-CE 3.34Å; A500-F512 HydrophobicContact CB-CD1 4.09Å; A500-F512 HydrophobicContact CB-CE1 4.28Å
501	S	94.1	Very high	88.3	Confident	56 Å²	56	58.3 Å²	58.3	39%	0.392	32%	0.315	S	S	.	.	H	α-helix	trans	-57.8	-45.8	177.6	-178.4	0	0	0	0	112.1	I497 S499 C503 L504	I497-S501 VanDerWaalsContact O-CB 3.26Å; I497-S501 WeakPolarHBondContact O-CB 3.42Å; I497-S501 PolarHBondContact O-N 2.87Å; S499-S501 VanDerWaalsContact C-N 3.35Å; S499-S501 PolarHBondContact O-N 2.72Å; S501-C503 PolarHBondContact O-N 3.15Å; S501-C503 VanDerWaalsContact O-N 3.11Å; S501-L504 WeakPolarHBondContact O-CB 3.4Å; S501-L504 WeakPolarHBondContact O-CG 3.19Å; S501-L504 PolarHBondContact O-N 2.92Å; S501-L504 VanDerWaalsContact O-N 3.07Å
502	S	89.7	Confident	88.1	Confident	80 Å²	80	52.3 Å²	52.3	56%	0.559	28%	0.283	S	S	*	.	H	α-helix	trans	-60.7	-24.4	178.3	72.6	0	0	0	0	113.6	K498 S499 A500	K498-S502 WeakPolarHBondContact O-CB 3.36Å; K498-S502 PolarHBondContact O-N 3.2Å; S499-S502 PolarHBondContact O-N 3.15Å; S499-S502 PolarHBondContact O-OG 3.37Å; A500-S502 PolarHBondContact O-N 2.82Å
503	C	87	Confident	87.7	Confident	23 Å²	23	51.8 Å²	51.8	16%	0.155	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-3	178.7	-62.8	0	0	0	0	114.7	S499 A500 S501 S505 H506 P507 H508 M511	S499-C503 PolarHBondContact O-N 2.96Å; A500-C503 PolarHBondContact O-N 2.98Å; A500-C503 VanDerWaalsContact O-N 3.09Å; S501-C503 PolarHBondContact O-N 3.15Å; S501-C503 VanDerWaalsContact O-N 3.11Å; C503-S505 PolarHBondContact O-N 3.03Å; C503-H506 CarbonylContact O-C 3.56Å; C503-H506 PolarHBondContact O-N 2.87Å; C503-H506 VanDerWaalsContact O-N 3.14Å; C503-P507 VanDerWaalsContact O-CA 3.31Å; C503-P507 WeakPolarHBondContact O-CA 3.48Å; C503-H508 VanDerWaalsContact SG-CE1 3.53Å; C503-M511 HydrophobicContact CB-CB 3.91Å; C503-M511 HydrophobicContact CB-CE 3.94Å
504	L	90.1	Very high	87.3	Confident	30 Å²	30	51.8 Å²	51.8	16%	0.157	28%	0.278	C	S	.	.	S	Bend	trans	-62.6	-30.4	179.8	-67.5	170	0	0	0	113.2	A474 F478 A500 S501 M511	A474-L504 HydrophobicContact CB-CD2 4.49Å; F478-L504 HydrophobicContact CB-CD2 3.76Å; F478-L504 HydrophobicContact CD1-CD1 3.79Å; F478-L504 HydrophobicContact CD2-CD1 4.09Å; F478-L504 HydrophobicContact CD2-CD2 4.15Å; F478-L504 HydrophobicContact CD2-CG 4.4Å; F478-L504 HydrophobicContact CE1-CD1 3.98Å; F478-L504 HydrophobicContact CE2-CD1 4.28Å; F478-L504 HydrophobicContact CG-CD1 3.87Å; F478-L504 HydrophobicContact CG-CD2 3.89Å; F478-L504 HydrophobicContact CG-CG 4.38Å; F478-L504 HydrophobicContact CZ-CD1 4.23Å; A500-L504 PolarHBondContact O-N 3.36Å; S501-L504 WeakPolarHBondContact O-CB 3.4Å; S501-L504 WeakPolarHBondContact O-CG 3.19Å; S501-L504 PolarHBondContact O-N 2.92Å; S501-L504 VanDerWaalsContact O-N 3.07Å; L504-M511 HydrophobicContact CD2-CE 3.98Å
505	S	87	Confident	87.4	Confident	66 Å²	66	45.2 Å²	45.2	46%	0.462	25%	0.248	S	C	.	.	S	Bend	trans	-66.9	-37.9	175.6	65.7	0	0	0	0	112.5	K471 C503	K471-S505 VanDerWaalsContact CE-O 3.32Å; K471-S505 WeakPolarHBondContact CE-O 3.49Å; K471-S505 PolarHBondContact NZ-O 2.84Å; C503-S505 PolarHBondContact O-N 3.03Å
506	H	82.9	Confident	87.4	Confident	145 Å²	145	39.3 Å²	39.3	67%	0.671	22%	0.217	S	C	*	.	S	Bend	trans	-138.4	76.9	-177.2	-62.9	86.7	0	0	0	109.9	C503	C503-H506 CarbonylContact O-C 3.56Å; C503-H506 PolarHBondContact O-N 2.87Å; C503-H506 VanDerWaalsContact O-N 3.14Å
507	P	85.6	Confident	87.4	Confident	20 Å²	20	41.7 Å²	41.7	13%	0.13	23%	0.23	C	C	.	.			trans	-61.9	144.8	-177	-27.5	38	0	0	0	112.8	W461 V470 K471 A474 C503 M511	W461-P507 HydrophobicContact CH2-CB 3.83Å; W461-P507 HydrophobicContact CZ2-CB 4.23Å; V470-P507 HydrophobicContact CG1-CB 3.83Å; V470-P507 HydrophobicContact CG1-CG 4.47Å; K471-P507 HydrophobicContact CG-CG 4.14Å; A474-P507 HydrophobicContact CB-CB 4.03Å; A474-P507 HydrophobicContact CB-CG 3.76Å; C503-P507 VanDerWaalsContact O-CA 3.31Å; C503-P507 WeakPolarHBondContact O-CA 3.48Å; P507-M511 HydrophobicContact CB-SD 3.61Å; P507-M511 HydrophobicContact CG-SD 4.39Å
508	H	79.4	Confident	87.3	Confident	51 Å²	51	42.3 Å²	42.3	24%	0.236	23%	0.232	C	C	.	.			trans	-135.1	157.7	173	68.1	-78.1	0	0	0	110.5	F465 C503 D510 M511	F465-H508 VanDerWaalsContact CE2-C 3.4Å; C503-H508 VanDerWaalsContact SG-CE1 3.53Å; H508-D510 PolarHBondContact O-N 2.88Å; H508-D510 VanDerWaalsContact O-N 3.12Å; H508-M511 VanDerWaalsContact O-CB 3.29Å; H508-M511 WeakPolarHBondContact O-CB 3.49Å; H508-M511 WeakPolarHBondContact O-CG 3.08Å; H508-M511 PolarHBondContact O-N 3.35Å
509	V	80.2	Confident	87.4	Confident	29 Å²	29	35.7 Å²	35.7	18%	0.176	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-37.5	-171.9	66.1	0	0	0	0	113.6	W461 R462 F465	W461-V509 PolarHBondContact NE1-O 3.02Å; W461-V509 VanDerWaalsContact NE1-O 3.08Å; R462-V509 HydrophobicContact CB-CG2 4.1Å; R462-V509 HydrophobicContact CG-CG2 3.76Å; F465-V509 HydrophobicContact CB-CG2 4.35Å; F465-V509 HydrophobicContact CD1-CB 3.96Å; F465-V509 HydrophobicContact CD2-CB 4.29Å; F465-V509 HydrophobicContact CE1-CB 4.3Å; F465-V509 HydrophobicContact CG-CB 3.99Å; F465-V509 HydrophobicContact CG-CG2 4.29Å
510	D	82.3	Confident	87.8	Confident	15 Å²	15	34.8 Å²	34.8	8%	0.08	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	8	179.1	-53.5	-73.9	0	0	0	114.7	R233 H508 F512 L513	R233-D510 IonicContact CZ-OD1 2.65Å; R233-D510 IonicContact CZ-OD2 3.55Å; R233-D510 IonicContact NH1-OD1 2.88Å; R233-D510 PolarHBondContact NH1-OD1 2.75Å; R233-D510 IonicContact NH1-OD2 2.74Å; R233-D510 IonicContact NH2-OD1 3.49Å; R233-D510 PolarHBondContact NH2-OD1 2.8Å; R233-D510 IonicContact NH2-OD2 2.6Å; R233-D510 PolarHBondContact NH2-OD2 2.85Å; H508-D510 PolarHBondContact O-N 2.88Å; H508-D510 VanDerWaalsContact O-N 3.12Å; D510-F512 PolarHBondContact O-N 2.9Å; D510-L513 HydrophobicContact CB-CB 4.26Å; D510-L513 HydrophobicContact CB-CD2 4.31Å; D510-L513 WeakPolarHBondContact O-CB 3.28Å; D510-L513 PolarHBondContact O-N 3.07Å
511	M	86.3	Confident	87.8	Confident	6 Å²	6	38.3 Å²	38.3	3%	0.03	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.3	-170.4	72.1	179.9	-77.2	0	0	115.1	W461 A474 A500 C503 L504 P507 H508	W461-M511 HydrophobicContact CH2-SD 4.03Å; W461-M511 HydrophobicContact CZ2-CG 3.95Å; W461-M511 HydrophobicContact CZ2-SD 3.61Å; A474-M511 HydrophobicContact CB-CE 4.25Å; A474-M511 HydrophobicContact CB-SD 3.99Å; A500-M511 WeakPolarHBondContact O-CE 3.34Å; C503-M511 HydrophobicContact CB-CB 3.91Å; C503-M511 HydrophobicContact CB-CE 3.94Å; L504-M511 HydrophobicContact CD2-CE 3.98Å; P507-M511 HydrophobicContact CB-SD 3.61Å; P507-M511 HydrophobicContact CG-SD 4.39Å; H508-M511 VanDerWaalsContact O-CB 3.29Å; H508-M511 WeakPolarHBondContact O-CB 3.49Å; H508-M511 WeakPolarHBondContact O-CG 3.08Å; H508-M511 PolarHBondContact O-N 3.35Å
512	F	89.7	Confident	87.8	Confident	2 Å²	2	38 Å²	38	1%	0.009	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.3	177.8	-59.4	-61.6	0	0	0	113.6	F454 V458 W461 I477 L482 A500 D510 E514 A515 E516	F454-F512 HydrophobicContact CZ-CB 4.47Å; V458-F512 HydrophobicContact CG1-CB 3.98Å; V458-F512 HydrophobicContact CG2-CB 3.79Å; V458-F512 HydrophobicContact CG2-CD2 4.31Å; V458-F512 HydrophobicContact CG2-CG 4.16Å; W461-F512 AromaticContact CD1-CD2 3.8Å; W461-F512 HydrophobicContact CD2-CD2 4.27Å; W461-F512 AromaticContact CD2-CE2 3.91Å; W461-F512 HydrophobicContact CD2-CE2 3.91Å; W461-F512 AromaticContact CE2-CE2 3.79Å; W461-F512 HydrophobicContact CE3-CE2 4.41Å; W461-F512 HydrophobicContact CG-CD2 4.14Å; W461-F512 HydrophobicContact CG-CE2 4.18Å; W461-F512 HydrophobicContact CZ2-CE2 4.16Å; W461-F512 AromaticContact NE1-CD2 3.73Å; I477-F512 HydrophobicContact CB-CE2 4.17Å; I477-F512 HydrophobicContact CB-CZ 3.9Å; I477-F512 HydrophobicContact CD1-CE2 4.24Å; I477-F512 HydrophobicContact CG2-CD1 4.4Å; I477-F512 HydrophobicContact CG2-CD2 4.32Å; I477-F512 HydrophobicContact CG2-CE1 3.99Å; I477-F512 HydrophobicContact CG2-CE2 3.91Å; I477-F512 HydrophobicContact CG2-CZ 3.72Å; L482-F512 HydrophobicContact CD1-CD1 3.64Å; L482-F512 HydrophobicContact CD1-CE1 3.71Å; A500-F512 HydrophobicContact CB-CD1 4.09Å; A500-F512 HydrophobicContact CB-CE1 4.28Å; D510-F512 PolarHBondContact O-N 2.9Å; F512-E514 VanDerWaalsContact C-N 3.28Å; F512-E514 PolarHBondContact O-N 2.8Å; F512-A515 PolarHBondContact O-N 3.46Å; F512-A515 VanDerWaalsContact O-N 3.16Å; F512-E516 WeakPolarHBondContact O-CB 3.46Å; F512-E516 PolarHBondContact O-N 3.16Å
513	L	83.6	Confident	88.1	Confident	13 Å²	13	34.2 Å²	34.2	7%	0.068	18%	0.182	C	C	.	.	H	α-helix	trans	-57	-36.1	-171	178.7	62	0	0	0	113.6	P236 D510 N517	P236-L513 HydrophobicContact CB-CD2 4.48Å; P236-L513 HydrophobicContact CG-CD2 4.22Å; D510-L513 HydrophobicContact CB-CB 4.26Å; D510-L513 HydrophobicContact CB-CD2 4.31Å; D510-L513 WeakPolarHBondContact O-CB 3.28Å; D510-L513 PolarHBondContact O-N 3.07Å; L513-N517 WeakPolarHBondContact O-CB 3.21Å; L513-N517 PolarHBondContact O-N 2.82Å; L513-N517 PolarHBondContact O-ND2 2.96Å; L513-N517 VanDerWaalsContact O-ND2 3.15Å
514	E	82.6	Confident	88.4	Confident	65 Å²	65	36 Å²	36	30%	0.304	19%	0.187	S	C	.	.	H	α-helix	trans	-68.7	-47.4	178.8	-156	64.3	-129.7	0	0	111.7	K238 A496 F512 E516 N517 Q518	K238-E514 IonicContact NZ-OE2 3.92Å; K238-E514 PolarHBondContact NZ-OE2 2.82Å; A496-E514 HydrophobicContact CB-CB 4.1Å; A496-E514 HydrophobicContact CB-CG 4.02Å; F512-E514 VanDerWaalsContact C-N 3.28Å; F512-E514 PolarHBondContact O-N 2.8Å; E514-E516 VanDerWaalsContact C-N 3.35Å; E514-N517 PolarHBondContact O-N 2.9Å; E514-Q518 WeakPolarHBondContact O-CG 3.44Å; E514-Q518 PolarHBondContact O-N 2.96Å
515	A	92.4	Very high	88.5	Confident	2 Å²	2	39.2 Å²	39.2	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-41.4	175	0	0	0	0	0	111.4	F454 L482 I492 A496 F512 Q518 V519	F454-A515 HydrophobicContact CE1-CB 3.95Å; F454-A515 HydrophobicContact CZ-CB 3.65Å; L482-A515 HydrophobicContact CD2-CB 4.12Å; I492-A515 HydrophobicContact CD1-CB 3.49Å; I492-A515 VanDerWaalsContact CD1-CB 3.49Å; A496-A515 HydrophobicContact CB-CB 4.25Å; F512-A515 PolarHBondContact O-N 3.46Å; F512-A515 VanDerWaalsContact O-N 3.16Å; A515-Q518 PolarHBondContact O-N 2.76Å; A515-V519 WeakPolarHBondContact O-CG2 3.19Å; A515-V519 PolarHBondContact O-N 2.88Å
516	E	92	Very high	88.8	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-48.4	176.7	-165.7	-168.7	-171.5	0	0	111.4	L455 V458 R462 F512 E514 Q518 V519 Y520	L455-E516 HydrophobicContact CD2-CB 4.45Å; L455-E516 HydrophobicContact CD2-CG 3.52Å; V458-E516 HydrophobicContact CG1-CB 4.22Å; V458-E516 HydrophobicContact CG1-CG 4.1Å; R462-E516 IonicContact CZ-OE1 2.69Å; R462-E516 IonicContact CZ-OE2 2.88Å; R462-E516 VanDerWaalsContact CZ-OE2 3.28Å; R462-E516 IonicContact NH1-OE1 2.88Å; R462-E516 IonicContact NH1-OE2 3.34Å; R462-E516 PolarHBondContact NH1-OE2 2.83Å; R462-E516 VanDerWaalsContact NH2-CD 3.27Å; R462-E516 IonicContact NH2-OE1 3.74Å; R462-E516 PolarHBondContact NH2-OE1 2.8Å; R462-E516 IonicContact NH2-OE2 2.86Å; R462-E516 PolarHBondContact NH2-OE2 2.82Å; R462-E516 VanDerWaalsContact NH2-OE2 3.15Å; F512-E516 WeakPolarHBondContact O-CB 3.46Å; F512-E516 PolarHBondContact O-N 3.16Å; E514-E516 VanDerWaalsContact C-N 3.35Å; E516-Q518 VanDerWaalsContact C-N 3.26Å; E516-Q518 PolarHBondContact O-N 3.44Å; E516-V519 PolarHBondContact O-N 2.83Å; E516-Y520 WeakPolarHBondContact O-CB 3.2Å; E516-Y520 PolarHBondContact O-N 2.68Å
517	N	88.5	Confident	89.4	Confident	50 Å²	50	32.5 Å²	32.5	27%	0.267	17%	0.173	S	C	.	.	H	α-helix	trans	-59	-38.2	178.7	-72.5	-23.8	0	0	0	112	L513 E514 T521	L513-N517 WeakPolarHBondContact O-CB 3.21Å; L513-N517 PolarHBondContact O-N 2.82Å; L513-N517 PolarHBondContact O-ND2 2.96Å; L513-N517 VanDerWaalsContact O-ND2 3.15Å; E514-N517 PolarHBondContact O-N 2.9Å; N517-T521 VanDerWaalsContact O-CB 3.29Å; N517-T521 WeakPolarHBondContact O-CB 3.28Å; N517-T521 PolarHBondContact O-N 2.95Å; N517-T521 PolarHBondContact O-OG1 2.92Å
518	Q	91.1	Very high	89.9	Confident	45 Å²	45	32.4 Å²	32.4	21%	0.21	17%	0.17	C	C	.	.	H	α-helix	trans	-69.8	-51.1	178.3	-67.3	-174.8	23.4	0	0	111.7	I492 D493 E514 A515 E516 Y520 T521 L522	I492-Q518 HydrophobicContact CB-CB 4.36Å; I492-Q518 HydrophobicContact CG2-CB 3.85Å; D493-Q518 VanDerWaalsContact CG-NE2 3.26Å; D493-Q518 PolarHBondContact OD2-NE2 2.84Å; E514-Q518 WeakPolarHBondContact O-CG 3.44Å; E514-Q518 PolarHBondContact O-N 2.96Å; A515-Q518 PolarHBondContact O-N 2.76Å; E516-Q518 VanDerWaalsContact C-N 3.26Å; E516-Q518 PolarHBondContact O-N 3.44Å; Q518-Y520 VanDerWaalsContact C-N 3.34Å; Q518-Y520 PolarHBondContact O-N 2.84Å; Q518-T521 PolarHBondContact O-N 2.89Å; Q518-T521 VanDerWaalsContact O-N 3.16Å; Q518-L522 WeakPolarHBondContact O-CB 3.47Å; Q518-L522 PolarHBondContact O-N 3.39Å
519	V	94.6	Very high	90.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-38.1	178.6	178.3	0	0	0	0	112.2	N451 F454 L455 V490 I492 A515 E516 L522 M523	N451-V519 HydrophobicContact CB-CG1 3.59Å; N451-V519 WeakPolarHBondContact O-CG1 3.25Å; F454-V519 HydrophobicContact CD1-CB 4Å; F454-V519 HydrophobicContact CD1-CG1 4.13Å; F454-V519 HydrophobicContact CD1-CG2 3.72Å; F454-V519 HydrophobicContact CE1-CB 4.35Å; F454-V519 HydrophobicContact CE1-CG2 3.95Å; L455-V519 HydrophobicContact CD2-CB 4.09Å; L455-V519 HydrophobicContact CD2-CG1 4.07Å; L455-V519 HydrophobicContact CG-CG1 4.1Å; V490-V519 HydrophobicContact CB-CG2 3.8Å; V490-V519 HydrophobicContact CG1-CG2 4.22Å; V490-V519 HydrophobicContact CG2-CG2 3.79Å; I492-V519 HydrophobicContact CG2-CG2 3.41Å; I492-V519 VanDerWaalsContact CG2-CG2 3.41Å; A515-V519 WeakPolarHBondContact O-CG2 3.19Å; A515-V519 PolarHBondContact O-N 2.88Å; E516-V519 PolarHBondContact O-N 2.83Å; V519-L522 PolarHBondContact O-N 3.11Å; V519-M523 HydrophobicContact CG1-CE 4.17Å; V519-M523 PolarHBondContact O-N 2.91Å
520	Y	93.7	Very high	91.5	Very high	25 Å²	25	34.9 Å²	34.9	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-46.2	172.7	175.5	-87	0	0	0	111.4	F426 D427 L430 L455 E516 Q518 K524	F426-Y520 AromaticContact CD1-CD2 4Å; F426-Y520 HydrophobicContact CD1-CD2 4Å; F426-Y520 AromaticContact CD1-CE2 3.66Å; F426-Y520 HydrophobicContact CD1-CE2 3.66Å; F426-Y520 HydrophobicContact CE1-CD2 4.05Å; F426-Y520 HydrophobicContact CE1-CE2 4.19Å; D427-Y520 WeakPolarHBondContact OD2-CE2 3.32Å; D427-Y520 VanDerWaalsContact OD2-CZ 3.25Å; D427-Y520 PolarHBondContact OD2-OH 3.32Å; L430-Y520 HydrophobicContact CD1-CD2 3.93Å; L430-Y520 HydrophobicContact CD1-CE2 3.91Å; L455-Y520 HydrophobicContact CD1-CD2 4.19Å; E516-Y520 WeakPolarHBondContact O-CB 3.2Å; E516-Y520 PolarHBondContact O-N 2.68Å; Q518-Y520 VanDerWaalsContact C-N 3.34Å; Q518-Y520 PolarHBondContact O-N 2.84Å; Y520-K524 HydrophobicContact CD1-CD 4.47Å; Y520-K524 HydrophobicContact CE1-CD 3.55Å; Y520-K524 WeakPolarHBondContact O-CB 3.3Å; Y520-K524 PolarHBondContact O-N 3.15Å; Y520-K524 PolarHBondContact OH-NZ 3.11Å
521	T	91.5	Very high	92.2	Very high	76 Å²	76	34.2 Å²	34.2	47%	0.466	18%	0.176	S	C	.	.	H	α-helix	trans	-66.1	-41.4	178.9	-58.9	0	0	0	0	111.6	N517 Q518 K524 T525	N517-T521 VanDerWaalsContact O-CB 3.29Å; N517-T521 WeakPolarHBondContact O-CB 3.28Å; N517-T521 PolarHBondContact O-N 2.95Å; N517-T521 PolarHBondContact O-OG1 2.92Å; Q518-T521 PolarHBondContact O-N 2.89Å; Q518-T521 VanDerWaalsContact O-N 3.16Å; T521-K524 PolarHBondContact O-N 3.04Å; T521-T525 HydrophobicContact CG2-CG2 4.23Å; T521-T525 WeakPolarHBondContact O-CB 3.4Å; T521-T525 WeakPolarHBondContact O-CG2 3.41Å; T521-T525 PolarHBondContact O-N 3.12Å; T521-T525 PolarHBondContact O-OG1 2.59Å
522	L	94.6	Very high	92.6	Very high	49 Å²	49	35.8 Å²	35.8	26%	0.257	18%	0.184	S	C	.	.	H	α-helix	trans	-55.1	-59.8	174.6	177.9	61.6	0	0	0	110.9	N491 Q518 V519 K524 T525 D526	N491-L522 HydrophobicContact CB-CD2 4.23Å; Q518-L522 WeakPolarHBondContact O-CB 3.47Å; Q518-L522 PolarHBondContact O-N 3.39Å; V519-L522 PolarHBondContact O-N 3.11Å; L522-K524 PolarHBondContact O-N 3.35Å; L522-T525 PolarHBondContact O-N 2.92Å; L522-T525 PolarHBondContact O-OG1 2.67Å; L522-D526 WeakPolarHBondContact O-CB 3.5Å; L522-D526 PolarHBondContact O-N 2.98Å
523	M	94	Very high	92.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-39.1	179.7	-74.2	-166.3	-69.9	0	0	112.9	F426 F439 L443 N451 L452 L455 V519 T525 S527 F528	F426-M523 HydrophobicContact CE1-CB 3.96Å; F426-M523 HydrophobicContact CZ-CB 3.61Å; F426-M523 HydrophobicContact CZ-CE 4.17Å; F426-M523 HydrophobicContact CZ-SD 4.42Å; F439-M523 HydrophobicContact CE1-SD 3.84Å; F439-M523 HydrophobicContact CZ-SD 4.26Å; L443-M523 HydrophobicContact CD1-SD 3.78Å; N451-M523 HydrophobicContact CB-CE 3.99Å; N451-M523 HydrophobicContact CB-CG 3.76Å; N451-M523 HydrophobicContact CB-SD 3.59Å; N451-M523 VanDerWaalsContact CB-SD 3.59Å; N451-M523 WeakPolarHBondContact O-CE 3.09Å; L452-M523 HydrophobicContact CB-CE 4.34Å; L452-M523 HydrophobicContact CB-SD 4.05Å; L455-M523 HydrophobicContact CB-CE 4.45Å; L455-M523 HydrophobicContact CD1-CE 3.26Å; L455-M523 HydrophobicContact CG-CE 3.64Å; V519-M523 HydrophobicContact CG1-CE 4.17Å; V519-M523 PolarHBondContact O-N 2.91Å; M523-T525 VanDerWaalsContact C-N 3.29Å; M523-T525 PolarHBondContact O-N 3.08Å; M523-S527 PolarHBondContact O-N 3.17Å; M523-F528 WeakPolarHBondContact O-CB 3.34Å; M523-F528 PolarHBondContact O-N 3.49Å
524	K	93.6	Very high	93.3	Very high	60 Å²	60	41 Å²	41	26%	0.261	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-28.6	-179.4	-169.3	164.7	-166.8	167.4	0	113.2	D425 F426 Y520 T521 L522 P529	D425-K524 WeakPolarHBondContact OD1-CE 3.33Å; D425-K524 IonicContact OD1-NZ 2.81Å; D425-K524 PolarHBondContact OD1-NZ 2.61Å; F426-K524 HydrophobicContact CB-CD 3.86Å; F426-K524 HydrophobicContact CB-CG 3.92Å; F426-K524 HydrophobicContact CD1-CB 3.65Å; F426-K524 HydrophobicContact CD1-CD 4.06Å; F426-K524 HydrophobicContact CD1-CG 3.97Å; F426-K524 HydrophobicContact CE1-CB 4.08Å; F426-K524 HydrophobicContact CG-CB 4.25Å; F426-K524 HydrophobicContact CG-CD 4.39Å; F426-K524 HydrophobicContact CG-CG 4.18Å; Y520-K524 HydrophobicContact CD1-CD 4.47Å; Y520-K524 HydrophobicContact CE1-CD 3.55Å; Y520-K524 WeakPolarHBondContact O-CB 3.3Å; Y520-K524 PolarHBondContact O-N 3.15Å; Y520-K524 PolarHBondContact OH-NZ 3.11Å; T521-K524 PolarHBondContact O-N 3.04Å; L522-K524 PolarHBondContact O-N 3.35Å; K524-P529 WeakPolarHBondContact O-CD 3.19Å
525	T	93.2	Very high	93.8	Very high	99 Å²	99	42.9 Å²	42.9	61%	0.607	23%	0.231	S	C	*	.	H	α-helix	trans	-96.2	-25.7	-177.7	55.3	0	0	0	0	113.8	T521 L522 M523	T521-T525 HydrophobicContact CG2-CG2 4.23Å; T521-T525 WeakPolarHBondContact O-CB 3.4Å; T521-T525 WeakPolarHBondContact O-CG2 3.41Å; T521-T525 PolarHBondContact O-N 3.12Å; T521-T525 PolarHBondContact O-OG1 2.59Å; L522-T525 PolarHBondContact O-N 2.92Å; L522-T525 PolarHBondContact O-OG1 2.67Å; M523-T525 VanDerWaalsContact C-N 3.29Å; M523-T525 PolarHBondContact O-N 3.08Å
526	D	93.5	Very high	93.7	Very high	66 Å²	66	45.3 Å²	45.3	35%	0.353	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-76.7	-175.8	-179.1	22.7	0	0	0	113.3	L522 F528 P529 R530	L522-D526 WeakPolarHBondContact O-CB 3.5Å; L522-D526 PolarHBondContact O-N 2.98Å; D526-F528 PolarHBondContact O-N 3.1Å; D526-P529 WeakPolarHBondContact O-CD 3.37Å; D526-R530 WeakPolarHBondContact O-CG 3.31Å; D526-R530 PolarHBondContact O-N 3.16Å; D526-R530 IonicContact OD1-CZ 3.24Å; D526-R530 VanDerWaalsContact OD1-CZ 3.24Å; D526-R530 IonicContact OD1-NE 2.8Å; D526-R530 PolarHBondContact OD1-NE 2.91Å; D526-R530 IonicContact OD1-NH2 2.96Å; D526-R530 PolarHBondContact OD1-NH2 2.68Å; D526-R530 IonicContact OD2-CZ 3.75Å; D526-R530 IonicContact OD2-NH2 2.71Å; D526-R530 PolarHBondContact OD2-NH2 2.81Å
527	S	95.6	Very high	93.8	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.028	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-35.7	-171.8	-44.5	0	0	0	0	113.9	F442 L443 M523 R530 F531	F442-S527 WeakPolarHBondContact CE1-O 3.35Å; L443-S527 VanDerWaalsContact CD2-CB 3.47Å; M523-S527 PolarHBondContact O-N 3.17Å; S527-R530 PolarHBondContact O-N 2.94Å; S527-F531 PolarHBondContact O-N 2.94Å
528	F	96.4	Very high	94	Very high	17 Å²	17	46.6 Å²	46.6	8%	0.075	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-46.7	-178.3	172	-120.4	0	0	0	112.8	W422 F426 L429 F439 M523 D526 R530 F531 L532	W422-F528 WeakPolarHBondContact O-CE2 3.3Å; W422-F528 VanDerWaalsContact O-CZ 3.3Å; W422-F528 WeakPolarHBondContact O-CZ 3.49Å; F426-F528 HydrophobicContact CB-CD1 3.93Å; F426-F528 HydrophobicContact CB-CE1 3.78Å; F426-F528 HydrophobicContact CB-CG 4.44Å; F426-F528 HydrophobicContact CB-CZ 4.15Å; F426-F528 HydrophobicContact CD2-CB 3.87Å; F426-F528 AromaticContact CD2-CD1 3.87Å; F426-F528 HydrophobicContact CD2-CD1 3.87Å; F426-F528 AromaticContact CD2-CD2 3.54Å; F426-F528 HydrophobicContact CD2-CD2 3.54Å; F426-F528 HydrophobicContact CD2-CE1 4.24Å; F426-F528 AromaticContact CD2-CE2 3.94Å; F426-F528 HydrophobicContact CD2-CE2 3.94Å; F426-F528 AromaticContact CD2-CG 3.48Å; F426-F528 HydrophobicContact CD2-CG 3.48Å; F426-F528 VanDerWaalsContact CD2-CG 3.48Å; F426-F528 HydrophobicContact CD2-CZ 4.26Å; F426-F528 HydrophobicContact CE2-CB 3.9Å; F426-F528 HydrophobicContact CE2-CD2 4.03Å; F426-F528 AromaticContact CE2-CG 3.99Å; F426-F528 HydrophobicContact CE2-CG 3.99Å; F426-F528 HydrophobicContact CG-CD1 4.11Å; F426-F528 HydrophobicContact CG-CE1 4.38Å; F426-F528 HydrophobicContact CG-CG 4.17Å; L429-F528 HydrophobicContact CB-CE2 4.43Å; L429-F528 HydrophobicContact CD1-CD2 3.72Å; L429-F528 HydrophobicContact CD1-CE2 3.63Å; F439-F528 HydrophobicContact CZ-CB 4.26Å; M523-F528 WeakPolarHBondContact O-CB 3.34Å; M523-F528 PolarHBondContact O-N 3.49Å; D526-F528 PolarHBondContact O-N 3.1Å; F528-R530 VanDerWaalsContact C-N 3.29Å; F528-R530 PolarHBondContact O-N 3.39Å; F528-F531 HydrophobicContact CD2-CD1 4.46Å; F528-F531 WeakPolarHBondContact O-CB 3.31Å; F528-F531 PolarHBondContact O-N 2.99Å; F528-L532 HydrophobicContact CD2-CD1 4.45Å; F528-L532 HydrophobicContact CD2-CG 4.26Å; F528-L532 HydrophobicContact CE1-CD1 4.08Å; F528-L532 HydrophobicContact CE2-CD1 3.89Å; F528-L532 HydrophobicContact CE2-CD2 4Å; F528-L532 HydrophobicContact CE2-CG 3.93Å; F528-L532 HydrophobicContact CZ-CD1 3.7Å; F528-L532 HydrophobicContact CZ-CD2 4.49Å; F528-L532 HydrophobicContact CZ-CG 4.26Å; F528-L532 WeakPolarHBondContact O-CG 3.37Å; F528-L532 PolarHBondContact O-N 2.81Å; F528-L532 VanDerWaalsContact O-N 3.07Å
529	P	95.7	Very high	94	Very high	43 Å²	43	46.9 Å²	46.9	28%	0.279	26%	0.257	S	S	.	.	H	α-helix	trans	-53.1	-43.2	167.6	-30.2	35.3	0	0	0	113.7	K524 D526 L532 E533	K524-P529 WeakPolarHBondContact O-CD 3.19Å; D526-P529 WeakPolarHBondContact O-CD 3.37Å; P529-L532 PolarHBondContact O-N 3.41Å; P529-E533 PolarHBondContact O-N 3.13Å
530	R	96.3	Very high	93.8	Very high	90 Å²	90	48.7 Å²	48.7	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-40	178.2	-64.3	-170.4	-88.5	149.2	-7.6	112.1	F442 E446 D526 S527 F528 L532 E533 S534	F442-R530 HydrophobicContact CE1-CB 4.25Å; F442-R530 HydrophobicContact CZ-CB 3.64Å; E446-R530 IonicContact OE1-CZ 3.45Å; E446-R530 IonicContact OE1-NE 3.82Å; E446-R530 IonicContact OE1-NH1 2.67Å; E446-R530 PolarHBondContact OE1-NH1 2.74Å; E446-R530 IonicContact OE2-CZ 3.22Å; E446-R530 IonicContact OE2-NE 3.8Å; E446-R530 IonicContact OE2-NH1 2.98Å; E446-R530 PolarHBondContact OE2-NH1 3.36Å; E446-R530 IonicContact OE2-NH2 3.6Å; D526-R530 WeakPolarHBondContact O-CG 3.31Å; D526-R530 PolarHBondContact O-N 3.16Å; D526-R530 IonicContact OD1-CZ 3.24Å; D526-R530 VanDerWaalsContact OD1-CZ 3.24Å; D526-R530 IonicContact OD1-NE 2.8Å; D526-R530 PolarHBondContact OD1-NE 2.91Å; D526-R530 IonicContact OD1-NH2 2.96Å; D526-R530 PolarHBondContact OD1-NH2 2.68Å; D526-R530 IonicContact OD2-CZ 3.75Å; D526-R530 IonicContact OD2-NH2 2.71Å; D526-R530 PolarHBondContact OD2-NH2 2.81Å; S527-R530 PolarHBondContact O-N 2.94Å; F528-R530 VanDerWaalsContact C-N 3.29Å; F528-R530 PolarHBondContact O-N 3.39Å; R530-L532 PolarHBondContact O-N 2.97Å; R530-E533 CarbonylContact O-C 3.51Å; R530-E533 PolarHBondContact O-N 2.81Å; R530-E533 VanDerWaalsContact O-N 3.14Å; R530-S534 PolarHBondContact O-N 2.98Å
531	F	97	Very high	93.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.7	-42.9	173.7	171.1	-108.9	0	0	0	112.6	W422 L429 E438 F439 F442 S527 F528 E533 S534 Y537	W422-F531 HydrophobicContact CE3-CE1 4.3Å; W422-F531 HydrophobicContact CE3-CZ 4.25Å; W422-F531 HydrophobicContact CZ3-CZ 4.27Å; L429-F531 HydrophobicContact CD1-CD1 3.81Å; L429-F531 HydrophobicContact CD1-CE1 3.6Å; E438-F531 HydrophobicContact CB-CE2 4.37Å; E438-F531 HydrophobicContact CB-CZ 4.29Å; F439-F531 HydrophobicContact CB-CE2 4.33Å; F439-F531 HydrophobicContact CB-CZ 4.31Å; F439-F531 HydrophobicContact CD2-CB 3.66Å; F439-F531 AromaticContact CD2-CD1 3.93Å; F439-F531 HydrophobicContact CD2-CD1 3.93Å; F439-F531 AromaticContact CD2-CD2 3.86Å; F439-F531 HydrophobicContact CD2-CD2 3.86Å; F439-F531 HydrophobicContact CD2-CE2 4.46Å; F439-F531 AromaticContact CD2-CG 3.54Å; F439-F531 HydrophobicContact CD2-CG 3.54Å; F439-F531 HydrophobicContact CE2-CB 3.72Å; F439-F531 HydrophobicContact CE2-CG 4.12Å; F442-F531 HydrophobicContact CB-CD2 3.73Å; F442-F531 HydrophobicContact CB-CE2 4.32Å; F442-F531 HydrophobicContact CD1-CB 3.72Å; F442-F531 HydrophobicContact CD1-CD2 4.14Å; F442-F531 HydrophobicContact CD1-CG 4.38Å; F442-F531 HydrophobicContact CD2-CD2 4.27Å; F442-F531 HydrophobicContact CE1-CB 3.78Å; F442-F531 HydrophobicContact CG-CB 4.11Å; F442-F531 AromaticContact CG-CD2 3.78Å; F442-F531 HydrophobicContact CG-CD2 3.78Å; F442-F531 HydrophobicContact CG-CG 4.43Å; F442-F531 HydrophobicContact CZ-CB 4.22Å; S527-F531 PolarHBondContact O-N 2.94Å; F528-F531 HydrophobicContact CD2-CD1 4.46Å; F528-F531 WeakPolarHBondContact O-CB 3.31Å; F528-F531 PolarHBondContact O-N 2.99Å; F531-E533 PolarHBondContact O-N 2.81Å; F531-S534 VanDerWaalsContact O-CB 3.24Å; F531-S534 WeakPolarHBondContact O-CB 3.45Å; F531-S534 PolarHBondContact O-N 3.33Å; F531-S534 PolarHBondContact O-OG 3.09Å; F531-Y537 HydrophobicContact CE1-CD2 4.03Å; F531-Y537 HydrophobicContact CE1-CG 4.29Å; F531-Y537 HydrophobicContact CZ-CD2 4.12Å; F531-Y537 HydrophobicContact CZ-CG 4.37Å; F531-Y537 WeakPolarHBondContact O-CB 3.32Å
532	L	95	Very high	93.7	Very high	39 Å²	39	48.7 Å²	48.7	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-68.6	-15.7	178.3	-65.1	-177	0	0	0	113.8	A423 F528 P529 R530 Y537	A423-L532 HydrophobicContact CB-CD1 3.98Å; A423-L532 HydrophobicContact CB-CD2 3.77Å; F528-L532 HydrophobicContact CD2-CD1 4.45Å; F528-L532 HydrophobicContact CD2-CG 4.26Å; F528-L532 HydrophobicContact CE1-CD1 4.08Å; F528-L532 HydrophobicContact CE2-CD1 3.89Å; F528-L532 HydrophobicContact CE2-CD2 4Å; F528-L532 HydrophobicContact CE2-CG 3.93Å; F528-L532 HydrophobicContact CZ-CD1 3.7Å; F528-L532 HydrophobicContact CZ-CD2 4.49Å; F528-L532 HydrophobicContact CZ-CG 4.26Å; F528-L532 WeakPolarHBondContact O-CG 3.37Å; F528-L532 PolarHBondContact O-N 2.81Å; F528-L532 VanDerWaalsContact O-N 3.07Å; P529-L532 PolarHBondContact O-N 3.41Å; R530-L532 PolarHBondContact O-N 2.97Å; L532-Y537 HydrophobicContact CB-CD1 4.48Å; L532-Y537 HydrophobicContact CB-CE1 4.42Å; L532-Y537 HydrophobicContact CD2-CD1 4.11Å; L532-Y537 HydrophobicContact CD2-CE1 3.77Å; L532-Y537 HydrophobicContact CD2-CE2 4.23Å; L532-Y537 HydrophobicContact CD2-CG 4.47Å; L532-Y537 WeakPolarHBondContact O-CD1 3.37Å
533	E	93.1	Very high	93.4	Very high	109 Å²	109	51.2 Å²	51.2	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-97.9	-7.4	172.2	-65.1	-179.3	158.9	0	0	112.4	P529 R530 F531 L538	P529-E533 PolarHBondContact O-N 3.13Å; R530-E533 CarbonylContact O-C 3.51Å; R530-E533 PolarHBondContact O-N 2.81Å; R530-E533 VanDerWaalsContact O-N 3.14Å; F531-E533 PolarHBondContact O-N 2.81Å; E533-L538 WeakPolarHBondContact O-CD1 3.32Å
534	S	94.4	Very high	93.2	Very high	17 Å²	17	53.2 Å²	53.2	12%	0.119	29%	0.287	C	S	.	.	S	Bend	trans	-70.7	148.4	-175.7	77.2	0	0	0	0	114.2	R530 F531 N536 Y537 L538	R530-S534 PolarHBondContact O-N 2.98Å; F531-S534 VanDerWaalsContact O-CB 3.24Å; F531-S534 WeakPolarHBondContact O-CB 3.45Å; F531-S534 PolarHBondContact O-N 3.33Å; F531-S534 PolarHBondContact O-OG 3.09Å; S534-N536 VanDerWaalsContact C-N 3.3Å; S534-N536 PolarHBondContact O-N 3.03Å; S534-Y537 PolarHBondContact O-N 3.21Å; S534-Y537 PolarHBondContact OG-N 2.86Å; S534-L538 WeakPolarHBondContact O-CB 3.43Å; S534-L538 VanDerWaalsContact O-CG 3.25Å; S534-L538 WeakPolarHBondContact O-CG 3.41Å; S534-L538 PolarHBondContact O-N 2.95Å
535	S	93.1	Very high	92.8	Very high	104 Å²	104	54.9 Å²	54.9	73%	0.727	29%	0.294	S	S	*	.	H	α-helix	trans	-59.4	-37.3	176.9	54.4	0	0	0	0	113.1	S539	S535-S539 WeakPolarHBondContact O-CB 3.49Å; S535-S539 PolarHBondContact O-N 2.89Å
536	N	90.2	Very high	92.3	Very high	53 Å²	53	54.2 Å²	54.2	28%	0.283	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-58.2	177.4	-173.2	29.8	0	0	0	110.8	E438 S534 L538 S539 I540	E438-N536 PolarHBondContact OE2-ND2 3.06Å; S534-N536 VanDerWaalsContact C-N 3.3Å; S534-N536 PolarHBondContact O-N 3.03Å; N536-L538 VanDerWaalsContact C-N 3.32Å; N536-L538 PolarHBondContact O-N 3.29Å; N536-S539 PolarHBondContact O-N 3.13Å; N536-S539 VanDerWaalsContact O-N 3.1Å; N536-S539 PolarHBondContact O-OG 3.25Å; N536-I540 WeakPolarHBondContact O-CG1 3.39Å; N536-I540 PolarHBondContact O-N 3.36Å; N536-I540 WeakPolarHBondContact OD1-CD1 3.42Å
537	Y	93.9	Very high	91.4	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.035	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-42.5	179.4	171	-106.6	0	0	0	112.3	P419 W422 A423 F531 L532 S534 S539 I540 L541	P419-Y537 HydrophobicContact CB-CE2 4.14Å; P419-Y537 WeakPolarHBondContact O-CE2 3.36Å; P419-Y537 PolarHBondContact O-OH 3.45Å; W422-Y537 AromaticContact CE3-CD2 3.73Å; W422-Y537 HydrophobicContact CE3-CD2 3.73Å; W422-Y537 AromaticContact CE3-CE2 3.74Å; W422-Y537 HydrophobicContact CE3-CE2 3.74Å; W422-Y537 HydrophobicContact CZ3-CD2 4.04Å; W422-Y537 HydrophobicContact CZ3-CE2 4.39Å; A423-Y537 WeakPolarHBondContact CB-OH 3.47Å; F531-Y537 HydrophobicContact CE1-CD2 4.03Å; F531-Y537 HydrophobicContact CE1-CG 4.29Å; F531-Y537 HydrophobicContact CZ-CD2 4.12Å; F531-Y537 HydrophobicContact CZ-CG 4.37Å; F531-Y537 WeakPolarHBondContact O-CB 3.32Å; L532-Y537 HydrophobicContact CB-CD1 4.48Å; L532-Y537 HydrophobicContact CB-CE1 4.42Å; L532-Y537 HydrophobicContact CD2-CD1 4.11Å; L532-Y537 HydrophobicContact CD2-CE1 3.77Å; L532-Y537 HydrophobicContact CD2-CE2 4.23Å; L532-Y537 HydrophobicContact CD2-CG 4.47Å; L532-Y537 WeakPolarHBondContact O-CD1 3.37Å; S534-Y537 PolarHBondContact O-N 3.21Å; S534-Y537 PolarHBondContact OG-N 2.86Å; Y537-S539 VanDerWaalsContact C-N 3.33Å; Y537-S539 PolarHBondContact O-N 2.99Å; Y537-I540 PolarHBondContact O-N 2.84Å; Y537-L541 HydrophobicContact CE1-CD2 4.01Å; Y537-L541 VanDerWaalsContact O-CB 3.25Å; Y537-L541 WeakPolarHBondContact O-CB 3.19Å; Y537-L541 PolarHBondContact O-N 2.76Å
538	L	93.5	Very high	90.3	Very high	73 Å²	73	60.5 Å²	60.5	38%	0.382	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-36.4	177.2	-68.8	173.9	0	0	0	112.4	E533 S534 N536 N542	E533-L538 WeakPolarHBondContact O-CD1 3.32Å; S534-L538 WeakPolarHBondContact O-CB 3.43Å; S534-L538 VanDerWaalsContact O-CG 3.25Å; S534-L538 WeakPolarHBondContact O-CG 3.41Å; S534-L538 PolarHBondContact O-N 2.95Å; N536-L538 VanDerWaalsContact C-N 3.32Å; N536-L538 PolarHBondContact O-N 3.29Å; L538-N542 WeakPolarHBondContact O-CB 3.45Å; L538-N542 PolarHBondContact O-N 2.91Å; L538-N542 PolarHBondContact O-ND2 3.37Å
539	S	91.2	Very high	88.7	Confident	52 Å²	52	63.6 Å²	63.6	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-46.7	174.9	80.5	0	0	0	0	111.8	S535 N536 Y537 L541 N542 N543	S535-S539 WeakPolarHBondContact O-CB 3.49Å; S535-S539 PolarHBondContact O-N 2.89Å; N536-S539 PolarHBondContact O-N 3.13Å; N536-S539 VanDerWaalsContact O-N 3.1Å; N536-S539 PolarHBondContact O-OG 3.25Å; Y537-S539 VanDerWaalsContact C-N 3.33Å; Y537-S539 PolarHBondContact O-N 2.99Å; S539-L541 PolarHBondContact O-N 3.41Å; S539-N542 PolarHBondContact O-N 3.1Å; S539-N543 VanDerWaalsContact O-CG 3.24Å; S539-N543 PolarHBondContact O-N 2.97Å; S539-N543 PolarHBondContact O-ND2 3.33Å
540	I	91.4	Very high	86.9	Confident	38 Å²	38	64.6 Å²	64.6	20%	0.195	35%	0.35	C	S	.	.	H	α-helix	trans	-59.5	-47.5	177.2	-66.5	159.2	0	0	0	110.3	P419 W422 E438 N536 Y537 N542 N543 F544	P419-I540 HydrophobicContact CB-CG2 4.11Å; P419-I540 HydrophobicContact CG-CG2 3.55Å; W422-I540 HydrophobicContact CH2-CG2 4.1Å; W422-I540 HydrophobicContact CZ3-CG2 4.24Å; E438-I540 HydrophobicContact CB-CD1 4.21Å; E438-I540 HydrophobicContact CG-CD1 3.78Å; N536-I540 WeakPolarHBondContact O-CG1 3.39Å; N536-I540 PolarHBondContact O-N 3.36Å; N536-I540 WeakPolarHBondContact OD1-CD1 3.42Å; Y537-I540 PolarHBondContact O-N 2.84Å; I540-N542 VanDerWaalsContact C-N 3.32Å; I540-N542 PolarHBondContact O-N 3.45Å; I540-N543 PolarHBondContact O-N 2.8Å; I540-F544 VanDerWaalsContact O-CB 3.3Å; I540-F544 WeakPolarHBondContact O-CB 3.45Å; I540-F544 PolarHBondContact O-N 3.49Å
541	L	91.6	Very high	84.7	Confident	19 Å²	19	69.9 Å²	69.9	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-36.2	178.1	-179.4	65.7	0	0	0	112.3	P419 I420 Y537 S539 K545	P419-L541 HydrophobicContact CB-CB 4.47Å; P419-L541 HydrophobicContact CB-CD1 4.13Å; I420-L541 HydrophobicContact CG1-CD1 3.8Å; Y537-L541 HydrophobicContact CE1-CD2 4.01Å; Y537-L541 VanDerWaalsContact O-CB 3.25Å; Y537-L541 WeakPolarHBondContact O-CB 3.19Å; Y537-L541 PolarHBondContact O-N 2.76Å; S539-L541 PolarHBondContact O-N 3.41Å; L541-K545 WeakPolarHBondContact O-CD 3.48Å; L541-K545 VanDerWaalsContact O-CG 3.24Å; L541-K545 WeakPolarHBondContact O-CG 3.26Å; L541-K545 PolarHBondContact O-N 3.41Å; L541-K545 VanDerWaalsContact O-N 3.12Å
542	N	90.6	Very high	82.2	Confident	82 Å²	82	78.2 Å²	78.2	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-73.4	-45.9	177.4	-73.4	-17.5	0	0	0	112	L538 S539 I540 F544 K545 V546	L538-N542 WeakPolarHBondContact O-CB 3.45Å; L538-N542 PolarHBondContact O-N 2.91Å; L538-N542 PolarHBondContact O-ND2 3.37Å; S539-N542 PolarHBondContact O-N 3.1Å; I540-N542 VanDerWaalsContact C-N 3.32Å; I540-N542 PolarHBondContact O-N 3.45Å; N542-F544 VanDerWaalsContact C-N 3.25Å; N542-F544 PolarHBondContact O-N 2.81Å; N542-K545 WeakPolarHBondContact O-CB 3.41Å; N542-K545 PolarHBondContact O-N 3.2Å; N542-K545 VanDerWaalsContact O-N 3.08Å; N542-K545 PolarHBondContact OD1-NZ 3.03Å; N542-V546 WeakPolarHBondContact O-CG2 3.25Å; N542-V546 PolarHBondContact O-N 3.15Å
543	N	89	Confident	79.8	Confident	101 Å²	101	80.2 Å²	80.2	54%	0.54	42%	0.423	S	S	.	.	H	α-helix	trans	-56.3	-42.5	174.5	-68.4	-17.1	0	0	0	111.3	S539 I540 V546 N547	S539-N543 VanDerWaalsContact O-CG 3.24Å; S539-N543 PolarHBondContact O-N 2.97Å; S539-N543 PolarHBondContact O-ND2 3.33Å; I540-N543 PolarHBondContact O-N 2.8Å; N543-V546 PolarHBondContact O-N 3.11Å; N543-N547 WeakPolarHBondContact O-CB 3.46Å; N543-N547 VanDerWaalsContact O-CG 3.31Å; N543-N547 PolarHBondContact O-N 3.36Å; N543-N547 PolarHBondContact O-ND2 3.4Å
544	F	88.3	Confident	77.3	Confident	42 Å²	42	79.3 Å²	79.3	18%	0.184	43%	0.425	C	S	.	.	H	α-helix	trans	-65.1	-37.8	176	-175.3	-103.2	0	0	0	113.6	S417 N418 P419 I420 I540 N542 K548	S417-F544 WeakPolarHBondContact O-CE2 3.33Å; N418-F544 HydrophobicContact CB-CZ 4Å; N418-F544 WeakPolarHBondContact OD1-CE1 3.33Å; N418-F544 WeakPolarHBondContact OD1-CZ 3.32Å; P419-F544 HydrophobicContact CG-CB 4.16Å; P419-F544 HydrophobicContact CG-CD1 4.46Å; P419-F544 HydrophobicContact CG-CD2 4.36Å; P419-F544 HydrophobicContact CG-CG 4.12Å; I420-F544 HydrophobicContact CD1-CD1 4.34Å; I420-F544 HydrophobicContact CD1-CE1 3.94Å; I420-F544 HydrophobicContact CG1-CD1 4.31Å; I420-F544 HydrophobicContact CG1-CE1 4.09Å; I540-F544 VanDerWaalsContact O-CB 3.3Å; I540-F544 WeakPolarHBondContact O-CB 3.45Å; I540-F544 PolarHBondContact O-N 3.49Å; N542-F544 VanDerWaalsContact C-N 3.25Å; N542-F544 PolarHBondContact O-N 2.81Å; F544-K548 HydrophobicContact CD1-CD 4.33Å; F544-K548 HydrophobicContact CE1-CD 3.87Å; F544-K548 HydrophobicContact CZ-CD 4.23Å; F544-K548 VanDerWaalsContact CZ-NZ 3.29Å; F544-K548 PolarHBondContact O-N 2.9Å; F544-K548 VanDerWaalsContact O-N 3.13Å
545	K	85.5	Confident	74.8	Confident	95 Å²	95	84 Å²	84	41%	0.413	45%	0.453	S	S	.	.	H	α-helix	trans	-66.1	-45.4	173.3	-73.5	163.3	-172.4	161.3	0	111.9	L541 N542 N547 K548 S549	L541-K545 WeakPolarHBondContact O-CD 3.48Å; L541-K545 VanDerWaalsContact O-CG 3.24Å; L541-K545 WeakPolarHBondContact O-CG 3.26Å; L541-K545 PolarHBondContact O-N 3.41Å; L541-K545 VanDerWaalsContact O-N 3.12Å; N542-K545 WeakPolarHBondContact O-CB 3.41Å; N542-K545 PolarHBondContact O-N 3.2Å; N542-K545 VanDerWaalsContact O-N 3.08Å; N542-K545 PolarHBondContact OD1-NZ 3.03Å; K545-N547 VanDerWaalsContact C-N 3.34Å; K545-N547 PolarHBondContact O-N 3.49Å; K545-K548 PolarHBondContact O-N 3.27Å; K545-S549 PolarHBondContact O-N 2.98Å; K545-S549 PolarHBondContact O-OG 3.17Å
546	V	82.4	Confident	71.9	Confident	85 Å²	85	89.3 Å²	89.3	52%	0.515	46%	0.457	S	S	.	.	H	α-helix	trans	-57.9	-48	177.1	172.2	0	0	0	0	110.2	N542 N543 K548 S549 S550	N542-V546 WeakPolarHBondContact O-CG2 3.25Å; N542-V546 PolarHBondContact O-N 3.15Å; N543-V546 PolarHBondContact O-N 3.11Å; V546-K548 VanDerWaalsContact C-N 3.3Å; V546-K548 PolarHBondContact O-N 2.87Å; V546-S549 WeakPolarHBondContact O-CB 3.45Å; V546-S549 PolarHBondContact O-N 2.98Å; V546-S550 PolarHBondContact O-N 3.49Å; V546-S550 PolarHBondContact O-OG 3.1Å
547	N	75.5	Confident	69.2	Low	99 Å²	99	93.6 Å²	93.6	53%	0.529	48%	0.48	S	S	.	.	H	α-helix	trans	-62.8	-31.5	178.2	-71.7	-20.6	0	0	0	113.5	N543 K545 R551	N543-N547 WeakPolarHBondContact O-CB 3.46Å; N543-N547 VanDerWaalsContact O-CG 3.31Å; N543-N547 PolarHBondContact O-N 3.36Å; N543-N547 PolarHBondContact O-ND2 3.4Å; K545-N547 VanDerWaalsContact C-N 3.34Å; K545-N547 PolarHBondContact O-N 3.49Å; N547-R551 WeakPolarHBondContact O-CG 3.39Å; N547-R551 PolarHBondContact O-N 3.49Å
548	K	71.5	Confident	66.7	Low	103 Å²	103	101.3 Å²	101.3	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-72.5	-28.7	171.5	-81.3	-176.4	172.1	177.7	0	113.4	N418 F544 K545 V546	N418-K548 PolarHBondContact OD1-NZ 3.48Å; F544-K548 HydrophobicContact CD1-CD 4.33Å; F544-K548 HydrophobicContact CE1-CD 3.87Å; F544-K548 HydrophobicContact CZ-CD 4.23Å; F544-K548 VanDerWaalsContact CZ-NZ 3.29Å; F544-K548 PolarHBondContact O-N 2.9Å; F544-K548 VanDerWaalsContact O-N 3.13Å; K545-K548 PolarHBondContact O-N 3.27Å; V546-K548 VanDerWaalsContact C-N 3.3Å; V546-K548 PolarHBondContact O-N 2.87Å
549	S	63.9	Low	64	Low	82 Å²	82	102.5 Å²	102.5	57%	0.573	53%	0.531	S	S	*	.	H	α-helix	trans	-74.9	-48.9	174.8	-66.6	0	0	0	0	112	K545 V546 R551 K552	K545-S549 PolarHBondContact O-N 2.98Å; K545-S549 PolarHBondContact O-OG 3.17Å; V546-S549 WeakPolarHBondContact O-CB 3.45Å; V546-S549 PolarHBondContact O-N 2.98Å; S549-R551 PolarHBondContact O-N 2.76Å; S549-K552 WeakPolarHBondContact O-CB 3.35Å; S549-K552 PolarHBondContact O-N 3.16Å
550	S	58	Low	61.4	Low	64 Å²	64	108.9 Å²	108.9	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-27.2	-177.6	-55.2	0	0	0	0	113.6	V546 K552 S553 T554	V546-S550 PolarHBondContact O-N 3.49Å; V546-S550 PolarHBondContact O-OG 3.1Å; S550-K552 VanDerWaalsContact C-N 3.27Å; S550-K552 PolarHBondContact O-N 2.92Å; S550-S553 PolarHBondContact O-OG 2.88Å; S550-T554 PolarHBondContact O-OG1 2.99Å
551	R	49.3	Very low	58.7	Low	202 Å²	202	114.6 Å²	114.6	76%	0.762	58%	0.581	S	S	*	*	H	α-helix	trans	-73.5	-11.2	173.9	-73	-179.9	177.4	175.1	0.2	114.3	N547 S549	N547-R551 WeakPolarHBondContact O-CG 3.39Å; N547-R551 PolarHBondContact O-N 3.49Å; S549-R551 PolarHBondContact O-N 2.76Å
552	K	45.5	Very low	55.9	Low	175 Å²	175	123.8 Å²	123.8	76%	0.761	62%	0.621	S	S	*	*	H	α-helix	trans	-90.9	-18.8	178.3	-73.5	-174.8	173.6	-176.4	0	114.4	S549 S550	S549-K552 WeakPolarHBondContact O-CB 3.35Å; S549-K552 PolarHBondContact O-N 3.16Å; S550-K552 VanDerWaalsContact C-N 3.27Å; S550-K552 PolarHBondContact O-N 2.92Å
553	S	43.8	Very low	53.5	Low	81 Å²	81	129 Å²	129	57%	0.566	64%	0.64	S	S	*	*	H	α-helix	trans	-81.4	-37.6	178.4	41.5	0	0	0	0	112.9	S550 V555	S550-S553 PolarHBondContact O-OG 2.88Å; S553-V555 VanDerWaalsContact C-N 3.32Å; S553-V555 PolarHBondContact O-N 2.97Å
554	T	40.3	Very low	50.9	Low	89 Å²	89	131.8 Å²	131.8	55%	0.546	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-68.1	-25.1	-172.6	-37.9	0	0	0	0	114.4	S550 R556	S550-T554 PolarHBondContact O-OG1 2.99Å; T554-R556 VanDerWaalsContact C-N 3.29Å; T554-R556 PolarHBondContact O-N 3.02Å
555	V	41.5	Very low	48.5	Very low	115 Å²	115	139.3 Å²	139.3	70%	0.697	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-80	-4.4	-173	-172.7	0	0	0	0	113.4	S553	S553-V555 VanDerWaalsContact C-N 3.32Å; S553-V555 PolarHBondContact O-N 2.97Å
556	R	33.8	Very low	46.2	Very low	216 Å²	216	139.1 Å²	139.1	82%	0.815	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-98.5	-8.7	-179.8	-95	-176.6	176.7	176.4	-0.2	116.5	T554	T554-R556 VanDerWaalsContact C-N 3.29Å; T554-R556 PolarHBondContact O-N 3.02Å
557	N	33.6	Very low	44	Very low	143 Å²	143	142 Å²	142	77%	0.765	71%	0.71	S	S	*	*	S	Bend	trans	-109.3	2.6	-175.3	-79.9	9.5	0	0	0	115.3
558	Q	41.4	Very low	42.3	Very low	172 Å²	172	143 Å²	143	80%	0.804	72%	0.72	S	S	*	*	S	Bend	trans	-97.4	7.7	178.9	-68.9	-174.8	-17.5	0	0	114.4
559	S	36.5	Very low	40.6	Very low	98 Å²	98	143 Å²	143	69%	0.685	73%	0.732	S	S	*	*	S	Bend	trans	-125.3	20.9	-174.6	54.2	0	0	0	0	114.7
560	K	36.1	Very low	39.6	Very low	185 Å²	185	146.1 Å²	146.1	80%	0.804	74%	0.741	S	S	*	*	S	Bend	trans	-152.2	76.7	173.2	-77.6	-178.7	179.1	173.5	0	112.2
561	I	34.8	Very low	38.6	Very low	158 Å²	158	148.4 Å²	148.4	81%	0.81	75%	0.748	S	S	*	*			trans	-174.2	97.6	154.3	-90.9	140.2	0	0	0	105.6
562	F	33.6	Very low	38.2	Very low	213 Å²	213	148.2 Å²	148.2	93%	0.934	75%	0.748	S	S	*	*			trans	-175.4	58.3	167.8	-99.1	-61	0	0	0	109.5
563	K	39.9	Very low	37.8	Very low	192 Å²	192	148.1 Å²	148.1	84%	0.835	75%	0.752	S	S	*	*			trans	-148.7	102.8	171.5	-77.9	-163.7	176.1	-174.8	0	110.9
564	N	33.2	Very low	37.5	Very low	159 Å²	159	148.8 Å²	148.8	85%	0.85	76%	0.757	S	S	*	*			trans	65	163.2	167.4	-49.9	-20.5	0	0	0	114.2
565	K	38.7	Very low	37.5	Very low	200 Å²	200	148.9 Å²	148.9	87%	0.87	76%	0.761	S	S	*	*			cis	-141.9	168.2	1.5	-150.2	171.7	-178.8	-176.2	0	110
566	S	37.8	Very low	37.4	Very low	90 Å²	90	152.1 Å²	152.1	63%	0.629	77%	0.766	S	S	*	*			trans	-79.8	152.5	-174	54.1	0	0	0	0	115.7
567	N	35.7	Very low	37.5	Very low	147 Å²	147	149.3 Å²	149.3	79%	0.786	77%	0.765	S	S	*	*			trans	88.8	126.1	142.5	-69.8	1.7	0	0	0	122.9
568	V	38.6	Very low	37.5	Very low	119 Å²	119	147 Å²	147	72%	0.721	76%	0.76	S	S	*	*			trans	79.4	93.6	137.9	179.7	0	0	0	0	120
569	S	37.3	Very low	37	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	76%	0.758	S	S	*	*				36.8	133.6	117.7	-40.4	0	0	0	0	122.6
570	I	43	Very low	36.8	Very low	149 Å²	149	145.7 Å²	145.7	76%	0.764	76%	0.76	S	S	*	*				175.3	138.5	105	-91	170	0	0	0	111.1
571	D	37.2	Very low	36.7	Very low	112 Å²	112	142.3 Å²	142.3	60%	0.599	76%	0.755	S	S	*	*			trans	25	151.7	151.2	-65.5	12	0	0	0	122.4
572	R	39.6	Very low	36.6	Very low	197 Å²	197	141 Å²	141	74%	0.743	75%	0.75	S	S	*	*			cis	-168.4	160.5	16.8	-128.2	165.4	-122.3	-176.9	1.3	110.9
573	M	37.3	Very low	36.8	Very low	173 Å²	173	137.5 Å²	137.5	85%	0.852	74%	0.737	S	S	*	*			trans	32.6	150.7	141.3	-69.3	169.4	171.4	0	0	122
574	S	38.2	Very low	36.5	Very low	95 Å²	95	135.2 Å²	135.2	66%	0.664	73%	0.732	S	S	*	*			cis	-166.6	128.5	2.6	-120	0	0	0	0	107.8
575	S	38.9	Very low	36.5	Very low	92 Å²	92	138.3 Å²	138.3	64%	0.643	73%	0.732	S	S	*	*				86.1	150.5	81.1	79	0	0	0	0	116.7
576	K	39.3	Very low	36.4	Very low	183 Å²	183	137.1 Å²	137.1	80%	0.796	73%	0.727	S	S	*	*			trans	87.7	120.6	174.1	-56	-172	-178	-179.9	0	116.1
577	I	36.1	Very low	36.4	Very low	157 Å²	157	138.2 Å²	138.2	81%	0.805	73%	0.726	S	S	*	*				82.7	134.4	66	-73.2	167.1	0	0	0	111.8
578	S	34.7	Very low	36.5	Very low	94 Å²	94	139.6 Å²	139.6	66%	0.657	73%	0.728	S	S	*	*			cis	-170.1	157.6	-12.6	-91.8	0	0	0	0	112.2
579	T	30.8	Very low	36.4	Very low	124 Å²	124	141.1 Å²	141.1	76%	0.761	73%	0.732	S	S	*	*			trans	38.5	157.5	147.8	-25	0	0	0	0	124.5
580	T	32.3	Very low	36.3	Very low	119 Å²	119	139 Å²	139	73%	0.73	73%	0.726	S	S	*	*			trans	100.9	97.5	150.2	54	0	0	0	0	123.7
581	T	33.6	Very low	35.9	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	73%	0.726	S	S	*	*				67.9	146.3	119.3	-23.4	0	0	0	0	123.7
582	N	33.2	Very low	35.6	Very low	130 Å²	130	140.9 Å²	140.9	70%	0.695	74%	0.735	S	S	*	*			trans	75.1	150.8	158.2	-74.1	-30.2	0	0	0	117.5
583	Q	36.7	Very low	35.3	Very low	141 Å²	141	137 Å²	137	66%	0.659	74%	0.738	S	S	*	*			cis	-164.6	173.7	-10.5	-129.8	176	72.6	0	0	111.7
584	L	34.6	Very low	35	Very low	143 Å²	143	134.1 Å²	134.1	75%	0.749	74%	0.735	S	S	*	*			trans	65.5	158.1	162.1	-62.3	150.7	0	0	0	116.8
585	R	32.2	Very low	34.8	Very low	224 Å²	224	137.2 Å²	137.2	85%	0.845	74%	0.739	S	S	*	*			cis	151.7	161.4	-26.9	-100.9	-163.4	-178.1	-168.3	1.4	107.5
586	K	37.1	Very low	34.3	Very low	175 Å²	175	139.2 Å²	139.2	76%	0.761	75%	0.747	S	S	*	*			trans	90.5	142.4	173.5	-58.6	-173	143.5	-67.3	0	116.7
587	D	38.5	Very low	34.1	Very low	114 Å²	114	139.1 Å²	139.1	61%	0.61	75%	0.747	S	S	*	*			cis	-158.6	165.6	-15.5	-87.8	-25.8	0	0	0	109.1
588	E	36.6	Very low	33.7	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.822	74%	0.743	S	S	*	*			trans	-5.2	148.8	158.3	-32.4	-67.7	73.9	0	0	119.4
589	D	36.8	Very low	33.5	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	75%	0.75	S	S	*	*			cis	-147.3	-154.8	23.7	-162	31.1	0	0	0	109.9
590	G	35	Very low	33.6	Very low	58 Å²	58	137 Å²	137	60%	0.598	75%	0.745	S	S	*	*			cis	-179.9	-157	9.3	0	0	0	0	0	117.5
591	L	35.5	Very low	33.7	Very low	146 Å²	146	140.2 Å²	140.2	76%	0.764	75%	0.752	S	S	*	*			trans	-81.6	138.2	-156.1	-83.1	79.9	0	0	0	119.4
592	I	30	Very low	33.7	Very low	154 Å²	154	138.5 Å²	138.5	79%	0.79	76%	0.757	S	S	*	*				30.4	119.1	126.5	-46.7	174.7	0	0	0	119.1
593	S	33	Very low	33.6	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	76%	0.762	S	S	*	*				177.9	153.5	112	-164.9	0	0	0	0	114.5
594	S	31.1	Very low	33.6	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	77%	0.769	S	S	*	*			trans	-73.9	144.3	178.6	-51.4	0	0	0	0	113.9
595	Q	34.8	Very low	33.7	Very low	161 Å²	161	138.3 Å²	138.3	75%	0.752	77%	0.773	S	S	*	*			trans	-153.6	134.6	145.5	-134.6	173.9	64.2	0	0	114.1
596	V	27.9	Very low	33.9	Very low	133 Å²	133	132.4 Å²	132.4	81%	0.806	76%	0.762	S	S	*	*			trans	-77.8	142.3	168.6	174.1	0	0	0	0	109.3
597	K	34.6	Very low	33.7	Very low	181 Å²	181	130 Å²	130	79%	0.787	76%	0.757	S	S	*	*			trans	-150.1	131.5	164.8	-111.6	149.1	-173.5	156	0	112.9
598	S	28.7	Very low	33.6	Very low	103 Å²	103	132.9 Å²	132.9	72%	0.72	76%	0.764	S	S	*	*			trans	-128.9	131.5	177.1	54.6	0	0	0	0	109.9
599	C	30.7	Very low	33.5	Very low	121 Å²	121	129.3 Å²	129.3	82%	0.818	76%	0.759	S	S	*	*			trans	-158.7	134.3	158.1	-85.5	0	0	0	0	106.1
600	T	33.2	Very low	33.5	Very low	106 Å²	106	130.9 Å²	130.9	65%	0.65	76%	0.759	S	S	*	*			cis	88.2	133.9	32.8	69.8	0	0	0	0	116.3
601	H	33.1	Very low	33.3	Very low	187 Å²	187	132.9 Å²	132.9	87%	0.866	76%	0.763	S	S	*	*			trans	93.4	138.4	168.2	-56.4	-74	0	0	0	120.4
602	G	33.7	Very low	32.9	Very low	78 Å²	78	132 Å²	132	80%	0.804	76%	0.764	S	S	*	*			trans	149.5	102.9	177.5	0	0	0	0	0	111.8
603	S	32.3	Very low	33	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	77%	0.766	S	S	*	*			trans	-124.4	144.7	-165.3	-50.4	0	0	0	0	114.4
604	S	35.7	Very low	32.7	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	77%	0.765	S	S	*	*			trans	177.3	131	148.7	-81.3	0	0	0	0	110
605	Q	36.6	Very low	33	Very low	181 Å²	181	138 Å²	138	85%	0.846	77%	0.77	S	S	*	*				73.4	136.6	67.7	-85.3	-154.7	22.3	0	0	114.1
606	V	36.4	Very low	32.6	Very low	100 Å²	100	141.4 Å²	141.4	61%	0.606	78%	0.776	S	S	*	*			cis	-164.9	160.3	6.4	76.2	0	0	0	0	114.4
607	N	34.2	Very low	32.9	Very low	125 Å²	125	139.8 Å²	139.8	67%	0.668	77%	0.77	S	S	*	*			trans	69.6	157.2	156.4	-72.4	-29.7	0	0	0	120.7
608	K	36.2	Very low	32.5	Very low	173 Å²	173	137.8 Å²	137.8	75%	0.752	77%	0.768	S	S	*	*			cis	-160.3	142.9	0.9	-124.3	165.1	-172.9	177.7	0	113.1
609	S	35.1	Very low	32.7	Very low	102 Å²	102	140.2 Å²	140.2	71%	0.713	77%	0.773	S	S	*	*			trans	45.4	154.7	136	-59.7	0	0	0	0	123.5
610	K	35	Very low	32.5	Very low	183 Å²	183	140.7 Å²	140.7	80%	0.796	77%	0.773	S	S	*	*			cis	-167.3	163	0.5	-125.1	-176.6	178.2	-171.4	0	112.7
611	S	31.3	Very low	32.4	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	78%	0.782	S	S	*	*			trans	50.2	130.7	155.4	48.6	0	0	0	0	120.9
612	V	28	Very low	32.2	Very low	129 Å²	129	138.2 Å²	138.2	78%	0.782	78%	0.781	S	S	*	*			cis	80.9	113.7	39.5	178	0	0	0	0	114.2
613	D	32.1	Very low	31.9	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	78%	0.777	S	S	*	*				-170.3	172.8	115.6	-118.9	-50.4	0	0	0	114.3
614	M	26.6	Very low	31.6	Very low	159 Å²	159	139.8 Å²	139.8	78%	0.783	78%	0.777	S	S	*	*			trans	-106.4	161.1	-176	-72.3	178.5	54.9	0	0	114.6
615	H	36.8	Very low	31.3	Very low	190 Å²	190	139.1 Å²	139.1	88%	0.88	78%	0.779	S	S	*	*				-175	163.2	122.8	-109.8	-90.3	0	0	0	113.9
616	R	25.7	Very low	30.7	Very low	233 Å²	233	139.3 Å²	139.3	88%	0.879	78%	0.78	S	S	*	*			trans	-78.5	168.6	170.9	-62.5	173.3	162.5	136	-9.6	110.2
617	S	34.1	Very low	30.4	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	79%	0.791	S	S	*	*			cis	-166.7	152.7	31.3	47.9	0	0	0	0	113.7
618	D	27.9	Very low	30	Very low	140 Å²	140	146.4 Å²	146.4	75%	0.749	80%	0.803	S	S	*	*			trans	33.4	115.4	145.4	-44.8	-31.5	0	0	0	121.3
619	N	32.5	Very low	29.7	Very low	153 Å²	153	145 Å²	145	82%	0.818	80%	0.804	S	S	*	*				-172	149.8	100.9	-99.1	-60.6	0	0	0	115.8
620	T	26.6	Very low	29.4	Very low	132 Å²	132	147.6 Å²	147.6	81%	0.81	81%	0.809	S	S	*	*			trans	-29.2	123	176.7	54.5	0	0	0	0	120.5
621	A	31.5	Very low	29.1	Very low	103 Å²	103	147 Å²	147	85%	0.851	81%	0.814	S	S	*	*			trans	-164.2	134.9	138.9	0	0	0	0	0	112.2
622	T	27.7	Very low	28.9	Very low	138 Å²	138	150.1 Å²	150.1	85%	0.847	82%	0.823	S	S	*	*			trans	-115.1	169	174.7	42	0	0	0	0	110.8
623	P	28.8	Very low	29	Very low	109 Å²	109	153.5 Å²	153.5	71%	0.708	83%	0.827	S	S	*	*			cis	-130.8	-173.7	-15.9	32.6	-13.2	0	0	0	113.9
624	S	24.8	Very low	28.7	Very low	115 Å²	115	155.3 Å²	155.3	80%	0.804	83%	0.83	S	S	*	*			trans	94.5	103.3	157.7	-37.2	0	0	0	0	117.9
625	A	28.6	Very low	28.7	Very low	102 Å²	102	156.1 Å²	156.1	84%	0.843	84%	0.837	S	S	*	*			trans	165.7	72.6	136.9	0	0	0	0	0	112.8
626	E	26	Very low	28.2	Very low	185 Å²	185	152 Å²	152	86%	0.864	82%	0.822	S	S	*	*			trans	-130.1	170	166.4	-70.7	-164.1	138.4	0	0	111.3
627	I	28.5	Very low	28.4	Very low	164 Å²	164	147.3 Å²	147.3	84%	0.841	82%	0.821	S	S	*	*			trans	63.2	59.2	-171.7	-40.6	176.1	0	0	0	112.5
628	K	27.1	Very low	28.3	Very low	210 Å²	210	151.2 Å²	151.2	91%	0.913	83%	0.826	S	S	*	*			trans	-114.5	28.6	166.5	-138	-176.5	-167.1	-177.6	0	113.9
629	D	28.5	Very low	28.5	Very low	144 Å²	144	148.7 Å²	148.7	77%	0.77	82%	0.819	S	S	*	*			trans	-136.9	121.4	171	-102.8	-46.7	0	0	0	110.8
630	N	30	Very low	28.3	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	82%	0.817	S	S	*	*			trans	159.7	-16.3	158.4	-94	-54.5	0	0	0	113.5	N632	N630-N632 VanDerWaalsContact C-N 3.27Å; N630-N632 PolarHBondContact O-N 3.42Å
631	L	27.4	Very low	28.7	Very low	171 Å²	171	152 Å²	152	90%	0.895	82%	0.815	S	S	*	*			trans	-74.8	5.7	-166.8	-80.3	166.6	0	0	0	117.3
632	N	27.4	Very low	28.9	Very low	164 Å²	164	151 Å²	151	88%	0.877	80%	0.801	S	S	*	*	S	Bend	trans	-111.8	31.6	-170.4	-84.9	-18.1	0	0	0	115.4	N630	N630-N632 VanDerWaalsContact C-N 3.27Å; N630-N632 PolarHBondContact O-N 3.42Å
633	K	31	Very low	28.9	Very low	199 Å²	199	150.4 Å²	150.4	87%	0.865	79%	0.793	S	S	*	*	S	Bend	trans	-129.7	-8.7	178.8	-81.1	-176.2	177.3	172.4	0	118.3
634	E	26.2	Very low	29.1	Very low	196 Å²	196	151.7 Å²	151.7	92%	0.916	79%	0.794	S	S	*	*	S	Bend	trans	-100	9.7	-175	-67.1	-144.2	119	0	0	116.2
635	L	26.5	Very low	29.6	Very low	175 Å²	175	153 Å²	153	92%	0.916	79%	0.788	S	S	*	*			trans	-106.6	68.2	-178.2	-76.3	163.4	0	0	0	112.8
636	N	26.7	Very low	29.8	Very low	105 Å²	105	158.4 Å²	158.4	56%	0.561	79%	0.787	S	S	*	*			trans	-144.5	110.2	170.7	-168.8	-15.5	0	0	0	111.8	K638	N636-K638 PolarHBondContact O-N 2.94Å
637	P	28.3	Very low	30.1	Very low	133 Å²	133	156.9 Å²	156.9	86%	0.864	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	48.3	-169.4	34.5	-38.1	0	0	0	113.9
638	K	32.7	Very low	30.4	Very low	182 Å²	182	156.7 Å²	156.7	79%	0.791	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	-7.9	-179	-70.3	-173.9	177.3	-179.6	0	115.2	N636	N636-K638 PolarHBondContact O-N 2.94Å
639	S	32.1	Very low	30.7	Very low	87 Å²	87	151.1 Å²	151.1	61%	0.608	76%	0.764	S	S	*	*			trans	-85.3	-13	-175.8	52.8	0	0	0	0	115.2	K641 S642	S639-K641 PolarHBondContact O-N 3.11Å; S639-S642 PolarHBondContact O-OG 2.96Å
640	F	28.8	Very low	30.9	Very low	177 Å²	177	152.1 Å²	152.1	78%	0.776	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-7	-165.3	-145.4	-99.2	0	0	0	115.8
641	K	34.2	Very low	30.9	Very low	178 Å²	178	152.5 Å²	152.5	77%	0.774	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-16.7	-174.3	-149.2	176.9	-175.9	-175.1	0	114.9	S639	S639-K641 PolarHBondContact O-N 3.11Å
642	S	34.7	Very low	31.1	Very low	80 Å²	80	152.6 Å²	152.6	56%	0.559	77%	0.766	S	S	*	*	S	Bend	trans	-78.9	-37.1	-176.4	52.6	0	0	0	0	114.1	S639 L644	S639-S642 PolarHBondContact O-OG 2.96Å; S642-L644 PolarHBondContact O-N 3.15Å
643	N	29.7	Very low	31.2	Very low	126 Å²	126	152.4 Å²	152.4	67%	0.674	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-13.9	-170.6	-68.5	-8.4	0	0	0	113.9
644	L	32	Very low	31.3	Very low	137 Å²	137	148.1 Å²	148.1	72%	0.717	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-22.5	-179.9	-169.1	58.4	0	0	0	113.4	S642	S642-L644 PolarHBondContact O-N 3.15Å
645	M	34.7	Very low	31.5	Very low	141 Å²	141	150.5 Å²	150.5	70%	0.695	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-80.3	-16.4	175.9	-77.8	-168.9	164.5	0	0	113.9	L647	M645-L647 VanDerWaalsContact C-N 3.26Å; M645-L647 PolarHBondContact O-N 2.99Å
646	R	33.7	Very low	31.6	Very low	217 Å²	217	145.7 Å²	145.7	82%	0.819	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-84.1	8	-174	-145.5	173.8	-175.4	123.6	0.8	114.9
647	L	32.6	Very low	31.8	Very low	152 Å²	152	146.2 Å²	146.2	80%	0.796	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-120	-1.3	178.2	-85.9	161.1	0	0	0	113.9	M645	M645-L647 VanDerWaalsContact C-N 3.26Å; M645-L647 PolarHBondContact O-N 2.99Å
648	K	34.6	Very low	31.7	Very low	161 Å²	161	150.6 Å²	150.6	70%	0.7	76%	0.764	S	S	*	*	S	Bend	trans	-90.7	2.9	174.9	-75.2	-170.1	173.9	-176.4	0	114
649	S	33.8	Very low	31.6	Very low	92 Å²	92	150.3 Å²	150.3	64%	0.643	77%	0.767	S	S	*	*	S	Bend	trans	-104.4	13.1	-173.6	57	0	0	0	0	115
650	M	32.7	Very low	31.5	Very low	165 Å²	165	149.9 Å²	149.9	81%	0.813	77%	0.769	S	S	*	*	S	Bend	trans	-138.6	63.1	-178.8	-69.5	-179.1	67.4	0	0	112
651	N	30.2	Very low	31.7	Very low	165 Å²	165	148.7 Å²	148.7	88%	0.882	77%	0.771	S	S	*	*			trans	-176.1	95	152.1	-97.6	-22.8	0	0	0	109.8
652	M	29.7	Very low	31.5	Very low	172 Å²	172	145.8 Å²	145.8	85%	0.847	77%	0.773	S	S	*	*			trans	-149.7	137.7	173.6	-94.8	-68.5	172.7	0	0	108.4
653	I	30.1	Very low	31.4	Very low	160 Å²	160	147.7 Å²	147.7	82%	0.821	78%	0.784	S	S	*	*			trans	70.5	140.1	171.1	-55.4	152.2	0	0	0	112.2
654	S	32.6	Very low	31.3	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	79%	0.791	S	S	*	*			cis	-138.7	171.1	12.3	-152.9	0	0	0	0	114.4
655	R	32.2	Very low	31.2	Very low	245 Å²	245	145.5 Å²	145.5	93%	0.925	79%	0.788	S	S	*	*			trans	-102.7	129.7	166.2	-78.7	175.7	165.2	166.4	-6.1	110.9
656	G	27.1	Very low	30.9	Very low	74 Å²	74	145.3 Å²	145.3	76%	0.763	79%	0.794	S	S	*	*			trans	97.7	153.8	141.3	0	0	0	0	0	120.6
657	S	30.7	Very low	30.6	Very low	117 Å²	117	143.1 Å²	143.1	82%	0.818	80%	0.798	S	S	*	*			trans	85.3	77.9	151.9	-58.3	0	0	0	0	122.1
658	R	27.2	Very low	30.5	Very low	225 Å²	225	141.4 Å²	141.4	85%	0.849	80%	0.799	S	S	*	*				54.1	140.5	120.6	-63.3	-177.3	-179	-173.3	1.3	122.5
659	M	29.5	Very low	30.2	Very low	175 Å²	175	143.2 Å²	143.2	86%	0.862	81%	0.81	S	S	*	*			trans	77.4	142.3	157.2	-50.3	-132.3	-153	0	0	117
660	A	32	Very low	30.1	Very low	79 Å²	79	142.4 Å²	142.4	65%	0.653	80%	0.804	S	S	*	*			cis	-162.1	164.5	-16.9	0	0	0	0	0	112.2
661	N	31.8	Very low	30.1	Very low	151 Å²	151	141 Å²	141	81%	0.807	81%	0.811	S	S	*	*			trans	65.6	113.1	155.6	-65.4	-2.7	0	0	0	122.9
662	S	31.3	Very low	30.3	Very low	118 Å²	118	141 Å²	141	83%	0.825	80%	0.803	S	S	*	*			trans	82.4	151.3	135.6	-66.2	0	0	0	0	121.3
663	P	31.3	Very low	30.7	Very low	120 Å²	120	140.5 Å²	140.5	78%	0.779	80%	0.798	S	S	*	*			trans	-128.5	161.7	-151.8	40.2	-23.8	0	0	0	115.9
664	C	27.4	Very low	30.7	Very low	121 Å²	121	138.4 Å²	138.4	82%	0.818	79%	0.789	S	S	*	*			trans	-151.4	118.9	150.9	-141.2	0	0	0	0	113.6
665	S	29.9	Very low	30.8	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	79%	0.789	S	S	*	*			trans	32.3	122.7	147	62.3	0	0	0	0	122.6
666	V	28.3	Very low	30.8	Very low	137 Å²	137	134.9 Å²	134.9	83%	0.83	78%	0.781	S	S	*	*			trans	64.4	102.2	142.6	-172.1	0	0	0	0	118.4
667	L	28.8	Very low	31.1	Very low	171 Å²	171	134.7 Å²	134.7	90%	0.895	77%	0.772	S	S	*	*				-164.5	127.2	116.8	-101.1	172.9	0	0	0	108
668	S	30	Very low	31.1	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	75%	0.749	S	S	*	*			trans	-120.1	87.2	-171.3	63.2	0	0	0	0	112.9
669	E	27.3	Very low	31.4	Very low	200 Å²	200	130.9 Å²	130.9	94%	0.935	75%	0.749	S	S	*	*			trans	-77.9	122.4	161.7	-65.1	-170.4	129.8	0	0	109.4
670	S	32.4	Very low	31.5	Very low	74 Å²	74	128.7 Å²	128.7	52%	0.517	74%	0.743	S	S	.	*			trans	-146	97.1	167.1	83	0	0	0	0	111.5	K672	S670-K672 VanDerWaalsContact C-N 3.3Å; S670-K672 PolarHBondContact O-N 2.94Å
671	S	32.2	Very low	31.5	Very low	136 Å²	136	131.3 Å²	131.3	95%	0.951	75%	0.748	S	S	*	*			trans	-69.4	82.9	172	29.4	0	0	0	0	110.5
672	K	34.2	Very low	31.5	Very low	165 Å²	165	130.2 Å²	130.2	72%	0.717	75%	0.745	S	S	*	*			trans	-97.7	146.7	175.4	-71.7	172.9	-179.6	162.4	0	110.3	S670 N674	S670-K672 VanDerWaalsContact C-N 3.3Å; S670-K672 PolarHBondContact O-N 2.94Å; K672-N674 PolarHBondContact O-N 2.89Å
673	Q	37.8	Very low	31.5	Very low	162 Å²	162	130.9 Å²	130.9	76%	0.757	74%	0.74	S	S	*	*			trans	-62.1	128.8	-178.5	-65.4	165.4	-50.5	0	0	110.8	S675	Q673-S675 PolarHBondContact O-N 2.85Å
674	N	31.6	Very low	31.5	Very low	115 Å²	115	131.6 Å²	131.6	62%	0.615	74%	0.738	S	S	*	*			trans	-69.8	91.9	-176.4	-82.5	-11.7	0	0	0	112.3	K672 F676	K672-N674 PolarHBondContact O-N 2.89Å; N674-F676 HydrophobicContact CB-CD2 4.45Å; N674-F676 WeakPolarHBondContact OD1-CE2 3.44Å
675	S	34.5	Very low	31.8	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	73%	0.732	S	S	*	*			trans	-114.2	67.9	155.9	69.1	0	0	0	0	109.3	Q673 A677	Q673-S675 PolarHBondContact O-N 2.85Å; S675-A677 PolarHBondContact O-N 3.43Å; S675-A677 VanDerWaalsContact O-N 3.13Å
676	F	32.1	Very low	32	Very low	170 Å²	170	134.9 Å²	134.9	75%	0.746	74%	0.737	S	S	*	*			trans	-67.9	110.3	177.1	-91.8	-85.9	0	0	0	110.2	N674 I678	N674-F676 HydrophobicContact CB-CD2 4.45Å; N674-F676 WeakPolarHBondContact OD1-CE2 3.44Å; F676-I678 PolarHBondContact O-N 3.1Å
677	A	32.1	Very low	32.2	Very low	70 Å²	70	134.8 Å²	134.8	58%	0.579	73%	0.73	S	S	*	*			trans	-74.1	107.9	164.4	0	0	0	0	0	108.1	S675 K679	S675-A677 PolarHBondContact O-N 3.43Å; S675-A677 VanDerWaalsContact O-N 3.13Å; A677-K679 PolarHBondContact O-N 3.32Å; A677-K679 VanDerWaalsContact O-N 3.09Å
678	I	32	Very low	32.5	Very low	66 Å²	66	131.8 Å²	131.8	34%	0.338	72%	0.716	S	S	.	*			trans	-63.7	110.8	168.4	-59.7	174.7	0	0	0	107.4	W67 F676	W67-I678 HydrophobicContact CZ3-CG2 4.41Å; F676-I678 PolarHBondContact O-N 3.1Å
679	K	34.1	Very low	32.8	Very low	195 Å²	195	133.2 Å²	133.2	85%	0.848	71%	0.708	S	S	*	*			trans	-95.8	0	154.4	-83.1	-169.1	171.3	-171.9	0	108.8	S12 G13 A677	S12-K679 WeakPolarHBondContact CA-OXT 3.27Å; G13-K679 PolarHBondContact N-OXT 3.03Å; A677-K679 PolarHBondContact O-N 3.32Å; A677-K679 VanDerWaalsContact O-N 3.09Å

Retrieved 679 of 679 residues in 458.6 ms (Link to these results)

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