A0A077Z9N3_TRITR Loading...

F box:WD repeat containing protein 1A

AlphaFold DB , UniProt , Accession A0A077Z9N3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 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	54.3	Low	85.8	Confident	214 Å²	214	90.1 Å²	90.1	100%	1.054	48%	0.479	S	S	*	.				0	-42.3	0	-71.7	-172.2	-141.7	0	0	113.4	S3 I4 A5	M1-S3 PolarHBondContact O-N 3.13Å; M1-I4 PolarHBondContact O-N 2.79Å; M1-A5 PolarHBondContact O-N 3.3Å
2	S	73	Confident	86.5	Confident	76 Å²	76	86.5 Å²	86.5	53%	0.531	46%	0.46	S	S	.	.	H	α-helix	trans	-54.7	-44.4	-175.4	52.6	0	0	0	0	115	I4 A5 F6	S2-I4 PolarHBondContact O-N 3.21Å; S2-A5 PolarHBondContact O-N 3.25Å; S2-F6 WeakPolarHBondContact O-CD1 3.23Å; S2-F6 VanDerWaalsContact O-CD2 3.28Å; S2-F6 WeakPolarHBondContact O-CD2 3.29Å; S2-F6 WeakPolarHBondContact O-CG 3.47Å; S2-F6 PolarHBondContact O-N 2.9Å
3	S	81.5	Confident	87	Confident	76 Å²	76	86.5 Å²	86.5	53%	0.531	46%	0.46	S	S	.	.	H	α-helix	trans	-59.9	-41.5	-177.8	-173.9	0	0	0	0	113.7	M1 F6 N7	M1-S3 PolarHBondContact O-N 3.13Å; S3-F6 PolarHBondContact O-N 3.25Å; S3-N7 PolarHBondContact O-N 3.45Å; S3-N7 VanDerWaalsContact O-N 3.12Å
4	I	90.7	Very high	87.4	Confident	119 Å²	119	81.6 Å²	81.6	61%	0.61	44%	0.438	S	S	*	.	H	α-helix	trans	-66.5	-44.4	179.3	-61.5	172.4	0	0	0	110.2	M1 S2 F6 N7 I8	M1-I4 PolarHBondContact O-N 2.79Å; S2-I4 PolarHBondContact O-N 3.21Å; I4-F6 VanDerWaalsContact C-N 3.32Å; I4-F6 PolarHBondContact O-N 3.33Å; I4-N7 PolarHBondContact O-N 3.41Å; I4-I8 HydrophobicContact CG2-CD1 3.93Å; I4-I8 HydrophobicContact CG2-CG1 4.5Å; I4-I8 WeakPolarHBondContact O-CG1 3.42Å; I4-I8 PolarHBondContact O-N 3.07Å
5	A	90.4	Very high	87.8	Confident	32 Å²	32	85.2 Å²	85.2	26%	0.264	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-41.9	177.8	0	0	0	0	0	111.9	M1 S2 N7 I8 L9 V30	M1-A5 PolarHBondContact O-N 3.3Å; S2-A5 PolarHBondContact O-N 3.25Å; A5-N7 VanDerWaalsContact C-N 3.35Å; A5-N7 PolarHBondContact O-N 2.97Å; A5-I8 PolarHBondContact O-N 3.33Å; A5-L9 WeakPolarHBondContact O-CG 3.5Å; A5-L9 PolarHBondContact O-N 3.23Å; A5-V30 HydrophobicContact CB-CG1 3.95Å
6	F	90.2	Very high	88.2	Confident	36 Å²	36	82.6 Å²	82.6	16%	0.158	44%	0.439	C	S	.	.	H	α-helix	trans	-62.1	-41.9	176.2	-58	-28.2	0	0	0	112.4	S2 S3 I4 S10 V30 D33	S2-F6 WeakPolarHBondContact O-CD1 3.23Å; S2-F6 VanDerWaalsContact O-CD2 3.28Å; S2-F6 WeakPolarHBondContact O-CD2 3.29Å; S2-F6 WeakPolarHBondContact O-CG 3.47Å; S2-F6 PolarHBondContact O-N 2.9Å; S3-F6 PolarHBondContact O-N 3.25Å; I4-F6 VanDerWaalsContact C-N 3.32Å; I4-F6 PolarHBondContact O-N 3.33Å; F6-S10 WeakPolarHBondContact O-CB 3.44Å; F6-S10 PolarHBondContact O-N 2.85Å; F6-V30 HydrophobicContact CD1-CG1 3.72Å; F6-V30 HydrophobicContact CE1-CB 4.45Å; F6-V30 HydrophobicContact CE1-CG1 3.73Å; F6-V30 VanDerWaalsContact CE1-O 3.24Å; F6-V30 WeakPolarHBondContact CE1-O 3.28Å; F6-D33 HydrophobicContact CE1-CB 4.36Å; F6-D33 HydrophobicContact CZ-CB 4.12Å
7	N	90.5	Very high	88.6	Confident	89 Å²	89	77.9 Å²	77.9	48%	0.476	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-42.7	179.1	-71	-14.6	0	0	0	111.3	S3 I4 A5 S10 Y11	S3-N7 PolarHBondContact O-N 3.45Å; S3-N7 VanDerWaalsContact O-N 3.12Å; I4-N7 PolarHBondContact O-N 3.41Å; A5-N7 VanDerWaalsContact C-N 3.35Å; A5-N7 PolarHBondContact O-N 2.97Å; N7-S10 PolarHBondContact O-N 2.81Å; N7-S10 PolarHBondContact O-OG 2.69Å; N7-Y11 WeakPolarHBondContact O-CD2 3.42Å; N7-Y11 WeakPolarHBondContact O-CE2 3.49Å
8	I	93.7	Very high	88.8	Confident	108 Å²	108	75.6 Å²	75.6	55%	0.554	41%	0.405	S	S	*	.	H	α-helix	trans	-59.5	-52.5	176.3	-67.1	167.1	0	0	0	110.6	I4 A5 S10 Y11	I4-I8 HydrophobicContact CG2-CD1 3.93Å; I4-I8 HydrophobicContact CG2-CG1 4.5Å; I4-I8 WeakPolarHBondContact O-CG1 3.42Å; I4-I8 PolarHBondContact O-N 3.07Å; A5-I8 PolarHBondContact O-N 3.33Å; I8-S10 PolarHBondContact O-N 2.84Å; I8-Y11 PolarHBondContact O-N 3.36Å
9	L	93.8	Very high	89.2	Confident	16 Å²	16	79.6 Å²	79.6	8%	0.084	41%	0.414	C	S	.	.	H	α-helix	trans	-70.6	-20.5	-176.3	-62.9	176.4	0	0	0	113	A5 Y11 L12 W27 V30 V31 L36	A5-L9 WeakPolarHBondContact O-CG 3.5Å; A5-L9 PolarHBondContact O-N 3.23Å; L9-Y11 PolarHBondContact O-N 2.58Å; L9-L12 HydrophobicContact CB-CD1 4.31Å; L9-L12 HydrophobicContact CD2-CD1 3.65Å; L9-L12 WeakPolarHBondContact O-CB 3.36Å; L9-L12 WeakPolarHBondContact O-CG 3.48Å; L9-L12 PolarHBondContact O-N 3.2Å; L9-W27 HydrophobicContact CD2-CE3 4.35Å; L9-W27 HydrophobicContact CD2-CZ3 4.02Å; L9-V30 HydrophobicContact CD1-CG1 3.69Å; L9-V31 HydrophobicContact CD1-CG2 4.18Å; L9-L36 HydrophobicContact CB-CD1 3.32Å; L9-L36 HydrophobicContact CD1-CD1 3.85Å; L9-L36 HydrophobicContact CG-CD1 4.25Å
10	S	92.3	Very high	89.3	Confident	41 Å²	41	76.3 Å²	76.3	29%	0.287	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.4	177.3	76.4	0	0	0	0	114.1	F6 N7 I8 R43	F6-S10 WeakPolarHBondContact O-CB 3.44Å; F6-S10 PolarHBondContact O-N 2.85Å; N7-S10 PolarHBondContact O-N 2.81Å; N7-S10 PolarHBondContact O-OG 2.69Å; I8-S10 PolarHBondContact O-N 2.84Å; S10-R43 PolarHBondContact O-NH1 3.36Å; S10-R43 VanDerWaalsContact O-NH1 3.12Å
11	Y	93.7	Very high	89.5	Confident	184 Å²	184	73 Å²	73	72%	0.722	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-24.2	176.6	-71.9	-76.8	0	0	0	113.2	N7 I8 L9 R43	N7-Y11 WeakPolarHBondContact O-CD2 3.42Å; N7-Y11 WeakPolarHBondContact O-CE2 3.49Å; I8-Y11 PolarHBondContact O-N 3.36Å; L9-Y11 PolarHBondContact O-N 2.58Å; Y11-R43 PolarHBondContact O-NH1 2.97Å
12	L	94.3	Very high	91.4	Very high	47 Å²	47	69.5 Å²	69.5	25%	0.246	36%	0.361	C	S	.	.			trans	-62.9	148.3	-171.9	-60.2	178.3	0	0	0	113	L9 L17 C20 R43	L9-L12 HydrophobicContact CB-CD1 4.31Å; L9-L12 HydrophobicContact CD2-CD1 3.65Å; L9-L12 WeakPolarHBondContact O-CB 3.36Å; L9-L12 WeakPolarHBondContact O-CG 3.48Å; L9-L12 PolarHBondContact O-N 3.2Å; L12-L17 HydrophobicContact CB-CB 4.35Å; L12-L17 HydrophobicContact CD1-CD1 4.46Å; L12-C20 HydrophobicContact CD1-CB 4.36Å; L12-C20 WeakPolarHBondContact CD1-SG 3.43Å; L12-R43 PolarHBondContact O-NH2 3.39Å
13	D	92.6	Very high	92.4	Very high	86 Å²	86	70 Å²	70	46%	0.46	36%	0.361	S	S	.	.			trans	-76.1	169.6	166.7	71.4	8.1	0	0	0	111.1	K15 S16 L17	D13-K15 VanDerWaalsContact C-N 3.28Å; D13-K15 PolarHBondContact O-N 3.26Å; D13-K15 PolarHBondContact OD1-N 2.96Å; D13-S16 PolarHBondContact O-N 2.91Å; D13-S16 WeakPolarHBondContact OD1-CA 3.39Å; D13-S16 WeakPolarHBondContact OD1-CB 3.48Å; D13-S16 PolarHBondContact OD1-N 3.48Å; D13-S16 PolarHBondContact OD1-OG 3.45Å; D13-L17 VanDerWaalsContact O-CB 3.27Å; D13-L17 WeakPolarHBondContact O-CB 3.47Å; D13-L17 PolarHBondContact O-N 2.71Å
14	A	92.5	Very high	93.1	Very high	18 Å²	18	69.1 Å²	69.1	15%	0.149	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-38	-176.8	0	0	0	0	0	113.3	S18 W37 L40 Y84	A14-S18 WeakPolarHBondContact O-CB 2.94Å; A14-S18 PolarHBondContact O-N 2.69Å; A14-W37 HydrophobicContact CB-CH2 4.3Å; A14-W37 HydrophobicContact CB-CZ3 4.06Å; A14-L40 HydrophobicContact CB-CD2 3.9Å; A14-Y84 HydrophobicContact CB-CD1 4.17Å; A14-Y84 HydrophobicContact CB-CE1 3.32Å; A14-Y84 HydrophobicContact CB-CE2 4.35Å; A14-Y84 VanDerWaalsContact CB-CZ 3.45Å; A14-Y84 WeakPolarHBondContact CB-OH 3.41Å
15	K	93	Very high	93.2	Very high	136 Å²	136	70.3 Å²	70.3	59%	0.591	36%	0.357	S	S	*	.	H	α-helix	trans	-67.4	-44.7	-179.2	-174.3	177.5	-178	177.6	0	110.7	D13 R19	D13-K15 VanDerWaalsContact C-N 3.28Å; D13-K15 PolarHBondContact O-N 3.26Å; D13-K15 PolarHBondContact OD1-N 2.96Å; K15-R19 WeakPolarHBondContact O-CG 3.32Å; K15-R19 PolarHBondContact O-N 3.42Å; K15-R19 VanDerWaalsContact O-N 3.08Å
16	S	95.4	Very high	93.3	Very high	43 Å²	43	73 Å²	73	30%	0.301	36%	0.364	S	S	.	.	H	α-helix	trans	-71.2	-38.5	178.9	-53.3	0	0	0	0	111.2	D13 R19 C20	D13-S16 PolarHBondContact O-N 2.91Å; D13-S16 WeakPolarHBondContact OD1-CA 3.39Å; D13-S16 WeakPolarHBondContact OD1-CB 3.48Å; D13-S16 PolarHBondContact OD1-N 3.48Å; D13-S16 PolarHBondContact OD1-OG 3.45Å; S16-R19 WeakPolarHBondContact O-CB 3.49Å; S16-R19 PolarHBondContact O-N 2.97Å; S16-C20 PolarHBondContact O-N 3.2Å; S16-C20 PolarHBondContact O-SG 3.24Å
17	L	94.1	Very high	93.5	Very high	4 Å²	4	76.7 Å²	76.7	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-62.6	-45.1	174.4	-173.3	64.1	0	0	0	111.3	L12 D13 R19 C20 E21 V31 L36 W37 L40	L12-L17 HydrophobicContact CB-CB 4.35Å; L12-L17 HydrophobicContact CD1-CD1 4.46Å; D13-L17 VanDerWaalsContact O-CB 3.27Å; D13-L17 WeakPolarHBondContact O-CB 3.47Å; D13-L17 PolarHBondContact O-N 2.71Å; L17-R19 VanDerWaalsContact C-N 3.27Å; L17-R19 PolarHBondContact O-N 3.4Å; L17-C20 WeakPolarHBondContact O-CB 3.41Å; L17-C20 PolarHBondContact O-N 3.34Å; L17-C20 VanDerWaalsContact O-N 3.13Å; L17-E21 PolarHBondContact O-N 3.2Å; L17-V31 HydrophobicContact CD1-CG1 4.16Å; L17-V31 HydrophobicContact CD1-CG2 4.09Å; L17-L36 HydrophobicContact CD1-CB 3.98Å; L17-L36 HydrophobicContact CD1-CD1 3.81Å; L17-L36 HydrophobicContact CD2-CB 4.11Å; L17-W37 HydrophobicContact CD2-CD2 3.89Å; L17-W37 HydrophobicContact CD2-CE3 4.17Å; L17-W37 HydrophobicContact CD2-CG 4.3Å; L17-W37 HydrophobicContact CD2-CZ2 4.27Å; L17-W37 HydrophobicContact CD2-CZ3 4.47Å; L17-W37 HydrophobicContact CG-CZ2 4.34Å; L17-L40 HydrophobicContact CD2-CD2 4.04Å
18	S	93.2	Very high	93.6	Very high	35 Å²	35	78.9 Å²	78.9	25%	0.245	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-34	173.8	179.2	0	0	0	0	112.8	A14	A14-S18 WeakPolarHBondContact O-CB 2.94Å; A14-S18 PolarHBondContact O-N 2.69Å
19	R	95	Very high	93.4	Very high	152 Å²	152	78.9 Å²	78.9	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-71.9	-35.6	174.4	-74.1	173.4	173.1	-168.3	-6.4	111.9	K15 S16 L17 E21 Q22	K15-R19 WeakPolarHBondContact O-CG 3.32Å; K15-R19 PolarHBondContact O-N 3.42Å; K15-R19 VanDerWaalsContact O-N 3.08Å; S16-R19 WeakPolarHBondContact O-CB 3.49Å; S16-R19 PolarHBondContact O-N 2.97Å; L17-R19 VanDerWaalsContact C-N 3.27Å; L17-R19 PolarHBondContact O-N 3.4Å; R19-E21 VanDerWaalsContact C-N 3.29Å; R19-E21 PolarHBondContact O-N 2.99Å; R19-Q22 WeakPolarHBondContact O-CB 3.48Å; R19-Q22 PolarHBondContact O-N 3.17Å
20	C	92.5	Very high	93.3	Very high	14 Å²	14	79.1 Å²	79.1	10%	0.095	37%	0.374	C	S	.	.	H	α-helix	trans	-60.4	-37.8	176.4	-72.1	0	0	0	0	112.4	L12 S16 L17 Q22 V23 W27	L12-C20 HydrophobicContact CD1-CB 4.36Å; L12-C20 WeakPolarHBondContact CD1-SG 3.43Å; S16-C20 PolarHBondContact O-N 3.2Å; S16-C20 PolarHBondContact O-SG 3.24Å; L17-C20 WeakPolarHBondContact O-CB 3.41Å; L17-C20 PolarHBondContact O-N 3.34Å; L17-C20 VanDerWaalsContact O-N 3.13Å; C20-Q22 PolarHBondContact O-N 3.36Å; C20-Q22 VanDerWaalsContact O-N 3.13Å; C20-V23 WeakPolarHBondContact O-CB 3.42Å; C20-V23 PolarHBondContact O-N 2.81Å; C20-V23 VanDerWaalsContact O-N 3.17Å; C20-W27 HydrophobicContact CB-CE3 3.81Å; C20-W27 HydrophobicContact CB-CZ3 4.15Å; C20-W27 WeakPolarHBondContact O-CB 3.25Å
21	E	92.4	Very high	93.3	Very high	8 Å²	8	77.1 Å²	77.1	4%	0.037	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.7	174.5	-65.3	-178.8	150.7	0	0	114.1	L17 R19 R28 V31 W37 H77 R81	L17-E21 PolarHBondContact O-N 3.2Å; R19-E21 VanDerWaalsContact C-N 3.29Å; R19-E21 PolarHBondContact O-N 2.99Å; E21-R28 HydrophobicContact CB-CG 4.47Å; E21-R28 PolarHBondContact O-NE 2.93Å; E21-R28 PolarHBondContact O-NH2 3.27Å; E21-V31 HydrophobicContact CG-CB 4.18Å; E21-V31 HydrophobicContact CG-CG1 3.77Å; E21-V31 HydrophobicContact CG-CG2 4.19Å; E21-V31 WeakPolarHBondContact OE1-CG1 3.49Å; E21-W37 PolarHBondContact OE1-NE1 2.84Å; E21-H77 IonicContact OE1-NE2 2.69Å; E21-R81 IonicContact OE1-NE 3.21Å; E21-R81 PolarHBondContact OE1-NE 2.94Å; E21-R81 IonicContact OE2-CZ 2.69Å; E21-R81 IonicContact OE2-NE 3.48Å; E21-R81 PolarHBondContact OE2-NE 3.42Å; E21-R81 IonicContact OE2-NH2 3.77Å; E21-R81 PolarHBondContact OE2-NH2 2.86Å
22	Q	94	Very high	93.1	Very high	140 Å²	140	69.6 Å²	69.6	65%	0.654	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-6	-179.5	-59.1	176.5	14.1	0	0	112.9	R19 C20	R19-Q22 WeakPolarHBondContact O-CB 3.48Å; R19-Q22 PolarHBondContact O-N 3.17Å; C20-Q22 PolarHBondContact O-N 3.36Å; C20-Q22 VanDerWaalsContact O-N 3.13Å
23	V	95.3	Very high	92.9	Very high	87 Å²	87	71.3 Å²	71.3	53%	0.527	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-55.7	-177.5	174.3	0	0	0	0	111.3	C20 W27	C20-V23 WeakPolarHBondContact O-CB 3.42Å; C20-V23 PolarHBondContact O-N 2.81Å; C20-V23 VanDerWaalsContact O-N 3.17Å; V23-W27 HydrophobicContact CB-CB 4.22Å; V23-W27 HydrophobicContact CB-CD2 3.98Å; V23-W27 HydrophobicContact CB-CE3 4.14Å; V23-W27 HydrophobicContact CB-CG 4.03Å; V23-W27 HydrophobicContact CG1-CD2 3.92Å; V23-W27 HydrophobicContact CG1-CE3 4.4Å; V23-W27 HydrophobicContact CG1-CG 4.04Å; V23-W27 HydrophobicContact CG2-CD2 4.31Å; V23-W27 HydrophobicContact CG2-CE3 3.98Å; V23-W27 HydrophobicContact CG2-CZ3 4.35Å
24	C	95.4	Very high	92.7	Very high	57 Å²	57	67.4 Å²	67.4	39%	0.385	33%	0.325	S	S	.	.			trans	-162.9	173	172.9	72.4	0	0	0	0	110.9	E26 W27 R28	C24-E26 VanDerWaalsContact C-N 3.27Å; C24-E26 PolarHBondContact O-N 3.28Å; C24-W27 PolarHBondContact O-N 3.04Å; C24-R28 PolarHBondContact O-N 3.07Å; C24-R28 VanDerWaalsContact O-N 3.1Å
25	H	93.1	Very high	92.6	Very high	143 Å²	143	67.4 Å²	67.4	66%	0.662	32%	0.322	S	S	*	.	H	α-helix	trans	-57.6	-39.3	178.7	-173.5	-84.5	0	0	0	112.5	R28 R29	H25-R28 PolarHBondContact O-N 2.98Å; H25-R29 WeakPolarHBondContact O-CB 3.25Å; H25-R29 PolarHBondContact O-N 2.88Å
26	E	92.3	Very high	92.6	Very high	90 Å²	90	61.1 Å²	61.1	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-66.7	-40.5	-179.7	-176.9	59.4	-169.2	0	0	112.1	C24 R29 V30	C24-E26 VanDerWaalsContact C-N 3.27Å; C24-E26 PolarHBondContact O-N 3.28Å; E26-R29 WeakPolarHBondContact O-CB 3.26Å; E26-R29 PolarHBondContact O-N 3.44Å; E26-R29 IonicContact OE1-CZ 3.75Å; E26-R29 IonicContact OE1-NE 3.51Å; E26-R29 IonicContact OE1-NH2 3.55Å; E26-R29 PolarHBondContact OE1-NH2 3.37Å; E26-R29 IonicContact OE2-CZ 2.81Å; E26-R29 IonicContact OE2-NE 3.54Å; E26-R29 PolarHBondContact OE2-NE 2.9Å; E26-R29 IonicContact OE2-NH2 2.84Å; E26-R29 PolarHBondContact OE2-NH2 3.1Å; E26-V30 VanDerWaalsContact O-CG2 3.26Å; E26-V30 WeakPolarHBondContact O-CG2 3.45Å; E26-V30 PolarHBondContact O-N 3.26Å
27	W	93.6	Very high	92.5	Very high	112 Å²	112	59.7 Å²	59.7	42%	0.424	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175.4	-79.7	51.6	0	0	0	111.7	L9 C20 V23 C24 R29 V30 V31	L9-W27 HydrophobicContact CD2-CE3 4.35Å; L9-W27 HydrophobicContact CD2-CZ3 4.02Å; C20-W27 HydrophobicContact CB-CE3 3.81Å; C20-W27 HydrophobicContact CB-CZ3 4.15Å; C20-W27 WeakPolarHBondContact O-CB 3.25Å; V23-W27 HydrophobicContact CB-CB 4.22Å; V23-W27 HydrophobicContact CB-CD2 3.98Å; V23-W27 HydrophobicContact CB-CE3 4.14Å; V23-W27 HydrophobicContact CB-CG 4.03Å; V23-W27 HydrophobicContact CG1-CD2 3.92Å; V23-W27 HydrophobicContact CG1-CE3 4.4Å; V23-W27 HydrophobicContact CG1-CG 4.04Å; V23-W27 HydrophobicContact CG2-CD2 4.31Å; V23-W27 HydrophobicContact CG2-CE3 3.98Å; V23-W27 HydrophobicContact CG2-CZ3 4.35Å; C24-W27 PolarHBondContact O-N 3.04Å; W27-R29 VanDerWaalsContact C-N 3.31Å; W27-R29 PolarHBondContact O-N 3.27Å; W27-V30 PolarHBondContact O-N 3.31Å; W27-V31 VanDerWaalsContact O-CG2 3.25Å; W27-V31 WeakPolarHBondContact O-CG2 3.24Å; W27-V31 PolarHBondContact O-N 3.4Å
28	R	92.4	Very high	92.4	Very high	135 Å²	135	60.4 Å²	60.4	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-59.5	-42.7	174.1	-170.7	-178.1	-61.3	168.1	1	111.6	E21 C24 H25 V31 A32	E21-R28 HydrophobicContact CB-CG 4.47Å; E21-R28 PolarHBondContact O-NE 2.93Å; E21-R28 PolarHBondContact O-NH2 3.27Å; C24-R28 PolarHBondContact O-N 3.07Å; C24-R28 VanDerWaalsContact O-N 3.1Å; H25-R28 PolarHBondContact O-N 2.98Å; R28-V31 PolarHBondContact O-N 3.42Å; R28-A32 WeakPolarHBondContact O-CB 3.17Å; R28-A32 PolarHBondContact O-N 3.12Å
29	R	90.7	Very high	92.4	Very high	108 Å²	108	62.6 Å²	62.6	41%	0.408	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-45.6	175.6	-170.3	-174.7	72.8	90.9	-9.4	111.7	H25 E26 W27 V31 A32 D33	H25-R29 WeakPolarHBondContact O-CB 3.25Å; H25-R29 PolarHBondContact O-N 2.88Å; E26-R29 WeakPolarHBondContact O-CB 3.26Å; E26-R29 PolarHBondContact O-N 3.44Å; E26-R29 IonicContact OE1-CZ 3.75Å; E26-R29 IonicContact OE1-NE 3.51Å; E26-R29 IonicContact OE1-NH2 3.55Å; E26-R29 PolarHBondContact OE1-NH2 3.37Å; E26-R29 IonicContact OE2-CZ 2.81Å; E26-R29 IonicContact OE2-NE 3.54Å; E26-R29 PolarHBondContact OE2-NE 2.9Å; E26-R29 IonicContact OE2-NH2 2.84Å; E26-R29 PolarHBondContact OE2-NH2 3.1Å; W27-R29 VanDerWaalsContact C-N 3.31Å; W27-R29 PolarHBondContact O-N 3.27Å; R29-V31 VanDerWaalsContact C-N 3.33Å; R29-V31 PolarHBondContact O-N 3.03Å; R29-A32 PolarHBondContact O-N 3.31Å; R29-D33 WeakPolarHBondContact CG-OD2 3.13Å; R29-D33 IonicContact CZ-OD2 2.61Å; R29-D33 IonicContact NH1-OD2 3Å; R29-D33 PolarHBondContact NH1-OD2 3.34Å; R29-D33 WeakPolarHBondContact O-CB 3.18Å; R29-D33 VanDerWaalsContact O-CG 3.26Å; R29-D33 PolarHBondContact O-N 3.26Å
30	V	91.7	Very high	92.3	Very high	21 Å²	21	55.6 Å²	55.6	13%	0.127	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-39.6	176.9	172.7	0	0	0	0	111.5	A5 F6 L9 E26 W27 G34	A5-V30 HydrophobicContact CB-CG1 3.95Å; F6-V30 HydrophobicContact CD1-CG1 3.72Å; F6-V30 HydrophobicContact CE1-CB 4.45Å; F6-V30 HydrophobicContact CE1-CG1 3.73Å; F6-V30 VanDerWaalsContact CE1-O 3.24Å; F6-V30 WeakPolarHBondContact CE1-O 3.28Å; L9-V30 HydrophobicContact CD1-CG1 3.69Å; E26-V30 VanDerWaalsContact O-CG2 3.26Å; E26-V30 WeakPolarHBondContact O-CG2 3.45Å; E26-V30 PolarHBondContact O-N 3.26Å; W27-V30 PolarHBondContact O-N 3.31Å; V30-G34 PolarHBondContact O-N 3.43Å
31	V	91.9	Very high	92.3	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-43.3	174.9	170.7	0	0	0	0	111.3	L9 L17 E21 W27 R28 R29 M35 L36 H77	L9-V31 HydrophobicContact CD1-CG2 4.18Å; L17-V31 HydrophobicContact CD1-CG1 4.16Å; L17-V31 HydrophobicContact CD1-CG2 4.09Å; E21-V31 HydrophobicContact CG-CB 4.18Å; E21-V31 HydrophobicContact CG-CG1 3.77Å; E21-V31 HydrophobicContact CG-CG2 4.19Å; E21-V31 WeakPolarHBondContact OE1-CG1 3.49Å; W27-V31 VanDerWaalsContact O-CG2 3.25Å; W27-V31 WeakPolarHBondContact O-CG2 3.24Å; W27-V31 PolarHBondContact O-N 3.4Å; R28-V31 PolarHBondContact O-N 3.42Å; R29-V31 VanDerWaalsContact C-N 3.33Å; R29-V31 PolarHBondContact O-N 3.03Å; V31-M35 PolarHBondContact O-N 2.89Å; V31-L36 HydrophobicContact CB-CD1 4.27Å; V31-L36 HydrophobicContact CG1-CB 4.27Å; V31-L36 HydrophobicContact CG1-CD1 4.42Å; V31-L36 HydrophobicContact CG2-CD1 4.01Å; V31-L36 PolarHBondContact O-N 3.41Å; V31-H77 PolarHBondContact O-CE1 2.87Å
32	A	90.6	Very high	92.4	Very high	26 Å²	26	55.3 Å²	55.3	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-59.1	177.9	0	0	0	0	0	112.4	R28 R29 G34 M35 H77	R28-A32 WeakPolarHBondContact O-CB 3.17Å; R28-A32 PolarHBondContact O-N 3.12Å; R29-A32 PolarHBondContact O-N 3.31Å; A32-G34 PolarHBondContact O-N 3.36Å; A32-M35 PolarHBondContact O-N 3.13Å; A32-H77 VanDerWaalsContact CA-CE1 3.48Å; A32-H77 WeakPolarHBondContact CA-CE1 3.13Å
33	D	88.3	Confident	92.4	Very high	82 Å²	82	52.5 Å²	52.5	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-34.4	-178.9	-66.9	-6.3	0	0	0	111.6	F6 R29 M35	F6-D33 HydrophobicContact CE1-CB 4.36Å; F6-D33 HydrophobicContact CZ-CB 4.12Å; R29-D33 WeakPolarHBondContact CG-OD2 3.13Å; R29-D33 IonicContact CZ-OD2 2.61Å; R29-D33 IonicContact NH1-OD2 3Å; R29-D33 PolarHBondContact NH1-OD2 3.34Å; R29-D33 WeakPolarHBondContact O-CB 3.18Å; R29-D33 VanDerWaalsContact O-CG 3.26Å; R29-D33 PolarHBondContact O-N 3.26Å; D33-M35 VanDerWaalsContact C-N 3.26Å; D33-M35 PolarHBondContact O-N 3.19Å
34	G	88.5	Confident	92.3	Very high	4 Å²	4	51.7 Å²	51.7	4%	0.041	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.6	177.9	0	0	0	0	0	114.9	V30 A32 L36 K39	V30-G34 PolarHBondContact O-N 3.43Å; A32-G34 PolarHBondContact O-N 3.36Å; G34-L36 VanDerWaalsContact C-N 3.27Å; G34-L36 PolarHBondContact O-N 3.25Å; G34-K39 VanDerWaalsContact O-CE 3.25Å; G34-K39 WeakPolarHBondContact O-CE 3.48Å; G34-K39 PolarHBondContact O-NZ 2.83Å; G34-K39 VanDerWaalsContact O-NZ 3.07Å
35	M	90.4	Very high	92.2	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.089	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	43.2	-174.2	-66.4	-66.1	-70.8	0	0	112.6	V31 A32 D33 W37 K38 K39 S71 M76 H77 Y80	V31-M35 PolarHBondContact O-N 2.89Å; A32-M35 PolarHBondContact O-N 3.13Å; D33-M35 VanDerWaalsContact C-N 3.26Å; D33-M35 PolarHBondContact O-N 3.19Å; M35-W37 PolarHBondContact O-N 3.1Å; M35-K38 HydrophobicContact CB-CB 4.3Å; M35-K38 HydrophobicContact CE-CB 4.27Å; M35-K38 HydrophobicContact CE-CD 4.09Å; M35-K38 WeakPolarHBondContact O-CB 3.5Å; M35-K38 PolarHBondContact O-N 2.95Å; M35-K39 PolarHBondContact O-N 2.88Å; M35-S71 VanDerWaalsContact CE-O 3.32Å; M35-S71 WeakPolarHBondContact CE-O 3.35Å; M35-M76 HydrophobicContact CE-CB 3.93Å; M35-H77 HydrophobicContact CE-CB 4.49Å; M35-H77 HydrophobicContact SD-CB 3.74Å; M35-Y80 HydrophobicContact CE-CD2 3.54Å; M35-Y80 HydrophobicContact CE-CE2 3.49Å; M35-Y80 VanDerWaalsContact CE-CE2 3.49Å
36	L	93	Very high	92.2	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-30.7	-167.5	-61.4	-174.2	0	0	0	113.9	L9 L17 V31 G34 K39 L40	L9-L36 HydrophobicContact CB-CD1 3.32Å; L9-L36 HydrophobicContact CD1-CD1 3.85Å; L9-L36 HydrophobicContact CG-CD1 4.25Å; L17-L36 HydrophobicContact CD1-CB 3.98Å; L17-L36 HydrophobicContact CD1-CD1 3.81Å; L17-L36 HydrophobicContact CD2-CB 4.11Å; V31-L36 HydrophobicContact CB-CD1 4.27Å; V31-L36 HydrophobicContact CG1-CB 4.27Å; V31-L36 HydrophobicContact CG1-CD1 4.42Å; V31-L36 HydrophobicContact CG2-CD1 4.01Å; V31-L36 PolarHBondContact O-N 3.41Å; G34-L36 VanDerWaalsContact C-N 3.27Å; G34-L36 PolarHBondContact O-N 3.25Å; L36-K39 HydrophobicContact CD2-CD 4.18Å; L36-K39 PolarHBondContact O-N 3.21Å; L36-L40 VanDerWaalsContact O-CB 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.42Å; L36-L40 PolarHBondContact O-N 3.03Å
37	W	93.8	Very high	92.2	Very high	13 Å²	13	51 Å²	51	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-42	172.3	-73.8	108.9	0	0	0	112.4	A14 L17 E21 M35 L40 I41 H77 R81 Y84	A14-W37 HydrophobicContact CB-CH2 4.3Å; A14-W37 HydrophobicContact CB-CZ3 4.06Å; L17-W37 HydrophobicContact CD2-CD2 3.89Å; L17-W37 HydrophobicContact CD2-CE3 4.17Å; L17-W37 HydrophobicContact CD2-CG 4.3Å; L17-W37 HydrophobicContact CD2-CZ2 4.27Å; L17-W37 HydrophobicContact CD2-CZ3 4.47Å; L17-W37 HydrophobicContact CG-CZ2 4.34Å; E21-W37 PolarHBondContact OE1-NE1 2.84Å; M35-W37 PolarHBondContact O-N 3.1Å; W37-L40 HydrophobicContact CE3-CD2 3.86Å; W37-L40 HydrophobicContact CZ3-CD2 3.81Å; W37-L40 WeakPolarHBondContact O-CB 3.43Å; W37-L40 PolarHBondContact O-N 3.25Å; W37-I41 WeakPolarHBondContact O-CG1 3.49Å; W37-I41 PolarHBondContact O-N 3.44Å; W37-H77 AromaticContact CD1-CE1 3.45Å; W37-H77 VanDerWaalsContact CD1-CE1 3.45Å; W37-H77 AromaticContact CD1-NE2 3.56Å; W37-R81 HydrophobicContact CB-CB 4.48Å; W37-R81 HydrophobicContact CD2-CB 4.4Å; W37-R81 HydrophobicContact CD2-CG 4.31Å; W37-R81 HydrophobicContact CG-CB 3.93Å; W37-R81 HydrophobicContact CG-CG 4.27Å; W37-R81 HydrophobicContact CZ2-CG 4.45Å; W37-Y84 HydrophobicContact CE3-CD1 4.36Å; W37-Y84 AromaticContact CE3-CD2 3.96Å; W37-Y84 HydrophobicContact CE3-CD2 3.96Å; W37-Y84 AromaticContact CE3-CG 3.76Å; W37-Y84 HydrophobicContact CE3-CG 3.76Å; W37-Y84 AromaticContact CZ3-CD1 3.68Å; W37-Y84 HydrophobicContact CZ3-CD1 3.68Å; W37-Y84 AromaticContact CZ3-CD2 3.99Å; W37-Y84 HydrophobicContact CZ3-CD2 3.99Å; W37-Y84 HydrophobicContact CZ3-CE1 4.25Å; W37-Y84 AromaticContact CZ3-CG 3.55Å; W37-Y84 HydrophobicContact CZ3-CG 3.55Å
38	K	92.2	Very high	91.9	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.087	22%	0.222	C	C	.	.	H	α-helix	trans	-58.7	-49.5	172.3	-177.6	179.7	-174.1	-91.9	0	110.7	M35 L40 I41 E42 V66 Y80	M35-K38 HydrophobicContact CB-CB 4.3Å; M35-K38 HydrophobicContact CE-CB 4.27Å; M35-K38 HydrophobicContact CE-CD 4.09Å; M35-K38 WeakPolarHBondContact O-CB 3.5Å; M35-K38 PolarHBondContact O-N 2.95Å; K38-L40 VanDerWaalsContact C-N 3.28Å; K38-L40 PolarHBondContact O-N 3.33Å; K38-I41 PolarHBondContact O-N 3.33Å; K38-E42 WeakPolarHBondContact CE-OE1 3.45Å; K38-E42 HydrophobicContact CG-CG 4.41Å; K38-E42 IonicContact NZ-OE1 3.36Å; K38-E42 PolarHBondContact NZ-OE1 3.32Å; K38-E42 WeakPolarHBondContact O-CB 3.3Å; K38-E42 WeakPolarHBondContact O-CG 3.41Å; K38-E42 PolarHBondContact O-N 2.94Å; K38-V66 PolarHBondContact NZ-O 2.96Å; K38-Y80 HydrophobicContact CB-CD1 4.17Å; K38-Y80 HydrophobicContact CB-CD2 3.66Å; K38-Y80 HydrophobicContact CB-CE1 4.37Å; K38-Y80 HydrophobicContact CB-CE2 3.92Å; K38-Y80 HydrophobicContact CB-CG 3.81Å; K38-Y80 HydrophobicContact CD-CD2 4.3Å; K38-Y80 HydrophobicContact CD-CE1 4.4Å; K38-Y80 HydrophobicContact CD-CE2 3.66Å; K38-Y80 WeakPolarHBondContact CE-OH 3.28Å; K38-Y80 HydrophobicContact CG-CD1 4.29Å; K38-Y80 HydrophobicContact CG-CD2 4.18Å; K38-Y80 HydrophobicContact CG-CE1 4.02Å; K38-Y80 HydrophobicContact CG-CE2 3.92Å; K38-Y80 HydrophobicContact CG-CG 4.37Å
39	K	92.8	Very high	91.6	Very high	80 Å²	80	45.4 Å²	45.4	35%	0.348	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-36.1	178.9	-70.6	179.9	-179	166.8	0	112.3	G34 M35 L36 R43	G34-K39 VanDerWaalsContact O-CE 3.25Å; G34-K39 WeakPolarHBondContact O-CE 3.48Å; G34-K39 PolarHBondContact O-NZ 2.83Å; G34-K39 VanDerWaalsContact O-NZ 3.07Å; M35-K39 PolarHBondContact O-N 2.88Å; L36-K39 HydrophobicContact CD2-CD 4.18Å; L36-K39 PolarHBondContact O-N 3.21Å; K39-R43 VanDerWaalsContact O-CB 3.26Å; K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 3.05Å
40	L	94.1	Very high	91.5	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-47.7	175.2	178.3	62.3	0	0	0	111.3	A14 L17 L36 W37 K38 R43 K44 Y84	A14-L40 HydrophobicContact CB-CD2 3.9Å; L17-L40 HydrophobicContact CD2-CD2 4.04Å; L36-L40 VanDerWaalsContact O-CB 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.42Å; L36-L40 PolarHBondContact O-N 3.03Å; W37-L40 HydrophobicContact CE3-CD2 3.86Å; W37-L40 HydrophobicContact CZ3-CD2 3.81Å; W37-L40 WeakPolarHBondContact O-CB 3.43Å; W37-L40 PolarHBondContact O-N 3.25Å; K38-L40 VanDerWaalsContact C-N 3.28Å; K38-L40 PolarHBondContact O-N 3.33Å; L40-R43 PolarHBondContact O-N 3.18Å; L40-K44 WeakPolarHBondContact O-CG 3.4Å; L40-K44 PolarHBondContact O-N 3.42Å; L40-Y84 HydrophobicContact CD2-CD2 3.98Å; L40-Y84 HydrophobicContact CD2-CE2 3.54Å; L40-Y84 HydrophobicContact CG-CD2 4.3Å; L40-Y84 HydrophobicContact CG-CE2 3.74Å
41	I	92.6	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-48.2	175.6	-65.1	165.5	0	0	0	110.2	W37 K38 R43 K44 V45 W51 W60 L64 Y80 L83 Y84 I87	W37-I41 WeakPolarHBondContact O-CG1 3.49Å; W37-I41 PolarHBondContact O-N 3.44Å; K38-I41 PolarHBondContact O-N 3.33Å; I41-R43 VanDerWaalsContact C-N 3.31Å; I41-R43 PolarHBondContact O-N 2.84Å; I41-K44 WeakPolarHBondContact O-CB 3.41Å; I41-K44 PolarHBondContact O-N 3.25Å; I41-K44 VanDerWaalsContact O-N 3.11Å; I41-V45 HydrophobicContact CG2-CG2 4.35Å; I41-V45 WeakPolarHBondContact O-CG2 3.47Å; I41-V45 PolarHBondContact O-N 3.38Å; I41-W51 HydrophobicContact CG1-CZ3 4.27Å; I41-W51 HydrophobicContact CG2-CE3 4.43Å; I41-W51 HydrophobicContact CG2-CZ3 4.26Å; I41-W60 HydrophobicContact CG2-CZ3 4.01Å; I41-L64 HydrophobicContact CB-CD2 4.43Å; I41-L64 HydrophobicContact CG2-CD1 3.78Å; I41-L64 HydrophobicContact CG2-CD2 3.91Å; I41-Y80 HydrophobicContact CD1-CD1 4.17Å; I41-L83 HydrophobicContact CD1-CD2 4.3Å; I41-Y84 HydrophobicContact CD1-CD2 4.48Å; I41-Y84 HydrophobicContact CG1-CD2 3.77Å; I41-I87 HydrophobicContact CD1-CD1 4.4Å; I41-I87 HydrophobicContact CG2-CD1 4.25Å
42	E	94.5	Very high	91.4	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.075	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-40.8	176.6	-76.7	-177.6	179.3	0	0	112.5	K38 R46 L64 F65	K38-E42 WeakPolarHBondContact CE-OE1 3.45Å; K38-E42 HydrophobicContact CG-CG 4.41Å; K38-E42 IonicContact NZ-OE1 3.36Å; K38-E42 PolarHBondContact NZ-OE1 3.32Å; K38-E42 WeakPolarHBondContact O-CB 3.3Å; K38-E42 WeakPolarHBondContact O-CG 3.41Å; K38-E42 PolarHBondContact O-N 2.94Å; E42-R46 WeakPolarHBondContact O-CG 3.47Å; E42-R46 PolarHBondContact O-N 3.38Å; E42-R46 IonicContact OE2-NH2 2.83Å; E42-L64 HydrophobicContact CG-CB 4.17Å; E42-L64 HydrophobicContact CG-CD2 4.09Å; E42-F65 HydrophobicContact CB-CD1 4.28Å; E42-F65 HydrophobicContact CB-CE1 3.63Å; E42-F65 HydrophobicContact CB-CZ 4.24Å; E42-F65 HydrophobicContact CG-CD1 3.84Å; E42-F65 HydrophobicContact CG-CE1 3.62Å; E42-F65 HydrophobicContact CG-CZ 4.2Å; E42-F65 WeakPolarHBondContact OE1-CA 3.34Å; E42-F65 PolarHBondContact OE1-N 3.33Å
43	R	94.3	Very high	91.3	Very high	80 Å²	80	44 Å²	44	30%	0.302	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-46	174.7	-178.5	175.3	63.5	165.8	-1.6	110.5	S10 Y11 L12 K39 L40 I41 R46 T47	S10-R43 PolarHBondContact O-NH1 3.36Å; S10-R43 VanDerWaalsContact O-NH1 3.12Å; Y11-R43 PolarHBondContact O-NH1 2.97Å; L12-R43 PolarHBondContact O-NH2 3.39Å; K39-R43 VanDerWaalsContact O-CB 3.26Å; K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 3.05Å; L40-R43 PolarHBondContact O-N 3.18Å; I41-R43 VanDerWaalsContact C-N 3.31Å; I41-R43 PolarHBondContact O-N 2.84Å; R43-R46 PolarHBondContact O-N 3.35Å; R43-T47 WeakPolarHBondContact O-CG2 3.27Å; R43-T47 PolarHBondContact O-N 3.35Å; R43-T47 PolarHBondContact O-OG1 3.25Å
44	K	92.5	Very high	91.3	Very high	70 Å²	70	40.1 Å²	40.1	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-47.7	176.9	-72.6	-71.5	-173.5	178.2	0	112	L40 I41 R46 T47 D48 W51	L40-K44 WeakPolarHBondContact O-CG 3.4Å; L40-K44 PolarHBondContact O-N 3.42Å; I41-K44 WeakPolarHBondContact O-CB 3.41Å; I41-K44 PolarHBondContact O-N 3.25Å; I41-K44 VanDerWaalsContact O-N 3.11Å; K44-R46 VanDerWaalsContact C-N 3.27Å; K44-R46 PolarHBondContact O-N 2.84Å; K44-T47 PolarHBondContact O-N 2.78Å; K44-T47 VanDerWaalsContact O-N 3.07Å; K44-T47 PolarHBondContact O-OG1 3.38Å; K44-D48 WeakPolarHBondContact O-CB 3.21Å; K44-D48 PolarHBondContact O-N 3.28Å; K44-W51 HydrophobicContact CB-CB 4.38Å; K44-W51 HydrophobicContact CB-CD2 3.47Å; K44-W51 VanDerWaalsContact CB-CD2 3.47Å; K44-W51 HydrophobicContact CB-CE3 3.5Å; K44-W51 HydrophobicContact CB-CG 3.87Å; K44-W51 HydrophobicContact CB-CH2 4.46Å; K44-W51 HydrophobicContact CB-CZ2 4.42Å; K44-W51 HydrophobicContact CB-CZ3 4.02Å; K44-W51 HydrophobicContact CD-CZ2 4.4Å; K44-W51 HydrophobicContact CG-CD2 4.12Å; K44-W51 HydrophobicContact CG-CE3 4.19Å; K44-W51 HydrophobicContact CG-CH2 4.28Å; K44-W51 HydrophobicContact CG-CZ2 4.17Å; K44-W51 HydrophobicContact CG-CZ3 4.27Å
45	V	92.5	Very high	91.3	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-35.5	176.4	168.7	0	0	0	0	112.5	I41 W51 K52 A55 W60 M61 L64 F65	I41-V45 HydrophobicContact CG2-CG2 4.35Å; I41-V45 WeakPolarHBondContact O-CG2 3.47Å; I41-V45 PolarHBondContact O-N 3.38Å; V45-W51 HydrophobicContact CG2-CB 4.19Å; V45-K52 HydrophobicContact CG1-CB 4.26Å; V45-K52 HydrophobicContact CG1-CG 4.35Å; V45-A55 HydrophobicContact CG2-CB 4.32Å; V45-W60 HydrophobicContact CG2-CH2 4.07Å; V45-W60 HydrophobicContact CG2-CZ3 3.71Å; V45-M61 HydrophobicContact CG1-CE 4.04Å; V45-M61 HydrophobicContact CG1-SD 4.01Å; V45-L64 HydrophobicContact CG2-CD1 3.78Å; V45-F65 HydrophobicContact CB-CZ 4.27Å; V45-F65 HydrophobicContact CG1-CE2 4Å; V45-F65 HydrophobicContact CG1-CZ 3.87Å
46	R	93.7	Very high	91.3	Very high	160 Å²	160	43 Å²	43	60%	0.604	21%	0.211	S	C	*	.	H	α-helix	trans	-71.1	-28.8	175.9	-72.9	-178.9	-167.2	110	-1	113.6	E42 R43 K44 F65	E42-R46 WeakPolarHBondContact O-CG 3.47Å; E42-R46 PolarHBondContact O-N 3.38Å; E42-R46 IonicContact OE2-NH2 2.83Å; R43-R46 PolarHBondContact O-N 3.35Å; K44-R46 VanDerWaalsContact C-N 3.27Å; K44-R46 PolarHBondContact O-N 2.84Å; R46-F65 HydrophobicContact CG-CE1 4.19Å; R46-F65 HydrophobicContact CG-CZ 4.26Å; R46-F65 VanDerWaalsContact CZ-CE1 3.46Å; R46-F65 VanDerWaalsContact NH2-CD1 3.3Å; R46-F65 VanDerWaalsContact NH2-CE1 3.3Å
47	T	91.2	Very high	91	Very high	110 Å²	110	46.5 Å²	46.5	68%	0.675	23%	0.226	S	C	*	.	H	α-helix	trans	-108.1	-18.7	-170.2	57.8	0	0	0	0	114.6	R43 K44	R43-T47 WeakPolarHBondContact O-CG2 3.27Å; R43-T47 PolarHBondContact O-N 3.35Å; R43-T47 PolarHBondContact O-OG1 3.25Å; K44-T47 PolarHBondContact O-N 2.78Å; K44-T47 VanDerWaalsContact O-N 3.07Å; K44-T47 PolarHBondContact O-OG1 3.38Å
48	D	87.4	Confident	90.6	Very high	57 Å²	57	50.9 Å²	50.9	31%	0.305	24%	0.242	S	C	.	.			trans	-127.5	113.9	-171.9	-170.3	-25.5	0	0	0	109.9	K44 L50 W51 K52	K44-D48 WeakPolarHBondContact O-CB 3.21Å; K44-D48 PolarHBondContact O-N 3.28Å; D48-L50 PolarHBondContact O-N 3.13Å; D48-L50 WeakPolarHBondContact OD1-CB 3.38Å; D48-L50 PolarHBondContact OD1-N 3.17Å; D48-W51 HydrophobicContact CB-CB 4.2Å; D48-W51 HydrophobicContact CB-CG 4.22Å; D48-W51 VanDerWaalsContact CG-CD1 3.47Å; D48-W51 WeakPolarHBondContact O-CB 3.25Å; D48-W51 PolarHBondContact O-N 3.01Å; D48-W51 VanDerWaalsContact O-N 3.11Å; D48-W51 VanDerWaalsContact OD2-CD1 3.27Å; D48-K52 PolarHBondContact O-N 3.02Å
49	A	86.8	Confident	90.3	Very high	72 Å²	72	51 Å²	51	60%	0.595	25%	0.249	S	C	*	.	H	α-helix	trans	-60.8	-32.4	-177.5	0	0	0	0	0	112.6	K52 G53	A49-K52 PolarHBondContact O-N 3.38Å; A49-G53 PolarHBondContact O-N 3.2Å
50	L	87.8	Confident	90.1	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-43.6	176	175	67.1	0	0	0	110.7	D48 L54 I91 D393 F394	D48-L50 PolarHBondContact O-N 3.13Å; D48-L50 WeakPolarHBondContact OD1-CB 3.38Å; D48-L50 PolarHBondContact OD1-N 3.17Å; L50-L54 WeakPolarHBondContact O-CB 3.37Å; L50-L54 PolarHBondContact O-N 3.46Å; L50-I91 HydrophobicContact CD2-CB 4.04Å; L50-I91 HydrophobicContact CD2-CD1 4.14Å; L50-I91 HydrophobicContact CD2-CG1 3.83Å; L50-I91 HydrophobicContact CD2-CG2 3.39Å; L50-I91 HydrophobicContact CG-CD1 4.09Å; L50-I91 HydrophobicContact CG-CG1 4.01Å; L50-I91 HydrophobicContact CG-CG2 4.43Å; L50-D393 HydrophobicContact CD1-CB 3.64Å; L50-F394 HydrophobicContact CD1-CD1 4.43Å; L50-F394 HydrophobicContact CD1-CE1 3.56Å; L50-F394 HydrophobicContact CD1-CZ 3.78Å
51	W	91	Very high	89.7	Confident	10 Å²	10	49.8 Å²	49.8	4%	0.038	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-42.2	176.6	-78.9	67.9	0	0	0	111.2	I41 K44 V45 D48 A55 W60 Y84 I87 V88 I91	I41-W51 HydrophobicContact CG1-CZ3 4.27Å; I41-W51 HydrophobicContact CG2-CE3 4.43Å; I41-W51 HydrophobicContact CG2-CZ3 4.26Å; K44-W51 HydrophobicContact CB-CB 4.38Å; K44-W51 HydrophobicContact CB-CD2 3.47Å; K44-W51 VanDerWaalsContact CB-CD2 3.47Å; K44-W51 HydrophobicContact CB-CE3 3.5Å; K44-W51 HydrophobicContact CB-CG 3.87Å; K44-W51 HydrophobicContact CB-CH2 4.46Å; K44-W51 HydrophobicContact CB-CZ2 4.42Å; K44-W51 HydrophobicContact CB-CZ3 4.02Å; K44-W51 HydrophobicContact CD-CZ2 4.4Å; K44-W51 HydrophobicContact CG-CD2 4.12Å; K44-W51 HydrophobicContact CG-CE3 4.19Å; K44-W51 HydrophobicContact CG-CH2 4.28Å; K44-W51 HydrophobicContact CG-CZ2 4.17Å; K44-W51 HydrophobicContact CG-CZ3 4.27Å; V45-W51 HydrophobicContact CG2-CB 4.19Å; D48-W51 HydrophobicContact CB-CB 4.2Å; D48-W51 HydrophobicContact CB-CG 4.22Å; D48-W51 VanDerWaalsContact CG-CD1 3.47Å; D48-W51 WeakPolarHBondContact O-CB 3.25Å; D48-W51 PolarHBondContact O-N 3.01Å; D48-W51 VanDerWaalsContact O-N 3.11Å; D48-W51 VanDerWaalsContact OD2-CD1 3.27Å; W51-A55 WeakPolarHBondContact O-CB 3.19Å; W51-A55 PolarHBondContact O-N 3.34Å; W51-W60 HydrophobicContact CE3-CH2 4.42Å; W51-W60 VanDerWaalsContact O-CH2 3.25Å; W51-W60 WeakPolarHBondContact O-CH2 3.26Å; W51-Y84 AromaticContact CH2-CD2 3.86Å; W51-Y84 HydrophobicContact CH2-CD2 3.86Å; W51-Y84 AromaticContact CH2-CE2 3.4Å; W51-Y84 HydrophobicContact CH2-CE2 3.4Å; W51-Y84 VanDerWaalsContact CH2-CE2 3.4Å; W51-Y84 AromaticContact CH2-CZ 3.77Å; W51-Y84 HydrophobicContact CZ2-CE2 4.24Å; W51-Y84 HydrophobicContact CZ3-CD2 4.27Å; W51-Y84 HydrophobicContact CZ3-CE2 4.06Å; W51-I87 HydrophobicContact CD2-CG2 4.09Å; W51-I87 HydrophobicContact CE3-CD1 4.48Å; W51-I87 HydrophobicContact CE3-CG2 3.74Å; W51-I87 HydrophobicContact CH2-CB 4.21Å; W51-I87 HydrophobicContact CH2-CG2 3.61Å; W51-I87 HydrophobicContact CZ2-CG2 3.99Å; W51-I87 HydrophobicContact CZ3-CB 4.16Å; W51-I87 HydrophobicContact CZ3-CD1 3.94Å; W51-I87 HydrophobicContact CZ3-CG2 3.49Å; W51-I87 VanDerWaalsContact CZ3-CG2 3.49Å; W51-V88 HydrophobicContact CH2-CG2 4.34Å; W51-V88 HydrophobicContact CZ2-CG2 4.24Å; W51-I91 HydrophobicContact CD2-CD1 3.96Å; W51-I91 HydrophobicContact CG-CD1 3.91Å; W51-I91 HydrophobicContact CZ2-CD1 4.32Å
52	K	90.9	Very high	89.4	Confident	101 Å²	101	56.5 Å²	56.5	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-53.6	176.7	-174	-172.8	171.5	-168.7	0	111.9	V45 D48 A49 L54 A55 E56 M61	V45-K52 HydrophobicContact CG1-CB 4.26Å; V45-K52 HydrophobicContact CG1-CG 4.35Å; D48-K52 PolarHBondContact O-N 3.02Å; A49-K52 PolarHBondContact O-N 3.38Å; K52-L54 VanDerWaalsContact C-N 3.28Å; K52-L54 PolarHBondContact O-N 2.98Å; K52-A55 WeakPolarHBondContact O-CB 3.36Å; K52-A55 PolarHBondContact O-N 3.12Å; K52-A55 VanDerWaalsContact O-N 3.1Å; K52-E56 WeakPolarHBondContact CE-OE1 3.41Å; K52-E56 PolarHBondContact O-N 3.25Å; K52-E56 VanDerWaalsContact O-N 3.13Å; K52-M61 HydrophobicContact CG-CE 4.09Å
53	G	88.1	Confident	88.9	Confident	10 Å²	10	62.7 Å²	62.7	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-34.3	-178.6	0	0	0	0	0	112.5	A49 E56 K57	A49-G53 PolarHBondContact O-N 3.2Å; G53-E56 PolarHBondContact O-N 3.11Å; G53-K57 WeakPolarHBondContact O-CB 3.44Å; G53-K57 VanDerWaalsContact O-CG 3.31Å; G53-K57 WeakPolarHBondContact O-CG 3.36Å; G53-K57 PolarHBondContact O-N 3.42Å
54	L	89	Confident	88.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-36.6	174.8	-167.7	67.2	0	0	0	111.6	L50 K52 E56 K57 R58 W60 I87 D90 I91 I110 F394 L411	L50-L54 WeakPolarHBondContact O-CB 3.37Å; L50-L54 PolarHBondContact O-N 3.46Å; K52-L54 VanDerWaalsContact C-N 3.28Å; K52-L54 PolarHBondContact O-N 2.98Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 3.05Å; L54-K57 PolarHBondContact O-N 2.91Å; L54-R58 HydrophobicContact CD1-CG 3.69Å; L54-R58 HydrophobicContact CG-CG 3.99Å; L54-R58 VanDerWaalsContact O-CB 3.27Å; L54-R58 WeakPolarHBondContact O-CB 3.32Å; L54-R58 WeakPolarHBondContact O-CG 3.18Å; L54-R58 PolarHBondContact O-N 3.06Å; L54-W60 HydrophobicContact CB-CZ2 4.05Å; L54-W60 HydrophobicContact CD2-CZ2 4.26Å; L54-W60 HydrophobicContact CG-CZ2 4.04Å; L54-I87 HydrophobicContact CD2-CG2 4.18Å; L54-D90 WeakPolarHBondContact CD1-OD2 3.44Å; L54-D90 HydrophobicContact CD2-CB 3.92Å; L54-I91 HydrophobicContact CD2-CD1 3.92Å; L54-I91 HydrophobicContact CD2-CG1 3.66Å; L54-I110 HydrophobicContact CD1-CD1 4.14Å; L54-F394 HydrophobicContact CB-CE1 4.24Å; L54-F394 HydrophobicContact CB-CZ 4.23Å; L54-F394 HydrophobicContact CD1-CE1 4.13Å; L54-L411 HydrophobicContact CD1-CD1 3.65Å; L54-L411 HydrophobicContact CD1-CD2 4.49Å
55	A	89.6	Confident	88.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-44.9	174.4	0	0	0	0	0	112.3	V45 W51 K52 G59 W60 M61	V45-A55 HydrophobicContact CG2-CB 4.32Å; W51-A55 WeakPolarHBondContact O-CB 3.19Å; W51-A55 PolarHBondContact O-N 3.34Å; K52-A55 WeakPolarHBondContact O-CB 3.36Å; K52-A55 PolarHBondContact O-N 3.12Å; K52-A55 VanDerWaalsContact O-N 3.1Å; A55-G59 CarbonylContact O-C 3.51Å; A55-G59 PolarHBondContact O-N 3.47Å; A55-G59 VanDerWaalsContact O-N 3.11Å; A55-W60 VanDerWaalsContact CA-CE2 3.41Å; A55-W60 VanDerWaalsContact CA-CH2 3.42Å; A55-W60 HydrophobicContact CB-CD2 3.97Å; A55-W60 HydrophobicContact CB-CE3 3.44Å; A55-W60 VanDerWaalsContact CB-CE3 3.44Å; A55-W60 HydrophobicContact CB-CH2 3.33Å; A55-W60 HydrophobicContact CB-CZ2 3.86Å; A55-W60 HydrophobicContact CB-CZ3 3.1Å; A55-W60 PolarHBondContact O-N 3.21Å; A55-W60 VanDerWaalsContact O-N 3.12Å; A55-M61 HydrophobicContact CB-CB 3.84Å; A55-M61 HydrophobicContact CB-CG 4.41Å; A55-M61 HydrophobicContact CB-SD 3.91Å; A55-M61 WeakPolarHBondContact O-CB 3.37Å; A55-M61 PolarHBondContact O-N 3.03Å
56	E	89.2	Confident	87.9	Confident	83 Å²	83	62.6 Å²	62.6	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-70.4	-51	-179.4	-69.2	162.8	171.6	0	0	110.1	K52 G53 L54 R58 G59 M61	K52-E56 WeakPolarHBondContact CE-OE1 3.41Å; K52-E56 PolarHBondContact O-N 3.25Å; K52-E56 VanDerWaalsContact O-N 3.13Å; G53-E56 PolarHBondContact O-N 3.11Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 3.05Å; E56-R58 PolarHBondContact O-N 3.43Å; E56-G59 PolarHBondContact O-N 2.92Å; E56-M61 HydrophobicContact CG-CB 4.5Å; E56-M61 HydrophobicContact CG-CE 4.14Å; E56-M61 HydrophobicContact CG-CG 4.35Å
57	K	86.3	Confident	86.9	Confident	78 Å²	78	64.8 Å²	64.8	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-68.7	-30.6	-176.6	-68	-176.4	-168.6	-56.5	0	114.2	G53 L54 D141 F394 L411	G53-K57 WeakPolarHBondContact O-CB 3.44Å; G53-K57 VanDerWaalsContact O-CG 3.31Å; G53-K57 WeakPolarHBondContact O-CG 3.36Å; G53-K57 PolarHBondContact O-N 3.42Å; L54-K57 PolarHBondContact O-N 2.91Å; K57-D141 IonicContact NZ-OD1 3.57Å; K57-D141 PolarHBondContact NZ-OD1 2.9Å; K57-F394 HydrophobicContact CD-CB 4.48Å; K57-F394 HydrophobicContact CD-CD2 3.86Å; K57-F394 HydrophobicContact CD-CE2 4.22Å; K57-F394 HydrophobicContact CD-CG 4.01Å; K57-L411 HydrophobicContact CB-CD2 3.87Å; K57-L411 HydrophobicContact CD-CD2 3.61Å; K57-L411 HydrophobicContact CG-CD2 4.35Å
58	R	87	Confident	85.3	Confident	104 Å²	104	62.1 Å²	62.1	39%	0.392	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.8	176.3	-62.1	-69.4	-165.7	-151.2	-1.4	113.2	L54 E56 W60 D90	L54-R58 HydrophobicContact CD1-CG 3.69Å; L54-R58 HydrophobicContact CG-CG 3.99Å; L54-R58 VanDerWaalsContact O-CB 3.27Å; L54-R58 WeakPolarHBondContact O-CB 3.32Å; L54-R58 WeakPolarHBondContact O-CG 3.18Å; L54-R58 PolarHBondContact O-N 3.06Å; E56-R58 PolarHBondContact O-N 3.43Å; R58-W60 VanDerWaalsContact C-N 3.32Å; R58-W60 VanDerWaalsContact CB-CD1 3.43Å; R58-W60 PolarHBondContact O-N 3.45Å; R58-D90 IonicContact CZ-OD2 3.42Å; R58-D90 IonicContact NE-OD2 2.91Å; R58-D90 PolarHBondContact NE-OD2 3.26Å; R58-D90 IonicContact NH2-OD1 3.4Å; R58-D90 PolarHBondContact NH2-OD1 3.13Å; R58-D90 VanDerWaalsContact NH2-OD1 3.1Å; R58-D90 IonicContact NH2-OD2 3.63Å; R58-D90 PolarHBondContact NH2-OD2 3.14Å
59	G	85.4	Confident	83.7	Confident	22 Å²	22	68.8 Å²	68.8	23%	0.227	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	7.9	174.8	0	0	0	0	0	116.1	A55 E56 M61 H62	A55-G59 CarbonylContact O-C 3.51Å; A55-G59 PolarHBondContact O-N 3.47Å; A55-G59 VanDerWaalsContact O-N 3.11Å; E56-G59 PolarHBondContact O-N 2.92Å; G59-M61 VanDerWaalsContact C-N 3.32Å; G59-H62 PolarHBondContact O-CD2 3.11Å
60	W	87.5	Confident	82.1	Confident	21 Å²	21	69.4 Å²	69.4	8%	0.08	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-85.3	-5.1	177	49.5	-101.5	0	0	0	113.8	I41 V45 W51 L54 A55 R58 H62 Y63 L64 L83 I87	I41-W60 HydrophobicContact CG2-CZ3 4.01Å; V45-W60 HydrophobicContact CG2-CH2 4.07Å; V45-W60 HydrophobicContact CG2-CZ3 3.71Å; W51-W60 HydrophobicContact CE3-CH2 4.42Å; W51-W60 VanDerWaalsContact O-CH2 3.25Å; W51-W60 WeakPolarHBondContact O-CH2 3.26Å; L54-W60 HydrophobicContact CB-CZ2 4.05Å; L54-W60 HydrophobicContact CD2-CZ2 4.26Å; L54-W60 HydrophobicContact CG-CZ2 4.04Å; A55-W60 VanDerWaalsContact CA-CE2 3.41Å; A55-W60 VanDerWaalsContact CA-CH2 3.42Å; A55-W60 HydrophobicContact CB-CD2 3.97Å; A55-W60 HydrophobicContact CB-CE3 3.44Å; A55-W60 VanDerWaalsContact CB-CE3 3.44Å; A55-W60 HydrophobicContact CB-CH2 3.33Å; A55-W60 HydrophobicContact CB-CZ2 3.86Å; A55-W60 HydrophobicContact CB-CZ3 3.1Å; A55-W60 PolarHBondContact O-N 3.21Å; A55-W60 VanDerWaalsContact O-N 3.12Å; R58-W60 VanDerWaalsContact C-N 3.32Å; R58-W60 VanDerWaalsContact CB-CD1 3.43Å; R58-W60 PolarHBondContact O-N 3.45Å; W60-H62 PolarHBondContact O-N 2.87Å; W60-Y63 HydrophobicContact CB-CD2 4.31Å; W60-Y63 PolarHBondContact O-N 3.35Å; W60-L64 HydrophobicContact CE3-CD1 3.74Å; W60-L64 HydrophobicContact CE3-CG 4.49Å; W60-L64 HydrophobicContact CZ3-CD1 3.65Å; W60-L83 HydrophobicContact CB-CD2 4.39Å; W60-I87 HydrophobicContact CD2-CD1 4.27Å; W60-I87 HydrophobicContact CE3-CD1 4.33Å; W60-I87 HydrophobicContact CH2-CD1 3.87Å; W60-I87 HydrophobicContact CH2-CG1 4.45Å; W60-I87 HydrophobicContact CZ2-CD1 3.79Å; W60-I87 HydrophobicContact CZ2-CG1 3.91Å; W60-I87 HydrophobicContact CZ2-CG2 4.26Å; W60-I87 HydrophobicContact CZ3-CD1 4.12Å
61	M	87.2	Confident	80.4	Confident	40 Å²	40	70.4 Å²	70.4	20%	0.197	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-54.7	-35.1	170.3	-171.6	64.2	131	0	0	112.4	V45 K52 A55 E56 G59 Y63 L64 F65	V45-M61 HydrophobicContact CG1-CE 4.04Å; V45-M61 HydrophobicContact CG1-SD 4.01Å; K52-M61 HydrophobicContact CG-CE 4.09Å; A55-M61 HydrophobicContact CB-CB 3.84Å; A55-M61 HydrophobicContact CB-CG 4.41Å; A55-M61 HydrophobicContact CB-SD 3.91Å; A55-M61 WeakPolarHBondContact O-CB 3.37Å; A55-M61 PolarHBondContact O-N 3.03Å; E56-M61 HydrophobicContact CG-CB 4.5Å; E56-M61 HydrophobicContact CG-CE 4.14Å; E56-M61 HydrophobicContact CG-CG 4.35Å; G59-M61 VanDerWaalsContact C-N 3.32Å; M61-Y63 PolarHBondContact O-N 3.05Å; M61-Y63 VanDerWaalsContact O-N 3.13Å; M61-L64 PolarHBondContact O-N 3.33Å; M61-F65 HydrophobicContact CE-CE2 4.47Å; M61-F65 HydrophobicContact SD-CD2 4.43Å; M61-F65 HydrophobicContact SD-CE2 3.89Å
62	H	84.9	Confident	78.6	Confident	142 Å²	142	77.1 Å²	77.1	66%	0.657	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-62.1	-21.6	-178.2	-47.1	-47.4	0	0	0	113.7	G59 W60 V66	G59-H62 PolarHBondContact O-CD2 3.11Å; W60-H62 PolarHBondContact O-N 2.87Å; H62-V66 WeakPolarHBondContact O-CG2 3.27Å
63	Y	85	Confident	77.2	Confident	145 Å²	145	75.4 Å²	75.4	57%	0.569	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-94.2	-4.5	178.8	-54.3	-71.6	0	0	0	113.2	W60 M61 Y80	W60-Y63 HydrophobicContact CB-CD2 4.31Å; W60-Y63 PolarHBondContact O-N 3.35Å; M61-Y63 PolarHBondContact O-N 3.05Å; M61-Y63 VanDerWaalsContact O-N 3.13Å; Y63-Y80 PolarHBondContact O-OH 3.47Å
64	L	86.8	Confident	75.9	Confident	7 Å²	7	79.4 Å²	79.4	4%	0.037	39%	0.391	C	S	.	.	S	Bend	trans	-98.1	153.8	179.4	-58.8	-178.4	0	0	0	110.3	I41 E42 V45 W60 M61 V66 Y80	I41-L64 HydrophobicContact CB-CD2 4.43Å; I41-L64 HydrophobicContact CG2-CD1 3.78Å; I41-L64 HydrophobicContact CG2-CD2 3.91Å; E42-L64 HydrophobicContact CG-CB 4.17Å; E42-L64 HydrophobicContact CG-CD2 4.09Å; V45-L64 HydrophobicContact CG2-CD1 3.78Å; W60-L64 HydrophobicContact CE3-CD1 3.74Å; W60-L64 HydrophobicContact CE3-CG 4.49Å; W60-L64 HydrophobicContact CZ3-CD1 3.65Å; M61-L64 PolarHBondContact O-N 3.33Å; L64-V66 PolarHBondContact O-N 2.85Å; L64-Y80 HydrophobicContact CD2-CD1 4.46Å; L64-Y80 HydrophobicContact CD2-CE1 3.95Å
65	F	88.1	Confident	75	Confident	80 Å²	80	86.1 Å²	86.1	35%	0.351	42%	0.423	S	S	.	.	S	Bend	trans	63	0.7	177.5	-42.5	-65.4	0	0	0	116.4	E42 V45 R46 M61 K67	E42-F65 HydrophobicContact CB-CD1 4.28Å; E42-F65 HydrophobicContact CB-CE1 3.63Å; E42-F65 HydrophobicContact CB-CZ 4.24Å; E42-F65 HydrophobicContact CG-CD1 3.84Å; E42-F65 HydrophobicContact CG-CE1 3.62Å; E42-F65 HydrophobicContact CG-CZ 4.2Å; E42-F65 WeakPolarHBondContact OE1-CA 3.34Å; E42-F65 PolarHBondContact OE1-N 3.33Å; V45-F65 HydrophobicContact CB-CZ 4.27Å; V45-F65 HydrophobicContact CG1-CE2 4Å; V45-F65 HydrophobicContact CG1-CZ 3.87Å; R46-F65 HydrophobicContact CG-CE1 4.19Å; R46-F65 HydrophobicContact CG-CZ 4.26Å; R46-F65 VanDerWaalsContact CZ-CE1 3.46Å; R46-F65 VanDerWaalsContact NH2-CD1 3.3Å; R46-F65 VanDerWaalsContact NH2-CE1 3.3Å; M61-F65 HydrophobicContact CE-CE2 4.47Å; M61-F65 HydrophobicContact SD-CD2 4.43Å; M61-F65 HydrophobicContact SD-CE2 3.89Å; F65-K67 PolarHBondContact O-N 3.35Å
66	V	83.1	Confident	74.5	Confident	69 Å²	69	88.4 Å²	88.4	42%	0.418	43%	0.434	S	S	.	.			trans	-69.1	127.5	171.5	-175.5	0	0	0	0	109.9	K38 H62 L64	K38-V66 PolarHBondContact NZ-O 2.96Å; H62-V66 WeakPolarHBondContact O-CG2 3.27Å; L64-V66 PolarHBondContact O-N 2.85Å
67	K	72.3	Confident	74.2	Confident	205 Å²	205	85 Å²	85	89%	0.891	42%	0.418	S	S	*	.			trans	-94.2	3.9	-179.5	-67.4	-175.5	179.9	177	0	114.4	F65	F65-K67 PolarHBondContact O-N 3.35Å
68	S	58.9	Low	74.2	Confident	54 Å²	54	84 Å²	84	38%	0.378	42%	0.424	S	S	.	.			trans	-56.9	142.3	-174.2	177.8	0	0	0	0	112.7	S70 S71	S68-S70 WeakPolarHBondContact CB-OG 3.36Å; S68-S70 PolarHBondContact O-N 2.92Å; S68-S70 VanDerWaalsContact O-N 3.13Å; S68-S70 PolarHBondContact OG-N 3.13Å; S68-S70 PolarHBondContact OG-OG 3.21Å; S68-S71 VanDerWaalsContact O-CB 3.23Å; S68-S71 WeakPolarHBondContact O-CB 3.33Å; S68-S71 PolarHBondContact O-N 3.22Å; S68-S71 PolarHBondContact O-OG 3.08Å
69	K	53.7	Low	74.3	Confident	197 Å²	197	83.8 Å²	83.8	86%	0.857	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-56.8	-24.3	172.5	-72.1	-176.1	177.5	179.8	0	113	S71 Q72	K69-S71 PolarHBondContact O-N 3.14Å; K69-Q72 PolarHBondContact O-N 3.18Å
70	S	51.9	Low	74.5	Confident	86 Å²	86	83.3 Å²	83.3	60%	0.601	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-66.8	-17.8	172.9	58.3	0	0	0	0	113.9	S68 Q72 N73	S68-S70 WeakPolarHBondContact CB-OG 3.36Å; S68-S70 PolarHBondContact O-N 2.92Å; S68-S70 VanDerWaalsContact O-N 3.13Å; S68-S70 PolarHBondContact OG-N 3.13Å; S68-S70 PolarHBondContact OG-OG 3.21Å; S70-Q72 PolarHBondContact O-N 3.12Å; S70-N73 PolarHBondContact O-N 2.76Å
71	S	52.5	Low	74.6	Confident	24 Å²	24	87.5 Å²	87.5	17%	0.168	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-73.6	-5	179	68.6	0	0	0	0	114.4	M35 S68 K69	M35-S71 VanDerWaalsContact CE-O 3.32Å; M35-S71 WeakPolarHBondContact CE-O 3.35Å; S68-S71 VanDerWaalsContact O-CB 3.23Å; S68-S71 WeakPolarHBondContact O-CB 3.33Å; S68-S71 PolarHBondContact O-N 3.22Å; S68-S71 PolarHBondContact O-OG 3.08Å; K69-S71 PolarHBondContact O-N 3.14Å
72	Q	53.6	Low	74.8	Confident	152 Å²	152	88.1 Å²	88.1	71%	0.71	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-94.5	8.8	174.2	-66.2	-172.3	-21.7	0	0	113.3	K69 S70 P74	K69-Q72 PolarHBondContact O-N 3.18Å; S70-Q72 PolarHBondContact O-N 3.12Å; Q72-P74 WeakPolarHBondContact O-CD 3.41Å
73	N	61.1	Low	74.9	Confident	64 Å²	64	83 Å²	83	34%	0.342	42%	0.423	S	S	.	.			trans	-67.2	125.4	173.3	179.9	-6.7	0	0	0	109.8	S70 Q75 M76	S70-N73 PolarHBondContact O-N 2.76Å; N73-Q75 PolarHBondContact ND2-OE1 2.63Å; N73-Q75 PolarHBondContact O-N 2.87Å; N73-Q75 VanDerWaalsContact O-N 3.07Å; N73-Q75 WeakPolarHBondContact OD1-CB 3.49Å; N73-Q75 PolarHBondContact OD1-N 3.33Å; N73-M76 HydrophobicContact CB-CG 4.07Å; N73-M76 WeakPolarHBondContact O-CA 3.32Å; N73-M76 VanDerWaalsContact O-CB 3.29Å; N73-M76 WeakPolarHBondContact O-CB 3.29Å; N73-M76 PolarHBondContact O-N 3.48Å
74	P	60.9	Low	75.2	Confident	95 Å²	95	77.2 Å²	77.2	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-52.4	-29	175.2	-28.1	35.3	0	0	0	114.4	Q72 M76 H77 A78	Q72-P74 WeakPolarHBondContact O-CD 3.41Å; P74-M76 VanDerWaalsContact C-N 3.28Å; P74-M76 PolarHBondContact O-N 2.73Å; P74-H77 WeakPolarHBondContact O-CB 3.38Å; P74-H77 PolarHBondContact O-N 2.69Å; P74-A78 PolarHBondContact O-N 3.35Å
75	Q	70.5	Confident	75.2	Confident	141 Å²	141	80.4 Å²	80.4	66%	0.659	42%	0.421	S	S	*	.	H	α-helix	trans	-63.2	-34.5	174.1	-65.7	174.6	-17.1	0	0	112.2	N73 H77 A78 L79	N73-Q75 PolarHBondContact ND2-OE1 2.63Å; N73-Q75 PolarHBondContact O-N 2.87Å; N73-Q75 VanDerWaalsContact O-N 3.07Å; N73-Q75 WeakPolarHBondContact OD1-CB 3.49Å; N73-Q75 PolarHBondContact OD1-N 3.33Å; Q75-H77 VanDerWaalsContact C-N 3.34Å; Q75-A78 PolarHBondContact O-N 3.29Å; Q75-L79 WeakPolarHBondContact O-CG 3.26Å; Q75-L79 PolarHBondContact O-N 2.81Å
76	M	77.8	Confident	75	Confident	47 Å²	47	82 Å²	82	23%	0.232	43%	0.43	C	S	.	.	H	α-helix	trans	-66.9	-37.5	176.3	-65.9	-61.6	-59.7	0	0	111.2	M35 N73 P74 A78 L79 Y80	M35-M76 HydrophobicContact CE-CB 3.93Å; N73-M76 HydrophobicContact CB-CG 4.07Å; N73-M76 WeakPolarHBondContact O-CA 3.32Å; N73-M76 VanDerWaalsContact O-CB 3.29Å; N73-M76 WeakPolarHBondContact O-CB 3.29Å; N73-M76 PolarHBondContact O-N 3.48Å; P74-M76 VanDerWaalsContact C-N 3.28Å; P74-M76 PolarHBondContact O-N 2.73Å; M76-A78 VanDerWaalsContact C-N 3.33Å; M76-A78 PolarHBondContact O-N 3.3Å; M76-L79 WeakPolarHBondContact O-CB 3.36Å; M76-L79 PolarHBondContact O-N 3.1Å; M76-L79 HydrophobicContact SD-CD1 3.91Å; M76-Y80 HydrophobicContact CB-CE2 4.15Å; M76-Y80 HydrophobicContact CE-CE2 3.99Å; M76-Y80 WeakPolarHBondContact O-CD2 3.28Å; M76-Y80 PolarHBondContact O-N 3.28Å; M76-Y80 VanDerWaalsContact O-N 3.1Å
77	H	83.5	Confident	75.1	Confident	13 Å²	13	79 Å²	79	6%	0.06	41%	0.411	C	S	.	.	H	α-helix	trans	-58.8	-46.2	175.3	-179.2	81.4	0	0	0	111.7	E21 V31 A32 M35 W37 P74 Q75 L79 Y80 R81	E21-H77 IonicContact OE1-NE2 2.69Å; V31-H77 PolarHBondContact O-CE1 2.87Å; A32-H77 VanDerWaalsContact CA-CE1 3.48Å; A32-H77 WeakPolarHBondContact CA-CE1 3.13Å; M35-H77 HydrophobicContact CE-CB 4.49Å; M35-H77 HydrophobicContact SD-CB 3.74Å; W37-H77 AromaticContact CD1-CE1 3.45Å; W37-H77 VanDerWaalsContact CD1-CE1 3.45Å; W37-H77 AromaticContact CD1-NE2 3.56Å; P74-H77 WeakPolarHBondContact O-CB 3.38Å; P74-H77 PolarHBondContact O-N 2.69Å; Q75-H77 VanDerWaalsContact C-N 3.34Å; H77-L79 VanDerWaalsContact C-N 3.29Å; H77-L79 PolarHBondContact O-N 3.39Å; H77-Y80 PolarHBondContact O-N 2.79Å; H77-R81 WeakPolarHBondContact O-CB 3.32Å; H77-R81 PolarHBondContact O-N 3.41Å
78	A	87.2	Confident	75.6	Confident	56 Å²	56	71.8 Å²	71.8	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-59.4	-40.6	178.3	0	0	0	0	0	111.8	P74 Q75 M76 R81 S82	P74-A78 PolarHBondContact O-N 3.35Å; Q75-A78 PolarHBondContact O-N 3.29Å; M76-A78 VanDerWaalsContact C-N 3.33Å; M76-A78 PolarHBondContact O-N 3.3Å; A78-R81 PolarHBondContact O-N 3.07Å; A78-S82 PolarHBondContact O-N 3.09Å; A78-S82 PolarHBondContact O-OG 3.29Å
79	L	87.8	Confident	76.5	Confident	100 Å²	100	74.3 Å²	74.3	52%	0.524	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-46.2	175.4	-69.5	169.9	0	0	0	112.5	Q75 M76 H77 R81 S82 L83	Q75-L79 WeakPolarHBondContact O-CG 3.26Å; Q75-L79 PolarHBondContact O-N 2.81Å; M76-L79 WeakPolarHBondContact O-CB 3.36Å; M76-L79 PolarHBondContact O-N 3.1Å; M76-L79 HydrophobicContact SD-CD1 3.91Å; H77-L79 VanDerWaalsContact C-N 3.29Å; H77-L79 PolarHBondContact O-N 3.39Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 2.89Å; L79-S82 PolarHBondContact O-N 2.77Å; L79-S82 PolarHBondContact O-OG 2.98Å; L79-L83 WeakPolarHBondContact O-CB 3.36Å; L79-L83 PolarHBondContact O-N 3.28Å
80	Y	90	Very high	77.5	Confident	11 Å²	11	66 Å²	66	4%	0.043	36%	0.355	C	S	.	.	H	α-helix	trans	-68	-32.5	177.5	-64.6	-67.9	0	0	0	112.5	M35 K38 I41 Y63 L64 M76 H77 Y84	M35-Y80 HydrophobicContact CE-CD2 3.54Å; M35-Y80 HydrophobicContact CE-CE2 3.49Å; M35-Y80 VanDerWaalsContact CE-CE2 3.49Å; K38-Y80 HydrophobicContact CB-CD1 4.17Å; K38-Y80 HydrophobicContact CB-CD2 3.66Å; K38-Y80 HydrophobicContact CB-CE1 4.37Å; K38-Y80 HydrophobicContact CB-CE2 3.92Å; K38-Y80 HydrophobicContact CB-CG 3.81Å; K38-Y80 HydrophobicContact CD-CD2 4.3Å; K38-Y80 HydrophobicContact CD-CE1 4.4Å; K38-Y80 HydrophobicContact CD-CE2 3.66Å; K38-Y80 WeakPolarHBondContact CE-OH 3.28Å; K38-Y80 HydrophobicContact CG-CD1 4.29Å; K38-Y80 HydrophobicContact CG-CD2 4.18Å; K38-Y80 HydrophobicContact CG-CE1 4.02Å; K38-Y80 HydrophobicContact CG-CE2 3.92Å; K38-Y80 HydrophobicContact CG-CG 4.37Å; I41-Y80 HydrophobicContact CD1-CD1 4.17Å; Y63-Y80 PolarHBondContact O-OH 3.47Å; L64-Y80 HydrophobicContact CD2-CD1 4.46Å; L64-Y80 HydrophobicContact CD2-CE1 3.95Å; M76-Y80 HydrophobicContact CB-CE2 4.15Å; M76-Y80 HydrophobicContact CE-CE2 3.99Å; M76-Y80 WeakPolarHBondContact O-CD2 3.28Å; M76-Y80 PolarHBondContact O-N 3.28Å; M76-Y80 VanDerWaalsContact O-N 3.1Å; H77-Y80 PolarHBondContact O-N 2.79Å; Y80-Y84 PolarHBondContact O-N 3.1Å; Y80-Y84 VanDerWaalsContact O-N 3.14Å
81	R	90.8	Very high	78.3	Confident	110 Å²	110	62.7 Å²	62.7	42%	0.415	33%	0.331	S	S	.	.	H	α-helix	trans	-66.9	-38.2	174.9	-176.7	179.6	-177.4	-70	-3.7	111.9	E21 W37 H77 A78 L79 P85	E21-R81 IonicContact OE1-NE 3.21Å; E21-R81 PolarHBondContact OE1-NE 2.94Å; E21-R81 IonicContact OE2-CZ 2.69Å; E21-R81 IonicContact OE2-NE 3.48Å; E21-R81 PolarHBondContact OE2-NE 3.42Å; E21-R81 IonicContact OE2-NH2 3.77Å; E21-R81 PolarHBondContact OE2-NH2 2.86Å; W37-R81 HydrophobicContact CB-CB 4.48Å; W37-R81 HydrophobicContact CD2-CB 4.4Å; W37-R81 HydrophobicContact CD2-CG 4.31Å; W37-R81 HydrophobicContact CG-CB 3.93Å; W37-R81 HydrophobicContact CG-CG 4.27Å; W37-R81 HydrophobicContact CZ2-CG 4.45Å; H77-R81 WeakPolarHBondContact O-CB 3.32Å; H77-R81 PolarHBondContact O-N 3.41Å; A78-R81 PolarHBondContact O-N 3.07Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 2.89Å; R81-P85 WeakPolarHBondContact O-CD 3.39Å
82	S	89.7	Confident	78.6	Confident	52 Å²	52	62.3 Å²	62.3	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-77.2	-34.1	175	64.2	0	0	0	0	112.6	A78 L79 Y84 P85	A78-S82 PolarHBondContact O-N 3.09Å; A78-S82 PolarHBondContact O-OG 3.29Å; L79-S82 PolarHBondContact O-N 2.77Å; L79-S82 PolarHBondContact O-OG 2.98Å; S82-Y84 PolarHBondContact O-N 2.96Å; S82-P85 WeakPolarHBondContact O-CD 3.44Å; S82-P85 WeakPolarHBondContact O-CG 3.45Å
83	L	87.9	Confident	78.3	Confident	34 Å²	34	57.7 Å²	57.7	18%	0.178	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-35.8	178.1	-179.9	63.9	0	0	0	112.5	I41 W60 L79 E86 I87	I41-L83 HydrophobicContact CD1-CD2 4.3Å; W60-L83 HydrophobicContact CB-CD2 4.39Å; L79-L83 WeakPolarHBondContact O-CB 3.36Å; L79-L83 PolarHBondContact O-N 3.28Å; L83-E86 WeakPolarHBondContact O-CB 3.48Å; L83-E86 PolarHBondContact O-N 3.47Å; L83-I87 HydrophobicContact CD1-CD1 4.17Å; L83-I87 HydrophobicContact CD1-CG1 4.04Å; L83-I87 HydrophobicContact CD2-CD1 4.05Å; L83-I87 HydrophobicContact CG-CD1 3.66Å; L83-I87 HydrophobicContact CG-CG1 4.03Å; L83-I87 WeakPolarHBondContact O-CG1 3.2Å; L83-I87 PolarHBondContact O-N 3.27Å
84	Y	90.3	Very high	76.9	Confident	25 Å²	25	62.4 Å²	62.4	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-56	-52.5	-178.3	-169.6	-81.7	0	0	0	113.8	A14 W37 L40 I41 W51 Y80 S82 E86 I87 V88	A14-Y84 HydrophobicContact CB-CD1 4.17Å; A14-Y84 HydrophobicContact CB-CE1 3.32Å; A14-Y84 HydrophobicContact CB-CE2 4.35Å; A14-Y84 VanDerWaalsContact CB-CZ 3.45Å; A14-Y84 WeakPolarHBondContact CB-OH 3.41Å; W37-Y84 HydrophobicContact CE3-CD1 4.36Å; W37-Y84 AromaticContact CE3-CD2 3.96Å; W37-Y84 HydrophobicContact CE3-CD2 3.96Å; W37-Y84 AromaticContact CE3-CG 3.76Å; W37-Y84 HydrophobicContact CE3-CG 3.76Å; W37-Y84 AromaticContact CZ3-CD1 3.68Å; W37-Y84 HydrophobicContact CZ3-CD1 3.68Å; W37-Y84 AromaticContact CZ3-CD2 3.99Å; W37-Y84 HydrophobicContact CZ3-CD2 3.99Å; W37-Y84 HydrophobicContact CZ3-CE1 4.25Å; W37-Y84 AromaticContact CZ3-CG 3.55Å; W37-Y84 HydrophobicContact CZ3-CG 3.55Å; L40-Y84 HydrophobicContact CD2-CD2 3.98Å; L40-Y84 HydrophobicContact CD2-CE2 3.54Å; L40-Y84 HydrophobicContact CG-CD2 4.3Å; L40-Y84 HydrophobicContact CG-CE2 3.74Å; I41-Y84 HydrophobicContact CD1-CD2 4.48Å; I41-Y84 HydrophobicContact CG1-CD2 3.77Å; W51-Y84 AromaticContact CH2-CD2 3.86Å; W51-Y84 HydrophobicContact CH2-CD2 3.86Å; W51-Y84 AromaticContact CH2-CE2 3.4Å; W51-Y84 HydrophobicContact CH2-CE2 3.4Å; W51-Y84 VanDerWaalsContact CH2-CE2 3.4Å; W51-Y84 AromaticContact CH2-CZ 3.77Å; W51-Y84 HydrophobicContact CZ2-CE2 4.24Å; W51-Y84 HydrophobicContact CZ3-CD2 4.27Å; W51-Y84 HydrophobicContact CZ3-CE2 4.06Å; Y80-Y84 PolarHBondContact O-N 3.1Å; Y80-Y84 VanDerWaalsContact O-N 3.14Å; S82-Y84 PolarHBondContact O-N 2.96Å; Y84-E86 VanDerWaalsContact C-N 3.32Å; Y84-E86 PolarHBondContact O-N 2.87Å; Y84-I87 PolarHBondContact O-N 3.36Å; Y84-V88 HydrophobicContact CD1-CG2 3.87Å; Y84-V88 HydrophobicContact CE1-CG2 3.44Å; Y84-V88 VanDerWaalsContact CE1-CG2 3.44Å; Y84-V88 WeakPolarHBondContact O-CG2 3.31Å; Y84-V88 PolarHBondContact O-N 2.94Å
85	P	87.4	Confident	75.7	Confident	73 Å²	73	67.4 Å²	67.4	47%	0.474	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-35.3	176.3	23.3	-32.8	0	0	0	113	R81 S82 V88 E89	R81-P85 WeakPolarHBondContact O-CD 3.39Å; S82-P85 WeakPolarHBondContact O-CD 3.44Å; S82-P85 WeakPolarHBondContact O-CG 3.45Å; P85-V88 PolarHBondContact O-N 3.35Å; P85-E89 WeakPolarHBondContact O-CB 3.38Å; P85-E89 PolarHBondContact O-N 3.05Å
86	E	85.2	Confident	73.9	Confident	115 Å²	115	67.2 Å²	67.2	54%	0.537	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-44.3	174.7	-65.9	173	-161.6	0	0	111.7	L83 Y84 V88 E89 D90	L83-E86 WeakPolarHBondContact O-CB 3.48Å; L83-E86 PolarHBondContact O-N 3.47Å; Y84-E86 VanDerWaalsContact C-N 3.32Å; Y84-E86 PolarHBondContact O-N 2.87Å; E86-V88 VanDerWaalsContact C-N 3.34Å; E86-V88 PolarHBondContact O-N 3.27Å; E86-E89 WeakPolarHBondContact O-CB 3.45Å; E86-E89 PolarHBondContact O-N 3.06Å; E86-D90 PolarHBondContact O-N 3.19Å; E86-D90 VanDerWaalsContact O-N 3.09Å
87	I	84.7	Confident	71.8	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-43.9	175	-66.6	168	0	0	0	110.7	I41 W51 L54 W60 L83 Y84 E89 D90 I91	I41-I87 HydrophobicContact CD1-CD1 4.4Å; I41-I87 HydrophobicContact CG2-CD1 4.25Å; W51-I87 HydrophobicContact CD2-CG2 4.09Å; W51-I87 HydrophobicContact CE3-CD1 4.48Å; W51-I87 HydrophobicContact CE3-CG2 3.74Å; W51-I87 HydrophobicContact CH2-CB 4.21Å; W51-I87 HydrophobicContact CH2-CG2 3.61Å; W51-I87 HydrophobicContact CZ2-CG2 3.99Å; W51-I87 HydrophobicContact CZ3-CB 4.16Å; W51-I87 HydrophobicContact CZ3-CD1 3.94Å; W51-I87 HydrophobicContact CZ3-CG2 3.49Å; W51-I87 VanDerWaalsContact CZ3-CG2 3.49Å; L54-I87 HydrophobicContact CD2-CG2 4.18Å; W60-I87 HydrophobicContact CD2-CD1 4.27Å; W60-I87 HydrophobicContact CE3-CD1 4.33Å; W60-I87 HydrophobicContact CH2-CD1 3.87Å; W60-I87 HydrophobicContact CH2-CG1 4.45Å; W60-I87 HydrophobicContact CZ2-CD1 3.79Å; W60-I87 HydrophobicContact CZ2-CG1 3.91Å; W60-I87 HydrophobicContact CZ2-CG2 4.26Å; W60-I87 HydrophobicContact CZ3-CD1 4.12Å; L83-I87 HydrophobicContact CD1-CD1 4.17Å; L83-I87 HydrophobicContact CD1-CG1 4.04Å; L83-I87 HydrophobicContact CD2-CD1 4.05Å; L83-I87 HydrophobicContact CG-CD1 3.66Å; L83-I87 HydrophobicContact CG-CG1 4.03Å; L83-I87 WeakPolarHBondContact O-CG1 3.2Å; L83-I87 PolarHBondContact O-N 3.27Å; Y84-I87 PolarHBondContact O-N 3.36Å; I87-E89 VanDerWaalsContact C-N 3.28Å; I87-E89 PolarHBondContact O-N 3.43Å; I87-D90 PolarHBondContact O-N 3.32Å; I87-I91 HydrophobicContact CG2-CD1 3.63Å; I87-I91 HydrophobicContact CG2-CG1 4.38Å; I87-I91 WeakPolarHBondContact O-CB 3.37Å; I87-I91 WeakPolarHBondContact O-CG1 3.13Å; I87-I91 PolarHBondContact O-N 2.9Å
88	V	83.2	Confident	69.2	Low	54 Å²	54	74.4 Å²	74.4	33%	0.327	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-37.3	178.9	171.3	0	0	0	0	111.2	W51 Y84 P85 E86 I91 A92	W51-V88 HydrophobicContact CH2-CG2 4.34Å; W51-V88 HydrophobicContact CZ2-CG2 4.24Å; Y84-V88 HydrophobicContact CD1-CG2 3.87Å; Y84-V88 HydrophobicContact CE1-CG2 3.44Å; Y84-V88 VanDerWaalsContact CE1-CG2 3.44Å; Y84-V88 WeakPolarHBondContact O-CG2 3.31Å; Y84-V88 PolarHBondContact O-N 2.94Å; P85-V88 PolarHBondContact O-N 3.35Å; E86-V88 VanDerWaalsContact C-N 3.34Å; E86-V88 PolarHBondContact O-N 3.27Å; V88-I91 PolarHBondContact O-N 3.27Å; V88-A92 HydrophobicContact CG1-CB 4.37Å; V88-A92 WeakPolarHBondContact O-CB 3.43Å; V88-A92 PolarHBondContact O-N 3.03Å
89	E	77.4	Confident	66.4	Low	108 Å²	108	79 Å²	79	51%	0.505	41%	0.414	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.9	-172.6	171.3	-172.6	0	0	112.2	P85 E86 I87 I91 V109	P85-E89 WeakPolarHBondContact O-CB 3.38Å; P85-E89 PolarHBondContact O-N 3.05Å; E86-E89 WeakPolarHBondContact O-CB 3.45Å; E86-E89 PolarHBondContact O-N 3.06Å; I87-E89 VanDerWaalsContact C-N 3.28Å; I87-E89 PolarHBondContact O-N 3.43Å; E89-I91 VanDerWaalsContact C-N 3.33Å; E89-I91 PolarHBondContact O-N 3.07Å; E89-V109 PolarHBondContact O-N 3.37Å
90	D	73.7	Confident	63.7	Low	22 Å²	22	81.9 Å²	81.9	12%	0.118	43%	0.43	C	S	.	.	H	α-helix	trans	-63	-40.2	175.1	-147.8	-1.9	0	0	0	111	L54 R58 E86 I87 I110	L54-D90 WeakPolarHBondContact CD1-OD2 3.44Å; L54-D90 HydrophobicContact CD2-CB 3.92Å; R58-D90 IonicContact CZ-OD2 3.42Å; R58-D90 IonicContact NE-OD2 2.91Å; R58-D90 PolarHBondContact NE-OD2 3.26Å; R58-D90 IonicContact NH2-OD1 3.4Å; R58-D90 PolarHBondContact NH2-OD1 3.13Å; R58-D90 VanDerWaalsContact NH2-OD1 3.1Å; R58-D90 IonicContact NH2-OD2 3.63Å; R58-D90 PolarHBondContact NH2-OD2 3.14Å; E86-D90 PolarHBondContact O-N 3.19Å; E86-D90 VanDerWaalsContact O-N 3.09Å; I87-D90 PolarHBondContact O-N 3.32Å; D90-I110 WeakPolarHBondContact O-CB 3.48Å; D90-I110 WeakPolarHBondContact O-CD1 3.2Å; D90-I110 VanDerWaalsContact O-CG1 3.23Å; D90-I110 WeakPolarHBondContact O-CG1 3.22Å; D90-I110 PolarHBondContact O-N 2.65Å
91	I	69.1	Low	60.8	Low	17 Å²	17	88.6 Å²	88.6	9%	0.087	47%	0.466	C	S	.	.	H	α-helix	trans	-83.4	-41.5	-170.8	-75.3	177.8	0	0	0	115.5	L50 W51 L54 I87 V88 E89 E111	L50-I91 HydrophobicContact CD2-CB 4.04Å; L50-I91 HydrophobicContact CD2-CD1 4.14Å; L50-I91 HydrophobicContact CD2-CG1 3.83Å; L50-I91 HydrophobicContact CD2-CG2 3.39Å; L50-I91 HydrophobicContact CG-CD1 4.09Å; L50-I91 HydrophobicContact CG-CG1 4.01Å; L50-I91 HydrophobicContact CG-CG2 4.43Å; W51-I91 HydrophobicContact CD2-CD1 3.96Å; W51-I91 HydrophobicContact CG-CD1 3.91Å; W51-I91 HydrophobicContact CZ2-CD1 4.32Å; L54-I91 HydrophobicContact CD2-CD1 3.92Å; L54-I91 HydrophobicContact CD2-CG1 3.66Å; I87-I91 HydrophobicContact CG2-CD1 3.63Å; I87-I91 HydrophobicContact CG2-CG1 4.38Å; I87-I91 WeakPolarHBondContact O-CB 3.37Å; I87-I91 WeakPolarHBondContact O-CG1 3.13Å; I87-I91 PolarHBondContact O-N 2.9Å; V88-I91 PolarHBondContact O-N 3.27Å; E89-I91 VanDerWaalsContact C-N 3.33Å; E89-I91 PolarHBondContact O-N 3.07Å; I91-E111 WeakPolarHBondContact O-CG 3.5Å
92	A	58.4	Low	57.8	Low	15 Å²	15	91 Å²	91	12%	0.124	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-61	142.7	-140.3	0	0	0	0	0	117.5	V88 K108 E111	V88-A92 HydrophobicContact CG1-CB 4.37Å; V88-A92 WeakPolarHBondContact O-CB 3.43Å; V88-A92 PolarHBondContact O-N 3.03Å; A92-K108 HydrophobicContact CB-CB 3.96Å; A92-K108 HydrophobicContact CB-CD 3.41Å; A92-K108 VanDerWaalsContact CB-CD 3.41Å; A92-K108 HydrophobicContact CB-CG 3.63Å; A92-K108 WeakPolarHBondContact O-CB 3.07Å; A92-K108 VanDerWaalsContact O-CD 3.24Å; A92-K108 WeakPolarHBondContact O-CD 3.46Å; A92-E111 WeakPolarHBondContact O-CB 3.38Å; A92-E111 WeakPolarHBondContact O-CG 3.39Å
93	V	47.7	Very low	54.9	Low	55 Å²	55	96.8 Å²	96.8	33%	0.333	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-102.1	149.7	167	-177.1	0	0	0	0	108.8	K108 E111	V93-K108 PolarHBondContact O-NZ 2.75Å; V93-E111 HydrophobicContact CB-CG 4.26Å; V93-E111 HydrophobicContact CG2-CG 3.41Å; V93-E111 VanDerWaalsContact CG2-CG 3.41Å
94	R	32.5	Very low	52.2	Low	163 Å²	163	99.1 Å²	99.1	62%	0.615	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-92.4	120.3	162.3	-94.9	-171.3	179.2	176.2	1.4	109.3
95	F	34.9	Very low	49.4	Very low	201 Å²	201	102.5 Å²	102.5	88%	0.882	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-73.2	126.5	153	-75.8	-81.4	0	0	0	108.1
96	H	33.3	Very low	46.9	Very low	137 Å²	137	104.3 Å²	104.3	63%	0.634	56%	0.56	S	S	*	*			trans	-97.7	113.4	169.3	-80	70.6	0	0	0	109
97	T	33	Very low	44.9	Very low	138 Å²	138	106 Å²	106	85%	0.847	57%	0.566	S	S	*	*			trans	-147.2	116.8	151.5	48.1	0	0	0	0	108.2
98	G	30	Very low	43.9	Very low	73 Å²	73	108.8 Å²	108.8	75%	0.753	58%	0.578	S	S	*	*	S	Bend	trans	61.1	109.2	149.9	0	0	0	0	0	119.5
99	N	27.7	Very low	43.5	Very low	153 Å²	153	108.6 Å²	108.6	82%	0.818	58%	0.577	S	S	*	*			trans	39.6	100.5	146.9	-61.9	-6.8	0	0	0	118
100	N	31.8	Very low	43.9	Very low	160 Å²	160	103.5 Å²	103.5	86%	0.856	55%	0.553	S	S	*	*				-175.4	148.1	112	-87.3	-24.4	0	0	0	110.8
101	L	29	Very low	44.4	Very low	152 Å²	152	103 Å²	103	80%	0.796	55%	0.55	S	S	*	*			trans	-55.9	162.3	-178.7	-75.6	101.2	0	0	0	113.3
102	E	26.8	Very low	45.2	Very low	159 Å²	159	104.2 Å²	104.2	74%	0.743	56%	0.557	S	S	*	*			trans	98.6	113.5	149.3	-79	167.1	-156.6	0	0	119.9
103	H	29.3	Very low	46.8	Very low	175 Å²	175	103.8 Å²	103.8	81%	0.81	55%	0.552	S	S	*	*			trans	70.6	96.4	149.2	-63.2	75.3	0	0	0	119.3
104	S	31.3	Very low	49	Very low	83 Å²	83	101.2 Å²	101.2	58%	0.58	54%	0.537	S	S	*	.			trans	163.2	103.1	131.2	-172.6	0	0	0	0	110.1	N106	S104-N106 VanDerWaalsContact C-N 3.26Å; S104-N106 PolarHBondContact O-N 2.82Å; S104-N106 VanDerWaalsContact OG-CG 3.25Å; S104-N106 PolarHBondContact OG-ND2 2.83Å; S104-N106 PolarHBondContact OG-OD1 3.3Å
105	A	31.3	Very low	51.9	Low	95 Å²	95	98.3 Å²	98.3	79%	0.785	53%	0.526	S	S	*	.			trans	-73.7	76.3	168.4	0	0	0	0	0	110.1
106	N	35.3	Very low	54.7	Low	112 Å²	112	92.1 Å²	92.1	60%	0.599	50%	0.502	S	S	*	.			trans	-97	109	169.7	-70.2	1.8	0	0	0	108.4	S104 K108	S104-N106 VanDerWaalsContact C-N 3.26Å; S104-N106 PolarHBondContact O-N 2.82Å; S104-N106 VanDerWaalsContact OG-CG 3.25Å; S104-N106 PolarHBondContact OG-ND2 2.83Å; S104-N106 PolarHBondContact OG-OD1 3.3Å; N106-K108 PolarHBondContact O-N 3.29Å
107	F	42	Very low	57.5	Low	149 Å²	149	86.1 Å²	86.1	65%	0.654	48%	0.477	S	S	*	.			trans	-66	111.2	174.4	-79.1	-90	0	0	0	109
108	K	63.5	Low	60.4	Low	63 Å²	63	84.1 Å²	84.1	27%	0.274	45%	0.454	S	S	.	.			trans	-89.7	111	178.8	-49.9	172.9	160	-168.4	0	108.2	A92 V93 N106 N112	A92-K108 HydrophobicContact CB-CB 3.96Å; A92-K108 HydrophobicContact CB-CD 3.41Å; A92-K108 VanDerWaalsContact CB-CD 3.41Å; A92-K108 HydrophobicContact CB-CG 3.63Å; A92-K108 WeakPolarHBondContact O-CB 3.07Å; A92-K108 VanDerWaalsContact O-CD 3.24Å; A92-K108 WeakPolarHBondContact O-CD 3.46Å; V93-K108 PolarHBondContact O-NZ 2.75Å; N106-K108 PolarHBondContact O-N 3.29Å; K108-N112 WeakPolarHBondContact O-CB 3.43Å; K108-N112 PolarHBondContact O-N 3.37Å
109	V	76.7	Confident	63.5	Low	51 Å²	51	82.5 Å²	82.5	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-72.1	-59.2	-155.2	-179.2	0	0	0	0	113.1	E89 N112 N113	E89-V109 PolarHBondContact O-N 3.37Å; V109-N112 PolarHBondContact O-N 3.03Å; V109-N113 WeakPolarHBondContact O-CB 3.46Å; V109-N113 PolarHBondContact O-N 3.21Å; V109-N113 PolarHBondContact O-ND2 2.76Å; V109-N113 PolarHBondContact O-OD1 3.43Å
110	I	84	Confident	66.8	Low	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-64.7	-49.5	-171.1	-62.6	165.2	0	0	0	111.4	L54 D90 N112 N113 W114 F394 L411	L54-I110 HydrophobicContact CD1-CD1 4.14Å; D90-I110 WeakPolarHBondContact O-CB 3.48Å; D90-I110 WeakPolarHBondContact O-CD1 3.2Å; D90-I110 VanDerWaalsContact O-CG1 3.23Å; D90-I110 WeakPolarHBondContact O-CG1 3.22Å; D90-I110 PolarHBondContact O-N 2.65Å; I110-N112 VanDerWaalsContact C-N 3.32Å; I110-N112 PolarHBondContact O-N 3.06Å; I110-N113 WeakPolarHBondContact O-CA 3.19Å; I110-N113 VanDerWaalsContact O-CB 3.3Å; I110-N113 WeakPolarHBondContact O-CB 3.45Å; I110-N113 PolarHBondContact O-N 3.35Å; I110-N113 VanDerWaalsContact O-N 3.08Å; I110-W114 VanDerWaalsContact O-CD1 3.24Å; I110-W114 PolarHBondContact O-N 2.88Å; I110-F394 HydrophobicContact CD1-CD1 4.34Å; I110-F394 HydrophobicContact CD1-CE1 4.27Å; I110-L411 HydrophobicContact CD1-CD1 3.44Å; I110-L411 VanDerWaalsContact CD1-CD1 3.44Å; I110-L411 HydrophobicContact CG1-CD1 3.76Å
111	E	84.4	Confident	69.9	Low	12 Å²	12	72.5 Å²	72.5	6%	0.056	37%	0.374	C	S	.	.	H	α-helix	trans	-65.3	-35.6	-178.8	-73	-68.8	149.5	0	0	113.1	I91 A92 V93 N113 W114 R115 K345 R346	I91-E111 WeakPolarHBondContact O-CG 3.5Å; A92-E111 WeakPolarHBondContact O-CB 3.38Å; A92-E111 WeakPolarHBondContact O-CG 3.39Å; V93-E111 HydrophobicContact CB-CG 4.26Å; V93-E111 HydrophobicContact CG2-CG 3.41Å; V93-E111 VanDerWaalsContact CG2-CG 3.41Å; E111-N113 VanDerWaalsContact C-N 3.32Å; E111-W114 PolarHBondContact O-N 3Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 VanDerWaalsContact O-CG 3.3Å; E111-R115 WeakPolarHBondContact O-CG 3.29Å; E111-R115 PolarHBondContact O-N 3.43Å; E111-K345 IonicContact OE1-NZ 2.86Å; E111-R346 IonicContact OE1-CZ 3.97Å; E111-R346 IonicContact OE1-NH1 3.56Å; E111-R346 IonicContact OE1-NH2 2.84Å; E111-R346 PolarHBondContact OE1-NH2 3.24Å; E111-R346 IonicContact OE2-CZ 3.97Å; E111-R346 IonicContact OE2-NH2 3.45Å; E111-R346 PolarHBondContact OE2-NH2 3.21Å
112	N	87.1	Confident	73.2	Confident	43 Å²	43	69.8 Å²	69.8	23%	0.23	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-35.1	173.6	-170.9	53.5	0	0	0	111.2	K108 V109 I110 R115 L116	K108-N112 WeakPolarHBondContact O-CB 3.43Å; K108-N112 PolarHBondContact O-N 3.37Å; V109-N112 PolarHBondContact O-N 3.03Å; I110-N112 VanDerWaalsContact C-N 3.32Å; I110-N112 PolarHBondContact O-N 3.06Å; N112-R115 PolarHBondContact O-N 3.14Å; N112-L116 WeakPolarHBondContact ND2-CD1 3.46Å; N112-L116 VanDerWaalsContact O-CB 3.3Å; N112-L116 WeakPolarHBondContact O-CB 3.29Å; N112-L116 VanDerWaalsContact O-CG 3.31Å; N112-L116 WeakPolarHBondContact O-CG 3.34Å; N112-L116 PolarHBondContact O-N 2.83Å; N112-L116 WeakPolarHBondContact OD1-CD1 3.34Å
113	N	92.2	Very high	76.6	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.027	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-46.9	173.2	-72.2	-14.6	0	0	0	111.3	V109 I110 E111 R115 L116 G117 R118 F410	V109-N113 WeakPolarHBondContact O-CB 3.46Å; V109-N113 PolarHBondContact O-N 3.21Å; V109-N113 PolarHBondContact O-ND2 2.76Å; V109-N113 PolarHBondContact O-OD1 3.43Å; I110-N113 WeakPolarHBondContact O-CA 3.19Å; I110-N113 VanDerWaalsContact O-CB 3.3Å; I110-N113 WeakPolarHBondContact O-CB 3.45Å; I110-N113 PolarHBondContact O-N 3.35Å; I110-N113 VanDerWaalsContact O-N 3.08Å; E111-N113 VanDerWaalsContact C-N 3.32Å; N113-R115 PolarHBondContact O-N 3.04Å; N113-L116 PolarHBondContact O-N 2.94Å; N113-G117 CarbonylContact O-C 3.59Å; N113-G117 WeakPolarHBondContact O-CA 3.44Å; N113-G117 PolarHBondContact O-N 3.4Å; N113-R118 HydrophobicContact CB-CB 4.21Å; N113-R118 WeakPolarHBondContact CB-O 3.33Å; N113-R118 PolarHBondContact O-N 2.82Å; N113-F410 HydrophobicContact CB-CB 4.25Å; N113-F410 HydrophobicContact CB-CD1 4.37Å; N113-F410 WeakPolarHBondContact CB-O 3.28Å; N113-F410 PolarHBondContact ND2-O 3.42Å
114	W	93.7	Very high	79.8	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-57.6	-47.8	172.3	-80.8	98.3	0	0	0	112.6	I110 E111 G117 V348 I358 F391 D392 D393 I396 F410	I110-W114 VanDerWaalsContact O-CD1 3.24Å; I110-W114 PolarHBondContact O-N 2.88Å; E111-W114 PolarHBondContact O-N 3Å; W114-G117 PolarHBondContact O-N 3.36Å; W114-V348 HydrophobicContact CZ3-CG2 4.43Å; W114-I358 HydrophobicContact CE3-CD1 3.75Å; W114-I358 HydrophobicContact CE3-CG2 4.27Å; W114-I358 HydrophobicContact CZ3-CD1 3.91Å; W114-I358 HydrophobicContact CZ3-CG2 4.47Å; W114-F391 HydrophobicContact CH2-CD2 4.04Å; W114-D392 WeakPolarHBondContact CZ2-O 3.45Å; W114-D393 PolarHBondContact NE1-O 2.99Å; W114-I396 HydrophobicContact CH2-CD1 4.06Å; W114-I396 HydrophobicContact CH2-CG1 3.61Å; W114-I396 HydrophobicContact CZ3-CD1 3.81Å; W114-I396 HydrophobicContact CZ3-CG1 3.91Å; W114-F410 HydrophobicContact CD2-CB 4.44Å; W114-F410 HydrophobicContact CD2-CD1 4.19Å; W114-F410 AromaticContact CD2-CD2 3.84Å; W114-F410 HydrophobicContact CD2-CD2 3.84Å; W114-F410 HydrophobicContact CD2-CE1 4.43Å; W114-F410 HydrophobicContact CD2-CE2 4.12Å; W114-F410 AromaticContact CD2-CG 3.89Å; W114-F410 HydrophobicContact CD2-CG 3.89Å; W114-F410 HydrophobicContact CD2-CZ 4.4Å; W114-F410 AromaticContact CE2-CD2 3.51Å; W114-F410 AromaticContact CE2-CG 3.77Å; W114-F410 HydrophobicContact CE3-CD2 4.18Å; W114-F410 HydrophobicContact CE3-CE1 4.43Å; W114-F410 AromaticContact CE3-CE2 3.97Å; W114-F410 HydrophobicContact CE3-CE2 3.97Å; W114-F410 HydrophobicContact CE3-CZ 4.11Å; W114-F410 HydrophobicContact CG-CB 4.32Å; W114-F410 HydrophobicContact CG-CD1 4.18Å; W114-F410 HydrophobicContact CG-CG 4.08Å; W114-F410 AromaticContact CH2-CD2 3.9Å; W114-F410 HydrophobicContact CH2-CD2 3.9Å; W114-F410 AromaticContact CH2-CE2 3.79Å; W114-F410 HydrophobicContact CH2-CE2 3.79Å; W114-F410 AromaticContact CZ2-CD2 3.54Å; W114-F410 HydrophobicContact CZ2-CD2 3.54Å; W114-F410 AromaticContact CZ2-CE2 3.94Å; W114-F410 HydrophobicContact CZ2-CE2 3.94Å; W114-F410 HydrophobicContact CZ2-CG 4.27Å; W114-F410 HydrophobicContact CZ3-CD2 4.21Å; W114-F410 AromaticContact CZ3-CE2 3.81Å; W114-F410 HydrophobicContact CZ3-CE2 3.81Å; W114-F410 HydrophobicContact CZ3-CZ 4.23Å; W114-F410 AromaticContact NE1-CG 3.89Å
115	R	92.5	Very high	82.9	Confident	102 Å²	102	60.1 Å²	60.1	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-42.6	-178.8	-74.8	175.3	-178.6	-125.1	-5	113.3	E111 N112 N113 I376	E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 VanDerWaalsContact O-CG 3.3Å; E111-R115 WeakPolarHBondContact O-CG 3.29Å; E111-R115 PolarHBondContact O-N 3.43Å; N112-R115 PolarHBondContact O-N 3.14Å; N113-R115 PolarHBondContact O-N 3.04Å; R115-I376 HydrophobicContact CB-CG2 4.3Å; R115-I376 HydrophobicContact CG-CG2 4.2Å
116	L	92.9	Very high	86	Confident	72 Å²	72	55.8 Å²	55.8	38%	0.377	26%	0.262	S	S	.	.	H	α-helix	trans	-85.4	-13.7	-178.1	-62	179	0	0	0	112.6	N112 N113 R118 K377	N112-L116 WeakPolarHBondContact ND2-CD1 3.46Å; N112-L116 VanDerWaalsContact O-CB 3.3Å; N112-L116 WeakPolarHBondContact O-CB 3.29Å; N112-L116 VanDerWaalsContact O-CG 3.31Å; N112-L116 WeakPolarHBondContact O-CG 3.34Å; N112-L116 PolarHBondContact O-N 2.83Å; N112-L116 WeakPolarHBondContact OD1-CD1 3.34Å; N113-L116 PolarHBondContact O-N 2.94Å; L116-R118 HydrophobicContact CB-CG 3.99Å; L116-K377 VanDerWaalsContact O-CE 3.28Å; L116-K377 WeakPolarHBondContact O-CE 3.34Å; L116-K377 PolarHBondContact O-NZ 2.88Å
117	G	93.7	Very high	88.7	Confident	11 Å²	11	60 Å²	60	11%	0.113	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	26.8	-174	0	0	0	0	0	113.4	N113 W114 H119	N113-G117 CarbonylContact O-C 3.59Å; N113-G117 WeakPolarHBondContact O-CA 3.44Å; N113-G117 PolarHBondContact O-N 3.4Å; W114-G117 PolarHBondContact O-N 3.36Å; G117-H119 PolarHBondContact O-ND1 2.77Å
118	R	94	Very high	90.8	Very high	96 Å²	96	53.5 Å²	53.5	36%	0.362	24%	0.243	S	C	.	.			trans	-83.5	118.2	179.2	-64.3	171.5	177.9	-178.4	-0.6	109.5	N113 L116 F410 F413	N113-R118 HydrophobicContact CB-CB 4.21Å; N113-R118 WeakPolarHBondContact CB-O 3.33Å; N113-R118 PolarHBondContact O-N 2.82Å; L116-R118 HydrophobicContact CB-CG 3.99Å; R118-F410 VanDerWaalsContact O-CD1 3.29Å; R118-F410 WeakPolarHBondContact O-CD1 3.33Å; R118-F413 HydrophobicContact CB-CD1 3.73Å; R118-F413 HydrophobicContact CB-CD2 3.98Å; R118-F413 HydrophobicContact CB-CE1 3.75Å; R118-F413 HydrophobicContact CB-CE2 3.97Å; R118-F413 HydrophobicContact CB-CG 3.86Å; R118-F413 HydrophobicContact CB-CZ 3.86Å; R118-F413 HydrophobicContact CG-CD1 4.43Å; R118-F413 HydrophobicContact CG-CE1 3.98Å; R118-F413 HydrophobicContact CG-CZ 4.02Å
119	H	95.3	Very high	91.6	Very high	39 Å²	39	58.6 Å²	58.6	18%	0.181	27%	0.268	C	S	.	.			trans	-150.1	159.7	-175.4	59	-80.7	0	0	0	110.9	G117 W408 D409 F410	G117-H119 PolarHBondContact O-ND1 2.77Å; H119-W408 AromaticContact CD2-CE3 3.56Å; H119-W408 AromaticContact CE1-CE3 3.74Å; H119-W408 AromaticContact CE1-CZ3 3.79Å; H119-W408 AromaticContact NE2-CE3 3.28Å; H119-W408 VanDerWaalsContact NE2-CE3 3.28Å; H119-W408 AromaticContact NE2-CZ3 3.46Å; H119-W408 WeakPolarHBondContact NE2-CZ3 3.5Å; H119-D409 CarbonylContact C-O 3.52Å; H119-D409 WeakPolarHBondContact CA-O 3.23Å; H119-D409 WeakPolarHBondContact CB-O 3.49Å; H119-F410 HydrophobicContact CB-CD1 4.01Å; H119-F410 HydrophobicContact CB-CE1 3.94Å; H119-F410 HydrophobicContact CB-CG 4.43Å; H119-F410 HydrophobicContact CB-CZ 4.31Å
120	V	96.3	Very high	91.7	Very high	46 Å²	46	63 Å²	63	28%	0.279	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.2	162.2	-177	0	0	0	0	107.4	Y122 D409	V120-Y122 HydrophobicContact CB-CE2 4.21Å; V120-Y122 HydrophobicContact CG1-CD2 4.4Å; V120-Y122 HydrophobicContact CG1-CE1 4.34Å; V120-Y122 HydrophobicContact CG1-CE2 3.73Å; V120-D409 HydrophobicContact CB-CB 4.28Å; V120-D409 PolarHBondContact N-O 3Å; V120-D409 PolarHBondContact O-N 2.86Å
121	L	97.2	Very high	91.8	Very high	57 Å²	57	65.2 Å²	65.2	30%	0.298	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.2	-179.4	-168.2	73.5	0	0	0	110.1	E381 L406 I407 W408	L121-E381 HydrophobicContact CD1-CG 4.41Å; L121-E381 HydrophobicContact CD2-CB 4.08Å; L121-E381 HydrophobicContact CD2-CG 3.73Å; L121-L406 HydrophobicContact CD1-CB 4.19Å; L121-L406 HydrophobicContact CD1-CD1 4.43Å; L121-L406 HydrophobicContact CD1-CD2 4.43Å; L121-L406 HydrophobicContact CD2-CD2 4.43Å; L121-L406 HydrophobicContact CG-CD2 4.46Å; L121-I407 WeakPolarHBondContact CA-O 3.32Å; L121-W408 HydrophobicContact CD1-CD2 3.72Å; L121-W408 HydrophobicContact CD1-CE3 3.72Å; L121-W408 HydrophobicContact CD1-CG 4.22Å; L121-W408 HydrophobicContact CD1-CH2 4.46Å; L121-W408 HydrophobicContact CD1-CZ2 4.42Å; L121-W408 HydrophobicContact CD1-CZ3 4.08Å
122	Y	97.7	Very high	92.2	Very high	95 Å²	95	70.8 Å²	70.8	37%	0.373	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.2	166.8	-49.5	-97	0	0	0	109.9	V120 L161 L406 I407 D409	V120-Y122 HydrophobicContact CB-CE2 4.21Å; V120-Y122 HydrophobicContact CG1-CD2 4.4Å; V120-Y122 HydrophobicContact CG1-CE1 4.34Å; V120-Y122 HydrophobicContact CG1-CE2 3.73Å; Y122-L161 HydrophobicContact CD1-CD1 4.27Å; Y122-L161 HydrophobicContact CG-CD1 4.37Å; Y122-L406 WeakPolarHBondContact O-CA 3.17Å; Y122-I407 HydrophobicContact CD2-CB 4.23Å; Y122-I407 HydrophobicContact CD2-CG2 3.81Å; Y122-I407 PolarHBondContact N-O 3.45Å; Y122-I407 PolarHBondContact O-N 2.87Å; Y122-D409 HydrophobicContact CE2-CB 4.06Å
123	R	98	Very high	92.6	Very high	114 Å²	114	68.7 Å²	68.7	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.2	-175.5	-175.7	174.3	-162.5	102.5	7	110.8	T404 L406	R123-T404 HydrophobicContact CG-CG2 4.47Å; R123-T404 PolarHBondContact NH2-OG1 2.94Å; R123-L406 HydrophobicContact CB-CD2 3.8Å; R123-L406 HydrophobicContact CG-CD2 3.7Å
124	I	97.7	Very high	92.9	Very high	7 Å²	7	68.5 Å²	68.5	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.3	166.6	-52.1	179.4	0	0	0	107.2	I144 F156 L161 T404 I405 I407	I124-I144 HydrophobicContact CD1-CD1 4.06Å; I124-F156 HydrophobicContact CD1-CB 4.2Å; I124-F156 HydrophobicContact CD1-CD1 4.3Å; I124-F156 HydrophobicContact CD1-CG 4.18Å; I124-F156 HydrophobicContact CG2-CD1 3.74Å; I124-F156 HydrophobicContact CG2-CE1 3.46Å; I124-F156 VanDerWaalsContact CG2-CE1 3.46Å; I124-F156 HydrophobicContact CG2-CE2 4.39Å; I124-F156 HydrophobicContact CG2-CG 4.34Å; I124-F156 HydrophobicContact CG2-CZ 3.82Å; I124-L161 HydrophobicContact CD1-CB 4.29Å; I124-L161 HydrophobicContact CD1-CD2 4.15Å; I124-L161 HydrophobicContact CG1-CB 4.12Å; I124-L161 HydrophobicContact CG1-CD2 4.41Å; I124-T404 VanDerWaalsContact O-CA 3.23Å; I124-T404 WeakPolarHBondContact O-CA 3.27Å; I124-T404 WeakPolarHBondContact O-CB 3.42Å; I124-I405 HydrophobicContact CB-CB 4.18Å; I124-I405 PolarHBondContact N-O 3.39Å; I124-I405 PolarHBondContact O-N 2.86Å; I124-I407 HydrophobicContact CD1-CD1 4.44Å
125	N	96	Very high	93.2	Very high	92 Å²	92	70.4 Å²	70.4	49%	0.492	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.2	166.5	-176.1	-21.9	0	0	0	107.8	R127	N125-R127 PolarHBondContact O-N 2.93Å; N125-R127 PolarHBondContact OD1-N 2.66Å
126	C	95	Very high	93.4	Very high	4 Å²	4	65.8 Å²	65.8	3%	0.027	31%	0.307	C	S	.	.			trans	-73.2	-14.7	-175	-70.3	0	0	0	0	113.5	S128 V134 L148 K154 D403	C126-S128 VanDerWaalsContact C-N 3.32Å; C126-S128 PolarHBondContact O-N 3.07Å; C126-V134 HydrophobicContact CB-CG2 4.04Å; C126-V134 WeakPolarHBondContact SG-CG2 3.45Å; C126-L148 HydrophobicContact CB-CD2 3.86Å; C126-K154 PolarHBondContact O-NZ 2.87Å; C126-D403 WeakPolarHBondContact CB-O 3.36Å; C126-D403 PolarHBondContact N-O 3.02Å
127	R	92.1	Very high	93.7	Very high	200 Å²	200	62.7 Å²	62.7	76%	0.755	29%	0.291	S	S	*	.			trans	50.4	51	176.8	-56.9	178.7	-174.5	-174	0.7	111.5	N125 D403	N125-R127 PolarHBondContact O-N 2.93Å; N125-R127 PolarHBondContact OD1-N 2.66Å; R127-D403 PolarHBondContact N-OD2 2.94Å
128	S	86.4	Confident	94	Very high	13 Å²	13	64 Å²	64	9%	0.091	29%	0.294	C	S	.	.			trans	-64.4	134.5	176.5	-58.2	0	0	0	0	110.1	C126 S131 L148 D403	C126-S128 VanDerWaalsContact C-N 3.32Å; C126-S128 PolarHBondContact O-N 3.07Å; S128-S131 WeakPolarHBondContact CB-O 3.37Å; S128-L148 WeakPolarHBondContact OG-CD2 3.39Å; S128-D403 WeakPolarHBondContact CB-OD1 3.27Å; S128-D403 PolarHBondContact N-OD2 3.39Å; S128-D403 VanDerWaalsContact OG-CG 3.31Å; S128-D403 PolarHBondContact OG-OD1 2.77Å; S128-D403 PolarHBondContact OG-OD2 3.45Å
129	E	80.2	Confident	94.2	Very high	171 Å²	171	60 Å²	60	80%	0.799	28%	0.28	S	S	*	.	S	Bend	trans	-71.1	-45.9	-171.4	-65.4	-176	167.8	0	0	112.8
130	N	79	Confident	94.2	Very high	142 Å²	142	60.2 Å²	60.2	76%	0.759	28%	0.282	S	S	*	.	S	Bend	trans	-119.2	-48.6	-169.7	-65.3	-46.8	0	0	0	113.1
131	S	87.4	Confident	94.1	Very high	47 Å²	47	62.6 Å²	62.6	33%	0.329	29%	0.293	S	S	.	.	S	Bend	trans	-121.6	114	-176.4	-71.6	0	0	0	0	110.3	S128	S128-S131 WeakPolarHBondContact CB-O 3.37Å
132	K	92.9	Very high	94	Very high	129 Å²	129	65.9 Å²	65.9	56%	0.561	31%	0.31	S	S	*	.			trans	-74.7	143.8	179.9	-69.1	-174.1	-177.5	-176.3	0	112.1	R149 D403	K132-R149 VanDerWaalsContact O-CD 3.24Å; K132-R149 WeakPolarHBondContact O-CD 3.38Å; K132-D403 HydrophobicContact CB-CB 3.95Å; K132-D403 HydrophobicContact CD-CB 4.24Å; K132-D403 HydrophobicContact CG-CB 4.06Å
133	G	95.4	Very high	94	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.301	C	S	.	.			trans	129.6	138.7	169	0	0	0	0	0	113.2	R149 D403	G133-R149 WeakPolarHBondContact O-CB 3.3Å; G133-R149 PolarHBondContact O-N 3.11Å; G133-D403 PolarHBondContact N-OD1 2.89Å
134	V	98.2	Very high	94	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	105.6	179.5	-179	0	0	0	0	107.8	C126 C146 L148 F387 S399 S400 I405	C126-V134 HydrophobicContact CB-CG2 4.04Å; C126-V134 WeakPolarHBondContact SG-CG2 3.45Å; V134-C146 HydrophobicContact CG1-CB 3.67Å; V134-L148 HydrophobicContact CG2-CG 4.42Å; V134-F387 WeakPolarHBondContact O-CB 3.18Å; V134-F387 WeakPolarHBondContact O-CD2 3.42Å; V134-S399 VanDerWaalsContact CG1-CB 3.5Å; V134-S399 WeakPolarHBondContact O-CB 3.5Å; V134-S399 PolarHBondContact O-OG 3.27Å; V134-S400 PolarHBondContact N-O 3.29Å; V134-S400 VanDerWaalsContact N-O 3.1Å; V134-I405 HydrophobicContact CG1-CD1 4.45Å; V134-I405 HydrophobicContact CG1-CG1 4.28Å
135	Y	98.6	Very high	94.1	Very high	42 Å²	42	57.5 Å²	57.5	17%	0.165	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-35.3	-170.6	-80.7	-61.5	0	0	0	113.6	G147 R149 V174 L175 F387	Y135-G147 PolarHBondContact N-O 2.81Å; Y135-R149 HydrophobicContact CD2-CB 4.24Å; Y135-R149 HydrophobicContact CE2-CB 3.71Å; Y135-R149 HydrophobicContact CE2-CG 3.71Å; Y135-V174 WeakPolarHBondContact CB-O 3.48Å; Y135-L175 HydrophobicContact CD1-CD2 4.49Å; Y135-L175 HydrophobicContact CD2-CD2 3.83Å; Y135-L175 HydrophobicContact CE2-CD2 3.9Å; Y135-L175 HydrophobicContact CG-CD2 4.14Å; Y135-F387 HydrophobicContact CD1-CD1 4.35Å; Y135-F387 AromaticContact CD1-CD2 3.83Å; Y135-F387 HydrophobicContact CD1-CD2 3.83Å; Y135-F387 HydrophobicContact CD1-CE1 4.48Å; Y135-F387 AromaticContact CD1-CE2 3.92Å; Y135-F387 HydrophobicContact CD1-CE2 3.92Å; Y135-F387 HydrophobicContact CD1-CG 4.04Å; Y135-F387 HydrophobicContact CD1-CZ 4.26Å; Y135-F387 HydrophobicContact CE1-CD2 4.18Å; Y135-F387 HydrophobicContact CE1-CE1 4.21Å; Y135-F387 AromaticContact CE1-CE2 3.79Å; Y135-F387 HydrophobicContact CE1-CE2 3.79Å; Y135-F387 AromaticContact CE1-CZ 3.81Å; Y135-F387 HydrophobicContact CE1-CZ 3.81Å
136	C	98.7	Very high	94.2	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.7	-177.5	56.5	0	0	0	0	111.2	C146 G147 C176 L177	C136-C146 CarbonylContact O-C 3.6Å; C136-C146 VanDerWaalsContact O-CA 3.25Å; C136-C146 WeakPolarHBondContact O-CA 3.43Å; C136-C146 WeakPolarHBondContact O-CB 3.16Å; C136-G147 PolarHBondContact O-N 3.46Å; C136-C176 VanDerWaalsContact SG-CA 3.54Å; C136-L177 HydrophobicContact CB-CG 4.36Å
137	L	98.7	Very high	94.3	Very high	7 Å²	7	53 Å²	53	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.3	173.2	68.8	82.1	0	0	0	110.2	V145 C146 R388 Q390 V397 S399 I405	L137-V145 CarbonylContact C-O 3.6Å; L137-V145 VanDerWaalsContact CA-O 3.26Å; L137-V145 WeakPolarHBondContact CA-O 3.46Å; L137-C146 HydrophobicContact CB-CB 4.18Å; L137-R388 HydrophobicContact CG-CB 4.36Å; L137-R388 HydrophobicContact CG-CG 4.31Å; L137-Q390 HydrophobicContact CD1-CB 4.01Å; L137-V397 HydrophobicContact CD1-CB 4.37Å; L137-V397 HydrophobicContact CD1-CG1 4.17Å; L137-V397 HydrophobicContact CD2-CG1 4.03Å; L137-S399 WeakPolarHBondContact CD2-OG 3.45Å; L137-I405 HydrophobicContact CD2-CG2 4.36Å
138	Q	98.8	Very high	94.6	Very high	39 Å²	39	43.4 Å²	43.4	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147	161.8	-176.9	-178.3	-12	0	0	108.1	V145 L177 Q178 Y179 Q390	Q138-V145 PolarHBondContact N-O 3.08Å; Q138-V145 PolarHBondContact O-N 2.98Å; Q138-L177 HydrophobicContact CB-CD1 4.04Å; Q138-Q178 VanDerWaalsContact OE1-CA 3.26Å; Q138-Y179 HydrophobicContact CB-CD1 3.82Å; Q138-Y179 HydrophobicContact CB-CE1 3.57Å; Q138-Y179 VanDerWaalsContact CD-CD1 3.42Å; Q138-Y179 VanDerWaalsContact CD-CE1 3.48Å; Q138-Y179 HydrophobicContact CG-CD1 3.8Å; Q138-Y179 HydrophobicContact CG-CE1 3.38Å; Q138-Y179 PolarHBondContact NE2-O 3.4Å; Q138-Q390 VanDerWaalsContact CA-OE1 3.25Å
139	Y	98.3	Very high	95.2	Very high	13 Å²	13	47 Å²	47	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.2	177.5	77.9	-90.1	0	0	0	113	K143 Q390 D392 Q395 V397	Y139-K143 WeakPolarHBondContact CA-O 3.43Å; Y139-Q390 HydrophobicContact CD1-CB 3.85Å; Y139-Q390 HydrophobicContact CD1-CG 3.87Å; Y139-Q390 VanDerWaalsContact CD1-OE1 3.32Å; Y139-Q390 HydrophobicContact CE1-CB 3.63Å; Y139-Q390 HydrophobicContact CE1-CG 3.47Å; Y139-Q390 VanDerWaalsContact CE1-CG 3.47Å; Y139-Q390 PolarHBondContact O-NE2 3.04Å; Y139-D392 WeakPolarHBondContact CE2-OD2 3.35Å; Y139-D392 PolarHBondContact OH-N 2.9Å; Y139-D392 PolarHBondContact OH-OD2 3.48Å; Y139-Q395 HydrophobicContact CE2-CG 4.42Å; Y139-V397 HydrophobicContact CD1-CB 3.67Å; Y139-V397 HydrophobicContact CD1-CG1 4.39Å; Y139-V397 HydrophobicContact CD1-CG2 3.53Å; Y139-V397 HydrophobicContact CD2-CG2 4.34Å; Y139-V397 HydrophobicContact CE1-CB 3.84Å; Y139-V397 HydrophobicContact CE1-CG2 3.55Å; Y139-V397 HydrophobicContact CE2-CG2 4.39Å; Y139-V397 HydrophobicContact CG-CB 4.43Å; Y139-V397 HydrophobicContact CG-CG2 3.95Å
140	D	96.5	Very high	95.9	Very high	43 Å²	43	40.2 Å²	40.2	23%	0.23	20%	0.199	C	C	.	.			trans	-131.6	-172.1	163.9	59.6	44.2	0	0	0	109	L142 K143 Y179	D140-L142 PolarHBondContact O-N 2.86Å; D140-L142 WeakPolarHBondContact OD1-CA 3.3Å; D140-L142 WeakPolarHBondContact OD1-CB 3.44Å; D140-L142 PolarHBondContact OD1-N 3.19Å; D140-K143 PolarHBondContact N-O 3.22Å; D140-K143 PolarHBondContact OD1-N 3.47Å; D140-K143 IonicContact OD1-NZ 3.1Å; D140-K143 IonicContact OD2-NZ 3.07Å; D140-K143 PolarHBondContact OD2-NZ 2.95Å; D140-Y179 WeakPolarHBondContact CB-OH 3.38Å; D140-Y179 PolarHBondContact N-OH 2.76Å; D140-Y179 WeakPolarHBondContact OD2-CE2 3.49Å; D140-Y179 PolarHBondContact OD2-OH 2.8Å
141	D	92.4	Very high	96.8	Very high	96 Å²	96	36 Å²	36	51%	0.513	18%	0.176	S	C	.	.	S	Bend	trans	-68.5	-15.5	-179.5	-71.5	-51.2	0	0	0	113.9	K57 R158	K57-D141 IonicContact NZ-OD1 3.57Å; K57-D141 PolarHBondContact NZ-OD1 2.9Å; D141-R158 WeakPolarHBondContact O-CB 3.23Å
142	L	96	Very high	97.3	Very high	126 Å²	126	34.6 Å²	34.6	66%	0.66	17%	0.165	S	C	*	.	S	Bend	trans	-102.7	-37.8	-176.6	-58.2	178.4	0	0	0	112.8	D140 R158	D140-L142 PolarHBondContact O-N 2.86Å; D140-L142 WeakPolarHBondContact OD1-CA 3.3Å; D140-L142 WeakPolarHBondContact OD1-CB 3.44Å; D140-L142 PolarHBondContact OD1-N 3.19Å; L142-R158 VanDerWaalsContact C-CB 3.4Å; L142-R158 VanDerWaalsContact O-CB 3.28Å; L142-R158 WeakPolarHBondContact O-CB 3.4Å; L142-R158 PolarHBondContact O-N 3.28Å
143	K	97.3	Very high	97.6	Very high	40 Å²	40	28.5 Å²	28.5	17%	0.174	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158.8	-170.4	61.5	-171.6	179	-62.2	0	114.2	Y139 D140 V145 I155 F156	Y139-K143 WeakPolarHBondContact CA-O 3.43Å; D140-K143 PolarHBondContact N-O 3.22Å; D140-K143 PolarHBondContact OD1-N 3.47Å; D140-K143 IonicContact OD1-NZ 3.1Å; D140-K143 IonicContact OD2-NZ 3.07Å; D140-K143 PolarHBondContact OD2-NZ 2.95Å; K143-V145 HydrophobicContact CD-CG2 4.4Å; K143-V145 HydrophobicContact CG-CG2 4.47Å; K143-I155 HydrophobicContact CB-CG2 4.09Å; K143-I155 HydrophobicContact CD-CG2 4.18Å; K143-F156 CarbonylContact C-O 3.58Å; K143-F156 WeakPolarHBondContact CA-O 3.36Å; K143-F156 WeakPolarHBondContact CB-O 3.39Å
144	I	98.6	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.7	167	-56.4	171.2	0	0	0	107.5	I124 I155 F156 V397 I405 I407	I124-I144 HydrophobicContact CD1-CD1 4.06Å; I144-I155 CarbonylContact O-C 3.56Å; I144-I155 WeakPolarHBondContact O-CA 2.95Å; I144-F156 HydrophobicContact CB-CB 4.43Å; I144-F156 PolarHBondContact N-O 3.03Å; I144-F156 PolarHBondContact O-N 2.84Å; I144-V397 HydrophobicContact CD1-CG1 4.14Å; I144-I405 HydrophobicContact CD1-CG2 4.48Å; I144-I405 HydrophobicContact CG2-CD1 4.17Å; I144-I407 HydrophobicContact CD1-CD1 4.13Å; I144-I407 HydrophobicContact CD1-CG1 4.38Å
145	V	98.7	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125	174.6	-174.9	0	0	0	0	108	L137 Q138 K143 I153 I155 L177 Y179 I184	L137-V145 CarbonylContact C-O 3.6Å; L137-V145 VanDerWaalsContact CA-O 3.26Å; L137-V145 WeakPolarHBondContact CA-O 3.46Å; Q138-V145 PolarHBondContact N-O 3.08Å; Q138-V145 PolarHBondContact O-N 2.98Å; K143-V145 HydrophobicContact CD-CG2 4.4Å; K143-V145 HydrophobicContact CG-CG2 4.47Å; V145-I153 HydrophobicContact CG1-CG2 3.66Å; V145-I155 HydrophobicContact CG1-CG1 4.35Å; V145-I155 HydrophobicContact CG2-CG1 4.27Å; V145-I155 HydrophobicContact CG2-CG2 4.34Å; V145-L177 HydrophobicContact CB-CD1 4.43Å; V145-L177 HydrophobicContact CG1-CD1 4.19Å; V145-L177 HydrophobicContact CG1-CD2 4.09Å; V145-Y179 HydrophobicContact CB-CD1 4.02Å; V145-Y179 HydrophobicContact CB-CE1 4.1Å; V145-Y179 HydrophobicContact CG2-CD1 3.84Å; V145-Y179 HydrophobicContact CG2-CE1 3.79Å; V145-Y179 HydrophobicContact CG2-CG 4.49Å; V145-I184 HydrophobicContact CG1-CD1 4.11Å; V145-I184 HydrophobicContact CG1-CG2 4.33Å
146	C	98.6	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.7	-178.4	68.8	0	0	0	0	113.1	V134 C136 L137 L148 I153 K154 I405	V134-C146 HydrophobicContact CG1-CB 3.67Å; C136-C146 CarbonylContact O-C 3.6Å; C136-C146 VanDerWaalsContact O-CA 3.25Å; C136-C146 WeakPolarHBondContact O-CA 3.43Å; C136-C146 WeakPolarHBondContact O-CB 3.16Å; L137-C146 HydrophobicContact CB-CB 4.18Å; C146-L148 WeakPolarHBondContact O-CD1 3.37Å; C146-I153 CarbonylContact O-C 3.58Å; C146-I153 VanDerWaalsContact O-CA 3.24Å; C146-I153 WeakPolarHBondContact O-CA 3.3Å; C146-I153 WeakPolarHBondContact O-CG2 3.48Å; C146-K154 PolarHBondContact N-O 2.91Å; C146-K154 PolarHBondContact O-N 2.96Å; C146-I405 HydrophobicContact CB-CD1 3.93Å
147	G	98.6	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.9	176.7	0	0	0	0	0	110.5	Y135 C136 L177	Y135-G147 PolarHBondContact N-O 2.81Å; C136-G147 PolarHBondContact O-N 3.46Å; G147-L177 VanDerWaalsContact N-CD2 3.35Å
148	L	98.2	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	161.8	-169.8	-66.1	86.9	0	0	0	111.9	C126 S128 V134 C146 D150 N151 T152 K154 V174	C126-L148 HydrophobicContact CB-CD2 3.86Å; S128-L148 WeakPolarHBondContact OG-CD2 3.39Å; V134-L148 HydrophobicContact CG2-CG 4.42Å; C146-L148 WeakPolarHBondContact O-CD1 3.37Å; L148-D150 WeakPolarHBondContact CB-OD1 3.43Å; L148-D150 PolarHBondContact O-N 3.35Å; L148-N151 PolarHBondContact O-N 3.37Å; L148-T152 WeakPolarHBondContact CD1-O 3.26Å; L148-T152 PolarHBondContact N-O 3.34Å; L148-K154 HydrophobicContact CD1-CB 3.89Å; L148-K154 HydrophobicContact CD1-CD 4.18Å; L148-K154 HydrophobicContact CD1-CG 3.69Å; L148-K154 HydrophobicContact CD2-CD 3.91Å; L148-K154 HydrophobicContact CD2-CG 4.33Å; L148-V174 PolarHBondContact O-N 3.29Å
149	R	97.5	Very high	97.2	Very high	88 Å²	88	38.4 Å²	38.4	33%	0.332	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.6	175	-169.1	174.6	-178.1	-172.8	-1.4	113	K132 G133 Y135 N151 S173	K132-R149 VanDerWaalsContact O-CD 3.24Å; K132-R149 WeakPolarHBondContact O-CD 3.38Å; G133-R149 WeakPolarHBondContact O-CB 3.3Å; G133-R149 PolarHBondContact O-N 3.11Å; Y135-R149 HydrophobicContact CD2-CB 4.24Å; Y135-R149 HydrophobicContact CE2-CB 3.71Å; Y135-R149 HydrophobicContact CE2-CG 3.71Å; R149-N151 PolarHBondContact O-N 2.68Å; R149-N151 PolarHBondContact O-OD1 3.3Å; R149-S173 WeakPolarHBondContact CG-OG 3.49Å; R149-S173 PolarHBondContact O-OG 2.98Å
150	D	95.9	Very high	97.1	Very high	29 Å²	29	40.8 Å²	40.8	16%	0.155	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	14.8	175.6	70.4	5.5	0	0	0	114.4	L148 T152	L148-D150 WeakPolarHBondContact CB-OD1 3.43Å; L148-D150 PolarHBondContact O-N 3.35Å; D150-T152 PolarHBondContact O-N 2.95Å; D150-T152 WeakPolarHBondContact OD1-CB 3.44Å; D150-T152 PolarHBondContact OD1-N 2.77Å; D150-T152 VanDerWaalsContact OD1-N 3.07Å; D150-T152 PolarHBondContact OD1-OG1 2.88Å
151	N	97.6	Very high	97.1	Very high	52 Å²	52	40.7 Å²	40.7	28%	0.278	20%	0.204	S	C	.	.	S	Bend	trans	73.6	3.3	178.4	-43.1	-18.4	0	0	0	114.8	L148 R149 H170 T171 G172 S173	L148-N151 PolarHBondContact O-N 3.37Å; R149-N151 PolarHBondContact O-N 2.68Å; R149-N151 PolarHBondContact O-OD1 3.3Å; N151-H170 WeakPolarHBondContact CB-O 3.45Å; N151-T171 PolarHBondContact ND2-O 2.83Å; N151-G172 WeakPolarHBondContact CA-O 3.07Å; N151-G172 VanDerWaalsContact CB-O 3.32Å; N151-G172 WeakPolarHBondContact CB-O 3.29Å; N151-G172 VanDerWaalsContact OD1-CA 3.31Å; N151-G172 WeakPolarHBondContact OD1-CA 3.44Å; N151-G172 PolarHBondContact OD1-O 3.04Å; N151-S173 PolarHBondContact OD1-N 3.11Å
152	T	97.7	Very high	97.3	Very high	18 Å²	18	39.6 Å²	39.6	11%	0.11	20%	0.201	C	C	.	.			trans	-97.6	159.2	179.9	71.9	0	0	0	0	112.8	L148 D150 V166 L167 T168	L148-T152 WeakPolarHBondContact CD1-O 3.26Å; L148-T152 PolarHBondContact N-O 3.34Å; D150-T152 PolarHBondContact O-N 2.95Å; D150-T152 WeakPolarHBondContact OD1-CB 3.44Å; D150-T152 PolarHBondContact OD1-N 2.77Å; D150-T152 VanDerWaalsContact OD1-N 3.07Å; D150-T152 PolarHBondContact OD1-OG1 2.88Å; T152-V166 HydrophobicContact CG2-CG1 4.08Å; T152-L167 WeakPolarHBondContact CA-O 3.36Å; T152-T168 HydrophobicContact CG2-CG2 4.15Å
153	I	98.5	Very high	97.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.3	162.7	-57	172.1	0	0	0	106.8	V145 C146 V166 L167 V174 L177 I184 W196	V145-I153 HydrophobicContact CG1-CG2 3.66Å; C146-I153 CarbonylContact O-C 3.58Å; C146-I153 VanDerWaalsContact O-CA 3.24Å; C146-I153 WeakPolarHBondContact O-CA 3.3Å; C146-I153 WeakPolarHBondContact O-CG2 3.48Å; I153-V166 CarbonylContact O-C 3.6Å; I153-V166 WeakPolarHBondContact O-CA 3.42Å; I153-L167 HydrophobicContact CB-CB 4.07Å; I153-L167 HydrophobicContact CB-CD1 4.29Å; I153-L167 HydrophobicContact CB-CG 4.24Å; I153-L167 HydrophobicContact CD1-CD1 4.49Å; I153-L167 HydrophobicContact CG2-CD1 4.28Å; I153-L167 PolarHBondContact N-O 3.35Å; I153-L167 PolarHBondContact O-N 3.4Å; I153-V174 HydrophobicContact CD1-CG1 4.46Å; I153-V174 HydrophobicContact CG1-CG1 4.1Å; I153-V174 HydrophobicContact CG1-CG2 4.02Å; I153-L177 HydrophobicContact CG2-CD2 4.4Å; I153-I184 HydrophobicContact CD1-CG2 4.47Å; I153-W196 HydrophobicContact CD1-CZ2 4.32Å
154	K	98	Very high	97.3	Very high	26 Å²	26	39.4 Å²	39.4	11%	0.113	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.2	174.5	-64.8	-173.3	-172.9	-178.2	0	110.2	C126 C146 L148 F156 V166	C126-K154 PolarHBondContact O-NZ 2.87Å; C146-K154 PolarHBondContact N-O 2.91Å; C146-K154 PolarHBondContact O-N 2.96Å; L148-K154 HydrophobicContact CD1-CB 3.89Å; L148-K154 HydrophobicContact CD1-CD 4.18Å; L148-K154 HydrophobicContact CD1-CG 3.69Å; L148-K154 HydrophobicContact CD2-CD 3.91Å; L148-K154 HydrophobicContact CD2-CG 4.33Å; K154-F156 HydrophobicContact CB-CD2 4.27Å; K154-F156 HydrophobicContact CB-CE2 3.57Å; K154-F156 HydrophobicContact CB-CZ 4.13Å; K154-F156 HydrophobicContact CD-CE2 4.38Å; K154-F156 HydrophobicContact CD-CZ 4.17Å; K154-V166 HydrophobicContact CG-CG1 4.27Å; K154-V166 HydrophobicContact CG-CG2 4.17Å
155	I	98.2	Very high	97.2	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.8	174.2	-53.1	-178.9	0	0	0	107.4	K143 I144 V145 C163 L164 N165 I184	K143-I155 HydrophobicContact CB-CG2 4.09Å; K143-I155 HydrophobicContact CD-CG2 4.18Å; I144-I155 CarbonylContact O-C 3.56Å; I144-I155 WeakPolarHBondContact O-CA 2.95Å; V145-I155 HydrophobicContact CG1-CG1 4.35Å; V145-I155 HydrophobicContact CG2-CG1 4.27Å; V145-I155 HydrophobicContact CG2-CG2 4.34Å; I155-C163 CarbonylContact O-C 3.56Å; I155-L164 HydrophobicContact CG2-CD1 4.48Å; I155-L164 PolarHBondContact O-N 3.41Å; I155-N165 HydrophobicContact CB-CB 4.38Å; I155-N165 HydrophobicContact CD1-CB 4.36Å; I155-N165 PolarHBondContact N-O 3.08Å; I155-N165 PolarHBondContact O-N 2.92Å; I155-I184 HydrophobicContact CD1-CD1 3.95Å
156	F	98.1	Very high	97.2	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.3	177.4	-67.2	-92.3	0	0	0	110.7	I124 K143 I144 K154 T162 C163 I405	I124-F156 HydrophobicContact CD1-CB 4.2Å; I124-F156 HydrophobicContact CD1-CD1 4.3Å; I124-F156 HydrophobicContact CD1-CG 4.18Å; I124-F156 HydrophobicContact CG2-CD1 3.74Å; I124-F156 HydrophobicContact CG2-CE1 3.46Å; I124-F156 VanDerWaalsContact CG2-CE1 3.46Å; I124-F156 HydrophobicContact CG2-CE2 4.39Å; I124-F156 HydrophobicContact CG2-CG 4.34Å; I124-F156 HydrophobicContact CG2-CZ 3.82Å; K143-F156 CarbonylContact C-O 3.58Å; K143-F156 WeakPolarHBondContact CA-O 3.36Å; K143-F156 WeakPolarHBondContact CB-O 3.39Å; I144-F156 HydrophobicContact CB-CB 4.43Å; I144-F156 PolarHBondContact N-O 3.03Å; I144-F156 PolarHBondContact O-N 2.84Å; K154-F156 HydrophobicContact CB-CD2 4.27Å; K154-F156 HydrophobicContact CB-CE2 3.57Å; K154-F156 HydrophobicContact CB-CZ 4.13Å; K154-F156 HydrophobicContact CD-CE2 4.38Å; K154-F156 HydrophobicContact CD-CZ 4.17Å; F156-T162 CarbonylContact C-O 3.58Å; F156-T162 VanDerWaalsContact CA-O 3.22Å; F156-T162 WeakPolarHBondContact CA-O 3.03Å; F156-C163 HydrophobicContact CD1-CB 3.92Å; F156-C163 HydrophobicContact CE1-CB 3.62Å; F156-C163 HydrophobicContact CZ-CB 4.23Å; F156-I405 HydrophobicContact CD2-CD1 4.47Å; F156-I405 HydrophobicContact CE2-CD1 4.45Å
157	D	97.5	Very high	97.1	Very high	40 Å²	40	45.7 Å²	45.7	21%	0.214	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.8	169.5	178.2	61.9	0	0	0	110.4	Q159 S160 L161 T162 L164	D157-Q159 VanDerWaalsContact C-N 3.32Å; D157-Q159 PolarHBondContact O-N 2.95Å; D157-Q159 PolarHBondContact OD2-N 2.93Å; D157-S160 WeakPolarHBondContact CB-OG 3.37Å; D157-S160 VanDerWaalsContact OD2-CB 3.26Å; D157-S160 WeakPolarHBondContact OD2-CB 3.41Å; D157-S160 PolarHBondContact OD2-N 2.94Å; D157-S160 PolarHBondContact OD2-OG 2.81Å; D157-L161 WeakPolarHBondContact O-CA 3.25Å; D157-L161 PolarHBondContact O-N 2.78Å; D157-T162 PolarHBondContact N-O 2.86Å; D157-L164 HydrophobicContact CB-CD1 3.84Å; D157-L164 HydrophobicContact CB-CD2 3.95Å; D157-L164 HydrophobicContact CB-CG 3.84Å
158	R	94.8	Very high	97.1	Very high	31 Å²	31	50.5 Å²	50.5	12%	0.117	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.7	-172.5	-170	67.2	-164.8	82.7	0.5	113.2	D141 L142 L161	D141-R158 WeakPolarHBondContact O-CB 3.23Å; L142-R158 VanDerWaalsContact C-CB 3.4Å; L142-R158 VanDerWaalsContact O-CB 3.28Å; L142-R158 WeakPolarHBondContact O-CB 3.4Å; L142-R158 PolarHBondContact O-N 3.28Å; R158-L161 WeakPolarHBondContact O-CD2 3.37Å
159	Q	93.4	Very high	97	Very high	184 Å²	184	52.1 Å²	52.1	86%	0.86	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-52.8	-175.8	-175.5	173.7	5.2	0	0	112.2	D157	D157-Q159 VanDerWaalsContact C-N 3.32Å; D157-Q159 PolarHBondContact O-N 2.95Å; D157-Q159 PolarHBondContact OD2-N 2.93Å
160	S	96.4	Very high	97.1	Very high	63 Å²	63	48.4 Å²	48.4	44%	0.441	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.9	-178.6	66.9	0	0	0	0	113.6	D157 T162	D157-S160 WeakPolarHBondContact CB-OG 3.37Å; D157-S160 VanDerWaalsContact OD2-CB 3.26Å; D157-S160 WeakPolarHBondContact OD2-CB 3.41Å; D157-S160 PolarHBondContact OD2-N 2.94Å; D157-S160 PolarHBondContact OD2-OG 2.81Å; S160-T162 PolarHBondContact O-N 2.89Å; S160-T162 PolarHBondContact OG-N 3.04Å; S160-T162 PolarHBondContact OG-OG1 2.86Å
161	L	96.9	Very high	97.2	Very high	42 Å²	42	52.2 Å²	52.2	22%	0.22	30%	0.298	C	S	.	.			trans	60.6	20.4	-176.4	-49.4	-178.2	0	0	0	113.9	Y122 I124 D157 R158 I407	Y122-L161 HydrophobicContact CD1-CD1 4.27Å; Y122-L161 HydrophobicContact CG-CD1 4.37Å; I124-L161 HydrophobicContact CD1-CB 4.29Å; I124-L161 HydrophobicContact CD1-CD2 4.15Å; I124-L161 HydrophobicContact CG1-CB 4.12Å; I124-L161 HydrophobicContact CG1-CD2 4.41Å; D157-L161 WeakPolarHBondContact O-CA 3.25Å; D157-L161 PolarHBondContact O-N 2.78Å; R158-L161 WeakPolarHBondContact O-CD2 3.37Å; L161-I407 HydrophobicContact CD1-CD1 4.49Å; L161-I407 HydrophobicContact CD2-CD1 3.64Å
162	T	97.1	Very high	97.2	Very high	73 Å²	73	50.1 Å²	50.1	45%	0.448	29%	0.289	S	S	.	.			trans	-88.9	150.6	178	61.1	0	0	0	0	111	F156 D157 S160 L164	F156-T162 CarbonylContact C-O 3.58Å; F156-T162 VanDerWaalsContact CA-O 3.22Å; F156-T162 WeakPolarHBondContact CA-O 3.03Å; D157-T162 PolarHBondContact N-O 2.86Å; S160-T162 PolarHBondContact O-N 2.89Å; S160-T162 PolarHBondContact OG-N 3.04Å; S160-T162 PolarHBondContact OG-OG1 2.86Å; T162-L164 PolarHBondContact O-N 3.37Å
163	C	97.2	Very high	97.2	Very high	58 Å²	58	50.1 Å²	50.1	39%	0.392	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.3	175.6	-171.7	0	0	0	0	109.4	I155 F156	I155-C163 CarbonylContact O-C 3.56Å; F156-C163 HydrophobicContact CD1-CB 3.92Å; F156-C163 HydrophobicContact CE1-CB 3.62Å; F156-C163 HydrophobicContact CZ-CB 4.23Å
164	L	96.4	Very high	97.2	Very high	104 Å²	104	50 Å²	50	55%	0.545	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-40.9	179.9	-66.2	176.6	0	0	0	112.2	I155 D157 T162	I155-L164 HydrophobicContact CG2-CD1 4.48Å; I155-L164 PolarHBondContact O-N 3.41Å; D157-L164 HydrophobicContact CB-CD1 3.84Å; D157-L164 HydrophobicContact CB-CD2 3.95Å; D157-L164 HydrophobicContact CB-CG 3.84Å; T162-L164 PolarHBondContact O-N 3.37Å
165	N	96.4	Very high	97.2	Very high	60 Å²	60	50.2 Å²	50.2	32%	0.321	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	153	-175.1	-155.7	-5.7	0	0	0	111.4	I155	I155-N165 HydrophobicContact CB-CB 4.38Å; I155-N165 HydrophobicContact CD1-CB 4.36Å; I155-N165 PolarHBondContact N-O 3.08Å; I155-N165 PolarHBondContact O-N 2.92Å
166	V	97.4	Very high	97.3	Very high	64 Å²	64	49.9 Å²	49.9	39%	0.388	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	110.8	175.8	-175	0	0	0	0	108	T152 I153 K154 T168	T152-V166 HydrophobicContact CG2-CG1 4.08Å; I153-V166 CarbonylContact O-C 3.6Å; I153-V166 WeakPolarHBondContact O-CA 3.42Å; K154-V166 HydrophobicContact CG-CG1 4.27Å; K154-V166 HydrophobicContact CG-CG2 4.17Å; V166-T168 HydrophobicContact CG1-CG2 4.33Å
167	L	97.9	Very high	97.3	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122	178.4	-39.3	-176	0	0	0	109	T152 I153 I184 W196 G201	T152-L167 WeakPolarHBondContact CA-O 3.36Å; I153-L167 HydrophobicContact CB-CB 4.07Å; I153-L167 HydrophobicContact CB-CD1 4.29Å; I153-L167 HydrophobicContact CB-CG 4.24Å; I153-L167 HydrophobicContact CD1-CD1 4.49Å; I153-L167 HydrophobicContact CG2-CD1 4.28Å; I153-L167 PolarHBondContact N-O 3.35Å; I153-L167 PolarHBondContact O-N 3.4Å; L167-I184 HydrophobicContact CD1-CD1 3.98Å; L167-W196 HydrophobicContact CB-CE3 4.16Å; L167-W196 HydrophobicContact CB-CZ3 4.16Å; L167-W196 HydrophobicContact CD1-CB 4.22Å; L167-W196 HydrophobicContact CD1-CD2 4.19Å; L167-W196 HydrophobicContact CD1-CE3 4.25Å; L167-W196 HydrophobicContact CD1-CG 4.17Å; L167-G201 VanDerWaalsContact CD2-CA 3.48Å
168	T	97.5	Very high	97.4	Very high	102 Å²	102	49.4 Å²	49.4	63%	0.626	29%	0.287	S	S	*	.			trans	-114	143.1	179.2	58.8	0	0	0	0	110.2	T152 V166	T152-T168 HydrophobicContact CG2-CG2 4.15Å; V166-T168 HydrophobicContact CG1-CG2 4.33Å
169	G	97.2	Very high	97.6	Very high	33 Å²	33	48.5 Å²	48.5	34%	0.34	28%	0.283	S	S	.	.			trans	162.6	-35.7	169.5	0	0	0	0	0	113.2	R194	G169-R194 VanDerWaalsContact CA-NH1 3.3Å; G169-R194 PolarHBondContact O-NH1 3.02Å; G169-R194 PolarHBondContact O-NH2 2.62Å
170	H	98.3	Very high	97.7	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.046	26%	0.258	C	S	.	.			trans	-56.8	142.8	172.3	-85.8	-62.2	0	0	0	110.4	N151 V174 S186 S188 D190 T192 R194 W196	N151-H170 WeakPolarHBondContact CB-O 3.45Å; H170-V174 HydrophobicContact CB-CG2 4.33Å; H170-S186 PolarHBondContact NE2-OG 3.01Å; H170-S188 WeakPolarHBondContact CE1-CB 3.16Å; H170-S188 WeakPolarHBondContact ND1-CB 3.29Å; H170-D190 WeakPolarHBondContact CA-OD2 3.43Å; H170-D190 IonicContact CE1-OD1 3.09Å; H170-D190 IonicContact CE1-OD2 2.63Å; H170-D190 IonicContact CG-OD2 3.07Å; H170-D190 IonicContact ND1-OD1 3.42Å; H170-D190 PolarHBondContact ND1-OD1 3.24Å; H170-D190 IonicContact ND1-OD2 3.17Å; H170-D190 PolarHBondContact ND1-OD2 2.59Å; H170-T192 PolarHBondContact CE1-OG1 2.97Å; H170-T192 PolarHBondContact ND1-OG1 3.23Å; H170-R194 VanDerWaalsContact CE1-CD 3.47Å; H170-R194 WeakPolarHBondContact CE1-CD 3.41Å; H170-R194 PolarHBondContact ND1-NE 3.23Å; H170-W196 AromaticContact CD2-CZ2 3.87Å
171	T	97.9	Very high	97.7	Very high	110 Å²	110	46.8 Å²	46.8	68%	0.675	28%	0.275	S	S	*	.	S	Bend	trans	-100.5	4.4	179.5	56.8	0	0	0	0	112.3	N151 D190	N151-T171 PolarHBondContact ND2-O 2.83Å; T171-D190 PolarHBondContact N-OD2 2.76Å; T171-D190 WeakPolarHBondContact OG1-CB 3.44Å; T171-D190 PolarHBondContact OG1-OD2 3.21Å
172	G	97.9	Very high	97.6	Very high	7 Å²	7	53.6 Å²	53.6	7%	0.072	30%	0.298	C	S	.	.	S	Bend	trans	-145.7	172.2	175	0	0	0	0	0	111.6	N151 S188 S189	N151-G172 WeakPolarHBondContact CA-O 3.07Å; N151-G172 VanDerWaalsContact CB-O 3.32Å; N151-G172 WeakPolarHBondContact CB-O 3.29Å; N151-G172 VanDerWaalsContact OD1-CA 3.31Å; N151-G172 WeakPolarHBondContact OD1-CA 3.44Å; N151-G172 PolarHBondContact OD1-O 3.04Å; G172-S188 PolarHBondContact O-OG 3.02Å; G172-S189 VanDerWaalsContact CA-OG 3.27Å; G172-S189 WeakPolarHBondContact CA-OG 3.24Å
173	S	98.2	Very high	97.7	Very high	18 Å²	18	50.4 Å²	50.4	13%	0.126	28%	0.278	C	S	.	.			trans	-57.9	137.9	-176	-59.4	0	0	0	0	111.9	R149 N151 L175 S188 S189	R149-S173 WeakPolarHBondContact CG-OG 3.49Å; R149-S173 PolarHBondContact O-OG 2.98Å; N151-S173 PolarHBondContact OD1-N 3.11Å; S173-L175 PolarHBondContact O-N 2.88Å; S173-S188 CarbonylContact O-C 3.55Å; S173-S188 VanDerWaalsContact O-CA 3.27Å; S173-S188 WeakPolarHBondContact O-CA 3.46Å; S173-S188 WeakPolarHBondContact O-CB 3.15Å; S173-S188 PolarHBondContact O-OG 3.07Å; S173-S188 VanDerWaalsContact O-OG 3.06Å; S173-S189 PolarHBondContact N-OG 3.12Å; S173-S189 PolarHBondContact O-N 3.38Å
174	V	98.7	Very high	97.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	104.5	177.9	-175.7	0	0	0	0	109.2	Y135 L148 I153 H170	Y135-V174 WeakPolarHBondContact CB-O 3.48Å; L148-V174 PolarHBondContact O-N 3.29Å; I153-V174 HydrophobicContact CD1-CG1 4.46Å; I153-V174 HydrophobicContact CG1-CG1 4.1Å; I153-V174 HydrophobicContact CG1-CG2 4.02Å; H170-V174 HydrophobicContact CB-CG2 4.33Å
175	L	98.8	Very high	97.8	Very high	30 Å²	30	42.7 Å²	42.7	16%	0.157	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-32.6	-168.9	-59.1	-178.6	0	0	0	113	Y135 S173 G187 A213 L215	Y135-L175 HydrophobicContact CD1-CD2 4.49Å; Y135-L175 HydrophobicContact CD2-CD2 3.83Å; Y135-L175 HydrophobicContact CE2-CD2 3.9Å; Y135-L175 HydrophobicContact CG-CD2 4.14Å; S173-L175 PolarHBondContact O-N 2.88Å; L175-G187 PolarHBondContact N-O 2.82Å; L175-A213 HydrophobicContact CD1-CB 4.02Å; L175-L215 HydrophobicContact CD1-CD2 3.76Å
176	C	98.9	Very high	98	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.1	178.4	61.3	0	0	0	0	110.9	C136 S186 G187 H216	C136-C176 VanDerWaalsContact SG-CA 3.54Å; C176-S186 WeakPolarHBondContact O-CA 3.21Å; C176-G187 PolarHBondContact N-O 3.01Å; C176-G187 PolarHBondContact O-N 2.66Å; C176-H216 WeakPolarHBondContact SG-CA 3.45Å
177	L	98.8	Very high	98	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.084	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	156	169.6	67.2	85.5	0	0	0	110.4	C136 Q138 V145 G147 I153 I185	C136-L177 HydrophobicContact CB-CG 4.36Å; Q138-L177 HydrophobicContact CB-CD1 4.04Å; V145-L177 HydrophobicContact CB-CD1 4.43Å; V145-L177 HydrophobicContact CG1-CD1 4.19Å; V145-L177 HydrophobicContact CG1-CD2 4.09Å; G147-L177 VanDerWaalsContact N-CD2 3.35Å; I153-L177 HydrophobicContact CG2-CD2 4.4Å; L177-I185 CarbonylContact C-O 3.53Å; L177-I185 WeakPolarHBondContact CA-O 3.37Å
178	Q	98.9	Very high	98.1	Very high	23 Å²	23	36.5 Å²	36.5	11%	0.107	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.3	162.8	-177.2	179.1	-11.1	0	0	107.7	Q138 I185 L217 R218 F219	Q138-Q178 VanDerWaalsContact OE1-CA 3.26Å; Q178-I185 PolarHBondContact N-O 2.7Å; Q178-I185 PolarHBondContact O-N 2.73Å; Q178-L217 HydrophobicContact CB-CD1 4.11Å; Q178-R218 VanDerWaalsContact OE1-CA 3.23Å; Q178-F219 HydrophobicContact CB-CD1 3.92Å; Q178-F219 HydrophobicContact CB-CE1 3.7Å; Q178-F219 HydrophobicContact CG-CD1 3.9Å; Q178-F219 HydrophobicContact CG-CE1 3.56Å; Q178-F219 HydrophobicContact CG-CZ 4.37Å; Q178-F219 PolarHBondContact NE2-O 3.16Å; Q178-F219 PolarHBondContact OE1-O 3.48Å
179	Y	98.5	Very high	98.1	Very high	12 Å²	12	34 Å²	34	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157	171	76.2	-93.4	0	0	0	111.9	Q138 D140 V145 V183 V198	Q138-Y179 HydrophobicContact CB-CD1 3.82Å; Q138-Y179 HydrophobicContact CB-CE1 3.57Å; Q138-Y179 VanDerWaalsContact CD-CD1 3.42Å; Q138-Y179 VanDerWaalsContact CD-CE1 3.48Å; Q138-Y179 HydrophobicContact CG-CD1 3.8Å; Q138-Y179 HydrophobicContact CG-CE1 3.38Å; Q138-Y179 PolarHBondContact NE2-O 3.4Å; D140-Y179 WeakPolarHBondContact CB-OH 3.38Å; D140-Y179 PolarHBondContact N-OH 2.76Å; D140-Y179 WeakPolarHBondContact OD2-CE2 3.49Å; D140-Y179 PolarHBondContact OD2-OH 2.8Å; V145-Y179 HydrophobicContact CB-CD1 4.02Å; V145-Y179 HydrophobicContact CB-CE1 4.1Å; V145-Y179 HydrophobicContact CG2-CD1 3.84Å; V145-Y179 HydrophobicContact CG2-CE1 3.79Å; V145-Y179 HydrophobicContact CG2-CG 4.49Å; Y179-V183 WeakPolarHBondContact CA-O 3.45Å; Y179-V183 VanDerWaalsContact CB-O 3.29Å; Y179-V183 WeakPolarHBondContact CB-O 3.45Å; Y179-V198 HydrophobicContact CD2-CG2 4.35Å
180	D	97.5	Very high	98.2	Very high	61 Å²	61	33.8 Å²	33.8	33%	0.326	18%	0.176	S	C	.	.			trans	-126.4	-166.8	166.6	72.3	1.7	0	0	0	109.8	R182 V183 F219	D180-R182 PolarHBondContact O-N 2.85Å; D180-R182 VanDerWaalsContact O-N 3.11Å; D180-R182 WeakPolarHBondContact OD1-CA 3.46Å; D180-R182 PolarHBondContact OD1-N 2.81Å; D180-V183 PolarHBondContact N-O 3.02Å; D180-V183 PolarHBondContact OD1-N 3.02Å; D180-F219 HydrophobicContact CB-CE2 4.03Å; D180-F219 HydrophobicContact CB-CZ 3.94Å; D180-F219 WeakPolarHBondContact OD2-CE2 3.23Å
181	D	94.5	Very high	98.2	Very high	149 Å²	149	34.7 Å²	34.7	80%	0.797	18%	0.184	S	C	*	.	S	Bend	trans	-67.8	-7.1	-178.8	-62.9	-28.2	0	0	0	114.2	V198	D181-V198 WeakPolarHBondContact O-CG1 3.39Å
182	R	95.9	Very high	98.3	Very high	186 Å²	186	30.3 Å²	30.3	70%	0.702	16%	0.157	S	C	*	.	S	Bend	trans	-117.9	-43.9	-175.3	-61.6	-178.7	-179.9	-176.1	0.4	112.7	D180 V198	D180-R182 PolarHBondContact O-N 2.85Å; D180-R182 VanDerWaalsContact O-N 3.11Å; D180-R182 WeakPolarHBondContact OD1-CA 3.46Å; D180-R182 PolarHBondContact OD1-N 2.81Å; R182-V198 VanDerWaalsContact C-CG1 3.5Å; R182-V198 WeakPolarHBondContact O-CG1 3.17Å; R182-V198 PolarHBondContact O-N 2.85Å; R182-V198 VanDerWaalsContact O-N 3.08Å
183	V	98.1	Very high	98.3	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.8	-170	-63.2	0	0	0	0	113.3	Y179 D180 I185 V195 W196 L204 F219 P241	Y179-V183 WeakPolarHBondContact CA-O 3.45Å; Y179-V183 VanDerWaalsContact CB-O 3.29Å; Y179-V183 WeakPolarHBondContact CB-O 3.45Å; D180-V183 PolarHBondContact N-O 3.02Å; D180-V183 PolarHBondContact OD1-N 3.02Å; V183-I185 HydrophobicContact CG2-CD1 4.26Å; V183-I185 HydrophobicContact CG2-CG1 4Å; V183-V195 HydrophobicContact CB-CG1 3.89Å; V183-V195 HydrophobicContact CG1-CG1 3.79Å; V183-V195 HydrophobicContact CG2-CG1 4.41Å; V183-W196 CarbonylContact C-O 3.54Å; V183-W196 WeakPolarHBondContact CA-O 3.45Å; V183-W196 WeakPolarHBondContact CB-O 3.23Å; V183-L204 HydrophobicContact CG1-CD1 4.09Å; V183-F219 HydrophobicContact CG2-CE2 4.38Å; V183-F219 HydrophobicContact CG2-CZ 4.14Å; V183-P241 HydrophobicContact CG1-CB 3.83Å; V183-P241 HydrophobicContact CG1-CG 3.53Å
184	I	98.7	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.1	159.2	-56.7	163.8	0	0	0	106.4	V145 I153 I155 L167 V195 W196 V198	V145-I184 HydrophobicContact CG1-CD1 4.11Å; V145-I184 HydrophobicContact CG1-CG2 4.33Å; I153-I184 HydrophobicContact CD1-CG2 4.47Å; I155-I184 HydrophobicContact CD1-CD1 3.95Å; L167-I184 HydrophobicContact CD1-CD1 3.98Å; I184-V195 CarbonylContact O-C 3.54Å; I184-V195 WeakPolarHBondContact O-CA 3.38Å; I184-W196 HydrophobicContact CB-CB 4.23Å; I184-W196 PolarHBondContact N-O 2.86Å; I184-W196 VanDerWaalsContact O-CD1 3.3Å; I184-W196 PolarHBondContact O-N 2.94Å; I184-V198 HydrophobicContact CD1-CG2 4.3Å; I184-V198 HydrophobicContact CG1-CB 4.23Å; I184-V198 HydrophobicContact CG1-CG2 3.96Å
185	I	98.8	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.4	172.6	-51.8	-175.3	0	0	0	108.5	L177 Q178 V183 V193 R194 V195 L217 F219 M224 M238	L177-I185 CarbonylContact C-O 3.53Å; L177-I185 WeakPolarHBondContact CA-O 3.37Å; Q178-I185 PolarHBondContact N-O 2.7Å; Q178-I185 PolarHBondContact O-N 2.73Å; V183-I185 HydrophobicContact CG2-CD1 4.26Å; V183-I185 HydrophobicContact CG2-CG1 4Å; I185-V193 HydrophobicContact CG2-CG1 3.53Å; I185-R194 CarbonylContact C-O 3.47Å; I185-R194 VanDerWaalsContact CA-O 3.31Å; I185-R194 WeakPolarHBondContact CA-O 3.25Å; I185-V195 HydrophobicContact CG1-CG1 4.33Å; I185-V195 HydrophobicContact CG1-CG2 4.27Å; I185-V195 HydrophobicContact CG2-CG2 4.43Å; I185-L217 HydrophobicContact CB-CD1 4.23Å; I185-L217 HydrophobicContact CG2-CD1 4.09Å; I185-L217 HydrophobicContact CG2-CD2 3.91Å; I185-F219 HydrophobicContact CB-CD1 4.36Å; I185-F219 HydrophobicContact CB-CE1 4.27Å; I185-F219 HydrophobicContact CD1-CB 4.41Å; I185-F219 HydrophobicContact CD1-CD1 3.59Å; I185-F219 HydrophobicContact CD1-CD2 4.27Å; I185-F219 HydrophobicContact CD1-CE1 3.79Å; I185-F219 HydrophobicContact CD1-CE2 4.46Å; I185-F219 HydrophobicContact CD1-CG 3.84Å; I185-F219 HydrophobicContact CD1-CZ 4.23Å; I185-F219 HydrophobicContact CG1-CD1 4.14Å; I185-F219 HydrophobicContact CG1-CE1 3.91Å; I185-F219 HydrophobicContact CG1-CZ 4.42Å; I185-M224 HydrophobicContact CD1-SD 4.12Å; I185-M224 HydrophobicContact CG2-SD 3.82Å; I185-M238 HydrophobicContact CD1-CE 3.57Å; I185-M238 HydrophobicContact CD1-SD 3.73Å
186	S	98.9	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141	-176.5	58.1	0	0	0	0	112.5	H170 C176 V193 R194 W196	H170-S186 PolarHBondContact NE2-OG 3.01Å; C176-S186 WeakPolarHBondContact O-CA 3.21Å; S186-V193 CarbonylContact O-C 3.6Å; S186-V193 VanDerWaalsContact O-CA 3.24Å; S186-V193 WeakPolarHBondContact O-CA 3.41Å; S186-R194 PolarHBondContact N-O 2.83Å; S186-R194 PolarHBondContact O-N 3.33Å; S186-W196 PolarHBondContact OG-NE1 2.82Å
187	G	98.9	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.8	170.8	0	0	0	0	0	110.5	L175 C176	L175-G187 PolarHBondContact N-O 2.82Å; C176-G187 PolarHBondContact N-O 3.01Å; C176-G187 PolarHBondContact O-N 2.66Å
188	S	98.9	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	164.2	-171.7	170.5	0	0	0	0	113.4	H170 G172 S173 D190 S191 T192 V214	H170-S188 WeakPolarHBondContact CE1-CB 3.16Å; H170-S188 WeakPolarHBondContact ND1-CB 3.29Å; G172-S188 PolarHBondContact O-OG 3.02Å; S173-S188 CarbonylContact O-C 3.55Å; S173-S188 VanDerWaalsContact O-CA 3.27Å; S173-S188 WeakPolarHBondContact O-CA 3.46Å; S173-S188 WeakPolarHBondContact O-CB 3.15Å; S173-S188 PolarHBondContact O-OG 3.07Å; S173-S188 VanDerWaalsContact O-OG 3.06Å; S188-D190 VanDerWaalsContact CB-OD1 3.26Å; S188-D190 WeakPolarHBondContact CB-OD1 3.48Å; S188-D190 PolarHBondContact O-N 2.88Å; S188-D190 VanDerWaalsContact OG-CG 3.27Å; S188-D190 PolarHBondContact OG-N 3.07Å; S188-D190 PolarHBondContact OG-OD1 3.36Å; S188-D190 PolarHBondContact OG-OD2 3.31Å; S188-S191 PolarHBondContact O-N 3.36Å; S188-T192 PolarHBondContact N-O 2.97Å; S188-V214 PolarHBondContact O-N 2.88Å
189	S	98.7	Very high	98	Very high	51 Å²	51	36.1 Å²	36.1	36%	0.357	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.9	169	73.4	0	0	0	0	113.8	G172 S173 S191	G172-S189 VanDerWaalsContact CA-OG 3.27Å; G172-S189 WeakPolarHBondContact CA-OG 3.24Å; S173-S189 PolarHBondContact N-OG 3.12Å; S173-S189 PolarHBondContact O-N 3.38Å; S189-S191 PolarHBondContact O-N 3.01Å
190	D	98.6	Very high	97.9	Very high	28 Å²	28	39.6 Å²	39.6	15%	0.15	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	7.1	171.2	67.9	18	0	0	0	114.3	H170 T171 S188 T192	H170-D190 WeakPolarHBondContact CA-OD2 3.43Å; H170-D190 IonicContact CE1-OD1 3.09Å; H170-D190 IonicContact CE1-OD2 2.63Å; H170-D190 IonicContact CG-OD2 3.07Å; H170-D190 IonicContact ND1-OD1 3.42Å; H170-D190 PolarHBondContact ND1-OD1 3.24Å; H170-D190 IonicContact ND1-OD2 3.17Å; H170-D190 PolarHBondContact ND1-OD2 2.59Å; T171-D190 PolarHBondContact N-OD2 2.76Å; T171-D190 WeakPolarHBondContact OG1-CB 3.44Å; T171-D190 PolarHBondContact OG1-OD2 3.21Å; S188-D190 VanDerWaalsContact CB-OD1 3.26Å; S188-D190 WeakPolarHBondContact CB-OD1 3.48Å; S188-D190 PolarHBondContact O-N 2.88Å; S188-D190 VanDerWaalsContact OG-CG 3.27Å; S188-D190 PolarHBondContact OG-N 3.07Å; S188-D190 PolarHBondContact OG-OD1 3.36Å; S188-D190 PolarHBondContact OG-OD2 3.31Å; D190-T192 VanDerWaalsContact CG-OG1 3.28Å; D190-T192 PolarHBondContact O-N 2.98Å; D190-T192 WeakPolarHBondContact OD1-CB 3.24Å; D190-T192 PolarHBondContact OD1-N 2.58Å; D190-T192 PolarHBondContact OD1-OG1 2.63Å; D190-T192 PolarHBondContact OD2-OG1 3.07Å
191	S	98.7	Very high	97.9	Very high	29 Å²	29	37.2 Å²	37.2	20%	0.203	20%	0.196	C	C	.	.	S	Bend	trans	69	7.2	179.9	-42.6	0	0	0	0	114.8	S188 S189 H210 E212	S188-S191 PolarHBondContact O-N 3.36Å; S189-S191 PolarHBondContact O-N 3.01Å; S191-H210 WeakPolarHBondContact CB-O 3.32Å; S191-E212 WeakPolarHBondContact CB-O 3.46Å; S191-E212 VanDerWaalsContact OG-CA 3.31Å; S191-E212 WeakPolarHBondContact OG-CA 3.28Å; S191-E212 PolarHBondContact OG-O 3.02Å
192	T	98.8	Very high	98	Very high	18 Å²	18	34.2 Å²	34.2	11%	0.11	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	152.5	178.1	71.6	0	0	0	0	112.6	H170 S188 D190 I208	H170-T192 PolarHBondContact CE1-OG1 2.97Å; H170-T192 PolarHBondContact ND1-OG1 3.23Å; S188-T192 PolarHBondContact N-O 2.97Å; D190-T192 VanDerWaalsContact CG-OG1 3.28Å; D190-T192 PolarHBondContact O-N 2.98Å; D190-T192 WeakPolarHBondContact OD1-CB 3.24Å; D190-T192 PolarHBondContact OD1-N 2.58Å; D190-T192 PolarHBondContact OD1-OG1 2.63Å; D190-T192 PolarHBondContact OD2-OG1 3.07Å; T192-I208 HydrophobicContact CG2-CG1 4.4Å
193	V	98.9	Very high	98.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.4	162.4	-179.2	0	0	0	0	108	I185 S186 S206 L207 V214 L217 M224 T226	I185-V193 HydrophobicContact CG2-CG1 3.53Å; S186-V193 CarbonylContact O-C 3.6Å; S186-V193 VanDerWaalsContact O-CA 3.24Å; S186-V193 WeakPolarHBondContact O-CA 3.41Å; V193-S206 CarbonylContact O-C 3.57Å; V193-S206 WeakPolarHBondContact O-CA 3.3Å; V193-L207 HydrophobicContact CB-CB 4.19Å; V193-L207 HydrophobicContact CB-CD1 4.22Å; V193-L207 HydrophobicContact CB-CG 4.46Å; V193-L207 HydrophobicContact CG1-CD1 4.24Å; V193-L207 PolarHBondContact N-O 3.34Å; V193-L207 PolarHBondContact O-N 2.86Å; V193-V214 HydrophobicContact CG2-CB 4.47Å; V193-V214 HydrophobicContact CG2-CG1 3.98Å; V193-V214 HydrophobicContact CG2-CG2 3.99Å; V193-L217 HydrophobicContact CG1-CD2 4.14Å; V193-M224 HydrophobicContact CG1-CE 4.44Å; V193-M224 HydrophobicContact CG1-SD 4.25Å; V193-T226 HydrophobicContact CG2-CG2 3.84Å
194	R	98.7	Very high	98.1	Very high	31 Å²	31	32.8 Å²	32.8	12%	0.117	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.6	179	-67.3	-177.8	-174.9	-152	11.4	111.3	G169 H170 I185 S186 W196 M203	G169-R194 VanDerWaalsContact CA-NH1 3.3Å; G169-R194 PolarHBondContact O-NH1 3.02Å; G169-R194 PolarHBondContact O-NH2 2.62Å; H170-R194 VanDerWaalsContact CE1-CD 3.47Å; H170-R194 WeakPolarHBondContact CE1-CD 3.41Å; H170-R194 PolarHBondContact ND1-NE 3.23Å; I185-R194 CarbonylContact C-O 3.47Å; I185-R194 VanDerWaalsContact CA-O 3.31Å; I185-R194 WeakPolarHBondContact CA-O 3.25Å; S186-R194 PolarHBondContact N-O 2.83Å; S186-R194 PolarHBondContact O-N 3.33Å; R194-W196 HydrophobicContact CB-CZ2 3.83Å; R194-W196 HydrophobicContact CG-CZ2 4.37Å; R194-M203 HydrophobicContact CG-SD 4.3Å; R194-M203 PolarHBondContact NH1-SD 3.47Å; R194-M203 VanDerWaalsContact NH1-SD 3.36Å
195	V	98.6	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.8	175.7	-173.8	0	0	0	0	107.8	V183 I184 I185 L204 T205 P241 I244	V183-V195 HydrophobicContact CB-CG1 3.89Å; V183-V195 HydrophobicContact CG1-CG1 3.79Å; V183-V195 HydrophobicContact CG2-CG1 4.41Å; I184-V195 CarbonylContact O-C 3.54Å; I184-V195 WeakPolarHBondContact O-CA 3.38Å; I185-V195 HydrophobicContact CG1-CG1 4.33Å; I185-V195 HydrophobicContact CG1-CG2 4.27Å; I185-V195 HydrophobicContact CG2-CG2 4.43Å; V195-L204 HydrophobicContact CG1-CB 4.5Å; V195-L204 HydrophobicContact CG1-CD1 4.39Å; V195-L204 PolarHBondContact O-N 3.49Å; V195-T205 HydrophobicContact CB-CG2 3.77Å; V195-T205 HydrophobicContact CG2-CG2 3.53Å; V195-T205 PolarHBondContact N-O 3.5Å; V195-T205 PolarHBondContact O-N 2.85Å; V195-P241 HydrophobicContact CG1-CB 4.11Å; V195-I244 HydrophobicContact CG2-CD1 3.74Å
196	W	98.6	Very high	98	Very high	6 Å²	6	36.3 Å²	36.3	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.5	-177.8	-40.8	78.2	0	0	0	108.7	I153 L167 H170 V183 I184 S186 R194 V198 V202 M203	I153-W196 HydrophobicContact CD1-CZ2 4.32Å; L167-W196 HydrophobicContact CB-CE3 4.16Å; L167-W196 HydrophobicContact CB-CZ3 4.16Å; L167-W196 HydrophobicContact CD1-CB 4.22Å; L167-W196 HydrophobicContact CD1-CD2 4.19Å; L167-W196 HydrophobicContact CD1-CE3 4.25Å; L167-W196 HydrophobicContact CD1-CG 4.17Å; H170-W196 AromaticContact CD2-CZ2 3.87Å; V183-W196 CarbonylContact C-O 3.54Å; V183-W196 WeakPolarHBondContact CA-O 3.45Å; V183-W196 WeakPolarHBondContact CB-O 3.23Å; I184-W196 HydrophobicContact CB-CB 4.23Å; I184-W196 PolarHBondContact N-O 2.86Å; I184-W196 VanDerWaalsContact O-CD1 3.3Å; I184-W196 PolarHBondContact O-N 2.94Å; S186-W196 PolarHBondContact OG-NE1 2.82Å; R194-W196 HydrophobicContact CB-CZ2 3.83Å; R194-W196 HydrophobicContact CG-CZ2 4.37Å; W196-V198 PolarHBondContact O-N 2.92Å; W196-V202 CarbonylContact C-O 3.53Å; W196-V202 VanDerWaalsContact CA-O 3.29Å; W196-V202 WeakPolarHBondContact CA-O 3.31Å; W196-M203 HydrophobicContact CD2-CB 4.39Å; W196-M203 HydrophobicContact CD2-CG 4.48Å; W196-M203 HydrophobicContact CE3-CB 3.68Å; W196-M203 HydrophobicContact CE3-CG 4.18Å; W196-M203 HydrophobicContact CH2-CB 4.47Å; W196-M203 HydrophobicContact CH2-CG 4.48Å; W196-M203 HydrophobicContact CZ3-CB 3.73Å; W196-M203 HydrophobicContact CZ3-CG 4.19Å
197	D	98	Very high	97.9	Very high	41 Å²	41	37.2 Å²	37.2	22%	0.219	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.3	168.5	179.9	-82.3	0	0	0	109.5	N199 T200 G201 V202 L204	D197-N199 PolarHBondContact O-N 2.74Å; D197-N199 PolarHBondContact OD1-N 2.92Å; D197-T200 VanDerWaalsContact CB-OG1 3.28Å; D197-T200 WeakPolarHBondContact CB-OG1 3.38Å; D197-T200 VanDerWaalsContact CG-OG1 3.26Å; D197-T200 PolarHBondContact OD1-N 2.96Å; D197-T200 PolarHBondContact OD1-OG1 2.8Å; D197-G201 VanDerWaalsContact O-CA 3.29Å; D197-G201 WeakPolarHBondContact O-CA 3.35Å; D197-G201 PolarHBondContact O-N 2.82Å; D197-V202 PolarHBondContact N-O 3.43Å; D197-L204 HydrophobicContact CB-CD1 4.06Å; D197-L204 HydrophobicContact CB-CD2 4.18Å; D197-L204 HydrophobicContact CB-CG 4.18Å
198	V	96.9	Very high	97.9	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.055	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.8	-172.5	71.3	0	0	0	0	113.3	Y179 D181 R182 I184 W196	Y179-V198 HydrophobicContact CD2-CG2 4.35Å; D181-V198 WeakPolarHBondContact O-CG1 3.39Å; R182-V198 VanDerWaalsContact C-CG1 3.5Å; R182-V198 WeakPolarHBondContact O-CG1 3.17Å; R182-V198 PolarHBondContact O-N 2.85Å; R182-V198 VanDerWaalsContact O-N 3.08Å; I184-V198 HydrophobicContact CD1-CG2 4.3Å; I184-V198 HydrophobicContact CG1-CB 4.23Å; I184-V198 HydrophobicContact CG1-CG2 3.96Å; W196-V198 PolarHBondContact O-N 2.92Å
199	N	95.7	Very high	97.9	Very high	129 Å²	129	47.5 Å²	47.5	69%	0.69	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-44.3	-173.3	-61.5	-58.3	0	0	0	111.7	D197	D197-N199 PolarHBondContact O-N 2.74Å; D197-N199 PolarHBondContact OD1-N 2.92Å
200	T	96.4	Very high	97.8	Very high	85 Å²	85	45.5 Å²	45.5	52%	0.521	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-23.9	-176.9	63.6	0	0	0	0	112.8	D197 V202	D197-T200 VanDerWaalsContact CB-OG1 3.28Å; D197-T200 WeakPolarHBondContact CB-OG1 3.38Å; D197-T200 VanDerWaalsContact CG-OG1 3.26Å; D197-T200 PolarHBondContact OD1-N 2.96Å; D197-T200 PolarHBondContact OD1-OG1 2.8Å; T200-V202 PolarHBondContact O-N 2.93Å; T200-V202 PolarHBondContact OG1-N 2.97Å
201	G	96.4	Very high	97.8	Very high	11 Å²	11	49.4 Å²	49.4	11%	0.113	28%	0.279	C	S	.	.			trans	76.1	5.2	-174.5	0	0	0	0	0	114.5	L167 D197	L167-G201 VanDerWaalsContact CD2-CA 3.48Å; D197-G201 VanDerWaalsContact O-CA 3.29Å; D197-G201 WeakPolarHBondContact O-CA 3.35Å; D197-G201 PolarHBondContact O-N 2.82Å
202	V	97.4	Very high	97.8	Very high	86 Å²	86	51.5 Å²	51.5	52%	0.521	29%	0.285	S	S	.	.			trans	-71.2	135.6	179.1	175.1	0	0	0	0	110.3	W196 D197 T200 L204	W196-V202 CarbonylContact C-O 3.53Å; W196-V202 VanDerWaalsContact CA-O 3.29Å; W196-V202 WeakPolarHBondContact CA-O 3.31Å; D197-V202 PolarHBondContact N-O 3.43Å; T200-V202 PolarHBondContact O-N 2.93Å; T200-V202 PolarHBondContact OG1-N 2.97Å; V202-L204 PolarHBondContact O-N 2.98Å
203	M	97.8	Very high	97.8	Very high	84 Å²	84	51.4 Å²	51.4	41%	0.414	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120.4	172.1	-170	-171.9	75.6	0	0	110	R194 W196	R194-M203 HydrophobicContact CG-SD 4.3Å; R194-M203 PolarHBondContact NH1-SD 3.47Å; R194-M203 VanDerWaalsContact NH1-SD 3.36Å; W196-M203 HydrophobicContact CD2-CB 4.39Å; W196-M203 HydrophobicContact CD2-CG 4.48Å; W196-M203 HydrophobicContact CE3-CB 3.68Å; W196-M203 HydrophobicContact CE3-CG 4.18Å; W196-M203 HydrophobicContact CH2-CB 4.47Å; W196-M203 HydrophobicContact CH2-CG 4.48Å; W196-M203 HydrophobicContact CZ3-CB 3.73Å; W196-M203 HydrophobicContact CZ3-CG 4.19Å
204	L	97.5	Very high	97.8	Very high	77 Å²	77	51.2 Å²	51.2	40%	0.403	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-45.9	-177.7	-61	177.5	0	0	0	112.3	V183 V195 D197 V202 P241	V183-L204 HydrophobicContact CG1-CD1 4.09Å; V195-L204 HydrophobicContact CG1-CB 4.5Å; V195-L204 HydrophobicContact CG1-CD1 4.39Å; V195-L204 PolarHBondContact O-N 3.49Å; D197-L204 HydrophobicContact CB-CD1 4.06Å; D197-L204 HydrophobicContact CB-CD2 4.18Å; D197-L204 HydrophobicContact CB-CG 4.18Å; V202-L204 PolarHBondContact O-N 2.98Å; L204-P241 HydrophobicContact CD1-CB 3.59Å; L204-P241 HydrophobicContact CD1-CG 4.31Å
205	T	97.2	Very high	97.8	Very high	32 Å²	32	51.5 Å²	51.5	20%	0.196	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161	177.7	-163.1	0	0	0	0	111.9	V195 L207 P241 I244	V195-T205 HydrophobicContact CB-CG2 3.77Å; V195-T205 HydrophobicContact CG2-CG2 3.53Å; V195-T205 PolarHBondContact N-O 3.5Å; V195-T205 PolarHBondContact O-N 2.85Å; T205-L207 HydrophobicContact CG2-CD2 4.26Å; T205-P241 WeakPolarHBondContact CG2-O 3.32Å; T205-I244 HydrophobicContact CG2-CD1 4.07Å
206	S	97.7	Very high	97.9	Very high	43 Å²	43	52.2 Å²	52.2	30%	0.301	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.4	175.6	-179.1	0	0	0	0	109.4	V193	V193-S206 CarbonylContact O-C 3.57Å; V193-S206 WeakPolarHBondContact O-CA 3.3Å
207	L	98.2	Very high	97.9	Very high	19 Å²	19	52 Å²	52	10%	0.099	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.8	179.8	-47	176.8	0	0	0	109.4	V193 T205 M224 W236 I244	V193-L207 HydrophobicContact CB-CB 4.19Å; V193-L207 HydrophobicContact CB-CD1 4.22Å; V193-L207 HydrophobicContact CB-CG 4.46Å; V193-L207 HydrophobicContact CG1-CD1 4.24Å; V193-L207 PolarHBondContact N-O 3.34Å; V193-L207 PolarHBondContact O-N 2.86Å; T205-L207 HydrophobicContact CG2-CD2 4.26Å; L207-M224 HydrophobicContact CD1-CE 3.51Å; L207-W236 HydrophobicContact CB-CH2 4.34Å; L207-W236 HydrophobicContact CD1-CD2 4.49Å; L207-W236 HydrophobicContact CD1-CE3 4.3Å; L207-W236 HydrophobicContact CD1-CZ3 4.32Å; L207-I244 HydrophobicContact CD1-CB 4.46Å; L207-I244 HydrophobicContact CD1-CD1 4.3Å; L207-I244 HydrophobicContact CD1-CG2 3.85Å; L207-I244 HydrophobicContact CD2-CB 4.08Å; L207-I244 HydrophobicContact CD2-CD1 4.49Å; L207-I244 HydrophobicContact CD2-CG2 4.26Å
208	I	97.9	Very high	97.9	Very high	147 Å²	147	52.5 Å²	52.5	75%	0.754	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.3	177.7	-57.7	173.4	0	0	0	107.1	T192	T192-I208 HydrophobicContact CG2-CG1 4.4Å
209	H	98.5	Very high	98	Very high	68 Å²	68	52.8 Å²	52.8	32%	0.315	29%	0.291	S	S	.	.			trans	-153.9	-54.5	-179.8	175.8	68	0	0	0	112.3	W236 L246	H209-W236 HydrophobicContact CB-CH2 3.52Å; H209-W236 HydrophobicContact CB-CZ2 4.02Å; H209-W236 AromaticContact CG-CH2 3.9Å; H209-L246 VanDerWaalsContact CE1-CD2 3.42Å; H209-L246 WeakPolarHBondContact CE1-CD2 3.36Å
210	H	98.5	Very high	98.1	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.046	27%	0.272	C	S	.	.			trans	-61.4	141.2	177.9	-76.9	-59.2	0	0	0	111.1	S191 V214 T226 S228 D230 S232	S191-H210 WeakPolarHBondContact CB-O 3.32Å; H210-V214 HydrophobicContact CB-CG2 4.15Å; H210-T226 PolarHBondContact NE2-OG1 2.8Å; H210-S228 VanDerWaalsContact ND1-CB 3.26Å; H210-S228 WeakPolarHBondContact ND1-CB 3.5Å; H210-D230 WeakPolarHBondContact CA-OD2 3.33Å; H210-D230 WeakPolarHBondContact CB-OD2 3.47Å; H210-D230 IonicContact CG-OD2 3.72Å; H210-D230 IonicContact ND1-OD1 3.53Å; H210-D230 IonicContact ND1-OD2 2.73Å; H210-D230 PolarHBondContact ND1-OD2 3.36Å; H210-S232 PolarHBondContact CE1-OG 2.77Å; H210-S232 VanDerWaalsContact CE1-OG 3.31Å; H210-S232 PolarHBondContact ND1-OG 3.47Å
211	C	98.1	Very high	98	Very high	109 Å²	109	51.4 Å²	51.4	74%	0.736	28%	0.279	S	S	*	.	S	Bend	trans	-88.8	-15.3	-178.1	-63.1	0	0	0	0	112.7	D230	C211-D230 HydrophobicContact CB-CB 4.36Å; C211-D230 PolarHBondContact N-OD2 2.85Å; C211-D230 VanDerWaalsContact N-OD2 3.12Å
212	E	98.8	Very high	97.9	Very high	73 Å²	73	52.8 Å²	52.8	34%	0.341	29%	0.293	S	S	.	.	S	Bend	trans	-136.7	174.8	176.3	-62.7	-170.5	77.7	0	0	110.6	S191 V214 S228 K229 D230	S191-E212 WeakPolarHBondContact CB-O 3.46Å; S191-E212 VanDerWaalsContact OG-CA 3.31Å; S191-E212 WeakPolarHBondContact OG-CA 3.28Å; S191-E212 PolarHBondContact OG-O 3.02Å; E212-V214 PolarHBondContact O-N 2.97Å; E212-S228 VanDerWaalsContact C-OG 3.32Å; E212-S228 PolarHBondContact O-OG 2.96Å; E212-K229 HydrophobicContact CB-CB 3.85Å; E212-K229 HydrophobicContact CB-CG 4.38Å; E212-K229 WeakPolarHBondContact OE1-CD 3.21Å; E212-K229 WeakPolarHBondContact OE1-CE 3.34Å; E212-K229 IonicContact OE1-NZ 2.94Å; E212-K229 PolarHBondContact OE1-NZ 2.78Å; E212-D230 HydrophobicContact CB-CB 4.14Å; E212-D230 HydrophobicContact CG-CB 4.27Å; E212-D230 WeakPolarHBondContact OE2-CA 3.48Å
213	A	98.8	Very high	98	Very high	16 Å²	16	50 Å²	50	13%	0.132	28%	0.275	C	S	.	.			trans	-39.4	127.2	180	0	0	0	0	0	114.5	L175 L215 S228 K229	L175-A213 HydrophobicContact CD1-CB 4.02Å; A213-L215 HydrophobicContact CB-CD2 4.12Å; A213-L215 PolarHBondContact O-N 2.78Å; A213-S228 WeakPolarHBondContact O-CA 3.16Å; A213-S228 WeakPolarHBondContact O-CB 3.34Å; A213-S228 PolarHBondContact O-OG 2.96Å; A213-K229 HydrophobicContact CB-CB 4.38Å; A213-K229 PolarHBondContact O-N 2.86Å
214	V	98.9	Very high	98	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	107.4	173.7	-174.1	0	0	0	0	108.6	S188 V193 H210 E212	S188-V214 PolarHBondContact O-N 2.88Å; V193-V214 HydrophobicContact CG2-CB 4.47Å; V193-V214 HydrophobicContact CG2-CG1 3.98Å; V193-V214 HydrophobicContact CG2-CG2 3.99Å; H210-V214 HydrophobicContact CB-CG2 4.15Å; E212-V214 PolarHBondContact O-N 2.97Å
215	L	98.9	Very high	98.1	Very high	36 Å²	36	42.4 Å²	42.4	19%	0.188	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-32.7	-169.9	-60.9	-176.8	0	0	0	112.4	L175 A213 C227 K229 A256 V257	L175-L215 HydrophobicContact CD1-CD2 3.76Å; A213-L215 HydrophobicContact CB-CD2 4.12Å; A213-L215 PolarHBondContact O-N 2.78Å; L215-C227 PolarHBondContact N-O 2.9Å; L215-K229 HydrophobicContact CD1-CB 4.13Å; L215-K229 HydrophobicContact CG-CB 4.35Å; L215-A256 HydrophobicContact CD1-CB 4.03Å; L215-V257 WeakPolarHBondContact CD1-O 3.49Å
216	H	98.9	Very high	98.2	Very high	16 Å²	16	40.9 Å²	40.9	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	152.5	-179.1	-155.3	-99.8	0	0	0	111.9	C176 C227 V260 R388	C176-H216 WeakPolarHBondContact SG-CA 3.45Å; H216-C227 PolarHBondContact N-O 2.91Å; H216-C227 PolarHBondContact O-N 2.73Å; H216-V260 PolarHBondContact CE1-O 2.82Å; H216-V260 VanDerWaalsContact CE1-O 3.3Å; H216-V260 PolarHBondContact ND1-N 3.47Å; H216-V260 PolarHBondContact ND1-O 2.9Å; H216-R388 PolarHBondContact NE2-NH1 3.46Å
217	L	98.8	Very high	98.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.6	173.6	68.7	87.1	0	0	0	110.5	Q178 I185 V193 V225 T226	Q178-L217 HydrophobicContact CB-CD1 4.11Å; I185-L217 HydrophobicContact CB-CD1 4.23Å; I185-L217 HydrophobicContact CG2-CD1 4.09Å; I185-L217 HydrophobicContact CG2-CD2 3.91Å; V193-L217 HydrophobicContact CG1-CD2 4.14Å; L217-V225 CarbonylContact C-O 3.49Å; L217-V225 VanDerWaalsContact CA-O 3.24Å; L217-V225 WeakPolarHBondContact CA-O 3.24Å; L217-T226 HydrophobicContact CB-CG2 3.78Å
218	R	98.8	Very high	98.3	Very high	51 Å²	51	37.9 Å²	37.9	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.4	167.7	-67	-71	-99.6	136.5	3.7	109.5	Q178 M224 V225 V260 D261 F262	Q178-R218 VanDerWaalsContact OE1-CA 3.23Å; R218-M224 CarbonylContact O-C 3.57Å; R218-M224 WeakPolarHBondContact O-CA 3.3Å; R218-V225 PolarHBondContact N-O 2.99Å; R218-V225 PolarHBondContact O-N 3.02Å; R218-V260 VanDerWaalsContact CG-O 3.31Å; R218-V260 WeakPolarHBondContact CG-O 3.4Å; R218-D261 IonicContact CZ-OD1 2.77Å; R218-D261 IonicContact NE-OD1 2.86Å; R218-D261 PolarHBondContact NE-OD1 2.83Å; R218-D261 IonicContact NH2-OD1 3.99Å; R218-D261 PolarHBondContact NH2-OD1 3.25Å; R218-F262 HydrophobicContact CB-CD1 3.92Å; R218-F262 HydrophobicContact CB-CE1 3.76Å; R218-F262 WeakPolarHBondContact O-CE1 3.47Å
219	F	98.4	Very high	98.3	Very high	15 Å²	15	35.9 Å²	35.9	7%	0.066	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.1	169.6	77.1	-85.8	0	0	0	111.2	Q178 D180 V183 I185 I223 M224 M238	Q178-F219 HydrophobicContact CB-CD1 3.92Å; Q178-F219 HydrophobicContact CB-CE1 3.7Å; Q178-F219 HydrophobicContact CG-CD1 3.9Å; Q178-F219 HydrophobicContact CG-CE1 3.56Å; Q178-F219 HydrophobicContact CG-CZ 4.37Å; Q178-F219 PolarHBondContact NE2-O 3.16Å; Q178-F219 PolarHBondContact OE1-O 3.48Å; D180-F219 HydrophobicContact CB-CE2 4.03Å; D180-F219 HydrophobicContact CB-CZ 3.94Å; D180-F219 WeakPolarHBondContact OD2-CE2 3.23Å; V183-F219 HydrophobicContact CG2-CE2 4.38Å; V183-F219 HydrophobicContact CG2-CZ 4.14Å; I185-F219 HydrophobicContact CB-CD1 4.36Å; I185-F219 HydrophobicContact CB-CE1 4.27Å; I185-F219 HydrophobicContact CD1-CB 4.41Å; I185-F219 HydrophobicContact CD1-CD1 3.59Å; I185-F219 HydrophobicContact CD1-CD2 4.27Å; I185-F219 HydrophobicContact CD1-CE1 3.79Å; I185-F219 HydrophobicContact CD1-CE2 4.46Å; I185-F219 HydrophobicContact CD1-CG 3.84Å; I185-F219 HydrophobicContact CD1-CZ 4.23Å; I185-F219 HydrophobicContact CG1-CD1 4.14Å; I185-F219 HydrophobicContact CG1-CE1 3.91Å; I185-F219 HydrophobicContact CG1-CZ 4.42Å; F219-I223 CarbonylContact C-O 3.6Å; F219-I223 WeakPolarHBondContact CA-O 3.49Å; F219-I223 WeakPolarHBondContact CB-O 3.31Å; F219-M224 HydrophobicContact CB-CB 3.76Å; F219-M224 HydrophobicContact CB-CG 4.08Å; F219-M238 HydrophobicContact CB-SD 4.31Å
220	Q	97.3	Very high	98.3	Very high	61 Å²	61	34.1 Å²	34.1	29%	0.285	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	155.9	171.6	71	-160.8	-19.4	0	0	108.9	G222 I223 F262	Q220-G222 PolarHBondContact O-N 2.95Å; Q220-G222 VanDerWaalsContact O-N 3.07Å; Q220-I223 PolarHBondContact N-O 2.96Å; Q220-I223 PolarHBondContact O-N 2.86Å; Q220-I223 VanDerWaalsContact O-O 3.06Å; Q220-F262 HydrophobicContact CB-CZ 4.46Å; Q220-F262 HydrophobicContact CG-CE1 4.39Å; Q220-F262 HydrophobicContact CG-CE2 3.65Å; Q220-F262 HydrophobicContact CG-CZ 3.59Å; Q220-F262 VanDerWaalsContact NE2-CE2 3.32Å; Q220-F262 PolarHBondContact NE2-O 2.78Å
221	N	94.7	Very high	98.3	Very high	125 Å²	125	40.3 Å²	40.3	67%	0.668	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	36.9	171.1	-58.8	-17.8	0	0	0	114.8	I223 D264	N221-I223 VanDerWaalsContact C-N 3.27Å; N221-I223 PolarHBondContact O-N 2.79Å; N221-D264 PolarHBondContact ND2-OD1 2.91Å
222	G	95.8	Very high	98.3	Very high	40 Å²	40	35.8 Å²	35.8	41%	0.412	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	8.4	179.4	0	0	0	0	0	115.1	Q220 M238	Q220-G222 PolarHBondContact O-N 2.95Å; Q220-G222 VanDerWaalsContact O-N 3.07Å; G222-M238 WeakPolarHBondContact O-CA 3.35Å; G222-M238 PolarHBondContact O-N 3.14Å
223	I	97.9	Very high	98.4	Very high	28 Å²	28	32.4 Å²	32.4	14%	0.144	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.6	173.8	-61.3	174.9	0	0	0	108.8	F219 Q220 N221 V225 V235 W236 F262 T281	F219-I223 CarbonylContact C-O 3.6Å; F219-I223 WeakPolarHBondContact CA-O 3.49Å; F219-I223 WeakPolarHBondContact CB-O 3.31Å; Q220-I223 PolarHBondContact N-O 2.96Å; Q220-I223 PolarHBondContact O-N 2.86Å; Q220-I223 VanDerWaalsContact O-O 3.06Å; N221-I223 VanDerWaalsContact C-N 3.27Å; N221-I223 PolarHBondContact O-N 2.79Å; I223-V225 HydrophobicContact CG2-CG2 4.34Å; I223-V235 HydrophobicContact CG2-CG1 4.1Å; I223-W236 WeakPolarHBondContact CA-O 3.35Å; I223-F262 HydrophobicContact CB-CE2 4.1Å; I223-F262 HydrophobicContact CB-CZ 4.25Å; I223-F262 HydrophobicContact CG2-CE2 4Å; I223-F262 HydrophobicContact CG2-CZ 4.15Å; I223-T281 HydrophobicContact CD1-CG2 4.33Å
224	M	98.7	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.2	167.2	173.7	-179.9	63.8	0	0	110.4	I185 V193 L207 R218 F219 T226 W236 M238 I244	I185-M224 HydrophobicContact CD1-SD 4.12Å; I185-M224 HydrophobicContact CG2-SD 3.82Å; V193-M224 HydrophobicContact CG1-CE 4.44Å; V193-M224 HydrophobicContact CG1-SD 4.25Å; L207-M224 HydrophobicContact CD1-CE 3.51Å; R218-M224 CarbonylContact O-C 3.57Å; R218-M224 WeakPolarHBondContact O-CA 3.3Å; F219-M224 HydrophobicContact CB-CB 3.76Å; F219-M224 HydrophobicContact CB-CG 4.08Å; M224-T226 HydrophobicContact CE-CG2 4.24Å; M224-T226 HydrophobicContact CG-CG2 4.11Å; M224-T226 HydrophobicContact SD-CG2 4.02Å; M224-W236 HydrophobicContact CB-CB 4.19Å; M224-W236 HydrophobicContact CE-CB 3.94Å; M224-W236 HydrophobicContact CE-CD2 4.08Å; M224-W236 HydrophobicContact CE-CG 3.63Å; M224-W236 PolarHBondContact N-O 3.22Å; M224-W236 PolarHBondContact O-N 3.46Å; M224-M238 HydrophobicContact CB-CG 3.99Å; M224-M238 HydrophobicContact CB-SD 3.5Å; M224-M238 WeakPolarHBondContact CB-SD 3.25Å; M224-M238 HydrophobicContact CE-SD 4.3Å; M224-M238 HydrophobicContact CG-SD 4.34Å; M224-M238 HydrophobicContact SD-SD 4.12Å; M224-I244 HydrophobicContact CE-CG2 4.17Å
225	V	98.9	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.5	173.7	-171.4	0	0	0	0	108.6	L217 R218 I223 I233 A234 V235 V260 F262 I267	L217-V225 CarbonylContact C-O 3.49Å; L217-V225 VanDerWaalsContact CA-O 3.24Å; L217-V225 WeakPolarHBondContact CA-O 3.24Å; R218-V225 PolarHBondContact N-O 2.99Å; R218-V225 PolarHBondContact O-N 3.02Å; I223-V225 HydrophobicContact CG2-CG2 4.34Å; V225-I233 HydrophobicContact CG1-CG2 3.42Å; V225-I233 VanDerWaalsContact CG1-CG2 3.42Å; V225-A234 CarbonylContact C-O 3.56Å; V225-A234 WeakPolarHBondContact CA-O 3.43Å; V225-V235 HydrophobicContact CG1-CG2 4.45Å; V225-V235 HydrophobicContact CG2-CG1 4.49Å; V225-V235 HydrophobicContact CG2-CG2 4.46Å; V225-V260 HydrophobicContact CB-CG1 4.46Å; V225-V260 HydrophobicContact CB-CG2 4.34Å; V225-V260 HydrophobicContact CG1-CB 4.46Å; V225-V260 HydrophobicContact CG1-CG1 4.17Å; V225-V260 HydrophobicContact CG1-CG2 3.57Å; V225-F262 HydrophobicContact CB-CD1 4.26Å; V225-F262 HydrophobicContact CB-CE1 4.41Å; V225-F262 HydrophobicContact CG2-CD1 3.79Å; V225-F262 HydrophobicContact CG2-CE1 3.94Å; V225-F262 HydrophobicContact CG2-CG 4.09Å; V225-F262 HydrophobicContact CG2-CZ 4.34Å; V225-I267 HydrophobicContact CG1-CG2 4.03Å; V225-I267 HydrophobicContact CG2-CD1 4.1Å; V225-I267 HydrophobicContact CG2-CG1 4.3Å
226	T	98.9	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148.6	178	60.1	0	0	0	0	109.9	V193 H210 L217 M224 I233 A234 W236	V193-T226 HydrophobicContact CG2-CG2 3.84Å; H210-T226 PolarHBondContact NE2-OG1 2.8Å; L217-T226 HydrophobicContact CB-CG2 3.78Å; M224-T226 HydrophobicContact CE-CG2 4.24Å; M224-T226 HydrophobicContact CG-CG2 4.11Å; M224-T226 HydrophobicContact SD-CG2 4.02Å; T226-I233 CarbonylContact O-C 3.55Å; T226-I233 VanDerWaalsContact O-CA 3.26Å; T226-I233 WeakPolarHBondContact O-CA 3.41Å; T226-I233 WeakPolarHBondContact O-CG2 3.45Å; T226-A234 PolarHBondContact N-O 2.94Å; T226-A234 PolarHBondContact O-N 3.38Å; T226-W236 PolarHBondContact OG1-NE1 3.46Å
227	C	98.9	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.9	174.2	77	0	0	0	0	111.7	L215 H216 I233 V257 V260	L215-C227 PolarHBondContact N-O 2.9Å; H216-C227 PolarHBondContact N-O 2.91Å; H216-C227 PolarHBondContact O-N 2.73Å; C227-I233 HydrophobicContact CB-CG1 4.02Å; C227-V257 HydrophobicContact CB-CB 3.8Å; C227-V257 HydrophobicContact CB-CG1 3.59Å; C227-V257 PolarHBondContact SG-O 3.1Å; C227-V260 HydrophobicContact CB-CB 4.29Å; C227-V260 HydrophobicContact CB-CG1 4.31Å
228	S	98.9	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	163.9	-169.2	170.2	0	0	0	0	113.2	H210 E212 A213 D230 R231 S232 V257	H210-S228 VanDerWaalsContact ND1-CB 3.26Å; H210-S228 WeakPolarHBondContact ND1-CB 3.5Å; E212-S228 VanDerWaalsContact C-OG 3.32Å; E212-S228 PolarHBondContact O-OG 2.96Å; A213-S228 WeakPolarHBondContact O-CA 3.16Å; A213-S228 WeakPolarHBondContact O-CB 3.34Å; A213-S228 PolarHBondContact O-OG 2.96Å; S228-D230 VanDerWaalsContact CB-OD1 3.3Å; S228-D230 WeakPolarHBondContact CB-OD1 3.42Å; S228-D230 PolarHBondContact O-N 3.11Å; S228-D230 VanDerWaalsContact OG-CG 3.25Å; S228-D230 PolarHBondContact OG-N 3.16Å; S228-D230 VanDerWaalsContact OG-N 3.12Å; S228-D230 PolarHBondContact OG-OD1 3.05Å; S228-D230 PolarHBondContact OG-OD2 3.38Å; S228-R231 PolarHBondContact O-N 2.61Å; S228-S232 PolarHBondContact N-O 3Å; S228-V257 PolarHBondContact O-N 2.98Å; S228-V257 VanDerWaalsContact O-N 3.14Å
229	K	98.8	Very high	98.1	Very high	104 Å²	104	35.7 Å²	35.7	45%	0.452	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24	167.5	-174.1	175.1	172.9	-114.3	0	112.6	E212 A213 L215 R231 A256	E212-K229 HydrophobicContact CB-CB 3.85Å; E212-K229 HydrophobicContact CB-CG 4.38Å; E212-K229 WeakPolarHBondContact OE1-CD 3.21Å; E212-K229 WeakPolarHBondContact OE1-CE 3.34Å; E212-K229 IonicContact OE1-NZ 2.94Å; E212-K229 PolarHBondContact OE1-NZ 2.78Å; A213-K229 HydrophobicContact CB-CB 4.38Å; A213-K229 PolarHBondContact O-N 2.86Å; L215-K229 HydrophobicContact CD1-CB 4.13Å; L215-K229 HydrophobicContact CG-CB 4.35Å; K229-R231 PolarHBondContact O-N 3.31Å; K229-A256 HydrophobicContact CB-CB 4.41Å; K229-A256 HydrophobicContact CG-CB 4.16Å
230	D	98.6	Very high	97.9	Very high	31 Å²	31	37.9 Å²	37.9	17%	0.166	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-1.8	175.2	69.7	18.3	0	0	0	114.3	H210 C211 E212 S228 S232	H210-D230 WeakPolarHBondContact CA-OD2 3.33Å; H210-D230 WeakPolarHBondContact CB-OD2 3.47Å; H210-D230 IonicContact CG-OD2 3.72Å; H210-D230 IonicContact ND1-OD1 3.53Å; H210-D230 IonicContact ND1-OD2 2.73Å; H210-D230 PolarHBondContact ND1-OD2 3.36Å; C211-D230 HydrophobicContact CB-CB 4.36Å; C211-D230 PolarHBondContact N-OD2 2.85Å; C211-D230 VanDerWaalsContact N-OD2 3.12Å; E212-D230 HydrophobicContact CB-CB 4.14Å; E212-D230 HydrophobicContact CG-CB 4.27Å; E212-D230 WeakPolarHBondContact OE2-CA 3.48Å; S228-D230 VanDerWaalsContact CB-OD1 3.3Å; S228-D230 WeakPolarHBondContact CB-OD1 3.42Å; S228-D230 PolarHBondContact O-N 3.11Å; S228-D230 VanDerWaalsContact OG-CG 3.25Å; S228-D230 PolarHBondContact OG-N 3.16Å; S228-D230 VanDerWaalsContact OG-N 3.12Å; S228-D230 PolarHBondContact OG-OD1 3.05Å; S228-D230 PolarHBondContact OG-OD2 3.38Å; D230-S232 VanDerWaalsContact C-N 3.3Å; D230-S232 VanDerWaalsContact CG-OG 3.27Å; D230-S232 WeakPolarHBondContact OD1-CA 3.37Å; D230-S232 VanDerWaalsContact OD1-CB 3.28Å; D230-S232 WeakPolarHBondContact OD1-CB 2.98Å; D230-S232 PolarHBondContact OD1-N 2.92Å; D230-S232 PolarHBondContact OD1-OG 3.32Å; D230-S232 PolarHBondContact OD2-OG 2.91Å
231	R	98.8	Very high	97.7	Very high	141 Å²	141	36.8 Å²	36.8	53%	0.532	20%	0.196	S	C	.	.	S	Bend	trans	78.3	6.3	177	-43	173	-76	-174	-3.1	114.4	S228 K229	S228-R231 PolarHBondContact O-N 2.61Å; K229-R231 PolarHBondContact O-N 3.31Å
232	S	98.7	Very high	97.6	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	160	178.2	75	0	0	0	0	112.6	H210 S228 D230	H210-S232 PolarHBondContact CE1-OG 2.77Å; H210-S232 VanDerWaalsContact CE1-OG 3.31Å; H210-S232 PolarHBondContact ND1-OG 3.47Å; S228-S232 PolarHBondContact N-O 3Å; D230-S232 VanDerWaalsContact C-N 3.3Å; D230-S232 VanDerWaalsContact CG-OG 3.27Å; D230-S232 WeakPolarHBondContact OD1-CA 3.37Å; D230-S232 VanDerWaalsContact OD1-CB 3.28Å; D230-S232 WeakPolarHBondContact OD1-CB 2.98Å; D230-S232 PolarHBondContact OD1-N 2.92Å; D230-S232 PolarHBondContact OD1-OG 3.32Å; D230-S232 PolarHBondContact OD2-OG 2.91Å
233	I	98.9	Very high	97.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.5	167.8	-58.9	151.1	0	0	0	106.4	V225 T226 C227 V249 L250 V257 V260 S269 W279	V225-I233 HydrophobicContact CG1-CG2 3.42Å; V225-I233 VanDerWaalsContact CG1-CG2 3.42Å; T226-I233 CarbonylContact O-C 3.55Å; T226-I233 VanDerWaalsContact O-CA 3.26Å; T226-I233 WeakPolarHBondContact O-CA 3.41Å; T226-I233 WeakPolarHBondContact O-CG2 3.45Å; C227-I233 HydrophobicContact CB-CG1 4.02Å; I233-V249 CarbonylContact O-C 3.57Å; I233-V249 WeakPolarHBondContact O-CA 3.13Å; I233-L250 HydrophobicContact CB-CB 4.1Å; I233-L250 HydrophobicContact CB-CD1 4.34Å; I233-L250 HydrophobicContact CB-CG 4.28Å; I233-L250 HydrophobicContact CD1-CB 4.45Å; I233-L250 HydrophobicContact CG2-CD1 4.06Å; I233-L250 HydrophobicContact CG2-CG 4.35Å; I233-L250 PolarHBondContact N-O 3.49Å; I233-L250 VanDerWaalsContact N-O 3.12Å; I233-L250 PolarHBondContact O-N 3.29Å; I233-V257 HydrophobicContact CD1-CG1 4.32Å; I233-V257 HydrophobicContact CG1-CG1 4.02Å; I233-V257 HydrophobicContact CG1-CG2 4.28Å; I233-V260 HydrophobicContact CG2-CG2 4.48Å; I233-S269 WeakPolarHBondContact CD1-OG 3.3Å; I233-W279 HydrophobicContact CD1-CZ2 4.41Å
234	A	98.9	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.1	175.3	0	0	0	0	0	109.8	V225 T226 W236 L246	V225-A234 CarbonylContact C-O 3.56Å; V225-A234 WeakPolarHBondContact CA-O 3.43Å; T226-A234 PolarHBondContact N-O 2.94Å; T226-A234 PolarHBondContact O-N 3.38Å; A234-W236 HydrophobicContact CB-CZ2 3.78Å; A234-W236 VanDerWaalsContact O-CD1 3.3Å; A234-W236 PolarHBondContact O-NE1 3.45Å; A234-L246 HydrophobicContact CB-CD1 3.72Å
235	V	98.8	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.2	175.6	-175.3	0	0	0	0	107.9	I223 V225 R247 R248 L250 I267	I223-V235 HydrophobicContact CG2-CG1 4.1Å; V225-V235 HydrophobicContact CG1-CG2 4.45Å; V225-V235 HydrophobicContact CG2-CG1 4.49Å; V225-V235 HydrophobicContact CG2-CG2 4.46Å; V235-R247 HydrophobicContact CG1-CB 4.42Å; V235-R247 WeakPolarHBondContact O-CA 3.46Å; V235-R247 WeakPolarHBondContact O-CB 3.34Å; V235-R247 PolarHBondContact O-N 3.04Å; V235-R248 PolarHBondContact N-O 3.37Å; V235-R248 PolarHBondContact O-N 3.33Å; V235-L250 HydrophobicContact CG2-CD1 4.12Å; V235-L250 HydrophobicContact CG2-CD2 4.3Å; V235-L250 HydrophobicContact CG2-CG 4.17Å; V235-I267 HydrophobicContact CG2-CD1 3.74Å
236	W	98.7	Very high	97.6	Very high	15 Å²	15	42.9 Å²	42.9	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.1	-170.3	-49.4	82.3	0	0	0	110.9	L207 H209 I223 M224 T226 A234 I244 S245 L246	L207-W236 HydrophobicContact CB-CH2 4.34Å; L207-W236 HydrophobicContact CD1-CD2 4.49Å; L207-W236 HydrophobicContact CD1-CE3 4.3Å; L207-W236 HydrophobicContact CD1-CZ3 4.32Å; H209-W236 HydrophobicContact CB-CH2 3.52Å; H209-W236 HydrophobicContact CB-CZ2 4.02Å; H209-W236 AromaticContact CG-CH2 3.9Å; I223-W236 WeakPolarHBondContact CA-O 3.35Å; M224-W236 HydrophobicContact CB-CB 4.19Å; M224-W236 HydrophobicContact CE-CB 3.94Å; M224-W236 HydrophobicContact CE-CD2 4.08Å; M224-W236 HydrophobicContact CE-CG 3.63Å; M224-W236 PolarHBondContact N-O 3.22Å; M224-W236 PolarHBondContact O-N 3.46Å; T226-W236 PolarHBondContact OG1-NE1 3.46Å; A234-W236 HydrophobicContact CB-CZ2 3.78Å; A234-W236 VanDerWaalsContact O-CD1 3.3Å; A234-W236 PolarHBondContact O-NE1 3.45Å; W236-I244 HydrophobicContact CB-CG2 3.98Å; W236-I244 HydrophobicContact CD2-CG2 4.49Å; W236-I244 HydrophobicContact CE3-CG2 4.07Å; W236-S245 CarbonylContact C-O 3.54Å; W236-S245 VanDerWaalsContact CA-O 3.22Å; W236-S245 WeakPolarHBondContact CA-O 3.47Å; W236-L246 HydrophobicContact CD2-CD1 4.2Å; W236-L246 HydrophobicContact CE3-CB 4.02Å; W236-L246 HydrophobicContact CE3-CD1 4.2Å; W236-L246 HydrophobicContact CH2-CD1 4.27Å; W236-L246 HydrophobicContact CZ2-CD1 4.24Å; W236-L246 HydrophobicContact CZ3-CB 3.95Å; W236-L246 HydrophobicContact CZ3-CD1 4.24Å
237	D	98.2	Very high	97.5	Very high	41 Å²	41	47.8 Å²	47.8	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	123	167.1	-74.7	-50.6	0	0	0	109.2	I244 S245 R247	D237-I244 VanDerWaalsContact O-CA 3.3Å; D237-I244 WeakPolarHBondContact O-CA 3.4Å; D237-S245 PolarHBondContact N-O 2.88Å; D237-S245 PolarHBondContact O-N 3.18Å; D237-R247 VanDerWaalsContact CG-NE 3.32Å; D237-R247 IonicContact OD1-CZ 3.61Å; D237-R247 IonicContact OD1-NE 3.49Å; D237-R247 PolarHBondContact OD1-NE 2.91Å; D237-R247 IonicContact OD1-NH2 2.85Å; D237-R247 PolarHBondContact OD1-NH2 3.1Å; D237-R247 WeakPolarHBondContact OD2-CB 3.48Å; D237-R247 IonicContact OD2-CZ 2.94Å; D237-R247 IonicContact OD2-NE 3.66Å; D237-R247 PolarHBondContact OD2-NE 3.18Å; D237-R247 IonicContact OD2-NH2 3.59Å
238	M	96.8	Very high	97.5	Very high	24 Å²	24	52.7 Å²	52.7	12%	0.118	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	88.5	-179.2	-69.9	-165.3	56.1	0	0	110.6	I185 F219 G222 M224 I244	I185-M238 HydrophobicContact CD1-CE 3.57Å; I185-M238 HydrophobicContact CD1-SD 3.73Å; F219-M238 HydrophobicContact CB-SD 4.31Å; G222-M238 WeakPolarHBondContact O-CA 3.35Å; G222-M238 PolarHBondContact O-N 3.14Å; M224-M238 HydrophobicContact CB-CG 3.99Å; M224-M238 HydrophobicContact CB-SD 3.5Å; M224-M238 WeakPolarHBondContact CB-SD 3.25Å; M224-M238 HydrophobicContact CE-SD 4.3Å; M224-M238 HydrophobicContact CG-SD 4.34Å; M224-M238 HydrophobicContact SD-SD 4.12Å; M238-I244 HydrophobicContact CE-CD1 3.67Å; M238-I244 HydrophobicContact CE-CG1 4.24Å; M238-I244 HydrophobicContact CG-CD1 4.13Å; M238-I244 HydrophobicContact CG-CG1 3.99Å; M238-I244 HydrophobicContact CG-CG2 3.95Å; M238-I244 HydrophobicContact SD-CD1 4.2Å
239	V	96.1	Very high	97.5	Very high	110 Å²	110	55.4 Å²	55.4	67%	0.667	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	-42.8	177.8	-179.4	0	0	0	0	110.3	D243	V239-D243 HydrophobicContact CB-CB 4.27Å; V239-D243 PolarHBondContact N-O 2.83Å
240	N	94.1	Very high	97.5	Very high	61 Å²	61	50.7 Å²	50.7	33%	0.326	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	170.6	173	64.5	68.1	0	0	0	109.5	S242 D243	N240-S242 PolarHBondContact O-N 3.46Å; N240-S242 WeakPolarHBondContact OD1-CA 3.42Å; N240-S242 PolarHBondContact OD1-N 2.96Å; N240-S242 PolarHBondContact OD1-OG 2.76Å; N240-D243 VanDerWaalsContact ND2-CB 3.3Å; N240-D243 WeakPolarHBondContact ND2-CB 3.32Å; N240-D243 CarbonylContact O-C 3.6Å; N240-D243 PolarHBondContact O-N 3.5Å; N240-D243 WeakPolarHBondContact OD1-CB 3.31Å; N240-D243 PolarHBondContact OD1-N 2.81Å
241	P	93.9	Very high	97.4	Very high	38 Å²	38	54.6 Å²	54.6	25%	0.247	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.9	-176.6	-29.7	38.4	0	0	0	115.9	V183 V195 L204 T205	V183-P241 HydrophobicContact CG1-CB 3.83Å; V183-P241 HydrophobicContact CG1-CG 3.53Å; V195-P241 HydrophobicContact CG1-CB 4.11Å; L204-P241 HydrophobicContact CD1-CB 3.59Å; L204-P241 HydrophobicContact CD1-CG 4.31Å; T205-P241 WeakPolarHBondContact CG2-O 3.32Å
242	S	92.8	Very high	97.4	Very high	94 Å²	94	49.5 Å²	49.5	66%	0.657	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-12.3	177.5	45.5	0	0	0	0	114.4	N240	N240-S242 PolarHBondContact O-N 3.46Å; N240-S242 WeakPolarHBondContact OD1-CA 3.42Å; N240-S242 PolarHBondContact OD1-N 2.96Å; N240-S242 PolarHBondContact OD1-OG 2.76Å
243	D	96.2	Very high	97.4	Very high	76 Å²	76	49.4 Å²	49.4	41%	0.406	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	87.5	-177.6	-173.2	7.5	0	0	0	109.3	V239 N240	V239-D243 HydrophobicContact CB-CB 4.27Å; V239-D243 PolarHBondContact N-O 2.83Å; N240-D243 VanDerWaalsContact ND2-CB 3.3Å; N240-D243 WeakPolarHBondContact ND2-CB 3.32Å; N240-D243 CarbonylContact O-C 3.6Å; N240-D243 PolarHBondContact O-N 3.5Å; N240-D243 WeakPolarHBondContact OD1-CB 3.31Å; N240-D243 PolarHBondContact OD1-N 2.81Å
244	I	98.1	Very high	97.4	Very high	23 Å²	23	59.7 Å²	59.7	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.5	-179.9	-54.3	179.7	0	0	0	107.9	V195 T205 L207 M224 W236 D237 M238	V195-I244 HydrophobicContact CG2-CD1 3.74Å; T205-I244 HydrophobicContact CG2-CD1 4.07Å; L207-I244 HydrophobicContact CD1-CB 4.46Å; L207-I244 HydrophobicContact CD1-CD1 4.3Å; L207-I244 HydrophobicContact CD1-CG2 3.85Å; L207-I244 HydrophobicContact CD2-CB 4.08Å; L207-I244 HydrophobicContact CD2-CD1 4.49Å; L207-I244 HydrophobicContact CD2-CG2 4.26Å; M224-I244 HydrophobicContact CE-CG2 4.17Å; W236-I244 HydrophobicContact CB-CG2 3.98Å; W236-I244 HydrophobicContact CD2-CG2 4.49Å; W236-I244 HydrophobicContact CE3-CG2 4.07Å; D237-I244 VanDerWaalsContact O-CA 3.3Å; D237-I244 WeakPolarHBondContact O-CA 3.4Å; M238-I244 HydrophobicContact CE-CD1 3.67Å; M238-I244 HydrophobicContact CE-CG1 4.24Å; M238-I244 HydrophobicContact CG-CD1 4.13Å; M238-I244 HydrophobicContact CG-CG1 3.99Å; M238-I244 HydrophobicContact CG-CG2 3.95Å; M238-I244 HydrophobicContact SD-CD1 4.2Å
245	S	98	Very high	97.3	Very high	57 Å²	57	61.1 Å²	61.1	40%	0.399	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.5	-177.1	71.6	0	0	0	0	111.3	W236 D237 R247	W236-S245 CarbonylContact C-O 3.54Å; W236-S245 VanDerWaalsContact CA-O 3.22Å; W236-S245 WeakPolarHBondContact CA-O 3.47Å; D237-S245 PolarHBondContact N-O 2.88Å; D237-S245 PolarHBondContact O-N 3.18Å; S245-R247 PolarHBondContact O-N 3.44Å
246	L	98.4	Very high	97.3	Very high	71 Å²	71	62.3 Å²	62.3	37%	0.372	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116.6	176.8	179.3	70.1	0	0	0	109.4	H209 A234 W236 V249	H209-L246 VanDerWaalsContact CE1-CD2 3.42Å; H209-L246 WeakPolarHBondContact CE1-CD2 3.36Å; A234-L246 HydrophobicContact CB-CD1 3.72Å; W236-L246 HydrophobicContact CD2-CD1 4.2Å; W236-L246 HydrophobicContact CE3-CB 4.02Å; W236-L246 HydrophobicContact CE3-CD1 4.2Å; W236-L246 HydrophobicContact CH2-CD1 4.27Å; W236-L246 HydrophobicContact CZ2-CD1 4.24Å; W236-L246 HydrophobicContact CZ3-CB 3.95Å; W236-L246 HydrophobicContact CZ3-CD1 4.24Å; L246-V249 HydrophobicContact CD1-CG2 4.21Å; L246-V249 HydrophobicContact CD2-CG2 3.92Å; L246-V249 HydrophobicContact CG-CG2 4.48Å
247	R	97.6	Very high	97.4	Very high	103 Å²	103	61.6 Å²	61.6	39%	0.389	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-52.1	176.7	-179	-173.3	-78.9	-160.4	-3.5	111.7	V235 D237 S245	V235-R247 HydrophobicContact CG1-CB 4.42Å; V235-R247 WeakPolarHBondContact O-CA 3.46Å; V235-R247 WeakPolarHBondContact O-CB 3.34Å; V235-R247 PolarHBondContact O-N 3.04Å; D237-R247 VanDerWaalsContact CG-NE 3.32Å; D237-R247 IonicContact OD1-CZ 3.61Å; D237-R247 IonicContact OD1-NE 3.49Å; D237-R247 PolarHBondContact OD1-NE 2.91Å; D237-R247 IonicContact OD1-NH2 2.85Å; D237-R247 PolarHBondContact OD1-NH2 3.1Å; D237-R247 WeakPolarHBondContact OD2-CB 3.48Å; D237-R247 IonicContact OD2-CZ 2.94Å; D237-R247 IonicContact OD2-NE 3.66Å; D237-R247 PolarHBondContact OD2-NE 3.18Å; D237-R247 IonicContact OD2-NH2 3.59Å; S245-R247 PolarHBondContact O-N 3.44Å
248	R	98.3	Very high	97.4	Very high	103 Å²	103	61.8 Å²	61.8	39%	0.389	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	152.6	-179	-159.4	175.4	-68.6	-163.1	-4.5	112	V235 L250 S283 C284 E285	V235-R248 PolarHBondContact N-O 3.37Å; V235-R248 PolarHBondContact O-N 3.33Å; R248-L250 HydrophobicContact CB-CD2 4.42Å; R248-L250 HydrophobicContact CG-CD2 4.24Å; R248-S283 PolarHBondContact NH1-O 3.08Å; R248-S283 PolarHBondContact NH2-O 3.33Å; R248-C284 HydrophobicContact CB-CB 4.27Å; R248-C284 VanDerWaalsContact CD-CB 3.48Å; R248-C284 HydrophobicContact CG-CB 4.39Å; R248-E285 IonicContact CZ-OE1 2.66Å; R248-E285 IonicContact NH1-OE1 3.36Å; R248-E285 PolarHBondContact NH1-OE1 3.06Å
249	V	98.7	Very high	97.5	Very high	57 Å²	57	60.9 Å²	60.9	35%	0.345	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.7	167.8	-175.9	0	0	0	0	109.1	I233 L246 V251	I233-V249 CarbonylContact O-C 3.57Å; I233-V249 WeakPolarHBondContact O-CA 3.13Å; L246-V249 HydrophobicContact CD1-CG2 4.21Å; L246-V249 HydrophobicContact CD2-CG2 3.92Å; L246-V249 HydrophobicContact CG-CG2 4.48Å; V249-V251 HydrophobicContact CG1-CG2 4.07Å
250	L	98.6	Very high	97.6	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	176.1	-34.7	-179.5	0	0	0	109	I233 V235 R248 I267 W279 C284	I233-L250 HydrophobicContact CB-CB 4.1Å; I233-L250 HydrophobicContact CB-CD1 4.34Å; I233-L250 HydrophobicContact CB-CG 4.28Å; I233-L250 HydrophobicContact CD1-CB 4.45Å; I233-L250 HydrophobicContact CG2-CD1 4.06Å; I233-L250 HydrophobicContact CG2-CG 4.35Å; I233-L250 PolarHBondContact N-O 3.49Å; I233-L250 VanDerWaalsContact N-O 3.12Å; I233-L250 PolarHBondContact O-N 3.29Å; V235-L250 HydrophobicContact CG2-CD1 4.12Å; V235-L250 HydrophobicContact CG2-CD2 4.3Å; V235-L250 HydrophobicContact CG2-CG 4.17Å; R248-L250 HydrophobicContact CB-CD2 4.42Å; R248-L250 HydrophobicContact CG-CD2 4.24Å; L250-I267 HydrophobicContact CD1-CD1 4.3Å; L250-W279 HydrophobicContact CB-CD2 4.38Å; L250-W279 HydrophobicContact CB-CE3 4.25Å; L250-W279 HydrophobicContact CB-CH2 4.32Å; L250-W279 HydrophobicContact CB-CZ2 4.42Å; L250-W279 HydrophobicContact CB-CZ3 4.22Å; L250-W279 HydrophobicContact CD1-CB 4.13Å; L250-W279 HydrophobicContact CD1-CD2 3.9Å; L250-W279 HydrophobicContact CD1-CE3 4.3Å; L250-W279 HydrophobicContact CD1-CG 3.8Å; L250-C284 HydrophobicContact CD2-CB 3.73Å
251	V	97.9	Very high	97.8	Very high	113 Å²	113	52.9 Å²	52.9	69%	0.685	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.6	179.9	-175.4	0	0	0	0	108.7	V249	V249-V251 HydrophobicContact CG1-CG2 4.07Å
252	G	97.3	Very high	98.1	Very high	34 Å²	34	51.5 Å²	51.5	35%	0.351	28%	0.276	S	S	.	.			trans	166.6	-19.3	176.3	0	0	0	0	0	114.9	K277	G252-K277 VanDerWaalsContact O-CE 3.28Å; G252-K277 WeakPolarHBondContact O-CE 3.24Å
253	H	98.7	Very high	98.3	Very high	12 Å²	12	49 Å²	49	6%	0.056	26%	0.255	C	S	.	.			trans	-73.2	144.7	170.9	-81.3	-63	0	0	0	111.5	V257 S269 S271 D273 T275	H253-V257 HydrophobicContact CB-CG2 3.79Å; H253-S269 PolarHBondContact NE2-OG 3.26Å; H253-S271 VanDerWaalsContact CE1-CB 3.5Å; H253-S271 WeakPolarHBondContact CE1-CB 3.37Å; H253-S271 WeakPolarHBondContact ND1-CB 3.16Å; H253-D273 VanDerWaalsContact CA-OD2 3.28Å; H253-D273 WeakPolarHBondContact CA-OD2 3.4Å; H253-D273 IonicContact CE1-OD1 3.92Å; H253-D273 IonicContact CG-OD2 3.36Å; H253-D273 IonicContact ND1-OD1 3.12Å; H253-D273 PolarHBondContact ND1-OD1 2.9Å; H253-D273 IonicContact ND1-OD2 3.58Å; H253-D273 PolarHBondContact ND1-OD2 3.3Å; H253-T275 PolarHBondContact CE1-OG1 2.96Å; H253-T275 PolarHBondContact ND1-OG1 3.03Å
254	R	98.5	Very high	98.4	Very high	216 Å²	216	50.7 Å²	50.7	82%	0.815	26%	0.264	S	S	*	.	S	Bend	trans	-96.5	-8.1	-177.1	-61.7	-178.7	-176.3	-114.2	1.1	113.3	D273	R254-D273 HydrophobicContact CB-CB 4.06Å; R254-D273 PolarHBondContact N-OD2 3.35Å
255	A	98.7	Very high	98.4	Very high	31 Å²	31	54.1 Å²	54.1	26%	0.256	28%	0.278	S	S	.	.	S	Bend	trans	-143.6	177	176.6	0	0	0	0	0	110.1	V257 S271 D273	A255-V257 PolarHBondContact O-N 3.44Å; A255-S271 PolarHBondContact O-OG 2.92Å; A255-D273 HydrophobicContact CB-CB 4.07Å
256	A	98.7	Very high	98.4	Very high	24 Å²	24	52.5 Å²	52.5	20%	0.198	26%	0.263	C	S	.	.			trans	-46.2	134.5	-179.5	0	0	0	0	0	112.4	L215 K229 S271 G272	L215-A256 HydrophobicContact CD1-CB 4.03Å; K229-A256 HydrophobicContact CB-CB 4.41Å; K229-A256 HydrophobicContact CG-CB 4.16Å; A256-S271 VanDerWaalsContact O-CA 3.27Å; A256-S271 WeakPolarHBondContact O-CA 3.27Å; A256-S271 WeakPolarHBondContact O-CB 3.37Å; A256-S271 PolarHBondContact O-OG 2.94Å; A256-G272 PolarHBondContact O-N 2.9Å
257	V	98.9	Very high	98.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	107.4	175.9	-171.5	0	0	0	0	107.6	L215 C227 S228 I233 H253 A255	L215-V257 WeakPolarHBondContact CD1-O 3.49Å; C227-V257 HydrophobicContact CB-CB 3.8Å; C227-V257 HydrophobicContact CB-CG1 3.59Å; C227-V257 PolarHBondContact SG-O 3.1Å; S228-V257 PolarHBondContact O-N 2.98Å; S228-V257 VanDerWaalsContact O-N 3.14Å; I233-V257 HydrophobicContact CD1-CG1 4.32Å; I233-V257 HydrophobicContact CG1-CG1 4.02Å; I233-V257 HydrophobicContact CG1-CG2 4.28Å; H253-V257 HydrophobicContact CB-CG2 3.79Å; A255-V257 PolarHBondContact O-N 3.44Å
258	N	98.9	Very high	98.5	Very high	46 Å²	46	44.2 Å²	44.2	25%	0.246	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-24.7	-167.6	-66.4	-38.2	0	0	0	113.2	A270 G272 I297	N258-A270 PolarHBondContact N-O 3.47Å; N258-G272 PolarHBondContact ND2-N 3.48Å; N258-I297 WeakPolarHBondContact CB-O 3.48Å; N258-I297 PolarHBondContact ND2-O 3.24Å
259	V	98.9	Very high	98.5	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	144	-176.3	59.5	0	0	0	0	110.8	A270 L300	V259-A270 HydrophobicContact CG1-CB 3.71Å; V259-A270 PolarHBondContact N-O 2.88Å; V259-A270 PolarHBondContact O-N 2.89Å; V259-L300 HydrophobicContact CB-CB 4.5Å; V259-L300 HydrophobicContact CG1-CB 3.56Å; V259-L300 HydrophobicContact CG2-CB 4.1Å
260	V	98.8	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.6	171.5	69.3	0	0	0	0	109.9	H216 R218 V225 C227 I233 I267 V268	H216-V260 PolarHBondContact CE1-O 2.82Å; H216-V260 VanDerWaalsContact CE1-O 3.3Å; H216-V260 PolarHBondContact ND1-N 3.47Å; H216-V260 PolarHBondContact ND1-O 2.9Å; R218-V260 VanDerWaalsContact CG-O 3.31Å; R218-V260 WeakPolarHBondContact CG-O 3.4Å; V225-V260 HydrophobicContact CB-CG1 4.46Å; V225-V260 HydrophobicContact CB-CG2 4.34Å; V225-V260 HydrophobicContact CG1-CB 4.46Å; V225-V260 HydrophobicContact CG1-CG1 4.17Å; V225-V260 HydrophobicContact CG1-CG2 3.57Å; C227-V260 HydrophobicContact CB-CB 4.29Å; C227-V260 HydrophobicContact CB-CG1 4.31Å; I233-V260 HydrophobicContact CG2-CG2 4.48Å; V260-I267 HydrophobicContact CG2-CG2 3.73Å; V260-V268 WeakPolarHBondContact CA-O 3.27Å
261	D	98.8	Very high	98.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.2	170.5	-147.7	6.5	0	0	0	107.6	R218 V268 L300 Y302	R218-D261 IonicContact CZ-OD1 2.77Å; R218-D261 IonicContact NE-OD1 2.86Å; R218-D261 PolarHBondContact NE-OD1 2.83Å; R218-D261 IonicContact NH2-OD1 3.99Å; R218-D261 PolarHBondContact NH2-OD1 3.25Å; D261-V268 PolarHBondContact N-O 3.36Å; D261-V268 PolarHBondContact O-N 3.39Å; D261-L300 HydrophobicContact CB-CD2 4.16Å; D261-Y302 PolarHBondContact OD2-N 3.01Å
262	F	98.7	Very high	98.6	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.044	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	162.7	179.4	74.5	-76.6	0	0	0	112.3	R218 Q220 I223 V225 Y266 I267 T281	R218-F262 HydrophobicContact CB-CD1 3.92Å; R218-F262 HydrophobicContact CB-CE1 3.76Å; R218-F262 WeakPolarHBondContact O-CE1 3.47Å; Q220-F262 HydrophobicContact CB-CZ 4.46Å; Q220-F262 HydrophobicContact CG-CE1 4.39Å; Q220-F262 HydrophobicContact CG-CE2 3.65Å; Q220-F262 HydrophobicContact CG-CZ 3.59Å; Q220-F262 VanDerWaalsContact NE2-CE2 3.32Å; Q220-F262 PolarHBondContact NE2-O 2.78Å; I223-F262 HydrophobicContact CB-CE2 4.1Å; I223-F262 HydrophobicContact CB-CZ 4.25Å; I223-F262 HydrophobicContact CG2-CE2 4Å; I223-F262 HydrophobicContact CG2-CZ 4.15Å; V225-F262 HydrophobicContact CB-CD1 4.26Å; V225-F262 HydrophobicContact CB-CE1 4.41Å; V225-F262 HydrophobicContact CG2-CD1 3.79Å; V225-F262 HydrophobicContact CG2-CE1 3.94Å; V225-F262 HydrophobicContact CG2-CG 4.09Å; V225-F262 HydrophobicContact CG2-CZ 4.34Å; F262-Y266 CarbonylContact C-O 3.56Å; F262-Y266 WeakPolarHBondContact CA-O 3.36Å; F262-Y266 WeakPolarHBondContact CB-O 3.45Å; F262-I267 HydrophobicContact CB-CB 4.23Å; F262-I267 HydrophobicContact CB-CG1 3.85Å; F262-T281 HydrophobicContact CD2-CG2 4.36Å
263	D	98.3	Very high	98.6	Very high	41 Å²	41	32.2 Å²	32.2	22%	0.219	16%	0.164	C	C	.	.			trans	-132.8	-169.5	164.2	67.6	8.1	0	0	0	109.5	K265 Y266 T281 Y302	D263-K265 PolarHBondContact O-N 3.36Å; D263-K265 VanDerWaalsContact O-N 3.14Å; D263-K265 WeakPolarHBondContact OD1-CA 3.41Å; D263-K265 WeakPolarHBondContact OD1-CB 3.41Å; D263-K265 PolarHBondContact OD1-N 3.35Å; D263-Y266 PolarHBondContact N-O 2.59Å; D263-Y266 PolarHBondContact OD1-N 2.84Å; D263-T281 WeakPolarHBondContact O-CB 3.42Å; D263-T281 WeakPolarHBondContact O-CG2 3.2Å; D263-T281 PolarHBondContact O-OG1 2.89Å; D263-Y302 HydrophobicContact CB-CE1 4.09Å; D263-Y302 WeakPolarHBondContact OD1-CE1 3.17Å; D263-Y302 PolarHBondContact OD1-OH 2.79Å; D263-Y302 VanDerWaalsContact OD2-CE1 3.28Å; D263-Y302 WeakPolarHBondContact OD2-CE1 3.15Å; D263-Y302 VanDerWaalsContact OD2-CZ 3.23Å; D263-Y302 PolarHBondContact OD2-OH 3.14Å
264	D	96.8	Very high	98.7	Very high	111 Å²	111	38.5 Å²	38.5	59%	0.594	19%	0.187	S	C	*	.	S	Bend	trans	-62.6	-18.4	179.2	-57.7	-31.1	0	0	0	112.9	N221	N221-D264 PolarHBondContact ND2-OD1 2.91Å
265	K	98.1	Very high	98.7	Very high	95 Å²	95	29 Å²	29	41%	0.413	15%	0.154	S	C	.	.	S	Bend	trans	-101.9	-48.5	-175.7	-169.4	179.4	-177.7	-166.9	0	112.8	D263 T281 E322	D263-K265 PolarHBondContact O-N 3.36Å; D263-K265 VanDerWaalsContact O-N 3.14Å; D263-K265 WeakPolarHBondContact OD1-CA 3.41Å; D263-K265 WeakPolarHBondContact OD1-CB 3.41Å; D263-K265 PolarHBondContact OD1-N 3.35Å; K265-T281 VanDerWaalsContact C-OG1 3.32Å; K265-T281 PolarHBondContact O-N 2.87Å; K265-E322 IonicContact NZ-OE1 2.83Å; K265-E322 PolarHBondContact NZ-OE1 2.9Å; K265-E322 IonicContact NZ-OE2 3.02Å; K265-E322 PolarHBondContact NZ-OE2 3.25Å
266	Y	98.8	Very high	98.7	Very high	24 Å²	24	27.6 Å²	27.6	9%	0.094	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.4	-172.4	-63.2	-53.3	0	0	0	114	F262 D263 V278 W279 T281 V287 I321 E322	F262-Y266 CarbonylContact C-O 3.56Å; F262-Y266 WeakPolarHBondContact CA-O 3.36Å; F262-Y266 WeakPolarHBondContact CB-O 3.45Å; D263-Y266 PolarHBondContact N-O 2.59Å; D263-Y266 PolarHBondContact OD1-N 2.84Å; Y266-V278 HydrophobicContact CD1-CG1 3.63Å; Y266-V278 HydrophobicContact CD2-CG1 4.33Å; Y266-V278 HydrophobicContact CE1-CG1 4.21Å; Y266-V278 HydrophobicContact CG-CG1 3.71Å; Y266-W279 CarbonylContact C-O 3.54Å; Y266-W279 VanDerWaalsContact CA-O 3.25Å; Y266-W279 WeakPolarHBondContact CA-O 3.26Å; Y266-T281 WeakPolarHBondContact CA-OG1 3.19Å; Y266-T281 PolarHBondContact N-OG1 2.93Å; Y266-T281 VanDerWaalsContact N-OG1 3.12Å; Y266-T281 PolarHBondContact O-OG1 3.01Å; Y266-V287 HydrophobicContact CD1-CG2 4.32Å; Y266-V287 HydrophobicContact CE1-CG1 4.27Å; Y266-V287 HydrophobicContact CE1-CG2 4.01Å; Y266-I321 HydrophobicContact CD2-CG1 3.64Å; Y266-I321 HydrophobicContact CD2-CG2 4.42Å; Y266-I321 HydrophobicContact CE2-CG1 4.01Å; Y266-I321 HydrophobicContact CE2-CG2 4.35Å; Y266-I321 HydrophobicContact CG-CG1 4.39Å; Y266-E322 PolarHBondContact OH-OE2 3.45Å
267	I	98.9	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.4	158.8	-58.8	167.1	0	0	0	107.6	V225 V235 L250 V260 F262 V278 W279 T281	V225-I267 HydrophobicContact CG1-CG2 4.03Å; V225-I267 HydrophobicContact CG2-CD1 4.1Å; V225-I267 HydrophobicContact CG2-CG1 4.3Å; V235-I267 HydrophobicContact CG2-CD1 3.74Å; L250-I267 HydrophobicContact CD1-CD1 4.3Å; V260-I267 HydrophobicContact CG2-CG2 3.73Å; F262-I267 HydrophobicContact CB-CB 4.23Å; F262-I267 HydrophobicContact CB-CG1 3.85Å; I267-V278 WeakPolarHBondContact O-CA 3.26Å; I267-W279 HydrophobicContact CB-CB 4.26Å; I267-W279 PolarHBondContact N-O 2.91Å; I267-W279 PolarHBondContact O-N 2.91Å; I267-T281 PolarHBondContact N-OG1 3Å
268	V	98.9	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.5	-178.6	-174.7	0	0	0	0	109.4	V260 D261 I276 K277 L300 Y302 V307 I321	V260-V268 WeakPolarHBondContact CA-O 3.27Å; D261-V268 PolarHBondContact N-O 3.36Å; D261-V268 PolarHBondContact O-N 3.39Å; V268-I276 HydrophobicContact CG1-CG2 3.43Å; V268-I276 VanDerWaalsContact CG1-CG2 3.43Å; V268-K277 WeakPolarHBondContact CA-O 3.45Å; V268-L300 HydrophobicContact CB-CD2 4.39Å; V268-L300 HydrophobicContact CG1-CD1 3.85Å; V268-L300 HydrophobicContact CG1-CD2 3.93Å; V268-Y302 HydrophobicContact CB-CD1 4.41Å; V268-Y302 HydrophobicContact CB-CG 4.37Å; V268-Y302 HydrophobicContact CG2-CD1 3.57Å; V268-Y302 HydrophobicContact CG2-CD2 4.15Å; V268-Y302 HydrophobicContact CG2-CE1 4.03Å; V268-Y302 HydrophobicContact CG2-CG 3.65Å; V268-V307 HydrophobicContact CG1-CG1 4.35Å; V268-V307 HydrophobicContact CG1-CG2 4.25Å; V268-I321 HydrophobicContact CG2-CD1 3.84Å
269	S	98.9	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.4	-177.9	61.5	0	0	0	0	111.7	I233 H253 I276 K277 W279	I233-S269 WeakPolarHBondContact CD1-OG 3.3Å; H253-S269 PolarHBondContact NE2-OG 3.26Å; S269-I276 CarbonylContact O-C 3.59Å; S269-I276 WeakPolarHBondContact O-CA 3.34Å; S269-I276 WeakPolarHBondContact O-CG2 3.26Å; S269-K277 PolarHBondContact N-O 3.22Å; S269-K277 PolarHBondContact O-N 3.23Å; S269-K277 PolarHBondContact OG-O 3.1Å; S269-W279 PolarHBondContact OG-NE1 3.01Å
270	A	98.9	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.6	176	0	0	0	0	0	112.7	N258 V259 I276 I297 L300	N258-A270 PolarHBondContact N-O 3.47Å; V259-A270 HydrophobicContact CG1-CB 3.71Å; V259-A270 PolarHBondContact N-O 2.88Å; V259-A270 PolarHBondContact O-N 2.89Å; A270-I276 HydrophobicContact CB-CG1 4.04Å; A270-I297 HydrophobicContact CB-CB 3.87Å; A270-I297 HydrophobicContact CB-CD1 4.14Å; A270-I297 HydrophobicContact CB-CG2 3.58Å; A270-L300 HydrophobicContact CB-CD1 3.89Å
271	S	98.9	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	162.8	-164.8	171.4	0	0	0	0	113.8	H253 A255 A256 D273 R274 T275 I297	H253-S271 VanDerWaalsContact CE1-CB 3.5Å; H253-S271 WeakPolarHBondContact CE1-CB 3.37Å; H253-S271 WeakPolarHBondContact ND1-CB 3.16Å; A255-S271 PolarHBondContact O-OG 2.92Å; A256-S271 VanDerWaalsContact O-CA 3.27Å; A256-S271 WeakPolarHBondContact O-CA 3.27Å; A256-S271 WeakPolarHBondContact O-CB 3.37Å; A256-S271 PolarHBondContact O-OG 2.94Å; S271-D273 WeakPolarHBondContact CB-OD1 3.15Å; S271-D273 PolarHBondContact O-N 2.78Å; S271-D273 PolarHBondContact OG-N 3.19Å; S271-D273 VanDerWaalsContact OG-N 3.09Å; S271-D273 PolarHBondContact OG-OD1 3.45Å; S271-R274 PolarHBondContact O-N 2.91Å; S271-T275 PolarHBondContact N-O 2.9Å; S271-I297 PolarHBondContact O-N 2.94Å
272	G	98.8	Very high	98.5	Very high	30 Å²	30	33.4 Å²	33.4	31%	0.309	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.2	164.8	0	0	0	0	0	114	A256 N258 R274	A256-G272 PolarHBondContact O-N 2.9Å; N258-G272 PolarHBondContact ND2-N 3.48Å; G272-R274 PolarHBondContact O-N 2.83Å
273	D	98.7	Very high	98.5	Very high	30 Å²	30	35.3 Å²	35.3	16%	0.16	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	5.9	175.4	73.4	11.9	0	0	0	114.1	H253 R254 A255 S271 T275	H253-D273 VanDerWaalsContact CA-OD2 3.28Å; H253-D273 WeakPolarHBondContact CA-OD2 3.4Å; H253-D273 IonicContact CE1-OD1 3.92Å; H253-D273 IonicContact CG-OD2 3.36Å; H253-D273 IonicContact ND1-OD1 3.12Å; H253-D273 PolarHBondContact ND1-OD1 2.9Å; H253-D273 IonicContact ND1-OD2 3.58Å; H253-D273 PolarHBondContact ND1-OD2 3.3Å; R254-D273 HydrophobicContact CB-CB 4.06Å; R254-D273 PolarHBondContact N-OD2 3.35Å; A255-D273 HydrophobicContact CB-CB 4.07Å; S271-D273 WeakPolarHBondContact CB-OD1 3.15Å; S271-D273 PolarHBondContact O-N 2.78Å; S271-D273 PolarHBondContact OG-N 3.19Å; S271-D273 VanDerWaalsContact OG-N 3.09Å; S271-D273 PolarHBondContact OG-OD1 3.45Å; D273-T275 PolarHBondContact O-N 2.83Å; D273-T275 WeakPolarHBondContact OD1-CB 3.43Å; D273-T275 PolarHBondContact OD1-N 3.5Å; D273-T275 PolarHBondContact OD1-OG1 3.49Å; D273-T275 PolarHBondContact OD2-OG1 3.02Å
274	R	98.8	Very high	98.5	Very high	143 Å²	143	33.7 Å²	33.7	54%	0.54	18%	0.175	S	C	.	.	S	Bend	trans	74.5	8.8	176.1	-38.4	174.5	-172	168.9	3.3	114	S271 G272	S271-R274 PolarHBondContact O-N 2.91Å; G272-R274 PolarHBondContact O-N 2.83Å
275	T	98.9	Very high	98.5	Very high	18 Å²	18	33.4 Å²	33.4	11%	0.11	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.3	-177.6	75.4	0	0	0	0	112.4	H253 S271 D273 T289 N291	H253-T275 PolarHBondContact CE1-OG1 2.96Å; H253-T275 PolarHBondContact ND1-OG1 3.03Å; S271-T275 PolarHBondContact N-O 2.9Å; D273-T275 PolarHBondContact O-N 2.83Å; D273-T275 WeakPolarHBondContact OD1-CB 3.43Å; D273-T275 PolarHBondContact OD1-N 3.5Å; D273-T275 PolarHBondContact OD1-OG1 3.49Å; D273-T275 PolarHBondContact OD2-OG1 3.02Å; T275-T289 HydrophobicContact CG2-CG2 4Å; T275-N291 WeakPolarHBondContact CG2-OD1 3.43Å
276	I	98.9	Very high	98.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.8	161.7	-53	171.7	0	0	0	106.8	V268 S269 A270 T289 L290 I297 L300 V307 W319	V268-I276 HydrophobicContact CG1-CG2 3.43Å; V268-I276 VanDerWaalsContact CG1-CG2 3.43Å; S269-I276 CarbonylContact O-C 3.59Å; S269-I276 WeakPolarHBondContact O-CA 3.34Å; S269-I276 WeakPolarHBondContact O-CG2 3.26Å; A270-I276 HydrophobicContact CB-CG1 4.04Å; I276-T289 CarbonylContact O-C 3.59Å; I276-T289 WeakPolarHBondContact O-CA 3.41Å; I276-L290 HydrophobicContact CB-CB 4.01Å; I276-L290 HydrophobicContact CB-CD1 4.21Å; I276-L290 HydrophobicContact CB-CG 4.18Å; I276-L290 HydrophobicContact CD1-CD1 4.31Å; I276-L290 HydrophobicContact CG2-CD1 4.11Å; I276-L290 HydrophobicContact CG2-CG 4.4Å; I276-L290 PolarHBondContact N-O 2.98Å; I276-L290 VanDerWaalsContact N-O 3.13Å; I276-L290 PolarHBondContact O-N 3.08Å; I276-I297 HydrophobicContact CD1-CD1 4.12Å; I276-I297 HydrophobicContact CG1-CD1 3.39Å; I276-L300 HydrophobicContact CD1-CD1 3.83Å; I276-L300 HydrophobicContact CG1-CD1 4.09Å; I276-L300 HydrophobicContact CG2-CD1 3.83Å; I276-V307 HydrophobicContact CD1-CG1 4.08Å; I276-W319 HydrophobicContact CD1-CZ2 4.43Å
277	K	98.9	Very high	98.6	Very high	28 Å²	28	35.1 Å²	35.1	12%	0.122	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.4	173.9	-69.6	-179	177	-70.4	0	110.3	G252 V268 S269 W279 F286 T289	G252-K277 VanDerWaalsContact O-CE 3.28Å; G252-K277 WeakPolarHBondContact O-CE 3.24Å; V268-K277 WeakPolarHBondContact CA-O 3.45Å; S269-K277 PolarHBondContact N-O 3.22Å; S269-K277 PolarHBondContact O-N 3.23Å; S269-K277 PolarHBondContact OG-O 3.1Å; K277-W279 HydrophobicContact CB-CZ2 3.85Å; K277-W279 HydrophobicContact CD-CH2 4.27Å; K277-W279 HydrophobicContact CD-CZ2 3.69Å; K277-W279 HydrophobicContact CG-CZ2 4.41Å; K277-F286 HydrophobicContact CB-CE2 4.41Å; K277-F286 HydrophobicContact CD-CE2 4.36Å; K277-F286 HydrophobicContact CG-CE2 4.2Å; K277-T289 HydrophobicContact CG-CG2 4.42Å; K277-T289 PolarHBondContact NZ-OG1 3.42Å
278	V	98.9	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.9	179.5	-174	0	0	0	0	107.9	Y266 I267 V287 R288 L290 I321	Y266-V278 HydrophobicContact CD1-CG1 3.63Å; Y266-V278 HydrophobicContact CD2-CG1 4.33Å; Y266-V278 HydrophobicContact CE1-CG1 4.21Å; Y266-V278 HydrophobicContact CG-CG1 3.71Å; I267-V278 WeakPolarHBondContact O-CA 3.26Å; V278-V287 HydrophobicContact CB-CB 4.39Å; V278-V287 HydrophobicContact CG1-CB 4.26Å; V278-V287 WeakPolarHBondContact O-CB 3.43Å; V278-V287 PolarHBondContact O-N 3.02Å; V278-R288 HydrophobicContact CB-CG 3.84Å; V278-R288 HydrophobicContact CG2-CG 3.81Å; V278-R288 PolarHBondContact N-O 3.04Å; V278-R288 PolarHBondContact O-N 2.8Å; V278-L290 HydrophobicContact CG2-CG 4.4Å; V278-I321 HydrophobicContact CB-CD1 4.28Å; V278-I321 HydrophobicContact CG1-CD1 3.8Å; V278-I321 HydrophobicContact CG1-CG1 4.27Å; V278-I321 HydrophobicContact CG2-CD1 3.44Å; V278-I321 VanDerWaalsContact CG2-CD1 3.44Å
279	W	98.8	Very high	98.5	Very high	14 Å²	14	40.7 Å²	40.7	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147	-178.6	-40.2	81.3	0	0	0	108.6	I233 L250 Y266 I267 S269 K277 E285 F286	I233-W279 HydrophobicContact CD1-CZ2 4.41Å; L250-W279 HydrophobicContact CB-CD2 4.38Å; L250-W279 HydrophobicContact CB-CE3 4.25Å; L250-W279 HydrophobicContact CB-CH2 4.32Å; L250-W279 HydrophobicContact CB-CZ2 4.42Å; L250-W279 HydrophobicContact CB-CZ3 4.22Å; L250-W279 HydrophobicContact CD1-CB 4.13Å; L250-W279 HydrophobicContact CD1-CD2 3.9Å; L250-W279 HydrophobicContact CD1-CE3 4.3Å; L250-W279 HydrophobicContact CD1-CG 3.8Å; Y266-W279 CarbonylContact C-O 3.54Å; Y266-W279 VanDerWaalsContact CA-O 3.25Å; Y266-W279 WeakPolarHBondContact CA-O 3.26Å; I267-W279 HydrophobicContact CB-CB 4.26Å; I267-W279 PolarHBondContact N-O 2.91Å; I267-W279 PolarHBondContact O-N 2.91Å; S269-W279 PolarHBondContact OG-NE1 3.01Å; K277-W279 HydrophobicContact CB-CZ2 3.85Å; K277-W279 HydrophobicContact CD-CH2 4.27Å; K277-W279 HydrophobicContact CD-CZ2 3.69Å; K277-W279 HydrophobicContact CG-CZ2 4.41Å; W279-E285 CarbonylContact C-O 3.45Å; W279-E285 WeakPolarHBondContact CA-O 3.49Å; W279-F286 HydrophobicContact CE3-CB 3.77Å; W279-F286 HydrophobicContact CE3-CD2 4.25Å; W279-F286 HydrophobicContact CH2-CD2 4.25Å; W279-F286 HydrophobicContact CZ3-CB 3.71Å; W279-F286 HydrophobicContact CZ3-CD2 4.09Å; W279-F286 HydrophobicContact CZ3-CG 4.37Å
280	S	98.6	Very high	98.5	Very high	25 Å²	25	40.9 Å²	40.9	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.2	171.4	171.9	0	0	0	0	109.8	S283 C284 E285	S280-S283 VanDerWaalsContact CB-OG 3.27Å; S280-S283 WeakPolarHBondContact CB-OG 3.46Å; S280-S283 PolarHBondContact OG-N 3.27Å; S280-S283 PolarHBondContact OG-OG 3.39Å; S280-C284 WeakPolarHBondContact O-CA 3.46Å; S280-C284 PolarHBondContact O-N 3.33Å; S280-E285 PolarHBondContact N-O 2.9Å
281	T	98.1	Very high	98.5	Very high	4 Å²	4	46 Å²	46	3%	0.025	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-43.6	176.1	-58.7	0	0	0	0	111.2	I223 F262 D263 K265 Y266 I267	I223-T281 HydrophobicContact CD1-CG2 4.33Å; F262-T281 HydrophobicContact CD2-CG2 4.36Å; D263-T281 WeakPolarHBondContact O-CB 3.42Å; D263-T281 WeakPolarHBondContact O-CG2 3.2Å; D263-T281 PolarHBondContact O-OG1 2.89Å; K265-T281 VanDerWaalsContact C-OG1 3.32Å; K265-T281 PolarHBondContact O-N 2.87Å; Y266-T281 WeakPolarHBondContact CA-OG1 3.19Å; Y266-T281 PolarHBondContact N-OG1 2.93Å; Y266-T281 VanDerWaalsContact N-OG1 3.12Å; Y266-T281 PolarHBondContact O-OG1 3.01Å; I267-T281 PolarHBondContact N-OG1 3Å
282	D	96.6	Very high	98.5	Very high	128 Å²	128	47.5 Å²	47.5	68%	0.684	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-56.8	-177.7	-67.4	-27.9	0	0	0	112.7
283	S	97.6	Very high	98.5	Very high	51 Å²	51	46.6 Å²	46.6	36%	0.357	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.2	-173.8	68.3	0	0	0	0	113.5	R248 S280 E285	R248-S283 PolarHBondContact NH1-O 3.08Å; R248-S283 PolarHBondContact NH2-O 3.33Å; S280-S283 VanDerWaalsContact CB-OG 3.27Å; S280-S283 WeakPolarHBondContact CB-OG 3.46Å; S280-S283 PolarHBondContact OG-N 3.27Å; S280-S283 PolarHBondContact OG-OG 3.39Å; S283-E285 PolarHBondContact O-N 3.47Å; S283-E285 WeakPolarHBondContact OG-CB 3.24Å; S283-E285 WeakPolarHBondContact OG-CG 3.31Å; S283-E285 PolarHBondContact OG-N 2.78Å
284	C	98.2	Very high	98.5	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.041	27%	0.265	C	S	.	.			trans	57.7	22.5	-171.2	-65.2	0	0	0	0	113.7	R248 L250 S280	R248-C284 HydrophobicContact CB-CB 4.27Å; R248-C284 VanDerWaalsContact CD-CB 3.48Å; R248-C284 HydrophobicContact CG-CB 4.39Å; L250-C284 HydrophobicContact CD2-CB 3.73Å; S280-C284 WeakPolarHBondContact O-CA 3.46Å; S280-C284 PolarHBondContact O-N 3.33Å
285	E	98.5	Very high	98.5	Very high	106 Å²	106	53.4 Å²	53.4	50%	0.495	27%	0.268	S	S	.	.			trans	-86.2	147.6	177.7	-66.5	-57	138.9	0	0	112	R248 W279 S280 S283 V287	R248-E285 IonicContact CZ-OE1 2.66Å; R248-E285 IonicContact NH1-OE1 3.36Å; R248-E285 PolarHBondContact NH1-OE1 3.06Å; W279-E285 CarbonylContact C-O 3.45Å; W279-E285 WeakPolarHBondContact CA-O 3.49Å; S280-E285 PolarHBondContact N-O 2.9Å; S283-E285 PolarHBondContact O-N 3.47Å; S283-E285 WeakPolarHBondContact OG-CB 3.24Å; S283-E285 WeakPolarHBondContact OG-CG 3.31Å; S283-E285 PolarHBondContact OG-N 2.78Å; E285-V287 PolarHBondContact O-N 3.28Å
286	F	98.7	Very high	98.5	Very high	100 Å²	100	53.1 Å²	53.1	44%	0.439	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131	174.6	172.8	-100.6	0	0	0	111.1	K277 W279 R288 T289	K277-F286 HydrophobicContact CB-CE2 4.41Å; K277-F286 HydrophobicContact CD-CE2 4.36Å; K277-F286 HydrophobicContact CG-CE2 4.2Å; W279-F286 HydrophobicContact CE3-CB 3.77Å; W279-F286 HydrophobicContact CE3-CD2 4.25Å; W279-F286 HydrophobicContact CH2-CD2 4.25Å; W279-F286 HydrophobicContact CZ3-CB 3.71Å; W279-F286 HydrophobicContact CZ3-CD2 4.09Å; W279-F286 HydrophobicContact CZ3-CG 4.37Å; F286-R288 WeakPolarHBondContact CE2-O 3.36Å; F286-R288 VanDerWaalsContact CZ-CA 3.5Å; F286-T289 WeakPolarHBondContact CE2-OG1 3.22Å; F286-T289 VanDerWaalsContact CZ-OG1 3.26Å; F286-T289 WeakPolarHBondContact CZ-OG1 3.38Å
287	V	98.6	Very high	98.4	Very high	55 Å²	55	53.2 Å²	53.2	33%	0.333	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-53.7	179.5	-179.9	0	0	0	0	110.9	Y266 V278 E285	Y266-V287 HydrophobicContact CD1-CG2 4.32Å; Y266-V287 HydrophobicContact CE1-CG1 4.27Å; Y266-V287 HydrophobicContact CE1-CG2 4.01Å; V278-V287 HydrophobicContact CB-CB 4.39Å; V278-V287 HydrophobicContact CG1-CB 4.26Å; V278-V287 WeakPolarHBondContact O-CB 3.43Å; V278-V287 PolarHBondContact O-N 3.02Å; E285-V287 PolarHBondContact O-N 3.28Å
288	R	98.5	Very high	98.5	Very high	77 Å²	77	52.3 Å²	52.3	29%	0.291	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	169.8	-177.1	63.4	-174.3	65.5	-153.5	7.7	113.3	V278 F286 L290 E322 C323	V278-R288 HydrophobicContact CB-CG 3.84Å; V278-R288 HydrophobicContact CG2-CG 3.81Å; V278-R288 PolarHBondContact N-O 3.04Å; V278-R288 PolarHBondContact O-N 2.8Å; F286-R288 WeakPolarHBondContact CE2-O 3.36Å; F286-R288 VanDerWaalsContact CZ-CA 3.5Å; R288-L290 HydrophobicContact CG-CD2 4.31Å; R288-E322 PolarHBondContact NH1-O 2.86Å; R288-E322 PolarHBondContact NH2-O 2.8Å; R288-C323 PolarHBondContact NH1-O 3.31Å
289	T	98.8	Very high	98.4	Very high	39 Å²	39	52.4 Å²	52.4	24%	0.239	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.4	170.8	-60.9	0	0	0	0	109.9	T275 I276 K277 F286	T275-T289 HydrophobicContact CG2-CG2 4Å; I276-T289 CarbonylContact O-C 3.59Å; I276-T289 WeakPolarHBondContact O-CA 3.41Å; K277-T289 HydrophobicContact CG-CG2 4.42Å; K277-T289 PolarHBondContact NZ-OG1 3.42Å; F286-T289 WeakPolarHBondContact CE2-OG1 3.22Å; F286-T289 VanDerWaalsContact CZ-OG1 3.26Å; F286-T289 WeakPolarHBondContact CZ-OG1 3.38Å
290	L	98.7	Very high	98.4	Very high	4 Å²	4	52 Å²	52	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118	170	-39.3	-178.6	0	0	0	108.5	I276 V278 R288 W319	I276-L290 HydrophobicContact CB-CB 4.01Å; I276-L290 HydrophobicContact CB-CD1 4.21Å; I276-L290 HydrophobicContact CB-CG 4.18Å; I276-L290 HydrophobicContact CD1-CD1 4.31Å; I276-L290 HydrophobicContact CG2-CD1 4.11Å; I276-L290 HydrophobicContact CG2-CG 4.4Å; I276-L290 PolarHBondContact N-O 2.98Å; I276-L290 VanDerWaalsContact N-O 3.13Å; I276-L290 PolarHBondContact O-N 3.08Å; V278-L290 HydrophobicContact CG2-CG 4.4Å; R288-L290 HydrophobicContact CG-CD2 4.31Å; L290-W319 HydrophobicContact CB-CD2 4.34Å; L290-W319 HydrophobicContact CB-CE3 4.01Å; L290-W319 HydrophobicContact CB-CZ3 4.18Å; L290-W319 HydrophobicContact CD1-CB 3.88Å; L290-W319 HydrophobicContact CD1-CD2 4.23Å; L290-W319 HydrophobicContact CD1-CE3 4.47Å; L290-W319 HydrophobicContact CD1-CG 3.99Å
291	N	98.3	Very high	98.5	Very high	107 Å²	107	51.3 Å²	51.3	57%	0.572	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.7	-178.7	-68.9	-62.4	0	0	0	110.3	T275 W319	T275-N291 WeakPolarHBondContact CG2-OD1 3.43Å; N291-W319 WeakPolarHBondContact O-CH2 3.32Å; N291-W319 WeakPolarHBondContact O-CZ3 3.49Å
292	G	98.2	Very high	98.5	Very high	32 Å²	32	51.7 Å²	51.7	33%	0.33	26%	0.261	S	S	.	.			trans	157	-25.8	169.4	0	0	0	0	0	114.8	R317	G292-R317 PolarHBondContact O-NH1 2.76Å; G292-R317 PolarHBondContact O-NH2 3.21Å
293	H	98.7	Very high	98.6	Very high	11 Å²	11	49.2 Å²	49.2	5%	0.051	24%	0.242	C	C	.	.			trans	-60.6	139.8	171	-86	-62.9	0	0	0	111	I297 S309 S311 D313 T315 W319	H293-I297 HydrophobicContact CB-CD1 4.4Å; H293-I297 HydrophobicContact CB-CG1 4.15Å; H293-S309 PolarHBondContact NE2-OG 3.03Å; H293-S311 VanDerWaalsContact CE1-CB 3.42Å; H293-S311 WeakPolarHBondContact CE1-CB 3.24Å; H293-S311 WeakPolarHBondContact ND1-CB 3.4Å; H293-D313 WeakPolarHBondContact CA-OD2 3.19Å; H293-D313 IonicContact CE1-OD1 3.4Å; H293-D313 IonicContact CG-OD2 3.94Å; H293-D313 IonicContact ND1-OD1 2.87Å; H293-D313 PolarHBondContact ND1-OD1 3.47Å; H293-D313 IonicContact ND1-OD2 3.65Å; H293-D313 PolarHBondContact ND1-OD2 3.37Å; H293-T315 PolarHBondContact ND1-OG1 2.93Å; H293-W319 AromaticContact CD2-CZ2 3.94Å
294	K	98.7	Very high	98.5	Very high	158 Å²	158	52.1 Å²	52.1	69%	0.687	25%	0.254	S	S	*	.	S	Bend	trans	-86.9	-17.4	-176.1	-63.2	178.6	-178.7	173	0	112.3	D313	K294-D313 HydrophobicContact CB-CB 3.96Å; K294-D313 PolarHBondContact N-OD2 3.24Å
295	R	98.7	Very high	98.5	Very high	159 Å²	159	58.2 Å²	58.2	60%	0.6	28%	0.276	S	S	*	.	S	Bend	trans	-140.6	176.2	177.8	-64.1	-178.8	167	-170.2	0.6	110.7	S311 S312 D313	R295-S311 PolarHBondContact O-OG 3.3Å; R295-S312 WeakPolarHBondContact CD-O 3.39Å; R295-D313 HydrophobicContact CB-CB 4.09Å; R295-D313 HydrophobicContact CG-CB 4.23Å
296	G	98.6	Very high	98.5	Very high	12 Å²	12	54.1 Å²	54.1	12%	0.124	26%	0.258	C	S	.	.			trans	-56.4	146.1	-175.8	0	0	0	0	0	113	S311 S312	G296-S311 WeakPolarHBondContact O-CA 3.47Å; G296-S311 PolarHBondContact O-OG 3.5Å; G296-S312 PolarHBondContact O-N 2.86Å; G296-S312 PolarHBondContact O-OG 3.19Å
297	I	98.9	Very high	98.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.9	-177.9	-55.3	174	0	0	0	108.4	N258 A270 S271 I276 H293 G310	N258-I297 WeakPolarHBondContact CB-O 3.48Å; N258-I297 PolarHBondContact ND2-O 3.24Å; A270-I297 HydrophobicContact CB-CB 3.87Å; A270-I297 HydrophobicContact CB-CD1 4.14Å; A270-I297 HydrophobicContact CB-CG2 3.58Å; S271-I297 PolarHBondContact O-N 2.94Å; I276-I297 HydrophobicContact CD1-CD1 4.12Å; I276-I297 HydrophobicContact CG1-CD1 3.39Å; H293-I297 HydrophobicContact CB-CD1 4.4Å; H293-I297 HydrophobicContact CB-CG1 4.15Å; I297-G310 WeakPolarHBondContact CG2-O 3.37Å
298	A	98.9	Very high	98.5	Very high	10 Å²	10	46.8 Å²	46.8	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-23.7	-173	0	0	0	0	0	113.3	G310 L336 R338	A298-G310 PolarHBondContact N-O 3.42Å; A298-L336 HydrophobicContact CB-CD2 3.8Å; A298-L336 HydrophobicContact CB-CG 4.46Å; A298-R338 PolarHBondContact O-NH1 2.98Å
299	C	98.8	Very high	98.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.3	178.8	58.9	0	0	0	0	112.4	S309 G310 V337 R338 C339 I340	C299-S309 WeakPolarHBondContact O-CA 3.36Å; C299-G310 PolarHBondContact N-O 2.99Å; C299-G310 PolarHBondContact O-N 3.47Å; C299-V337 PolarHBondContact SG-O 2.92Å; C299-R338 WeakPolarHBondContact CB-O 3.35Å; C299-C339 VanDerWaalsContact SG-C 3.54Å; C299-I340 HydrophobicContact CB-CG2 3.94Å; C299-I340 VanDerWaalsContact SG-CG2 3.53Å
300	L	98.8	Very high	98.5	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	149.5	-178.2	-174.9	146.2	0	0	0	109.5	V259 D261 V268 A270 I276 V307 V308	V259-L300 HydrophobicContact CB-CB 4.5Å; V259-L300 HydrophobicContact CG1-CB 3.56Å; V259-L300 HydrophobicContact CG2-CB 4.1Å; D261-L300 HydrophobicContact CB-CD2 4.16Å; V268-L300 HydrophobicContact CB-CD2 4.39Å; V268-L300 HydrophobicContact CG1-CD1 3.85Å; V268-L300 HydrophobicContact CG1-CD2 3.93Å; A270-L300 HydrophobicContact CB-CD1 3.89Å; I276-L300 HydrophobicContact CD1-CD1 3.83Å; I276-L300 HydrophobicContact CG1-CD1 4.09Å; I276-L300 HydrophobicContact CG2-CD1 3.83Å; L300-V307 HydrophobicContact CD1-CG1 3.51Å; L300-V307 HydrophobicContact CD2-CG1 4.15Å; L300-V307 HydrophobicContact CG-CG1 3.78Å; L300-V308 CarbonylContact C-O 3.56Å; L300-V308 VanDerWaalsContact CA-O 3.27Å; L300-V308 WeakPolarHBondContact CA-O 3.37Å
301	Q	98.9	Very high	98.5	Very high	10 Å²	10	41 Å²	41	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.5	157.5	179.3	177.4	-4.8	0	0	108.7	V308 R341 F342	Q301-V308 PolarHBondContact N-O 3.12Å; Q301-V308 PolarHBondContact O-N 2.75Å; Q301-R341 VanDerWaalsContact CD-NH1 3.27Å; Q301-R341 VanDerWaalsContact CG-NH1 3.31Å; Q301-F342 HydrophobicContact CB-CD1 3.86Å; Q301-F342 HydrophobicContact CB-CE1 3.77Å; Q301-F342 HydrophobicContact CG-CD1 3.8Å; Q301-F342 HydrophobicContact CG-CE1 3.51Å; Q301-F342 HydrophobicContact CG-CZ 4.44Å; Q301-F342 PolarHBondContact NE2-O 3.49Å; Q301-F342 PolarHBondContact OE1-O 3.41Å
302	Y	98.8	Very high	98.6	Very high	11 Å²	11	37.4 Å²	37.4	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.7	173.4	167.1	-123.4	0	0	0	109.2	D261 D263 V268 D304 V307 I321	D261-Y302 PolarHBondContact OD2-N 3.01Å; D263-Y302 HydrophobicContact CB-CE1 4.09Å; D263-Y302 WeakPolarHBondContact OD1-CE1 3.17Å; D263-Y302 PolarHBondContact OD1-OH 2.79Å; D263-Y302 VanDerWaalsContact OD2-CE1 3.28Å; D263-Y302 WeakPolarHBondContact OD2-CE1 3.15Å; D263-Y302 VanDerWaalsContact OD2-CZ 3.23Å; D263-Y302 PolarHBondContact OD2-OH 3.14Å; V268-Y302 HydrophobicContact CB-CD1 4.41Å; V268-Y302 HydrophobicContact CB-CG 4.37Å; V268-Y302 HydrophobicContact CG2-CD1 3.57Å; V268-Y302 HydrophobicContact CG2-CD2 4.15Å; V268-Y302 HydrophobicContact CG2-CE1 4.03Å; V268-Y302 HydrophobicContact CG2-CG 3.65Å; Y302-D304 WeakPolarHBondContact CE2-O 3.28Å; Y302-D304 PolarHBondContact OH-O 2.82Å; Y302-V307 HydrophobicContact CD2-CG2 3.66Å; Y302-V307 HydrophobicContact CE2-CG2 4.45Å; Y302-V307 HydrophobicContact CG-CG2 4.32Å; Y302-I321 HydrophobicContact CE2-CB 4.03Å; Y302-I321 HydrophobicContact CE2-CD1 4.29Å; Y302-I321 HydrophobicContact CE2-CG1 3.91Å; Y302-I321 HydrophobicContact CE2-CG2 4.09Å
303	R	98	Very high	98.6	Very high	76 Å²	76	37.2 Å²	37.2	29%	0.287	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	136.7	173.7	-174	175.4	61.4	119.1	2.7	109.7	R305 L306 F342 D343 N344	R303-R305 PolarHBondContact O-N 2.68Å; R303-L306 PolarHBondContact N-O 3.32Å; R303-L306 VanDerWaalsContact N-O 3.08Å; R303-L306 PolarHBondContact O-N 2.92Å; R303-F342 HydrophobicContact CB-CE2 4.19Å; R303-F342 HydrophobicContact CB-CZ 3.7Å; R303-D343 PolarHBondContact NH2-O 2.85Å; R303-D343 VanDerWaalsContact NH2-O 3.16Å; R303-N344 VanDerWaalsContact CZ-OD1 3.29Å; R303-N344 PolarHBondContact NH1-OD1 3.38Å; R303-N344 PolarHBondContact NH2-OD1 3.25Å
304	D	96.2	Very high	98.6	Very high	113 Å²	113	39 Å²	39	60%	0.604	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-119.8	-176	-50.6	-48.2	0	0	0	110.3	Y302	Y302-D304 WeakPolarHBondContact CE2-O 3.28Å; Y302-D304 PolarHBondContact OH-O 2.82Å
305	R	97.4	Very high	98.6	Very high	134 Å²	134	32.2 Å²	32.2	51%	0.506	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-5.7	178.8	-165.8	168	170.3	173.7	-7.7	113.6	R303 D320 I321 E322	R303-R305 PolarHBondContact O-N 2.68Å; R305-D320 WeakPolarHBondContact CD-OD2 3.31Å; R305-D320 IonicContact CZ-OD1 3.05Å; R305-D320 IonicContact CZ-OD2 2.63Å; R305-D320 IonicContact NE-OD1 2.75Å; R305-D320 PolarHBondContact NE-OD1 2.98Å; R305-D320 VanDerWaalsContact NE-OD1 3.09Å; R305-D320 IonicContact NE-OD2 3.05Å; R305-D320 PolarHBondContact NE-OD2 3.03Å; R305-D320 VanDerWaalsContact NH2-CG 3.31Å; R305-D320 IonicContact NH2-OD1 2.73Å; R305-D320 PolarHBondContact NH2-OD1 2.89Å; R305-D320 IonicContact NH2-OD2 3.52Å; R305-D320 PolarHBondContact NH2-OD2 3.26Å; R305-D320 VanDerWaalsContact NH2-OD2 3.07Å; R305-I321 HydrophobicContact CB-CG2 4.5Å; R305-I321 HydrophobicContact CG-CG2 4.04Å; R305-I321 WeakPolarHBondContact O-CG2 3.49Å; R305-I321 PolarHBondContact O-N 3Å; R305-E322 HydrophobicContact CG-CG 4.11Å
306	L	98.7	Very high	98.6	Very high	20 Å²	20	24.7 Å²	24.7	11%	0.105	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128	-166.6	-173	67.1	0	0	0	111.8	R303 V308 L318 L327 F342 L361 L365	R303-L306 PolarHBondContact N-O 3.32Å; R303-L306 VanDerWaalsContact N-O 3.08Å; R303-L306 PolarHBondContact O-N 2.92Å; L306-V308 HydrophobicContact CD2-CG2 3.78Å; L306-V308 HydrophobicContact CG-CG2 3.84Å; L306-L318 HydrophobicContact CD1-CB 4.09Å; L306-L318 HydrophobicContact CD1-CD2 4.48Å; L306-L318 HydrophobicContact CD1-CG 4.32Å; L306-L327 HydrophobicContact CD1-CD1 4.13Å; L306-F342 HydrophobicContact CB-CE2 4.48Å; L306-F342 HydrophobicContact CB-CZ 4.24Å; L306-F342 HydrophobicContact CD2-CD2 4.24Å; L306-F342 HydrophobicContact CD2-CE2 3.84Å; L306-F342 HydrophobicContact CD2-CZ 4.11Å; L306-F342 HydrophobicContact CG-CZ 4.33Å; L306-L361 HydrophobicContact CD2-CD1 3.82Å; L306-L365 HydrophobicContact CD1-CD2 4.02Å
307	V	98.9	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.5	164.7	179.4	0	0	0	0	108.5	V268 I276 L300 Y302 L318 W319 I321	V268-V307 HydrophobicContact CG1-CG1 4.35Å; V268-V307 HydrophobicContact CG1-CG2 4.25Å; I276-V307 HydrophobicContact CD1-CG1 4.08Å; L300-V307 HydrophobicContact CD1-CG1 3.51Å; L300-V307 HydrophobicContact CD2-CG1 4.15Å; L300-V307 HydrophobicContact CG-CG1 3.78Å; Y302-V307 HydrophobicContact CD2-CG2 3.66Å; Y302-V307 HydrophobicContact CE2-CG2 4.45Å; Y302-V307 HydrophobicContact CG-CG2 4.32Å; V307-L318 CarbonylContact O-C 3.48Å; V307-L318 WeakPolarHBondContact O-CA 3.46Å; V307-W319 HydrophobicContact CB-CB 4.16Å; V307-W319 HydrophobicContact CB-CG 4.49Å; V307-W319 PolarHBondContact N-O 2.91Å; V307-W319 PolarHBondContact O-N 3.07Å; V307-I321 HydrophobicContact CG2-CB 4.38Å; V307-I321 HydrophobicContact CG2-CD1 3.66Å
308	V	98.9	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.9	174	-169.3	0	0	0	0	108.8	L300 Q301 L306 I316 R317 L318 I340 F342 I347	L300-V308 CarbonylContact C-O 3.56Å; L300-V308 VanDerWaalsContact CA-O 3.27Å; L300-V308 WeakPolarHBondContact CA-O 3.37Å; Q301-V308 PolarHBondContact N-O 3.12Å; Q301-V308 PolarHBondContact O-N 2.75Å; L306-V308 HydrophobicContact CD2-CG2 3.78Å; L306-V308 HydrophobicContact CG-CG2 3.84Å; V308-I316 HydrophobicContact CG1-CG2 3.64Å; V308-R317 WeakPolarHBondContact CA-O 3.47Å; V308-L318 HydrophobicContact CG1-CD1 4.14Å; V308-L318 HydrophobicContact CG1-CG 4.5Å; V308-L318 HydrophobicContact CG2-CG 4.24Å; V308-I340 HydrophobicContact CG1-CD1 3.51Å; V308-I340 HydrophobicContact CG1-CG1 4.24Å; V308-F342 HydrophobicContact CB-CD1 3.97Å; V308-F342 HydrophobicContact CB-CE1 4.2Å; V308-F342 HydrophobicContact CG2-CD1 3.53Å; V308-F342 HydrophobicContact CG2-CE1 3.64Å; V308-F342 HydrophobicContact CG2-CG 4.05Å; V308-F342 HydrophobicContact CG2-CZ 4.26Å; V308-I347 HydrophobicContact CG1-CD1 4.21Å; V308-I347 HydrophobicContact CG1-CG2 4.32Å
309	S	98.9	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.1	-174.4	59.6	0	0	0	0	112.9	H293 C299 I316 R317 W319	H293-S309 PolarHBondContact NE2-OG 3.03Å; C299-S309 WeakPolarHBondContact O-CA 3.36Å; S309-I316 CarbonylContact O-C 3.54Å; S309-I316 WeakPolarHBondContact O-CA 3.49Å; S309-R317 PolarHBondContact N-O 3.31Å; S309-R317 PolarHBondContact O-N 3.34Å; S309-W319 PolarHBondContact OG-NE1 3.37Å
310	G	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.8	173.8	0	0	0	0	0	111.8	I297 A298 C299	I297-G310 WeakPolarHBondContact CG2-O 3.37Å; A298-G310 PolarHBondContact N-O 3.42Å; C299-G310 PolarHBondContact N-O 2.99Å; C299-G310 PolarHBondContact O-N 3.47Å
311	S	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	164.2	-169.9	172	0	0	0	0	113.3	H293 R295 G296 D313 N314 T315 V337	H293-S311 VanDerWaalsContact CE1-CB 3.42Å; H293-S311 WeakPolarHBondContact CE1-CB 3.24Å; H293-S311 WeakPolarHBondContact ND1-CB 3.4Å; R295-S311 PolarHBondContact O-OG 3.3Å; G296-S311 WeakPolarHBondContact O-CA 3.47Å; G296-S311 PolarHBondContact O-OG 3.5Å; S311-D313 VanDerWaalsContact CB-OD1 3.27Å; S311-D313 WeakPolarHBondContact CB-OD1 3.44Å; S311-D313 PolarHBondContact O-N 2.81Å; S311-D313 VanDerWaalsContact OG-CG 3.31Å; S311-D313 PolarHBondContact OG-N 2.98Å; S311-D313 VanDerWaalsContact OG-N 3.16Å; S311-D313 PolarHBondContact OG-OD1 3.04Å; S311-N314 PolarHBondContact O-N 3.26Å; S311-T315 PolarHBondContact N-O 3.44Å; S311-V337 PolarHBondContact O-N 2.76Å
312	S	98.8	Very high	98.5	Very high	31 Å²	31	28.3 Å²	28.3	22%	0.217	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-1.2	167	-46.1	0	0	0	0	114.1	R295 G296 L336	R295-S312 WeakPolarHBondContact CD-O 3.39Å; G296-S312 PolarHBondContact O-N 2.86Å; G296-S312 PolarHBondContact O-OG 3.19Å; S312-L336 WeakPolarHBondContact OG-CD1 3.47Å
313	D	98.7	Very high	98.5	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.144	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	8.5	167.6	69.1	15.9	0	0	0	113	H293 K294 R295 S311 T315	H293-D313 WeakPolarHBondContact CA-OD2 3.19Å; H293-D313 IonicContact CE1-OD1 3.4Å; H293-D313 IonicContact CG-OD2 3.94Å; H293-D313 IonicContact ND1-OD1 2.87Å; H293-D313 PolarHBondContact ND1-OD1 3.47Å; H293-D313 IonicContact ND1-OD2 3.65Å; H293-D313 PolarHBondContact ND1-OD2 3.37Å; K294-D313 HydrophobicContact CB-CB 3.96Å; K294-D313 PolarHBondContact N-OD2 3.24Å; R295-D313 HydrophobicContact CB-CB 4.09Å; R295-D313 HydrophobicContact CG-CB 4.23Å; S311-D313 VanDerWaalsContact CB-OD1 3.27Å; S311-D313 WeakPolarHBondContact CB-OD1 3.44Å; S311-D313 PolarHBondContact O-N 2.81Å; S311-D313 VanDerWaalsContact OG-CG 3.31Å; S311-D313 PolarHBondContact OG-N 2.98Å; S311-D313 VanDerWaalsContact OG-N 3.16Å; S311-D313 PolarHBondContact OG-OD1 3.04Å; D313-T315 VanDerWaalsContact CG-OG1 3.3Å; D313-T315 PolarHBondContact O-N 2.97Å; D313-T315 WeakPolarHBondContact OD1-CB 3.1Å; D313-T315 PolarHBondContact OD1-N 3.37Å; D313-T315 PolarHBondContact OD1-OG1 2.89Å; D313-T315 PolarHBondContact OD2-OG1 2.85Å
314	N	98.8	Very high	98.5	Very high	48 Å²	48	28.6 Å²	28.6	26%	0.257	15%	0.151	S	C	.	.	S	Bend	trans	66	6.8	179.4	-54.2	-3.1	0	0	0	114.4	S311 H333 E334 E335 L336	S311-N314 PolarHBondContact O-N 3.26Å; N314-H333 WeakPolarHBondContact CB-O 3.5Å; N314-E334 VanDerWaalsContact ND2-C 3.27Å; N314-E334 PolarHBondContact ND2-O 3.46Å; N314-E335 PolarHBondContact OD1-O 2.91Å; N314-L336 PolarHBondContact OD1-N 3.09Å
315	T	98.9	Very high	98.6	Very high	17 Å²	17	25.4 Å²	25.4	10%	0.104	14%	0.14	C	C	.	.			trans	-101.8	155.3	178.8	73.2	0	0	0	0	112.1	H293 S311 D313 V329 L330 E331	H293-T315 PolarHBondContact ND1-OG1 2.93Å; S311-T315 PolarHBondContact N-O 3.44Å; D313-T315 VanDerWaalsContact CG-OG1 3.3Å; D313-T315 PolarHBondContact O-N 2.97Å; D313-T315 WeakPolarHBondContact OD1-CB 3.1Å; D313-T315 PolarHBondContact OD1-N 3.37Å; D313-T315 PolarHBondContact OD1-OG1 2.89Å; D313-T315 PolarHBondContact OD2-OG1 2.85Å; T315-V329 HydrophobicContact CG2-CG1 4.03Å; T315-L330 WeakPolarHBondContact CA-O 3.21Å; T315-E331 HydrophobicContact CG2-CG 4.3Å
316	I	98.9	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.4	163.9	-63.2	161.5	0	0	0	108	V308 S309 L318 V329 L330 V337 I340 S349 W359	V308-I316 HydrophobicContact CG1-CG2 3.64Å; S309-I316 CarbonylContact O-C 3.54Å; S309-I316 WeakPolarHBondContact O-CA 3.49Å; I316-L318 HydrophobicContact CG2-CD1 4.24Å; I316-V329 CarbonylContact O-C 3.51Å; I316-V329 WeakPolarHBondContact O-CA 3.45Å; I316-L330 HydrophobicContact CB-CB 4.09Å; I316-L330 HydrophobicContact CB-CD1 4.21Å; I316-L330 HydrophobicContact CB-CG 4.37Å; I316-L330 HydrophobicContact CG2-CD1 4.01Å; I316-L330 HydrophobicContact CG2-CG 4.47Å; I316-L330 PolarHBondContact N-O 3.43Å; I316-L330 PolarHBondContact O-N 2.82Å; I316-V337 HydrophobicContact CD1-CG1 4.18Å; I316-V337 HydrophobicContact CG1-CG1 3.92Å; I316-V337 HydrophobicContact CG1-CG2 4.16Å; I316-I340 HydrophobicContact CB-CD1 4.27Å; I316-I340 HydrophobicContact CD1-CD1 3.79Å; I316-I340 HydrophobicContact CG1-CD1 3.82Å; I316-I340 HydrophobicContact CG2-CD1 3.45Å; I316-I340 VanDerWaalsContact CG2-CD1 3.45Å; I316-S349 WeakPolarHBondContact CD1-OG 3.48Å; I316-W359 HydrophobicContact CD1-CZ2 4.02Å
317	R	98.9	Very high	98.6	Very high	34 Å²	34	23.6 Å²	23.6	13%	0.128	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.4	176.3	-68	-176.4	174.1	-130.1	0.7	111.5	G292 V308 S309 W319 R328 V329	G292-R317 PolarHBondContact O-NH1 2.76Å; G292-R317 PolarHBondContact O-NH2 3.21Å; V308-R317 WeakPolarHBondContact CA-O 3.47Å; S309-R317 PolarHBondContact N-O 3.31Å; S309-R317 PolarHBondContact O-N 3.34Å; R317-W319 HydrophobicContact CB-CD2 4.46Å; R317-W319 HydrophobicContact CB-CZ2 3.61Å; R317-W319 VanDerWaalsContact CB-NE1 3.34Å; R317-W319 HydrophobicContact CG-CZ2 4.08Å; R317-W319 PolarHBondContact O-NE1 3.31Å; R317-R328 WeakPolarHBondContact CA-O 3.29Å; R317-V329 HydrophobicContact CG-CG1 4.41Å; R317-V329 HydrophobicContact CG-CG2 4.23Å
318	L	98.8	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.3	172.8	-78.4	66	0	0	0	107.8	L306 V307 V308 I316 C326 L327 R328 L330 I347 L361 A364 L365	L306-L318 HydrophobicContact CD1-CB 4.09Å; L306-L318 HydrophobicContact CD1-CD2 4.48Å; L306-L318 HydrophobicContact CD1-CG 4.32Å; V307-L318 CarbonylContact O-C 3.48Å; V307-L318 WeakPolarHBondContact O-CA 3.46Å; V308-L318 HydrophobicContact CG1-CD1 4.14Å; V308-L318 HydrophobicContact CG1-CG 4.5Å; V308-L318 HydrophobicContact CG2-CG 4.24Å; I316-L318 HydrophobicContact CG2-CD1 4.24Å; L318-C326 CarbonylContact O-C 3.5Å; L318-C326 WeakPolarHBondContact O-CA 3.35Å; L318-L327 HydrophobicContact CB-CB 4.31Å; L318-L327 PolarHBondContact O-N 2.92Å; L318-R328 HydrophobicContact CB-CB 4.25Å; L318-R328 HydrophobicContact CD2-CB 4.41Å; L318-R328 PolarHBondContact N-O 2.93Å; L318-L330 HydrophobicContact CD1-CD1 3.97Å; L318-L330 HydrophobicContact CD1-CG 4.14Å; L318-I347 HydrophobicContact CD1-CD1 3.88Å; L318-I347 HydrophobicContact CD2-CD1 4.23Å; L318-I347 HydrophobicContact CG-CD1 4.36Å; L318-L361 HydrophobicContact CD2-CD1 4.03Å; L318-A364 HydrophobicContact CD2-CB 3.95Å; L318-L365 HydrophobicContact CD2-CD2 3.84Å; L318-L365 HydrophobicContact CD2-CG 4.25Å
319	W	98.8	Very high	98.6	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.9	-177	-40.8	78.8	0	0	0	111.7	I276 L290 N291 H293 V307 S309 R317 A325 C326	I276-W319 HydrophobicContact CD1-CZ2 4.43Å; L290-W319 HydrophobicContact CB-CD2 4.34Å; L290-W319 HydrophobicContact CB-CE3 4.01Å; L290-W319 HydrophobicContact CB-CZ3 4.18Å; L290-W319 HydrophobicContact CD1-CB 3.88Å; L290-W319 HydrophobicContact CD1-CD2 4.23Å; L290-W319 HydrophobicContact CD1-CE3 4.47Å; L290-W319 HydrophobicContact CD1-CG 3.99Å; N291-W319 WeakPolarHBondContact O-CH2 3.32Å; N291-W319 WeakPolarHBondContact O-CZ3 3.49Å; H293-W319 AromaticContact CD2-CZ2 3.94Å; V307-W319 HydrophobicContact CB-CB 4.16Å; V307-W319 HydrophobicContact CB-CG 4.49Å; V307-W319 PolarHBondContact N-O 2.91Å; V307-W319 PolarHBondContact O-N 3.07Å; S309-W319 PolarHBondContact OG-NE1 3.37Å; R317-W319 HydrophobicContact CB-CD2 4.46Å; R317-W319 HydrophobicContact CB-CZ2 3.61Å; R317-W319 VanDerWaalsContact CB-NE1 3.34Å; R317-W319 HydrophobicContact CG-CZ2 4.08Å; R317-W319 PolarHBondContact O-NE1 3.31Å; W319-A325 VanDerWaalsContact CA-O 3.28Å; W319-A325 WeakPolarHBondContact CA-O 3.24Å; W319-C326 HydrophobicContact CD2-CB 4.42Å; W319-C326 HydrophobicContact CE3-CB 3.71Å; W319-C326 HydrophobicContact CH2-CB 4.32Å; W319-C326 HydrophobicContact CZ3-CB 3.65Å
320	D	98.6	Very high	98.6	Very high	17 Å²	17	28.5 Å²	28.5	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.6	165.9	-169.8	-89.7	0	0	0	109.9	R305 E322 C323 G324 A325 L327	R305-D320 WeakPolarHBondContact CD-OD2 3.31Å; R305-D320 IonicContact CZ-OD1 3.05Å; R305-D320 IonicContact CZ-OD2 2.63Å; R305-D320 IonicContact NE-OD1 2.75Å; R305-D320 PolarHBondContact NE-OD1 2.98Å; R305-D320 VanDerWaalsContact NE-OD1 3.09Å; R305-D320 IonicContact NE-OD2 3.05Å; R305-D320 PolarHBondContact NE-OD2 3.03Å; R305-D320 VanDerWaalsContact NH2-CG 3.31Å; R305-D320 IonicContact NH2-OD1 2.73Å; R305-D320 PolarHBondContact NH2-OD1 2.89Å; R305-D320 IonicContact NH2-OD2 3.52Å; R305-D320 PolarHBondContact NH2-OD2 3.26Å; R305-D320 VanDerWaalsContact NH2-OD2 3.07Å; D320-E322 VanDerWaalsContact C-N 3.3Å; D320-E322 PolarHBondContact O-N 2.94Å; D320-E322 WeakPolarHBondContact OD1-CB 3.22Å; D320-E322 PolarHBondContact OD1-N 3.25Å; D320-E322 VanDerWaalsContact OD1-N 3.15Å; D320-C323 VanDerWaalsContact CB-SG 3.54Å; D320-C323 VanDerWaalsContact CG-SG 3.59Å; D320-C323 PolarHBondContact OD1-N 3.43Å; D320-C323 PolarHBondContact OD1-SG 2.9Å; D320-G324 WeakPolarHBondContact O-CA 3.44Å; D320-G324 PolarHBondContact O-N 2.97Å; D320-A325 PolarHBondContact N-O 3Å; D320-L327 HydrophobicContact CB-CD1 4.26Å; D320-L327 HydrophobicContact CB-CD2 4.17Å; D320-L327 HydrophobicContact CB-CG 4.29Å
321	I	98.6	Very high	98.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-32.3	-176.8	-166.8	68.7	0	0	0	112.8	Y266 V268 V278 Y302 R305 V307	Y266-I321 HydrophobicContact CD2-CG1 3.64Å; Y266-I321 HydrophobicContact CD2-CG2 4.42Å; Y266-I321 HydrophobicContact CE2-CG1 4.01Å; Y266-I321 HydrophobicContact CE2-CG2 4.35Å; Y266-I321 HydrophobicContact CG-CG1 4.39Å; V268-I321 HydrophobicContact CG2-CD1 3.84Å; V278-I321 HydrophobicContact CB-CD1 4.28Å; V278-I321 HydrophobicContact CG1-CD1 3.8Å; V278-I321 HydrophobicContact CG1-CG1 4.27Å; V278-I321 HydrophobicContact CG2-CD1 3.44Å; V278-I321 VanDerWaalsContact CG2-CD1 3.44Å; Y302-I321 HydrophobicContact CE2-CB 4.03Å; Y302-I321 HydrophobicContact CE2-CD1 4.29Å; Y302-I321 HydrophobicContact CE2-CG1 3.91Å; Y302-I321 HydrophobicContact CE2-CG2 4.09Å; R305-I321 HydrophobicContact CB-CG2 4.5Å; R305-I321 HydrophobicContact CG-CG2 4.04Å; R305-I321 WeakPolarHBondContact O-CG2 3.49Å; R305-I321 PolarHBondContact O-N 3Å; V307-I321 HydrophobicContact CG2-CB 4.38Å; V307-I321 HydrophobicContact CG2-CD1 3.66Å
322	E	98.2	Very high	98.5	Very high	63 Å²	63	37.6 Å²	37.6	29%	0.294	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-39.4	-171.8	-60.3	-62.5	153.3	0	0	113.2	K265 Y266 R288 R305 D320	K265-E322 IonicContact NZ-OE1 2.83Å; K265-E322 PolarHBondContact NZ-OE1 2.9Å; K265-E322 IonicContact NZ-OE2 3.02Å; K265-E322 PolarHBondContact NZ-OE2 3.25Å; Y266-E322 PolarHBondContact OH-OE2 3.45Å; R288-E322 PolarHBondContact NH1-O 2.86Å; R288-E322 PolarHBondContact NH2-O 2.8Å; R305-E322 HydrophobicContact CG-CG 4.11Å; D320-E322 VanDerWaalsContact C-N 3.3Å; D320-E322 PolarHBondContact O-N 2.94Å; D320-E322 WeakPolarHBondContact OD1-CB 3.22Å; D320-E322 PolarHBondContact OD1-N 3.25Å; D320-E322 VanDerWaalsContact OD1-N 3.15Å
323	C	97.6	Very high	98.4	Very high	74 Å²	74	36.6 Å²	36.6	50%	0.5	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-17.9	176	72	0	0	0	0	112.8	R288 D320 A325	R288-C323 PolarHBondContact NH1-O 3.31Å; D320-C323 VanDerWaalsContact CB-SG 3.54Å; D320-C323 VanDerWaalsContact CG-SG 3.59Å; D320-C323 PolarHBondContact OD1-N 3.43Å; D320-C323 PolarHBondContact OD1-SG 2.9Å; C323-A325 VanDerWaalsContact C-N 3.26Å; C323-A325 WeakPolarHBondContact SG-CB 3.34Å; C323-A325 PolarHBondContact SG-N 2.98Å
324	G	98	Very high	98.4	Very high	19 Å²	19	41.3 Å²	41.3	20%	0.196	23%	0.234	C	C	.	.			trans	75.6	10.7	-177.4	0	0	0	0	0	114.6	D320	D320-G324 WeakPolarHBondContact O-CA 3.44Å; D320-G324 PolarHBondContact O-N 2.97Å
325	A	98.3	Very high	98.4	Very high	46 Å²	46	43.6 Å²	43.6	38%	0.38	24%	0.243	S	C	.	.			trans	-72.3	139.7	-179.9	0	0	0	0	0	111.5	W319 D320 C323 L327	W319-A325 VanDerWaalsContact CA-O 3.28Å; W319-A325 WeakPolarHBondContact CA-O 3.24Å; D320-A325 PolarHBondContact N-O 3Å; C323-A325 VanDerWaalsContact C-N 3.26Å; C323-A325 WeakPolarHBondContact SG-CB 3.34Å; C323-A325 PolarHBondContact SG-N 2.98Å; A325-L327 PolarHBondContact O-N 2.96Å
326	C	98.5	Very high	98.4	Very high	48 Å²	48	43.9 Å²	43.9	32%	0.324	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108.1	167.5	-172.8	0	0	0	0	108.7	L318 W319	L318-C326 CarbonylContact O-C 3.5Å; L318-C326 WeakPolarHBondContact O-CA 3.35Å; W319-C326 HydrophobicContact CD2-CB 4.42Å; W319-C326 HydrophobicContact CE3-CB 3.71Å; W319-C326 HydrophobicContact CH2-CB 4.32Å; W319-C326 HydrophobicContact CZ3-CB 3.65Å
327	L	98.2	Very high	98.4	Very high	67 Å²	67	43.9 Å²	43.9	35%	0.351	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-36.2	-177.1	-59.1	176.8	0	0	0	112.5	L306 L318 D320 A325 L365	L306-L327 HydrophobicContact CD1-CD1 4.13Å; L318-L327 HydrophobicContact CB-CB 4.31Å; L318-L327 PolarHBondContact O-N 2.92Å; D320-L327 HydrophobicContact CB-CD1 4.26Å; D320-L327 HydrophobicContact CB-CD2 4.17Å; D320-L327 HydrophobicContact CB-CG 4.29Å; A325-L327 PolarHBondContact O-N 2.96Å; L327-L365 HydrophobicContact CD1-CD2 4.04Å
328	R	98.3	Very high	98.4	Very high	48 Å²	48	44.9 Å²	44.9	18%	0.181	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	146.6	-178.3	-170	66.4	55.5	-142.5	-37	110.7	R317 L318 L330 A364 L374	R317-R328 WeakPolarHBondContact CA-O 3.29Å; L318-R328 HydrophobicContact CB-CB 4.25Å; L318-R328 HydrophobicContact CD2-CB 4.41Å; L318-R328 PolarHBondContact N-O 2.93Å; R328-L330 HydrophobicContact CG-CD2 3.6Å; R328-L330 HydrophobicContact CG-CG 4.47Å; R328-A364 WeakPolarHBondContact CB-O 3.37Å; R328-A364 HydrophobicContact CG-CB 4.4Å; R328-A364 WeakPolarHBondContact CG-O 3.35Å; R328-A364 PolarHBondContact NE-O 3.3Å; R328-L374 HydrophobicContact CG-CD1 4.28Å
329	V	98.6	Very high	98.4	Very high	53 Å²	53	45 Å²	45	32%	0.321	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.5	163.9	-173.8	0	0	0	0	107.4	T315 I316 R317 E331	T315-V329 HydrophobicContact CG2-CG1 4.03Å; I316-V329 CarbonylContact O-C 3.51Å; I316-V329 WeakPolarHBondContact O-CA 3.45Å; R317-V329 HydrophobicContact CG-CG1 4.41Å; R317-V329 HydrophobicContact CG-CG2 4.23Å; V329-E331 HydrophobicContact CG1-CG 4.32Å
330	L	98.7	Very high	98.4	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.2	173.4	-45.3	176	0	0	0	108.8	T315 I316 L318 R328 I347 W359 A364 L374	T315-L330 WeakPolarHBondContact CA-O 3.21Å; I316-L330 HydrophobicContact CB-CB 4.09Å; I316-L330 HydrophobicContact CB-CD1 4.21Å; I316-L330 HydrophobicContact CB-CG 4.37Å; I316-L330 HydrophobicContact CG2-CD1 4.01Å; I316-L330 HydrophobicContact CG2-CG 4.47Å; I316-L330 PolarHBondContact N-O 3.43Å; I316-L330 PolarHBondContact O-N 2.82Å; L318-L330 HydrophobicContact CD1-CD1 3.97Å; L318-L330 HydrophobicContact CD1-CG 4.14Å; R328-L330 HydrophobicContact CG-CD2 3.6Å; R328-L330 HydrophobicContact CG-CG 4.47Å; L330-I347 HydrophobicContact CD1-CD1 3.92Å; L330-W359 HydrophobicContact CB-CD2 4.49Å; L330-W359 HydrophobicContact CB-CE3 3.99Å; L330-W359 HydrophobicContact CB-CH2 4.18Å; L330-W359 HydrophobicContact CB-CZ3 3.82Å; L330-W359 HydrophobicContact CD1-CB 4.26Å; L330-W359 HydrophobicContact CD1-CD2 3.9Å; L330-W359 HydrophobicContact CD1-CE3 3.97Å; L330-W359 HydrophobicContact CD1-CG 4.03Å; L330-W359 HydrophobicContact CD2-CE3 4.5Å; L330-W359 HydrophobicContact CG-CE3 4.39Å; L330-A364 HydrophobicContact CD2-CB 4.07Å; L330-L374 HydrophobicContact CD2-CB 4.32Å; L330-L374 HydrophobicContact CD2-CD1 3.47Å; L330-L374 VanDerWaalsContact CD2-CD1 3.47Å; L330-L374 HydrophobicContact CD2-CG 4.49Å
331	E	98.3	Very high	98.4	Very high	150 Å²	150	46.3 Å²	46.3	70%	0.701	25%	0.252	S	S	*	.			trans	-113.5	156.2	178.1	-61.9	-177.3	152.1	0	0	109.8	T315 V329 W359	T315-E331 HydrophobicContact CG2-CG 4.3Å; V329-E331 HydrophobicContact CG1-CG 4.32Å; E331-W359 VanDerWaalsContact O-CH2 3.32Å; E331-W359 WeakPolarHBondContact O-CH2 3.49Å; E331-W359 WeakPolarHBondContact O-CZ3 3.42Å
332	G	97.3	Very high	98.4	Very high	40 Å²	40	46.8 Å²	46.8	41%	0.412	25%	0.254	S	S	.	.			trans	131.3	-10.2	173.9	0	0	0	0	0	115.2	K357	G332-K357 WeakPolarHBondContact O-CE 3.46Å; G332-K357 PolarHBondContact O-NZ 2.86Å; G332-K357 VanDerWaalsContact O-NZ 3.09Å
333	H	98.5	Very high	98.3	Very high	11 Å²	11	45.3 Å²	45.3	5%	0.051	25%	0.248	C	C	.	.			trans	-72.4	138.1	161.3	-84.4	-59.4	0	0	0	109.3	N314 V337 S349 A351 W359	N314-H333 WeakPolarHBondContact CB-O 3.5Å; H333-V337 HydrophobicContact CB-CG2 4.02Å; H333-S349 PolarHBondContact NE2-OG 3.09Å; H333-A351 WeakPolarHBondContact ND1-CB 3.44Å; H333-W359 AromaticContact CD2-CZ2 3.92Å
334	E	98.3	Very high	98.1	Very high	125 Å²	125	46.7 Å²	46.7	58%	0.584	25%	0.251	S	S	*	.	S	Bend	trans	-92.1	-14.7	-179	-70.8	161.3	-148.3	0	0	111.9	N314 K355	N314-E334 VanDerWaalsContact ND2-C 3.27Å; N314-E334 PolarHBondContact ND2-O 3.46Å; E334-K355 IonicContact OE1-NZ 3.64Å; E334-K355 PolarHBondContact OE1-NZ 3.36Å; E334-K355 IonicContact OE2-NZ 2.91Å; E334-K355 PolarHBondContact OE2-NZ 2.87Å
335	E	98.7	Very high	97.9	Very high	96 Å²	96	48.4 Å²	48.4	45%	0.449	25%	0.253	S	S	.	.	S	Bend	trans	-135.8	173.2	-177	-80	-67.1	168.9	0	0	111.1	N314 V337 D353	N314-E335 PolarHBondContact OD1-O 2.91Å; E335-V337 PolarHBondContact O-N 3.06Å; E335-D353 HydrophobicContact CB-CB 4.06Å; E335-D353 HydrophobicContact CG-CB 3.89Å
336	L	98.7	Very high	97.8	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.12	24%	0.235	C	C	.	.			trans	-49.8	128.4	-179.7	179.2	159.8	0	0	0	112	A298 S312 N314 R338 A351 Y352	A298-L336 HydrophobicContact CB-CD2 3.8Å; A298-L336 HydrophobicContact CB-CG 4.46Å; S312-L336 WeakPolarHBondContact OG-CD1 3.47Å; N314-L336 PolarHBondContact OD1-N 3.09Å; L336-R338 HydrophobicContact CD2-CB 3.72Å; L336-R338 HydrophobicContact CD2-CG 4.49Å; L336-R338 PolarHBondContact O-N 3.25Å; L336-A351 CarbonylContact O-C 3.48Å; L336-A351 WeakPolarHBondContact O-CA 3.44Å; L336-A351 WeakPolarHBondContact O-CB 3.41Å; L336-Y352 HydrophobicContact CB-CD2 4.02Å; L336-Y352 HydrophobicContact CB-CE2 4.48Å; L336-Y352 HydrophobicContact CB-CG 4.08Å; L336-Y352 HydrophobicContact CD1-CD2 4.37Å; L336-Y352 HydrophobicContact CD1-CE2 4.01Å; L336-Y352 HydrophobicContact CD2-CD1 3.99Å; L336-Y352 HydrophobicContact CD2-CD2 4.48Å; L336-Y352 HydrophobicContact CD2-CE1 3.91Å; L336-Y352 HydrophobicContact CD2-CE2 4.35Å; L336-Y352 HydrophobicContact CD2-CG 4.31Å; L336-Y352 PolarHBondContact O-N 2.87Å
337	V	98.9	Very high	97.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	101.8	175.3	-171.8	0	0	0	0	109.6	C299 S311 I316 H333 E335	C299-V337 PolarHBondContact SG-O 2.92Å; S311-V337 PolarHBondContact O-N 2.76Å; I316-V337 HydrophobicContact CD1-CG1 4.18Å; I316-V337 HydrophobicContact CG1-CG1 3.92Å; I316-V337 HydrophobicContact CG1-CG2 4.16Å; H333-V337 HydrophobicContact CB-CG2 4.02Å; E335-V337 PolarHBondContact O-N 3.06Å
338	R	98.9	Very high	97.9	Very high	56 Å²	56	41 Å²	41	21%	0.211	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-31.6	-165.8	177	59.6	-173.5	96.2	-5	113.7	A298 C299 L336 G350 Y352 V386 F387	A298-R338 PolarHBondContact O-NH1 2.98Å; C299-R338 WeakPolarHBondContact CB-O 3.35Å; L336-R338 HydrophobicContact CD2-CB 3.72Å; L336-R338 HydrophobicContact CD2-CG 4.49Å; L336-R338 PolarHBondContact O-N 3.25Å; R338-G350 PolarHBondContact N-O 2.86Å; R338-Y352 HydrophobicContact CB-CD1 3.73Å; R338-Y352 HydrophobicContact CB-CE1 3.71Å; R338-Y352 HydrophobicContact CG-CD1 4.08Å; R338-Y352 HydrophobicContact CG-CE1 3.59Å; R338-V386 WeakPolarHBondContact CB-O 3.26Å; R338-V386 VanDerWaalsContact CG-O 3.24Å; R338-V386 WeakPolarHBondContact CG-O 3.47Å; R338-F387 HydrophobicContact CG-CD1 4.22Å
339	C	98.8	Very high	97.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.3	175.4	59	0	0	0	0	111	C299 S349 G350 F387	C299-C339 VanDerWaalsContact SG-C 3.54Å; C339-S349 CarbonylContact O-C 3.5Å; C339-S349 VanDerWaalsContact O-CA 3.29Å; C339-S349 WeakPolarHBondContact O-CA 3.42Å; C339-G350 PolarHBondContact N-O 2.95Å; C339-G350 PolarHBondContact O-N 3.3Å; C339-F387 WeakPolarHBondContact CB-O 3.47Å
340	I	98.9	Very high	97.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	140.5	-178.8	-166	156.8	0	0	0	110	C299 V308 I316 I347 V348	C299-I340 HydrophobicContact CB-CG2 3.94Å; C299-I340 VanDerWaalsContact SG-CG2 3.53Å; V308-I340 HydrophobicContact CG1-CD1 3.51Å; V308-I340 HydrophobicContact CG1-CG1 4.24Å; I316-I340 HydrophobicContact CB-CD1 4.27Å; I316-I340 HydrophobicContact CD1-CD1 3.79Å; I316-I340 HydrophobicContact CG1-CD1 3.82Å; I316-I340 HydrophobicContact CG2-CD1 3.45Å; I316-I340 VanDerWaalsContact CG2-CD1 3.45Å; I340-I347 HydrophobicContact CD1-CG2 3.71Å; I340-I347 HydrophobicContact CG1-CG2 3.72Å; I340-V348 WeakPolarHBondContact CA-O 3.37Å
341	R	98.9	Very high	97.9	Very high	47 Å²	47	36 Å²	36	18%	0.177	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.8	166	-62.1	-61.5	-72.6	169.6	-2.2	110.2	Q301 I347 V348 L389 F391	Q301-R341 VanDerWaalsContact CD-NH1 3.27Å; Q301-R341 VanDerWaalsContact CG-NH1 3.31Å; R341-I347 WeakPolarHBondContact O-CA 3.27Å; R341-V348 PolarHBondContact N-O 2.94Å; R341-V348 PolarHBondContact O-N 2.91Å; R341-L389 HydrophobicContact CB-CD1 3.96Å; R341-L389 HydrophobicContact CG-CD1 3.88Å; R341-L389 WeakPolarHBondContact CG-O 3.45Å; R341-F391 HydrophobicContact CB-CD1 3.84Å; R341-F391 HydrophobicContact CB-CE1 3.7Å
342	F	98.7	Very high	97.9	Very high	10 Å²	10	32.3 Å²	32.3	4%	0.044	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.3	172	75.6	-87.1	0	0	0	112.1	Q301 R303 L306 V308 R346 I347 L361	Q301-F342 HydrophobicContact CB-CD1 3.86Å; Q301-F342 HydrophobicContact CB-CE1 3.77Å; Q301-F342 HydrophobicContact CG-CD1 3.8Å; Q301-F342 HydrophobicContact CG-CE1 3.51Å; Q301-F342 HydrophobicContact CG-CZ 4.44Å; Q301-F342 PolarHBondContact NE2-O 3.49Å; Q301-F342 PolarHBondContact OE1-O 3.41Å; R303-F342 HydrophobicContact CB-CE2 4.19Å; R303-F342 HydrophobicContact CB-CZ 3.7Å; L306-F342 HydrophobicContact CB-CE2 4.48Å; L306-F342 HydrophobicContact CB-CZ 4.24Å; L306-F342 HydrophobicContact CD2-CD2 4.24Å; L306-F342 HydrophobicContact CD2-CE2 3.84Å; L306-F342 HydrophobicContact CD2-CZ 4.11Å; L306-F342 HydrophobicContact CG-CZ 4.33Å; V308-F342 HydrophobicContact CB-CD1 3.97Å; V308-F342 HydrophobicContact CB-CE1 4.2Å; V308-F342 HydrophobicContact CG2-CD1 3.53Å; V308-F342 HydrophobicContact CG2-CE1 3.64Å; V308-F342 HydrophobicContact CG2-CG 4.05Å; V308-F342 HydrophobicContact CG2-CZ 4.26Å; F342-R346 VanDerWaalsContact CA-O 3.26Å; F342-R346 WeakPolarHBondContact CA-O 3.39Å; F342-R346 WeakPolarHBondContact CB-O 3.35Å; F342-I347 HydrophobicContact CB-CB 4.39Å; F342-I347 HydrophobicContact CB-CG1 3.85Å; F342-L361 HydrophobicContact CD2-CD2 4.08Å
343	D	96.3	Very high	98	Very high	31 Å²	31	32.6 Å²	32.6	17%	0.166	15%	0.151	C	C	.	.			trans	-121.8	-156.3	171.1	71.2	-0.3	0	0	0	109.3	R303 K345 R346 L361 F391	R303-D343 PolarHBondContact NH2-O 2.85Å; R303-D343 VanDerWaalsContact NH2-O 3.16Å; D343-K345 VanDerWaalsContact C-N 3.29Å; D343-K345 PolarHBondContact O-N 2.74Å; D343-K345 WeakPolarHBondContact OD1-CA 3.46Å; D343-K345 PolarHBondContact OD1-N 3.26Å; D343-R346 PolarHBondContact N-O 2.88Å; D343-R346 VanDerWaalsContact N-O 3.1Å; D343-R346 PolarHBondContact OD1-N 2.91Å; D343-L361 WeakPolarHBondContact O-CD2 3.3Å; D343-F391 HydrophobicContact CB-CE2 4.03Å; D343-F391 HydrophobicContact CB-CZ 3.89Å; D343-F391 WeakPolarHBondContact OD2-CE2 3.19Å
344	N	92.9	Very high	98	Very high	104 Å²	104	32.1 Å²	32.1	56%	0.556	15%	0.149	S	C	*	.	S	Bend	trans	-77.9	-11.7	179.2	-65.6	-15.7	0	0	0	114	R303 Q362	R303-N344 VanDerWaalsContact CZ-OD1 3.29Å; R303-N344 PolarHBondContact NH1-OD1 3.38Å; R303-N344 PolarHBondContact NH2-OD1 3.25Å; N344-Q362 PolarHBondContact O-NE2 2.85Å
345	K	93.1	Very high	98	Very high	55 Å²	55	28.1 Å²	28.1	24%	0.239	13%	0.13	C	C	.	.	S	Bend	trans	-115.5	-39.5	-170.9	-62.1	174.3	-175.6	168.1	0	112.6	E111 D343 L361 D393	E111-K345 IonicContact OE1-NZ 2.86Å; D343-K345 VanDerWaalsContact C-N 3.29Å; D343-K345 PolarHBondContact O-N 2.74Å; D343-K345 WeakPolarHBondContact OD1-CA 3.46Å; D343-K345 PolarHBondContact OD1-N 3.26Å; K345-L361 WeakPolarHBondContact O-CB 3.26Å; K345-L361 PolarHBondContact O-N 3.03Å; K345-D393 IonicContact NZ-OD1 3.49Å; K345-D393 PolarHBondContact NZ-OD1 3.35Å
346	R	97	Very high	98	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.019	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.5	-164.7	-57.4	177.5	-168.6	102.9	-0.9	112.1	E111 F342 D343 I358 W359	E111-R346 IonicContact OE1-CZ 3.97Å; E111-R346 IonicContact OE1-NH1 3.56Å; E111-R346 IonicContact OE1-NH2 2.84Å; E111-R346 PolarHBondContact OE1-NH2 3.24Å; E111-R346 IonicContact OE2-CZ 3.97Å; E111-R346 IonicContact OE2-NH2 3.45Å; E111-R346 PolarHBondContact OE2-NH2 3.21Å; F342-R346 VanDerWaalsContact CA-O 3.26Å; F342-R346 WeakPolarHBondContact CA-O 3.39Å; F342-R346 WeakPolarHBondContact CB-O 3.35Å; D343-R346 PolarHBondContact N-O 2.88Å; D343-R346 VanDerWaalsContact N-O 3.1Å; D343-R346 PolarHBondContact OD1-N 2.91Å; R346-I358 HydrophobicContact CB-CG2 4.36Å; R346-I358 HydrophobicContact CG-CG2 4.36Å; R346-W359 CarbonylContact C-O 3.58Å; R346-W359 WeakPolarHBondContact CA-O 3.47Å
347	I	98.8	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.5	160.6	-58	162.8	0	0	0	106.7	V308 L318 L330 I340 R341 F342 I358 W359 L361	V308-I347 HydrophobicContact CG1-CD1 4.21Å; V308-I347 HydrophobicContact CG1-CG2 4.32Å; L318-I347 HydrophobicContact CD1-CD1 3.88Å; L318-I347 HydrophobicContact CD2-CD1 4.23Å; L318-I347 HydrophobicContact CG-CD1 4.36Å; L330-I347 HydrophobicContact CD1-CD1 3.92Å; I340-I347 HydrophobicContact CD1-CG2 3.71Å; I340-I347 HydrophobicContact CG1-CG2 3.72Å; R341-I347 WeakPolarHBondContact O-CA 3.27Å; F342-I347 HydrophobicContact CB-CB 4.39Å; F342-I347 HydrophobicContact CB-CG1 3.85Å; I347-I358 CarbonylContact O-C 3.51Å; I347-I358 WeakPolarHBondContact O-CA 3.45Å; I347-W359 HydrophobicContact CB-CB 4.11Å; I347-W359 HydrophobicContact CB-CG 4.37Å; I347-W359 PolarHBondContact N-O 3.39Å; I347-W359 PolarHBondContact O-N 3.15Å; I347-L361 HydrophobicContact CD1-CD1 3.88Å; I347-L361 HydrophobicContact CG1-CB 4.4Å; I347-L361 HydrophobicContact CG1-CD1 3.99Å
348	V	98.9	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.8	172.9	-175	0	0	0	0	108.2	W114 I340 R341 I356 K357 L389 F391 I396	W114-V348 HydrophobicContact CZ3-CG2 4.43Å; I340-V348 WeakPolarHBondContact CA-O 3.37Å; R341-V348 PolarHBondContact N-O 2.94Å; R341-V348 PolarHBondContact O-N 2.91Å; V348-I356 HydrophobicContact CG1-CG2 3.6Å; V348-K357 WeakPolarHBondContact CA-O 3.2Å; V348-L389 HydrophobicContact CB-CD1 3.98Å; V348-L389 HydrophobicContact CG1-CD1 3.85Å; V348-L389 HydrophobicContact CG1-CD2 3.84Å; V348-F391 HydrophobicContact CB-CD1 3.86Å; V348-F391 HydrophobicContact CB-CE1 3.98Å; V348-F391 HydrophobicContact CB-CG 4.42Å; V348-F391 HydrophobicContact CG2-CD1 3.68Å; V348-F391 HydrophobicContact CG2-CD2 4.05Å; V348-F391 HydrophobicContact CG2-CE1 3.7Å; V348-F391 HydrophobicContact CG2-CE2 4.08Å; V348-F391 HydrophobicContact CG2-CG 3.85Å; V348-F391 HydrophobicContact CG2-CZ 3.91Å; V348-I396 HydrophobicContact CG1-CD1 3.86Å; V348-I396 HydrophobicContact CG1-CG1 4.33Å; V348-I396 HydrophobicContact CG1-CG2 4.45Å; V348-I396 HydrophobicContact CG2-CD1 4.45Å
349	S	98.9	Very high	98	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.3	-177.2	56.2	0	0	0	0	112.6	I316 H333 C339 I356 K357 W359	I316-S349 WeakPolarHBondContact CD1-OG 3.48Å; H333-S349 PolarHBondContact NE2-OG 3.09Å; C339-S349 CarbonylContact O-C 3.5Å; C339-S349 VanDerWaalsContact O-CA 3.29Å; C339-S349 WeakPolarHBondContact O-CA 3.42Å; S349-I356 CarbonylContact O-C 3.49Å; S349-I356 VanDerWaalsContact O-CA 3.26Å; S349-I356 WeakPolarHBondContact O-CA 3.08Å; S349-K357 PolarHBondContact N-O 2.63Å; S349-K357 PolarHBondContact O-N 3.07Å; S349-W359 PolarHBondContact OG-NE1 2.63Å
350	G	98.9	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.8	177.3	0	0	0	0	0	111.5	R338 C339 K355	R338-G350 PolarHBondContact N-O 2.86Å; C339-G350 PolarHBondContact N-O 2.95Å; C339-G350 PolarHBondContact O-N 3.3Å; G350-K355 WeakPolarHBondContact CA-O 3.42Å
351	A	98.9	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	174.2	-176.2	0	0	0	0	0	113.4	H333 L336 D353 G354 K355 V386	H333-A351 WeakPolarHBondContact ND1-CB 3.44Å; L336-A351 CarbonylContact O-C 3.48Å; L336-A351 WeakPolarHBondContact O-CA 3.44Å; L336-A351 WeakPolarHBondContact O-CB 3.41Å; A351-D353 VanDerWaalsContact C-N 3.25Å; A351-D353 WeakPolarHBondContact CB-OD1 3.12Å; A351-D353 PolarHBondContact O-N 3.35Å; A351-G354 PolarHBondContact O-N 2.95Å; A351-K355 PolarHBondContact N-O 3.27Å; A351-V386 PolarHBondContact O-N 2.81Å; A351-V386 VanDerWaalsContact O-N 3.07Å
352	Y	98.6	Very high	97.7	Very high	72 Å²	72	26.1 Å²	26.1	28%	0.282	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.4	-179.8	-93.3	17.3	0	0	0	114.8	L336 R338 G354 R385 F387	L336-Y352 HydrophobicContact CB-CD2 4.02Å; L336-Y352 HydrophobicContact CB-CE2 4.48Å; L336-Y352 HydrophobicContact CB-CG 4.08Å; L336-Y352 HydrophobicContact CD1-CD2 4.37Å; L336-Y352 HydrophobicContact CD1-CE2 4.01Å; L336-Y352 HydrophobicContact CD2-CD1 3.99Å; L336-Y352 HydrophobicContact CD2-CD2 4.48Å; L336-Y352 HydrophobicContact CD2-CE1 3.91Å; L336-Y352 HydrophobicContact CD2-CE2 4.35Å; L336-Y352 HydrophobicContact CD2-CG 4.31Å; L336-Y352 PolarHBondContact O-N 2.87Å; R338-Y352 HydrophobicContact CB-CD1 3.73Å; R338-Y352 HydrophobicContact CB-CE1 3.71Å; R338-Y352 HydrophobicContact CG-CD1 4.08Å; R338-Y352 HydrophobicContact CG-CE1 3.59Å; Y352-G354 VanDerWaalsContact C-N 3.27Å; Y352-G354 PolarHBondContact O-N 3.23Å; Y352-R385 HydrophobicContact CD1-CB 3.7Å; Y352-R385 HydrophobicContact CD1-CG 3.72Å; Y352-R385 HydrophobicContact CD2-CG 4.3Å; Y352-R385 HydrophobicContact CE1-CB 4.09Å; Y352-R385 HydrophobicContact CE1-CG 4.19Å; Y352-R385 HydrophobicContact CG-CB 4.24Å; Y352-R385 HydrophobicContact CG-CG 3.75Å; Y352-R385 WeakPolarHBondContact O-CG 3.3Å; Y352-F387 HydrophobicContact CE1-CE1 4.49Å
353	D	98.3	Very high	97.6	Very high	45 Å²	45	26.4 Å²	26.4	24%	0.241	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3	172.8	62.9	-2.6	0	0	0	113.6	E335 A351 K355	E335-D353 HydrophobicContact CB-CB 4.06Å; E335-D353 HydrophobicContact CG-CB 3.89Å; A351-D353 VanDerWaalsContact C-N 3.25Å; A351-D353 WeakPolarHBondContact CB-OD1 3.12Å; A351-D353 PolarHBondContact O-N 3.35Å; D353-K355 VanDerWaalsContact C-N 3.26Å; D353-K355 PolarHBondContact O-N 2.73Å; D353-K355 WeakPolarHBondContact OD1-CB 3.41Å; D353-K355 PolarHBondContact OD1-N 3.35Å; D353-K355 WeakPolarHBondContact OD2-CD 3.28Å; D353-K355 WeakPolarHBondContact OD2-CE 3.31Å; D353-K355 WeakPolarHBondContact OD2-CG 3.46Å; D353-K355 IonicContact OD2-NZ 3.71Å
354	G	98.4	Very high	97.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	12%	0.121	C	C	.	.	S	Bend	trans	81.7	-2.5	-177.7	0	0	0	0	0	114.6	A351 Y352 G384	A351-G354 PolarHBondContact O-N 2.95Å; Y352-G354 VanDerWaalsContact C-N 3.27Å; Y352-G354 PolarHBondContact O-N 3.23Å; G354-G384 WeakPolarHBondContact CA-O 3.5Å
355	K	98.7	Very high	97.9	Very high	42 Å²	42	23 Å²	23	18%	0.183	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.2	179.6	-57.2	-176.9	-168.5	152.7	0	110.9	E334 G350 A351 D353 T378 V380	E334-K355 IonicContact OE1-NZ 3.64Å; E334-K355 PolarHBondContact OE1-NZ 3.36Å; E334-K355 IonicContact OE2-NZ 2.91Å; E334-K355 PolarHBondContact OE2-NZ 2.87Å; G350-K355 WeakPolarHBondContact CA-O 3.42Å; A351-K355 PolarHBondContact N-O 3.27Å; D353-K355 VanDerWaalsContact C-N 3.26Å; D353-K355 PolarHBondContact O-N 2.73Å; D353-K355 WeakPolarHBondContact OD1-CB 3.41Å; D353-K355 PolarHBondContact OD1-N 3.35Å; D353-K355 WeakPolarHBondContact OD2-CD 3.28Å; D353-K355 WeakPolarHBondContact OD2-CE 3.31Å; D353-K355 WeakPolarHBondContact OD2-CG 3.46Å; D353-K355 IonicContact OD2-NZ 3.71Å; K355-T378 HydrophobicContact CB-CG2 4.02Å; K355-T378 HydrophobicContact CD-CG2 3.99Å; K355-T378 HydrophobicContact CG-CG2 4.33Å; K355-V380 HydrophobicContact CD-CG2 4.46Å; K355-V380 HydrophobicContact CG-CG2 4.07Å
356	I	98.9	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.6	167.6	-64.1	175.1	0	0	0	108.2	V348 S349 T378 L379 V386 L389 W408	V348-I356 HydrophobicContact CG1-CG2 3.6Å; S349-I356 CarbonylContact O-C 3.49Å; S349-I356 VanDerWaalsContact O-CA 3.26Å; S349-I356 WeakPolarHBondContact O-CA 3.08Å; I356-T378 CarbonylContact O-C 3.48Å; I356-T378 WeakPolarHBondContact O-CA 3.25Å; I356-L379 HydrophobicContact CB-CB 4.29Å; I356-L379 HydrophobicContact CG2-CD1 4.42Å; I356-L379 PolarHBondContact N-O 3.12Å; I356-L379 PolarHBondContact O-N 3.34Å; I356-V386 HydrophobicContact CD1-CG1 4.34Å; I356-V386 HydrophobicContact CG1-CG1 4.29Å; I356-V386 HydrophobicContact CG1-CG2 4.13Å; I356-L389 HydrophobicContact CG2-CD2 4.42Å; I356-W408 HydrophobicContact CD1-CZ2 3.98Å
357	K	98.8	Very high	98	Very high	18 Å²	18	27 Å²	27	8%	0.078	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.9	175.4	-71	-178.8	-173.7	-87.5	0	111.2	G332 V348 S349 W359 K377 T378	G332-K357 WeakPolarHBondContact O-CE 3.46Å; G332-K357 PolarHBondContact O-NZ 2.86Å; G332-K357 VanDerWaalsContact O-NZ 3.09Å; V348-K357 WeakPolarHBondContact CA-O 3.2Å; S349-K357 PolarHBondContact N-O 2.63Å; S349-K357 PolarHBondContact O-N 3.07Å; K357-W359 HydrophobicContact CB-CZ2 3.75Å; K357-W359 HydrophobicContact CD-CH2 3.93Å; K357-W359 HydrophobicContact CD-CZ2 3.49Å; K357-W359 VanDerWaalsContact CD-CZ2 3.49Å; K357-W359 HydrophobicContact CG-CZ2 4.26Å; K357-W359 PolarHBondContact O-NE1 3.5Å; K357-K377 WeakPolarHBondContact CA-O 3.32Å; K357-T378 HydrophobicContact CG-CG2 4.09Å; K357-T378 PolarHBondContact NZ-OG1 3.13Å
358	I	98.6	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.8	175.7	-49.9	177.5	0	0	0	107.5	W114 R346 I347 I376 K377 L379 I396 F410	W114-I358 HydrophobicContact CE3-CD1 3.75Å; W114-I358 HydrophobicContact CE3-CG2 4.27Å; W114-I358 HydrophobicContact CZ3-CD1 3.91Å; W114-I358 HydrophobicContact CZ3-CG2 4.47Å; R346-I358 HydrophobicContact CB-CG2 4.36Å; R346-I358 HydrophobicContact CG-CG2 4.36Å; I347-I358 CarbonylContact O-C 3.51Å; I347-I358 WeakPolarHBondContact O-CA 3.45Å; I358-I376 HydrophobicContact CB-CB 4.42Å; I358-I376 HydrophobicContact CG2-CB 4.36Å; I358-I376 HydrophobicContact CG2-CD1 4.18Å; I358-I376 WeakPolarHBondContact O-CB 3.44Å; I358-I376 PolarHBondContact O-N 3.05Å; I358-K377 HydrophobicContact CD1-CB 4.44Å; I358-K377 PolarHBondContact N-O 3.08Å; I358-K377 PolarHBondContact O-N 3.26Å; I358-L379 HydrophobicContact CD1-CD1 4.04Å; I358-L379 HydrophobicContact CD1-CG 4.33Å; I358-I396 HydrophobicContact CD1-CD1 4.27Å; I358-F410 HydrophobicContact CD1-CZ 4.28Å
359	W	98.6	Very high	97.8	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.4	-177.1	-41.3	75.1	0	0	0	110.5	I316 L330 E331 H333 R346 I347 S349 K357 L361 L374 C375	I316-W359 HydrophobicContact CD1-CZ2 4.02Å; L330-W359 HydrophobicContact CB-CD2 4.49Å; L330-W359 HydrophobicContact CB-CE3 3.99Å; L330-W359 HydrophobicContact CB-CH2 4.18Å; L330-W359 HydrophobicContact CB-CZ3 3.82Å; L330-W359 HydrophobicContact CD1-CB 4.26Å; L330-W359 HydrophobicContact CD1-CD2 3.9Å; L330-W359 HydrophobicContact CD1-CE3 3.97Å; L330-W359 HydrophobicContact CD1-CG 4.03Å; L330-W359 HydrophobicContact CD2-CE3 4.5Å; L330-W359 HydrophobicContact CG-CE3 4.39Å; E331-W359 VanDerWaalsContact O-CH2 3.32Å; E331-W359 WeakPolarHBondContact O-CH2 3.49Å; E331-W359 WeakPolarHBondContact O-CZ3 3.42Å; H333-W359 AromaticContact CD2-CZ2 3.92Å; R346-W359 CarbonylContact C-O 3.58Å; R346-W359 WeakPolarHBondContact CA-O 3.47Å; I347-W359 HydrophobicContact CB-CB 4.11Å; I347-W359 HydrophobicContact CB-CG 4.37Å; I347-W359 PolarHBondContact N-O 3.39Å; I347-W359 PolarHBondContact O-N 3.15Å; S349-W359 PolarHBondContact OG-NE1 2.63Å; K357-W359 HydrophobicContact CB-CZ2 3.75Å; K357-W359 HydrophobicContact CD-CH2 3.93Å; K357-W359 HydrophobicContact CD-CZ2 3.49Å; K357-W359 VanDerWaalsContact CD-CZ2 3.49Å; K357-W359 HydrophobicContact CG-CZ2 4.26Å; K357-W359 PolarHBondContact O-NE1 3.5Å; W359-L361 PolarHBondContact O-N 3.35Å; W359-L374 CarbonylContact C-O 3.5Å; W359-L374 WeakPolarHBondContact CA-O 3.45Å; W359-L374 HydrophobicContact CE3-CB 4.43Å; W359-C375 HydrophobicContact CE3-CB 3.83Å; W359-C375 HydrophobicContact CH2-CB 4.48Å; W359-C375 HydrophobicContact CZ3-CB 3.8Å
360	D	97.5	Very high	97.7	Very high	42 Å²	42	41.7 Å²	41.7	23%	0.225	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	111.9	173.3	-170.5	-41.8	0	0	0	109.7	Q362 A363 A364 L374 I376	D360-Q362 PolarHBondContact OD1-N 3.05Å; D360-A363 HydrophobicContact CB-CB 3.85Å; D360-A363 PolarHBondContact OD1-N 3.22Å; D360-A364 VanDerWaalsContact O-CB 3.3Å; D360-A364 WeakPolarHBondContact O-CB 3.42Å; D360-A364 PolarHBondContact O-N 2.75Å; D360-L374 PolarHBondContact N-O 3.4Å; D360-I376 HydrophobicContact CB-CD1 3.87Å; D360-I376 HydrophobicContact CB-CG1 4.02Å
361	L	97.4	Very high	97.4	Very high	5 Å²	5	47 Å²	47	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-40.4	-177.4	176.2	61.7	0	0	0	111.6	L306 L318 F342 D343 K345 I347 W359 A364 L365	L306-L361 HydrophobicContact CD2-CD1 3.82Å; L318-L361 HydrophobicContact CD2-CD1 4.03Å; F342-L361 HydrophobicContact CD2-CD2 4.08Å; D343-L361 WeakPolarHBondContact O-CD2 3.3Å; K345-L361 WeakPolarHBondContact O-CB 3.26Å; K345-L361 PolarHBondContact O-N 3.03Å; I347-L361 HydrophobicContact CD1-CD1 3.88Å; I347-L361 HydrophobicContact CG1-CB 4.4Å; I347-L361 HydrophobicContact CG1-CD1 3.99Å; W359-L361 PolarHBondContact O-N 3.35Å; L361-A364 PolarHBondContact O-N 3.33Å; L361-L365 HydrophobicContact CD1-CD1 4.01Å; L361-L365 HydrophobicContact CD1-CG 4.11Å; L361-L365 HydrophobicContact CG-CD1 4.03Å; L361-L365 WeakPolarHBondContact O-CG 3.27Å; L361-L365 PolarHBondContact O-N 3.09Å
362	Q	96	Very high	97.1	Very high	114 Å²	114	50.8 Å²	50.8	53%	0.533	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-42.9	-176.8	-63.9	-60.4	-38.1	0	0	110.3	N344 D360 A364 L365 D366	N344-Q362 PolarHBondContact O-NE2 2.85Å; D360-Q362 PolarHBondContact OD1-N 3.05Å; Q362-A364 VanDerWaalsContact C-N 3.33Å; Q362-A364 PolarHBondContact O-N 3.32Å; Q362-L365 PolarHBondContact O-N 3.2Å; Q362-D366 PolarHBondContact O-N 3.12Å; Q362-D366 VanDerWaalsContact O-N 3.08Å
363	A	97	Very high	96.8	Very high	16 Å²	16	50.3 Å²	50.3	13%	0.132	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-39.2	173.1	0	0	0	0	0	111.8	D360 L365 D366 S369 L374	D360-A363 HydrophobicContact CB-CB 3.85Å; D360-A363 PolarHBondContact OD1-N 3.22Å; A363-L365 VanDerWaalsContact C-N 3.32Å; A363-L365 PolarHBondContact O-N 3.48Å; A363-D366 PolarHBondContact O-N 3.12Å; A363-D366 VanDerWaalsContact O-O 3.06Å; A363-S369 WeakPolarHBondContact CA-OG 3.01Å; A363-S369 WeakPolarHBondContact O-CB 3.41Å; A363-S369 PolarHBondContact O-OG 3.44Å; A363-L374 HydrophobicContact CB-CD2 3.77Å
364	A	97.8	Very high	96.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-33.1	178.3	0	0	0	0	0	113.2	L318 R328 L330 D360 L361 Q362 L374	L318-A364 HydrophobicContact CD2-CB 3.95Å; R328-A364 WeakPolarHBondContact CB-O 3.37Å; R328-A364 HydrophobicContact CG-CB 4.4Å; R328-A364 WeakPolarHBondContact CG-O 3.35Å; R328-A364 PolarHBondContact NE-O 3.3Å; L330-A364 HydrophobicContact CD2-CB 4.07Å; D360-A364 VanDerWaalsContact O-CB 3.3Å; D360-A364 WeakPolarHBondContact O-CB 3.42Å; D360-A364 PolarHBondContact O-N 2.75Å; L361-A364 PolarHBondContact O-N 3.33Å; Q362-A364 VanDerWaalsContact C-N 3.33Å; Q362-A364 PolarHBondContact O-N 3.32Å; A364-L374 HydrophobicContact CB-CD2 4.4Å
365	L	97.2	Very high	96.7	Very high	65 Å²	65	50.3 Å²	50.3	34%	0.34	29%	0.293	S	S	.	.	H	α-helix	trans	-78.5	-23.2	175.7	-69.7	173.3	0	0	0	112.9	L306 L318 L327 L361 Q362 A363 P367	L306-L365 HydrophobicContact CD1-CD2 4.02Å; L318-L365 HydrophobicContact CD2-CD2 3.84Å; L318-L365 HydrophobicContact CD2-CG 4.25Å; L327-L365 HydrophobicContact CD1-CD2 4.04Å; L361-L365 HydrophobicContact CD1-CD1 4.01Å; L361-L365 HydrophobicContact CD1-CG 4.11Å; L361-L365 HydrophobicContact CG-CD1 4.03Å; L361-L365 WeakPolarHBondContact O-CG 3.27Å; L361-L365 PolarHBondContact O-N 3.09Å; Q362-L365 PolarHBondContact O-N 3.2Å; A363-L365 VanDerWaalsContact C-N 3.32Å; A363-L365 PolarHBondContact O-N 3.48Å; L365-P367 VanDerWaalsContact O-CD 3.28Å; L365-P367 WeakPolarHBondContact O-CD 3.45Å
366	D	97.1	Very high	96.6	Very high	45 Å²	45	50.5 Å²	50.5	24%	0.241	30%	0.295	C	S	.	.			trans	-81.6	112.7	172.7	-172.1	-13.9	0	0	0	111.2	Q362 A363 R368 S369	Q362-D366 PolarHBondContact O-N 3.12Å; Q362-D366 VanDerWaalsContact O-N 3.08Å; A363-D366 PolarHBondContact O-N 3.12Å; A363-D366 VanDerWaalsContact O-O 3.06Å; D366-R368 PolarHBondContact O-N 3.39Å; D366-R368 VanDerWaalsContact OD1-CB 3.31Å; D366-R368 WeakPolarHBondContact OD1-CB 3.44Å; D366-R368 IonicContact OD1-CZ 2.86Å; D366-R368 PolarHBondContact OD1-N 3.14Å; D366-R368 IonicContact OD1-NE 2.73Å; D366-R368 PolarHBondContact OD1-NE 2.89Å; D366-R368 IonicContact OD1-NH2 3.87Å; D366-R368 PolarHBondContact OD1-NH2 3.12Å; D366-R368 IonicContact OD2-CZ 2.7Å; D366-R368 IonicContact OD2-NE 3.79Å; D366-R368 PolarHBondContact OD2-NE 3.42Å; D366-R368 IonicContact OD2-NH2 3.99Å; D366-R368 PolarHBondContact OD2-NH2 2.8Å; D366-S369 PolarHBondContact O-N 3.22Å; D366-S369 VanDerWaalsContact O-N 3.09Å; D366-S369 PolarHBondContact O-OG 3.25Å
367	P	95.1	Very high	96.6	Very high	97 Å²	97	54.3 Å²	54.3	63%	0.63	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.2	178.2	28.5	-35.5	0	0	0	116.2	L365	L365-P367 VanDerWaalsContact O-CD 3.28Å; L365-P367 WeakPolarHBondContact O-CD 3.45Å
368	R	96.7	Very high	96.5	Very high	208 Å²	208	55.7 Å²	55.7	79%	0.785	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-15	177	-58.9	165.7	-65.1	-175.7	6	112.8	D366	D366-R368 PolarHBondContact O-N 3.39Å; D366-R368 VanDerWaalsContact OD1-CB 3.31Å; D366-R368 WeakPolarHBondContact OD1-CB 3.44Å; D366-R368 IonicContact OD1-CZ 2.86Å; D366-R368 PolarHBondContact OD1-N 3.14Å; D366-R368 IonicContact OD1-NE 2.73Å; D366-R368 PolarHBondContact OD1-NE 2.89Å; D366-R368 IonicContact OD1-NH2 3.87Å; D366-R368 PolarHBondContact OD1-NH2 3.12Å; D366-R368 IonicContact OD2-CZ 2.7Å; D366-R368 IonicContact OD2-NE 3.79Å; D366-R368 PolarHBondContact OD2-NE 3.42Å; D366-R368 IonicContact OD2-NH2 3.99Å; D366-R368 PolarHBondContact OD2-NH2 2.8Å
369	S	96.7	Very high	96.5	Very high	22 Å²	22	56.1 Å²	56.1	15%	0.154	32%	0.324	C	S	.	.	S	Bend	trans	-71.6	131	179.5	-58.3	0	0	0	0	111.1	A363 D366	A363-S369 WeakPolarHBondContact CA-OG 3.01Å; A363-S369 WeakPolarHBondContact O-CB 3.41Å; A363-S369 PolarHBondContact O-OG 3.44Å; D366-S369 PolarHBondContact O-N 3.22Å; D366-S369 VanDerWaalsContact O-N 3.09Å; D366-S369 PolarHBondContact O-OG 3.25Å
370	P	96.4	Very high	96.5	Very high	80 Å²	80	60.1 Å²	60.1	52%	0.519	35%	0.349	S	S	.	.			trans	-69.6	146.1	177.5	28.3	-33.4	0	0	0	111.2	G372 S373	P370-G372 PolarHBondContact O-N 2.9Å; P370-G372 VanDerWaalsContact O-N 3.13Å; P370-S373 PolarHBondContact O-N 2.88Å; P370-S373 VanDerWaalsContact O-N 3.08Å; P370-S373 PolarHBondContact O-OG 2.8Å
371	P	93.5	Very high	96.5	Very high	111 Å²	111	62.2 Å²	62.2	72%	0.721	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-54.6	-35.8	-179.8	-28.1	35.2	0	0	0	114.3	S373 L374	P371-S373 PolarHBondContact O-N 3.24Å; P371-L374 WeakPolarHBondContact O-CG 3.45Å; P371-L374 PolarHBondContact O-N 3.02Å
372	G	92.7	Very high	96.6	Very high	80 Å²	80	62.4 Å²	62.4	83%	0.825	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.7	-179.2	0	0	0	0	0	115.1	P370	P370-G372 PolarHBondContact O-N 2.9Å; P370-G372 VanDerWaalsContact O-N 3.13Å
373	S	92.5	Very high	96.6	Very high	61 Å²	61	62.8 Å²	62.8	43%	0.427	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-93	-2.7	178	69.3	0	0	0	0	113.7	P370 P371	P370-S373 PolarHBondContact O-N 2.88Å; P370-S373 VanDerWaalsContact O-N 3.08Å; P370-S373 PolarHBondContact O-OG 2.8Å; P371-S373 PolarHBondContact O-N 3.24Å
374	L	97	Very high	96.7	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.021	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-39	-171.6	-57.3	-176	0	0	0	112.7	R328 L330 W359 D360 A363 A364 P371 I376	R328-L374 HydrophobicContact CG-CD1 4.28Å; L330-L374 HydrophobicContact CD2-CB 4.32Å; L330-L374 HydrophobicContact CD2-CD1 3.47Å; L330-L374 VanDerWaalsContact CD2-CD1 3.47Å; L330-L374 HydrophobicContact CD2-CG 4.49Å; W359-L374 CarbonylContact C-O 3.5Å; W359-L374 WeakPolarHBondContact CA-O 3.45Å; W359-L374 HydrophobicContact CE3-CB 4.43Å; D360-L374 PolarHBondContact N-O 3.4Å; A363-L374 HydrophobicContact CB-CD2 3.77Å; A364-L374 HydrophobicContact CB-CD2 4.4Å; P371-L374 WeakPolarHBondContact O-CG 3.45Å; P371-L374 PolarHBondContact O-N 3.02Å; L374-I376 PolarHBondContact O-N 2.79Å
375	C	97.5	Very high	96.7	Very high	43 Å²	43	68.1 Å²	68.1	29%	0.291	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	108.8	176.2	179.7	0	0	0	0	109.6	W359	W359-C375 HydrophobicContact CE3-CB 3.83Å; W359-C375 HydrophobicContact CH2-CB 4.48Å; W359-C375 HydrophobicContact CZ3-CB 3.8Å
376	I	96.5	Very high	96.8	Very high	45 Å²	45	65 Å²	65	23%	0.231	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-51.2	178.2	-63.2	172.5	0	0	0	110.1	R115 I358 D360 L374	R115-I376 HydrophobicContact CB-CG2 4.3Å; R115-I376 HydrophobicContact CG-CG2 4.2Å; I358-I376 HydrophobicContact CB-CB 4.42Å; I358-I376 HydrophobicContact CG2-CB 4.36Å; I358-I376 HydrophobicContact CG2-CD1 4.18Å; I358-I376 WeakPolarHBondContact O-CB 3.44Å; I358-I376 PolarHBondContact O-N 3.05Å; D360-I376 HydrophobicContact CB-CD1 3.87Å; D360-I376 HydrophobicContact CB-CG1 4.02Å; L374-I376 PolarHBondContact O-N 2.79Å
377	K	97.5	Very high	96.8	Very high	80 Å²	80	63.2 Å²	63.2	35%	0.348	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	147.2	-174.8	-163.2	71.5	-173.5	-165.6	0	111.5	L116 K357 I358 L379	L116-K377 VanDerWaalsContact O-CE 3.28Å; L116-K377 WeakPolarHBondContact O-CE 3.34Å; L116-K377 PolarHBondContact O-NZ 2.88Å; K357-K377 WeakPolarHBondContact CA-O 3.32Å; I358-K377 HydrophobicContact CD1-CB 4.44Å; I358-K377 PolarHBondContact N-O 3.08Å; I358-K377 PolarHBondContact O-N 3.26Å; K377-L379 HydrophobicContact CG-CD2 3.92Å
378	T	98.3	Very high	97	Very high	48 Å²	48	60.7 Å²	60.7	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.2	164.7	-56	0	0	0	0	108.4	K355 I356 K357 V380	K355-T378 HydrophobicContact CB-CG2 4.02Å; K355-T378 HydrophobicContact CD-CG2 3.99Å; K355-T378 HydrophobicContact CG-CG2 4.33Å; I356-T378 CarbonylContact O-C 3.48Å; I356-T378 WeakPolarHBondContact O-CA 3.25Å; K357-T378 HydrophobicContact CG-CG2 4.09Å; K357-T378 PolarHBondContact NZ-OG1 3.13Å; T378-V380 HydrophobicContact CG2-CG2 4.09Å
379	L	98.4	Very high	97.1	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.9	177.2	-51.4	178.1	0	0	0	109.2	I356 I358 K377 I396 W408 F410	I356-L379 HydrophobicContact CB-CB 4.29Å; I356-L379 HydrophobicContact CG2-CD1 4.42Å; I356-L379 PolarHBondContact N-O 3.12Å; I356-L379 PolarHBondContact O-N 3.34Å; I358-L379 HydrophobicContact CD1-CD1 4.04Å; I358-L379 HydrophobicContact CD1-CG 4.33Å; K377-L379 HydrophobicContact CG-CD2 3.92Å; L379-I396 HydrophobicContact CD1-CD1 3.92Å; L379-W408 HydrophobicContact CB-CE3 4.3Å; L379-W408 HydrophobicContact CB-CH2 3.72Å; L379-W408 HydrophobicContact CB-CZ3 3.65Å; L379-W408 HydrophobicContact CD1-CD2 4.09Å; L379-W408 HydrophobicContact CD1-CE3 3.75Å; L379-W408 HydrophobicContact CD1-CH2 4.45Å; L379-W408 HydrophobicContact CD1-CZ3 3.97Å; L379-W408 HydrophobicContact CG-CE3 4.5Å; L379-W408 HydrophobicContact CG-CZ3 4.28Å; L379-F410 HydrophobicContact CD1-CZ 4.16Å
380	V	97.9	Very high	97.2	Very high	89 Å²	89	52.2 Å²	52.2	54%	0.539	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	96.3	-172	-170.2	0	0	0	0	109.5	K355 T378	K355-V380 HydrophobicContact CD-CG2 4.46Å; K355-V380 HydrophobicContact CG-CG2 4.07Å; T378-V380 HydrophobicContact CG2-CG2 4.09Å
381	E	98.1	Very high	97.3	Very high	86 Å²	86	49.5 Å²	49.5	40%	0.402	29%	0.288	S	S	.	.			trans	-141.7	-26.6	177.4	-66.4	-68.3	161.9	0	0	113	L121 L406 W408	L121-E381 HydrophobicContact CD1-CG 4.41Å; L121-E381 HydrophobicContact CD2-CB 4.08Å; L121-E381 HydrophobicContact CD2-CG 3.73Å; E381-L406 HydrophobicContact CB-CD1 3.63Å; E381-W408 HydrophobicContact CB-CH2 3.34Å; E381-W408 HydrophobicContact CB-CZ2 3.88Å; E381-W408 HydrophobicContact CB-CZ3 4.05Å; E381-W408 HydrophobicContact CG-CH2 3.24Å; E381-W408 HydrophobicContact CG-CZ2 4.2Å; E381-W408 HydrophobicContact CG-CZ3 3.42Å; E381-W408 VanDerWaalsContact CG-CZ3 3.42Å
382	H	98.2	Very high	97.4	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.042	26%	0.264	C	S	.	.			trans	-71.1	140.3	171	-82.4	-57.5	0	0	0	110.3	V386 S398 S400 D402 L406	H382-V386 HydrophobicContact CB-CG2 4.32Å; H382-S398 PolarHBondContact CD2-OG 2.58Å; H382-S398 PolarHBondContact NE2-OG 2.84Å; H382-S400 WeakPolarHBondContact CE1-CB 3.42Å; H382-S400 WeakPolarHBondContact ND1-CB 3.1Å; H382-D402 WeakPolarHBondContact CA-OD2 3.44Å; H382-D402 WeakPolarHBondContact CB-OD2 3.09Å; H382-D402 IonicContact CG-OD2 2.74Å; H382-D402 IonicContact ND1-OD1 3.26Å; H382-D402 PolarHBondContact ND1-OD1 3.16Å; H382-D402 IonicContact ND1-OD2 3.41Å; H382-D402 PolarHBondContact ND1-OD2 2.86Å; H382-L406 VanDerWaalsContact CE1-CG 3.48Å; H382-L406 WeakPolarHBondContact CE1-CG 3.15Å
383	T	97.5	Very high	97.4	Very high	121 Å²	121	43.5 Å²	43.5	74%	0.742	23%	0.23	S	C	*	.	S	Bend	trans	-101.4	13.4	178.9	63.4	0	0	0	0	111.9	D402	T383-D402 PolarHBondContact N-OD2 2.98Å; T383-D402 WeakPolarHBondContact OG1-CB 3.06Å
384	G	97.5	Very high	97.5	Very high	13 Å²	13	41.1 Å²	41.1	13%	0.134	21%	0.212	C	C	.	.	S	Bend	trans	-157.8	178.1	-177.2	0	0	0	0	0	111.5	G354 V386 S400	G354-G384 WeakPolarHBondContact CA-O 3.5Å; G384-V386 PolarHBondContact O-N 2.83Å; G384-S400 VanDerWaalsContact C-OG 3.29Å; G384-S400 PolarHBondContact O-OG 2.95Å; G384-S400 VanDerWaalsContact O-OG 3.14Å
385	R	98.6	Very high	97.4	Very high	115 Å²	115	41.6 Å²	41.6	43%	0.434	21%	0.214	S	C	.	.			trans	-56	125.5	-176.6	-58.1	170.5	-174.6	164.4	3	111.3	Y352 F387 S400 H401	Y352-R385 HydrophobicContact CD1-CB 3.7Å; Y352-R385 HydrophobicContact CD1-CG 3.72Å; Y352-R385 HydrophobicContact CD2-CG 4.3Å; Y352-R385 HydrophobicContact CE1-CB 4.09Å; Y352-R385 HydrophobicContact CE1-CG 4.19Å; Y352-R385 HydrophobicContact CG-CB 4.24Å; Y352-R385 HydrophobicContact CG-CG 3.75Å; Y352-R385 WeakPolarHBondContact O-CG 3.3Å; R385-F387 HydrophobicContact CB-CD1 4.34Å; R385-F387 HydrophobicContact CB-CE1 3.92Å; R385-F387 HydrophobicContact CB-CZ 4.41Å; R385-F387 PolarHBondContact O-N 3.21Å; R385-S400 CarbonylContact O-C 3.57Å; R385-S400 VanDerWaalsContact O-CA 3.24Å; R385-S400 WeakPolarHBondContact O-CA 3.44Å; R385-S400 PolarHBondContact O-OG 3.18Å; R385-H401 HydrophobicContact CB-CB 4.13Å; R385-H401 PolarHBondContact O-N 2.94Å
386	V	98.8	Very high	97.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.9	175	-169.6	0	0	0	0	109.2	R338 A351 I356 H382 G384 S399	R338-V386 WeakPolarHBondContact CB-O 3.26Å; R338-V386 VanDerWaalsContact CG-O 3.24Å; R338-V386 WeakPolarHBondContact CG-O 3.47Å; A351-V386 PolarHBondContact O-N 2.81Å; A351-V386 VanDerWaalsContact O-N 3.07Å; I356-V386 HydrophobicContact CD1-CG1 4.34Å; I356-V386 HydrophobicContact CG1-CG1 4.29Å; I356-V386 HydrophobicContact CG1-CG2 4.13Å; H382-V386 HydrophobicContact CB-CG2 4.32Å; G384-V386 PolarHBondContact O-N 2.83Å; V386-S399 CarbonylContact C-O 3.57Å
387	F	98.7	Very high	97.6	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-38.5	-174.4	-71.5	-38.7	0	0	0	113.5	V134 Y135 R338 C339 Y352 R385 S399 H401	V134-F387 WeakPolarHBondContact O-CB 3.18Å; V134-F387 WeakPolarHBondContact O-CD2 3.42Å; Y135-F387 HydrophobicContact CD1-CD1 4.35Å; Y135-F387 AromaticContact CD1-CD2 3.83Å; Y135-F387 HydrophobicContact CD1-CD2 3.83Å; Y135-F387 HydrophobicContact CD1-CE1 4.48Å; Y135-F387 AromaticContact CD1-CE2 3.92Å; Y135-F387 HydrophobicContact CD1-CE2 3.92Å; Y135-F387 HydrophobicContact CD1-CG 4.04Å; Y135-F387 HydrophobicContact CD1-CZ 4.26Å; Y135-F387 HydrophobicContact CE1-CD2 4.18Å; Y135-F387 HydrophobicContact CE1-CE1 4.21Å; Y135-F387 AromaticContact CE1-CE2 3.79Å; Y135-F387 HydrophobicContact CE1-CE2 3.79Å; Y135-F387 AromaticContact CE1-CZ 3.81Å; Y135-F387 HydrophobicContact CE1-CZ 3.81Å; R338-F387 HydrophobicContact CG-CD1 4.22Å; C339-F387 WeakPolarHBondContact CB-O 3.47Å; Y352-F387 HydrophobicContact CE1-CE1 4.49Å; R385-F387 HydrophobicContact CB-CD1 4.34Å; R385-F387 HydrophobicContact CB-CE1 3.92Å; R385-F387 HydrophobicContact CB-CZ 4.41Å; R385-F387 PolarHBondContact O-N 3.21Å; F387-S399 PolarHBondContact N-O 2.83Å; F387-H401 HydrophobicContact CD2-CB 4.33Å; F387-H401 HydrophobicContact CE1-CB 4.49Å; F387-H401 VanDerWaalsContact CE2-CA 3.43Å; F387-H401 HydrophobicContact CE2-CB 3.54Å; F387-H401 HydrophobicContact CZ-CB 3.63Å; F387-H401 AromaticContact CZ-CD2 3.86Å
388	R	98.8	Very high	97.7	Very high	44 Å²	44	33.6 Å²	33.6	17%	0.166	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148	179.3	-160.7	71.6	176.8	175.5	2.4	111	L137 H216 S398 S399	L137-R388 HydrophobicContact CG-CB 4.36Å; L137-R388 HydrophobicContact CG-CG 4.31Å; H216-R388 PolarHBondContact NE2-NH1 3.46Å; R388-S398 CarbonylContact O-C 3.53Å; R388-S398 WeakPolarHBondContact O-CA 3.28Å; R388-S399 WeakPolarHBondContact CB-OG 3.15Å; R388-S399 PolarHBondContact N-O 2.75Å; R388-S399 PolarHBondContact N-OG 2.91Å; R388-S399 PolarHBondContact O-N 3.49Å; R388-S399 PolarHBondContact O-OG 2.73Å; R388-S399 VanDerWaalsContact O-OG 3.1Å
389	L	98.8	Very high	97.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.8	166.3	63.8	87.1	0	0	0	110.3	R341 V348 I356 F391 I396 V397	R341-L389 HydrophobicContact CB-CD1 3.96Å; R341-L389 HydrophobicContact CG-CD1 3.88Å; R341-L389 WeakPolarHBondContact CG-O 3.45Å; V348-L389 HydrophobicContact CB-CD1 3.98Å; V348-L389 HydrophobicContact CG1-CD1 3.85Å; V348-L389 HydrophobicContact CG1-CD2 3.84Å; I356-L389 HydrophobicContact CG2-CD2 4.42Å; L389-F391 HydrophobicContact CD1-CD1 4.4Å; L389-I396 HydrophobicContact CB-CG2 4.32Å; L389-V397 CarbonylContact C-O 3.6Å; L389-V397 VanDerWaalsContact CA-O 3.23Å; L389-V397 WeakPolarHBondContact CA-O 3.33Å
390	Q	98.8	Very high	97.7	Very high	51 Å²	51	30.9 Å²	30.9	24%	0.238	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150.5	163.9	-178.6	-176	-5.5	0	0	106.6	L137 Q138 Y139 V397	L137-Q390 HydrophobicContact CD1-CB 4.01Å; Q138-Q390 VanDerWaalsContact CA-OE1 3.25Å; Y139-Q390 HydrophobicContact CD1-CB 3.85Å; Y139-Q390 HydrophobicContact CD1-CG 3.87Å; Y139-Q390 VanDerWaalsContact CD1-OE1 3.32Å; Y139-Q390 HydrophobicContact CE1-CB 3.63Å; Y139-Q390 HydrophobicContact CE1-CG 3.47Å; Y139-Q390 VanDerWaalsContact CE1-CG 3.47Å; Y139-Q390 PolarHBondContact O-NE2 3.04Å; Q390-V397 PolarHBondContact N-O 2.83Å; Q390-V397 PolarHBondContact O-N 3.49Å
391	F	98.5	Very high	97.7	Very high	23 Å²	23	29.9 Å²	29.9	10%	0.101	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	160.4	176.8	79.7	-83.5	0	0	0	110.6	W114 R341 D343 V348 L389 Q395 I396	W114-F391 HydrophobicContact CH2-CD2 4.04Å; R341-F391 HydrophobicContact CB-CD1 3.84Å; R341-F391 HydrophobicContact CB-CE1 3.7Å; D343-F391 HydrophobicContact CB-CE2 4.03Å; D343-F391 HydrophobicContact CB-CZ 3.89Å; D343-F391 WeakPolarHBondContact OD2-CE2 3.19Å; V348-F391 HydrophobicContact CB-CD1 3.86Å; V348-F391 HydrophobicContact CB-CE1 3.98Å; V348-F391 HydrophobicContact CB-CG 4.42Å; V348-F391 HydrophobicContact CG2-CD1 3.68Å; V348-F391 HydrophobicContact CG2-CD2 4.05Å; V348-F391 HydrophobicContact CG2-CE1 3.7Å; V348-F391 HydrophobicContact CG2-CE2 4.08Å; V348-F391 HydrophobicContact CG2-CG 3.85Å; V348-F391 HydrophobicContact CG2-CZ 3.91Å; L389-F391 HydrophobicContact CD1-CD1 4.4Å; F391-Q395 VanDerWaalsContact CA-O 3.23Å; F391-Q395 WeakPolarHBondContact CA-O 3.2Å; F391-Q395 VanDerWaalsContact CB-O 3.25Å; F391-Q395 WeakPolarHBondContact CB-O 3.44Å; F391-I396 HydrophobicContact CB-CB 4.25Å; F391-I396 HydrophobicContact CB-CG1 3.83Å; F391-I396 HydrophobicContact CB-CG2 4.45Å
392	D	95.4	Very high	97.6	Very high	41 Å²	41	27 Å²	27	22%	0.219	13%	0.134	C	C	.	.			trans	-132.4	-170.1	171.1	61.6	46	0	0	0	109.3	W114 Y139 F394 Q395	W114-D392 WeakPolarHBondContact CZ2-O 3.45Å; Y139-D392 WeakPolarHBondContact CE2-OD2 3.35Å; Y139-D392 PolarHBondContact OH-N 2.9Å; Y139-D392 PolarHBondContact OH-OD2 3.48Å; D392-F394 PolarHBondContact O-N 2.75Å; D392-F394 VanDerWaalsContact O-N 3.12Å; D392-F394 WeakPolarHBondContact OD1-CA 3.43Å; D392-F394 WeakPolarHBondContact OD1-CB 3.28Å; D392-F394 PolarHBondContact OD1-N 2.99Å; D392-Q395 PolarHBondContact N-O 2.94Å; D392-Q395 PolarHBondContact OD1-N 3.05Å; D392-Q395 PolarHBondContact OD2-NE2 3.35Å
393	D	92	Very high	97.5	Very high	24 Å²	24	26.9 Å²	26.9	13%	0.128	13%	0.133	C	C	.	.	S	Bend	trans	-59.1	-21.7	-179.9	-84.1	-58.9	0	0	0	114.7	L50 W114 K345	L50-D393 HydrophobicContact CD1-CB 3.64Å; W114-D393 PolarHBondContact NE1-O 2.99Å; K345-D393 IonicContact NZ-OD1 3.49Å; K345-D393 PolarHBondContact NZ-OD1 3.35Å
394	F	94.1	Very high	97.6	Very high	10 Å²	10	21.2 Å²	21.2	4%	0.044	10%	0.099	C	C	.	.	S	Bend	trans	-112.3	-27	-169.4	-49.3	-70.8	0	0	0	113.5	L50 L54 K57 I110 D392 F410 L411	L50-F394 HydrophobicContact CD1-CD1 4.43Å; L50-F394 HydrophobicContact CD1-CE1 3.56Å; L50-F394 HydrophobicContact CD1-CZ 3.78Å; L54-F394 HydrophobicContact CB-CE1 4.24Å; L54-F394 HydrophobicContact CB-CZ 4.23Å; L54-F394 HydrophobicContact CD1-CE1 4.13Å; K57-F394 HydrophobicContact CD-CB 4.48Å; K57-F394 HydrophobicContact CD-CD2 3.86Å; K57-F394 HydrophobicContact CD-CE2 4.22Å; K57-F394 HydrophobicContact CD-CG 4.01Å; I110-F394 HydrophobicContact CD1-CD1 4.34Å; I110-F394 HydrophobicContact CD1-CE1 4.27Å; D392-F394 PolarHBondContact O-N 2.75Å; D392-F394 VanDerWaalsContact O-N 3.12Å; D392-F394 WeakPolarHBondContact OD1-CA 3.43Å; D392-F394 WeakPolarHBondContact OD1-CB 3.28Å; D392-F394 PolarHBondContact OD1-N 2.99Å; F394-F410 WeakPolarHBondContact O-CB 3.49Å; F394-F410 PolarHBondContact O-N 2.95Å; F394-L411 HydrophobicContact CB-CB 4.18Å; F394-L411 HydrophobicContact CD1-CB 4.21Å; F394-L411 HydrophobicContact CD1-CD1 4.14Å; F394-L411 HydrophobicContact CD1-CD2 3.99Å; F394-L411 HydrophobicContact CD1-CG 4.36Å; F394-L411 HydrophobicContact CG-CD2 4.39Å
395	Q	96.2	Very high	97.6	Very high	14 Å²	14	20.6 Å²	20.6	7%	0.065	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159.9	-170.7	70.4	-159.8	-40.3	0	0	114.5	Y139 F391 D392 W408	Y139-Q395 HydrophobicContact CE2-CG 4.42Å; F391-Q395 VanDerWaalsContact CA-O 3.23Å; F391-Q395 WeakPolarHBondContact CA-O 3.2Å; F391-Q395 VanDerWaalsContact CB-O 3.25Å; F391-Q395 WeakPolarHBondContact CB-O 3.44Å; D392-Q395 PolarHBondContact N-O 2.94Å; D392-Q395 PolarHBondContact OD1-N 3.05Å; D392-Q395 PolarHBondContact OD2-NE2 3.35Å; Q395-W408 CarbonylContact C-O 3.52Å; Q395-W408 WeakPolarHBondContact CA-O 3.33Å; Q395-W408 VanDerWaalsContact CB-O 3.3Å; Q395-W408 WeakPolarHBondContact CB-O 3.44Å
396	I	98.6	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.1	162.1	-56.3	163.4	0	0	0	107.7	W114 V348 I358 L379 L389 F391 I407 W408 F410	W114-I396 HydrophobicContact CH2-CD1 4.06Å; W114-I396 HydrophobicContact CH2-CG1 3.61Å; W114-I396 HydrophobicContact CZ3-CD1 3.81Å; W114-I396 HydrophobicContact CZ3-CG1 3.91Å; V348-I396 HydrophobicContact CG1-CD1 3.86Å; V348-I396 HydrophobicContact CG1-CG1 4.33Å; V348-I396 HydrophobicContact CG1-CG2 4.45Å; V348-I396 HydrophobicContact CG2-CD1 4.45Å; I358-I396 HydrophobicContact CD1-CD1 4.27Å; L379-I396 HydrophobicContact CD1-CD1 3.92Å; L389-I396 HydrophobicContact CB-CG2 4.32Å; F391-I396 HydrophobicContact CB-CB 4.25Å; F391-I396 HydrophobicContact CB-CG1 3.83Å; F391-I396 HydrophobicContact CB-CG2 4.45Å; I396-I407 CarbonylContact O-C 3.57Å; I396-I407 WeakPolarHBondContact O-CA 3.34Å; I396-W408 HydrophobicContact CB-CB 4Å; I396-W408 HydrophobicContact CB-CG 4.06Å; I396-W408 PolarHBondContact N-O 2.84Å; I396-W408 VanDerWaalsContact O-CD1 3.31Å; I396-W408 PolarHBondContact O-N 2.91Å; I396-F410 HydrophobicContact CD1-CE2 3.92Å; I396-F410 HydrophobicContact CD1-CZ 4.21Å; I396-F410 HydrophobicContact CG1-CE2 4.06Å
397	V	98.8	Very high	97.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.8	165.8	-174.2	0	0	0	0	107.7	L137 Y139 I144 L389 Q390 I405 L406 I407	L137-V397 HydrophobicContact CD1-CB 4.37Å; L137-V397 HydrophobicContact CD1-CG1 4.17Å; L137-V397 HydrophobicContact CD2-CG1 4.03Å; Y139-V397 HydrophobicContact CD1-CB 3.67Å; Y139-V397 HydrophobicContact CD1-CG1 4.39Å; Y139-V397 HydrophobicContact CD1-CG2 3.53Å; Y139-V397 HydrophobicContact CD2-CG2 4.34Å; Y139-V397 HydrophobicContact CE1-CB 3.84Å; Y139-V397 HydrophobicContact CE1-CG2 3.55Å; Y139-V397 HydrophobicContact CE2-CG2 4.39Å; Y139-V397 HydrophobicContact CG-CB 4.43Å; Y139-V397 HydrophobicContact CG-CG2 3.95Å; I144-V397 HydrophobicContact CD1-CG1 4.14Å; L389-V397 CarbonylContact C-O 3.6Å; L389-V397 VanDerWaalsContact CA-O 3.23Å; L389-V397 WeakPolarHBondContact CA-O 3.33Å; Q390-V397 PolarHBondContact N-O 2.83Å; Q390-V397 PolarHBondContact O-N 3.49Å; V397-I405 HydrophobicContact CG1-CG2 3.6Å; V397-L406 CarbonylContact C-O 3.56Å; V397-L406 VanDerWaalsContact CA-O 3.32Å; V397-L406 WeakPolarHBondContact CA-O 3.28Å; V397-I407 HydrophobicContact CG1-CG1 4.35Å; V397-I407 HydrophobicContact CG2-CG1 4.24Å
398	S	98.8	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.8	-176.3	62.1	0	0	0	0	112.1	H382 R388 I405 L406 W408	H382-S398 PolarHBondContact CD2-OG 2.58Å; H382-S398 PolarHBondContact NE2-OG 2.84Å; R388-S398 CarbonylContact O-C 3.53Å; R388-S398 WeakPolarHBondContact O-CA 3.28Å; S398-I405 CarbonylContact O-C 3.6Å; S398-I405 WeakPolarHBondContact O-CA 3.36Å; S398-L406 PolarHBondContact N-O 2.88Å; S398-L406 PolarHBondContact O-N 3.4Å; S398-W408 PolarHBondContact OG-NE1 3.49Å
399	S	98.7	Very high	97.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.6	175.5	45	0	0	0	0	111.1	V134 L137 V386 F387 R388 T404	V134-S399 VanDerWaalsContact CG1-CB 3.5Å; V134-S399 WeakPolarHBondContact O-CB 3.5Å; V134-S399 PolarHBondContact O-OG 3.27Å; L137-S399 WeakPolarHBondContact CD2-OG 3.45Å; V386-S399 CarbonylContact C-O 3.57Å; F387-S399 PolarHBondContact N-O 2.83Å; R388-S399 WeakPolarHBondContact CB-OG 3.15Å; R388-S399 PolarHBondContact N-O 2.75Å; R388-S399 PolarHBondContact N-OG 2.91Å; R388-S399 PolarHBondContact O-N 3.49Å; R388-S399 PolarHBondContact O-OG 2.73Å; R388-S399 VanDerWaalsContact O-OG 3.1Å; S399-T404 WeakPolarHBondContact CA-O 3.38Å
400	S	98.6	Very high	97.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	165	-172.7	169.6	0	0	0	0	113	V134 H382 G384 R385 D402 D403 T404	V134-S400 PolarHBondContact N-O 3.29Å; V134-S400 VanDerWaalsContact N-O 3.1Å; H382-S400 WeakPolarHBondContact CE1-CB 3.42Å; H382-S400 WeakPolarHBondContact ND1-CB 3.1Å; G384-S400 VanDerWaalsContact C-OG 3.29Å; G384-S400 PolarHBondContact O-OG 2.95Å; G384-S400 VanDerWaalsContact O-OG 3.14Å; R385-S400 CarbonylContact O-C 3.57Å; R385-S400 VanDerWaalsContact O-CA 3.24Å; R385-S400 WeakPolarHBondContact O-CA 3.44Å; R385-S400 PolarHBondContact O-OG 3.18Å; S400-D402 VanDerWaalsContact CB-OD1 3.25Å; S400-D402 WeakPolarHBondContact CB-OD1 3.48Å; S400-D402 PolarHBondContact O-N 3.18Å; S400-D402 PolarHBondContact OG-N 3.24Å; S400-D402 VanDerWaalsContact OG-N 3.11Å; S400-D402 PolarHBondContact OG-OD1 3.02Å; S400-D402 PolarHBondContact OG-OD2 3.17Å; S400-D403 PolarHBondContact O-N 3.09Å; S400-T404 PolarHBondContact N-O 3.49Å
401	H	97.7	Very high	96.8	Very high	67 Å²	67	11.2 Å²	11.2	31%	0.31	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.1	165.7	-178.5	-99.4	0	0	0	113.3	R385 F387 D403	R385-H401 HydrophobicContact CB-CB 4.13Å; R385-H401 PolarHBondContact O-N 2.94Å; F387-H401 HydrophobicContact CD2-CB 4.33Å; F387-H401 HydrophobicContact CE1-CB 4.49Å; F387-H401 VanDerWaalsContact CE2-CA 3.43Å; F387-H401 HydrophobicContact CE2-CB 3.54Å; F387-H401 HydrophobicContact CZ-CB 3.63Å; F387-H401 AromaticContact CZ-CD2 3.86Å; H401-D403 PolarHBondContact O-N 3.2Å
402	D	96.7	Very high	96.2	Very high	27 Å²	27	13.8 Å²	13.8	14%	0.144	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	8.1	177.9	66.5	21.7	0	0	0	114.8	H382 T383 S400 T404	H382-D402 WeakPolarHBondContact CA-OD2 3.44Å; H382-D402 WeakPolarHBondContact CB-OD2 3.09Å; H382-D402 IonicContact CG-OD2 2.74Å; H382-D402 IonicContact ND1-OD1 3.26Å; H382-D402 PolarHBondContact ND1-OD1 3.16Å; H382-D402 IonicContact ND1-OD2 3.41Å; H382-D402 PolarHBondContact ND1-OD2 2.86Å; T383-D402 PolarHBondContact N-OD2 2.98Å; T383-D402 WeakPolarHBondContact OG1-CB 3.06Å; S400-D402 VanDerWaalsContact CB-OD1 3.25Å; S400-D402 WeakPolarHBondContact CB-OD1 3.48Å; S400-D402 PolarHBondContact O-N 3.18Å; S400-D402 PolarHBondContact OG-N 3.24Å; S400-D402 VanDerWaalsContact OG-N 3.11Å; S400-D402 PolarHBondContact OG-OD1 3.02Å; S400-D402 PolarHBondContact OG-OD2 3.17Å; D402-T404 VanDerWaalsContact C-N 3.31Å; D402-T404 WeakPolarHBondContact OD1-CB 3.16Å; D402-T404 PolarHBondContact OD1-N 2.6Å; D402-T404 PolarHBondContact OD1-OG1 2.79Å
403	D	96.9	Very high	95.7	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.027	7%	0.071	C	C	.	.	S	Bend	trans	70	21.6	179	-147.7	47.2	0	0	0	115	C126 R127 S128 K132 G133 S400 H401	C126-D403 WeakPolarHBondContact CB-O 3.36Å; C126-D403 PolarHBondContact N-O 3.02Å; R127-D403 PolarHBondContact N-OD2 2.94Å; S128-D403 WeakPolarHBondContact CB-OD1 3.27Å; S128-D403 PolarHBondContact N-OD2 3.39Å; S128-D403 VanDerWaalsContact OG-CG 3.31Å; S128-D403 PolarHBondContact OG-OD1 2.77Å; S128-D403 PolarHBondContact OG-OD2 3.45Å; K132-D403 HydrophobicContact CB-CB 3.95Å; K132-D403 HydrophobicContact CD-CB 4.24Å; K132-D403 HydrophobicContact CG-CB 4.06Å; G133-D403 PolarHBondContact N-OD1 2.89Å; S400-D403 PolarHBondContact O-N 3.09Å; H401-D403 PolarHBondContact O-N 3.2Å
404	T	98.3	Very high	95	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.4	-177.4	71.7	0	0	0	0	114.2	R123 I124 S399 S400 D402	R123-T404 HydrophobicContact CG-CG2 4.47Å; R123-T404 PolarHBondContact NH2-OG1 2.94Å; I124-T404 VanDerWaalsContact O-CA 3.23Å; I124-T404 WeakPolarHBondContact O-CA 3.27Å; I124-T404 WeakPolarHBondContact O-CB 3.42Å; S399-T404 WeakPolarHBondContact CA-O 3.38Å; S400-T404 PolarHBondContact N-O 3.49Å; D402-T404 VanDerWaalsContact C-N 3.31Å; D402-T404 WeakPolarHBondContact OD1-CB 3.16Å; D402-T404 PolarHBondContact OD1-N 2.6Å; D402-T404 PolarHBondContact OD1-OG1 2.79Å
405	I	98.7	Very high	93.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.4	164.3	-58.2	169.4	0	0	0	107.3	I124 V134 L137 I144 C146 F156 V397 S398	I124-I405 HydrophobicContact CB-CB 4.18Å; I124-I405 PolarHBondContact N-O 3.39Å; I124-I405 PolarHBondContact O-N 2.86Å; V134-I405 HydrophobicContact CG1-CD1 4.45Å; V134-I405 HydrophobicContact CG1-CG1 4.28Å; L137-I405 HydrophobicContact CD2-CG2 4.36Å; I144-I405 HydrophobicContact CD1-CG2 4.48Å; I144-I405 HydrophobicContact CG2-CD1 4.17Å; C146-I405 HydrophobicContact CB-CD1 3.93Å; F156-I405 HydrophobicContact CD2-CD1 4.47Å; F156-I405 HydrophobicContact CE2-CD1 4.45Å; V397-I405 HydrophobicContact CG1-CG2 3.6Å; S398-I405 CarbonylContact O-C 3.6Å; S398-I405 WeakPolarHBondContact O-CA 3.36Å
406	L	98.7	Very high	92.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.2	175.5	-64.4	-176.9	0	0	0	110.5	L121 Y122 R123 E381 H382 V397 S398 W408	L121-L406 HydrophobicContact CD1-CB 4.19Å; L121-L406 HydrophobicContact CD1-CD1 4.43Å; L121-L406 HydrophobicContact CD1-CD2 4.43Å; L121-L406 HydrophobicContact CD2-CD2 4.43Å; L121-L406 HydrophobicContact CG-CD2 4.46Å; Y122-L406 WeakPolarHBondContact O-CA 3.17Å; R123-L406 HydrophobicContact CB-CD2 3.8Å; R123-L406 HydrophobicContact CG-CD2 3.7Å; E381-L406 HydrophobicContact CB-CD1 3.63Å; H382-L406 VanDerWaalsContact CE1-CG 3.48Å; H382-L406 WeakPolarHBondContact CE1-CG 3.15Å; V397-L406 CarbonylContact C-O 3.56Å; V397-L406 VanDerWaalsContact CA-O 3.32Å; V397-L406 WeakPolarHBondContact CA-O 3.28Å; S398-L406 PolarHBondContact N-O 2.88Å; S398-L406 PolarHBondContact O-N 3.4Å; L406-W408 HydrophobicContact CB-CZ2 4.45Å; L406-W408 HydrophobicContact CD1-CZ2 3.86Å
407	I	98.5	Very high	89.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.5	174.3	-66.6	144.9	0	0	0	107.4	L121 Y122 I124 I144 L161 I396 V397	L121-I407 WeakPolarHBondContact CA-O 3.32Å; Y122-I407 HydrophobicContact CD2-CB 4.23Å; Y122-I407 HydrophobicContact CD2-CG2 3.81Å; Y122-I407 PolarHBondContact N-O 3.45Å; Y122-I407 PolarHBondContact O-N 2.87Å; I124-I407 HydrophobicContact CD1-CD1 4.44Å; I144-I407 HydrophobicContact CD1-CD1 4.13Å; I144-I407 HydrophobicContact CD1-CG1 4.38Å; L161-I407 HydrophobicContact CD1-CD1 4.49Å; L161-I407 HydrophobicContact CD2-CD1 3.64Å; I396-I407 CarbonylContact O-C 3.57Å; I396-I407 WeakPolarHBondContact O-CA 3.34Å; V397-I407 HydrophobicContact CG1-CG1 4.35Å; V397-I407 HydrophobicContact CG2-CG1 4.24Å
408	W	98.4	Very high	86.6	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	96.9	-178.9	-48.6	76	0	0	0	108.3	H119 L121 I356 L379 E381 Q395 I396 S398 L406 F410	H119-W408 AromaticContact CD2-CE3 3.56Å; H119-W408 AromaticContact CE1-CE3 3.74Å; H119-W408 AromaticContact CE1-CZ3 3.79Å; H119-W408 AromaticContact NE2-CE3 3.28Å; H119-W408 VanDerWaalsContact NE2-CE3 3.28Å; H119-W408 AromaticContact NE2-CZ3 3.46Å; H119-W408 WeakPolarHBondContact NE2-CZ3 3.5Å; L121-W408 HydrophobicContact CD1-CD2 3.72Å; L121-W408 HydrophobicContact CD1-CE3 3.72Å; L121-W408 HydrophobicContact CD1-CG 4.22Å; L121-W408 HydrophobicContact CD1-CH2 4.46Å; L121-W408 HydrophobicContact CD1-CZ2 4.42Å; L121-W408 HydrophobicContact CD1-CZ3 4.08Å; I356-W408 HydrophobicContact CD1-CZ2 3.98Å; L379-W408 HydrophobicContact CB-CE3 4.3Å; L379-W408 HydrophobicContact CB-CH2 3.72Å; L379-W408 HydrophobicContact CB-CZ3 3.65Å; L379-W408 HydrophobicContact CD1-CD2 4.09Å; L379-W408 HydrophobicContact CD1-CE3 3.75Å; L379-W408 HydrophobicContact CD1-CH2 4.45Å; L379-W408 HydrophobicContact CD1-CZ3 3.97Å; L379-W408 HydrophobicContact CG-CE3 4.5Å; L379-W408 HydrophobicContact CG-CZ3 4.28Å; E381-W408 HydrophobicContact CB-CH2 3.34Å; E381-W408 HydrophobicContact CB-CZ2 3.88Å; E381-W408 HydrophobicContact CB-CZ3 4.05Å; E381-W408 HydrophobicContact CG-CH2 3.24Å; E381-W408 HydrophobicContact CG-CZ2 4.2Å; E381-W408 HydrophobicContact CG-CZ3 3.42Å; E381-W408 VanDerWaalsContact CG-CZ3 3.42Å; Q395-W408 CarbonylContact C-O 3.52Å; Q395-W408 WeakPolarHBondContact CA-O 3.33Å; Q395-W408 VanDerWaalsContact CB-O 3.3Å; Q395-W408 WeakPolarHBondContact CB-O 3.44Å; I396-W408 HydrophobicContact CB-CB 4Å; I396-W408 HydrophobicContact CB-CG 4.06Å; I396-W408 PolarHBondContact N-O 2.84Å; I396-W408 VanDerWaalsContact O-CD1 3.31Å; I396-W408 PolarHBondContact O-N 2.91Å; S398-W408 PolarHBondContact OG-NE1 3.49Å; L406-W408 HydrophobicContact CB-CZ2 4.45Å; L406-W408 HydrophobicContact CD1-CZ2 3.86Å; W408-F410 HydrophobicContact CB-CE2 3.93Å; W408-F410 HydrophobicContact CB-CZ 4.34Å; W408-F410 WeakPolarHBondContact O-CD2 3.36Å
409	D	95.6	Very high	83.4	Confident	14 Å²	14	52.9 Å²	52.9	8%	0.075	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	110.3	-175.4	178.2	-7.3	0	0	0	111.1	H119 V120 Y122 L411 N412	H119-D409 CarbonylContact C-O 3.52Å; H119-D409 WeakPolarHBondContact CA-O 3.23Å; H119-D409 WeakPolarHBondContact CB-O 3.49Å; V120-D409 HydrophobicContact CB-CB 4.28Å; V120-D409 PolarHBondContact N-O 3Å; V120-D409 PolarHBondContact O-N 2.86Å; Y122-D409 HydrophobicContact CE2-CB 4.06Å; D409-L411 WeakPolarHBondContact OD1-CA 3.41Å; D409-L411 WeakPolarHBondContact OD1-CB 3.26Å; D409-L411 PolarHBondContact OD1-N 3.41Å; D409-N412 PolarHBondContact OD1-N 3.36Å; D409-N412 WeakPolarHBondContact OD2-CB 3.36Å; D409-N412 PolarHBondContact OD2-ND2 2.61Å
410	F	94.1	Very high	80.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-91.8	-6.7	179	-62.4	-86.5	0	0	0	113.3	N113 W114 R118 H119 I358 L379 F394 I396 W408	N113-F410 HydrophobicContact CB-CB 4.25Å; N113-F410 HydrophobicContact CB-CD1 4.37Å; N113-F410 WeakPolarHBondContact CB-O 3.28Å; N113-F410 PolarHBondContact ND2-O 3.42Å; W114-F410 HydrophobicContact CD2-CB 4.44Å; W114-F410 HydrophobicContact CD2-CD1 4.19Å; W114-F410 AromaticContact CD2-CD2 3.84Å; W114-F410 HydrophobicContact CD2-CD2 3.84Å; W114-F410 HydrophobicContact CD2-CE1 4.43Å; W114-F410 HydrophobicContact CD2-CE2 4.12Å; W114-F410 AromaticContact CD2-CG 3.89Å; W114-F410 HydrophobicContact CD2-CG 3.89Å; W114-F410 HydrophobicContact CD2-CZ 4.4Å; W114-F410 AromaticContact CE2-CD2 3.51Å; W114-F410 AromaticContact CE2-CG 3.77Å; W114-F410 HydrophobicContact CE3-CD2 4.18Å; W114-F410 HydrophobicContact CE3-CE1 4.43Å; W114-F410 AromaticContact CE3-CE2 3.97Å; W114-F410 HydrophobicContact CE3-CE2 3.97Å; W114-F410 HydrophobicContact CE3-CZ 4.11Å; W114-F410 HydrophobicContact CG-CB 4.32Å; W114-F410 HydrophobicContact CG-CD1 4.18Å; W114-F410 HydrophobicContact CG-CG 4.08Å; W114-F410 AromaticContact CH2-CD2 3.9Å; W114-F410 HydrophobicContact CH2-CD2 3.9Å; W114-F410 AromaticContact CH2-CE2 3.79Å; W114-F410 HydrophobicContact CH2-CE2 3.79Å; W114-F410 AromaticContact CZ2-CD2 3.54Å; W114-F410 HydrophobicContact CZ2-CD2 3.54Å; W114-F410 AromaticContact CZ2-CE2 3.94Å; W114-F410 HydrophobicContact CZ2-CE2 3.94Å; W114-F410 HydrophobicContact CZ2-CG 4.27Å; W114-F410 HydrophobicContact CZ3-CD2 4.21Å; W114-F410 AromaticContact CZ3-CE2 3.81Å; W114-F410 HydrophobicContact CZ3-CE2 3.81Å; W114-F410 HydrophobicContact CZ3-CZ 4.23Å; W114-F410 AromaticContact NE1-CG 3.89Å; R118-F410 VanDerWaalsContact O-CD1 3.29Å; R118-F410 WeakPolarHBondContact O-CD1 3.33Å; H119-F410 HydrophobicContact CB-CD1 4.01Å; H119-F410 HydrophobicContact CB-CE1 3.94Å; H119-F410 HydrophobicContact CB-CG 4.43Å; H119-F410 HydrophobicContact CB-CZ 4.31Å; I358-F410 HydrophobicContact CD1-CZ 4.28Å; L379-F410 HydrophobicContact CD1-CZ 4.16Å; F394-F410 WeakPolarHBondContact O-CB 3.49Å; F394-F410 PolarHBondContact O-N 2.95Å; I396-F410 HydrophobicContact CD1-CE2 3.92Å; I396-F410 HydrophobicContact CD1-CZ 4.21Å; I396-F410 HydrophobicContact CG1-CE2 4.06Å; W408-F410 HydrophobicContact CB-CE2 3.93Å; W408-F410 HydrophobicContact CB-CZ 4.34Å; W408-F410 WeakPolarHBondContact O-CD2 3.36Å
411	L	89.9	Confident	77	Confident	5 Å²	5	65.1 Å²	65.1	3%	0.026	34%	0.344	C	S	.	.	S	Bend	trans	-87.4	-43.7	-178.1	176	64.7	0	0	0	112	L54 K57 I110 F394 D409	L54-L411 HydrophobicContact CD1-CD1 3.65Å; L54-L411 HydrophobicContact CD1-CD2 4.49Å; K57-L411 HydrophobicContact CB-CD2 3.87Å; K57-L411 HydrophobicContact CD-CD2 3.61Å; K57-L411 HydrophobicContact CG-CD2 4.35Å; I110-L411 HydrophobicContact CD1-CD1 3.44Å; I110-L411 VanDerWaalsContact CD1-CD1 3.44Å; I110-L411 HydrophobicContact CG1-CD1 3.76Å; F394-L411 HydrophobicContact CB-CB 4.18Å; F394-L411 HydrophobicContact CD1-CB 4.21Å; F394-L411 HydrophobicContact CD1-CD1 4.14Å; F394-L411 HydrophobicContact CD1-CD2 3.99Å; F394-L411 HydrophobicContact CD1-CG 4.36Å; F394-L411 HydrophobicContact CG-CD2 4.39Å; D409-L411 WeakPolarHBondContact OD1-CA 3.41Å; D409-L411 WeakPolarHBondContact OD1-CB 3.26Å; D409-L411 PolarHBondContact OD1-N 3.41Å
412	N	86.3	Confident	73.9	Confident	76 Å²	76	67.2 Å²	67.2	41%	0.406	37%	0.366	S	S	.	.	S	Bend	trans	-95.8	10.7	-170.6	-63.3	-55	0	0	0	114.4	D409 K414	D409-N412 PolarHBondContact OD1-N 3.36Å; D409-N412 WeakPolarHBondContact OD2-CB 3.36Å; D409-N412 PolarHBondContact OD2-ND2 2.61Å; N412-K414 PolarHBondContact O-N 3.38Å
413	F	84.6	Confident	70.9	Confident	53 Å²	53	73.3 Å²	73.3	23%	0.232	40%	0.399	C	S	.	.			trans	-63.5	126.5	176.6	179.4	-92.7	0	0	0	111.7	R118 P415	R118-F413 HydrophobicContact CB-CD1 3.73Å; R118-F413 HydrophobicContact CB-CD2 3.98Å; R118-F413 HydrophobicContact CB-CE1 3.75Å; R118-F413 HydrophobicContact CB-CE2 3.97Å; R118-F413 HydrophobicContact CB-CG 3.86Å; R118-F413 HydrophobicContact CB-CZ 3.86Å; R118-F413 HydrophobicContact CG-CD1 4.43Å; R118-F413 HydrophobicContact CG-CE1 3.98Å; R118-F413 HydrophobicContact CG-CZ 4.02Å; F413-P415 HydrophobicContact CE1-CB 4.44Å; F413-P415 HydrophobicContact CE1-CG 4.15Å
414	K	76.6	Confident	67.8	Low	177 Å²	177	82.1 Å²	82.1	77%	0.77	44%	0.44	S	S	*	.			trans	-119	125.9	171.6	-66.9	-177.2	-178.9	179.3	0	109.2	N412 I416	N412-K414 PolarHBondContact O-N 3.38Å; K414-I416 PolarHBondContact O-N 3.37Å
415	P	69.3	Low	65	Low	69 Å²	69	93.1 Å²	93.1	45%	0.448	48%	0.481	S	S	.	.			trans	-61.9	129.5	173.8	-12.7	24.6	0	0	0	109.7	F413 F417	F413-P415 HydrophobicContact CE1-CB 4.44Å; F413-P415 HydrophobicContact CE1-CG 4.15Å; P415-F417 VanDerWaalsContact C-N 3.34Å; P415-F417 HydrophobicContact CB-CD2 4.29Å; P415-F417 HydrophobicContact CB-CE2 4.06Å; P415-F417 HydrophobicContact CB-CZ 4.43Å; P415-F417 HydrophobicContact CG-CE2 4.2Å; P415-F417 PolarHBondContact O-N 3.13Å
416	I	61.8	Low	62.1	Low	171 Å²	171	100.8 Å²	100.8	88%	0.877	52%	0.522	S	S	*	.			trans	-74.2	93.9	166.4	-54.5	171.2	0	0	0	105.9	K414 G418	K414-I416 PolarHBondContact O-N 3.37Å; I416-G418 PolarHBondContact O-N 2.82Å; I416-G418 VanDerWaalsContact O-N 3.14Å
417	F	45.8	Very low	59.3	Low	180 Å²	180	104.5 Å²	104.5	79%	0.789	56%	0.561	S	S	*	*			trans	-71.3	104.7	168.4	-74.6	-77	0	0	0	107.9	P415 F419	P415-F417 VanDerWaalsContact C-N 3.34Å; P415-F417 HydrophobicContact CB-CD2 4.29Å; P415-F417 HydrophobicContact CB-CE2 4.06Å; P415-F417 HydrophobicContact CB-CZ 4.43Å; P415-F417 HydrophobicContact CG-CE2 4.2Å; P415-F417 PolarHBondContact O-N 3.13Å; F417-F419 PolarHBondContact O-N 3.06Å
418	G	35.6	Very low	56.4	Low	70 Å²	70	112.6 Å²	112.6	72%	0.722	60%	0.604	S	S	*	*			trans	-67.7	118.4	165.1	0	0	0	0	0	109.2	I416 N420	I416-G418 PolarHBondContact O-N 2.82Å; I416-G418 VanDerWaalsContact O-N 3.14Å; G418-N420 PolarHBondContact O-N 2.77Å
419	F	30.5	Very low	53.7	Low	190 Å²	190	116.6 Å²	116.6	83%	0.833	64%	0.637	S	S	*	*			trans	-59.8	105.2	164	-97.3	-96.7	0	0	0	108.6	F417	F417-F419 PolarHBondContact O-N 3.06Å
420	N	30.5	Very low	51	Low	164 Å²	164	121 Å²	121	88%	0.877	67%	0.669	S	S	*	*			trans	-123.5	84.4	151.3	-90	-11	0	0	0	106.5	G418 S422	G418-N420 PolarHBondContact O-N 2.77Å; N420-S422 PolarHBondContact O-N 3.19Å
421	S	33.4	Very low	48.5	Very low	93 Å²	93	126.8 Å²	126.8	65%	0.65	71%	0.71	S	S	*	*			trans	-69.6	108.3	164	51	0	0	0	0	108.1	N423	S421-N423 PolarHBondContact O-N 3.24Å
422	S	31.5	Very low	46.2	Very low	111 Å²	111	133 Å²	133	78%	0.776	75%	0.748	S	S	*	*			trans	-50.2	113.9	156	49.6	0	0	0	0	109.8	N420	N420-S422 PolarHBondContact O-N 3.19Å
423	N	33.7	Very low	44.1	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	76%	0.76	S	S	*	*			trans	-150	56.7	165.5	-111.5	9	0	0	0	109.6	S421	S421-N423 PolarHBondContact O-N 3.24Å
424	E	33	Very low	42	Very low	191 Å²	191	140.3 Å²	140.3	89%	0.893	79%	0.789	S	S	*	*			trans	-140	95.7	158.8	-73.3	-167.4	164.8	0	0	108.1
425	R	38.5	Very low	40.5	Very low	233 Å²	233	137.2 Å²	137.2	88%	0.879	79%	0.787	S	S	*	*			trans	-141.8	119.8	156.5	-74.6	-166.7	-158.3	178.6	6.5	108.5
426	D	38	Very low	39.3	Very low	161 Å²	161	139 Å²	139	86%	0.861	80%	0.799	S	S	*	*			trans	65.7	105.6	144.6	-51.8	-30.7	0	0	0	119.2
427	G	39	Very low	38.5	Very low	79 Å²	79	138.9 Å²	138.9	81%	0.814	80%	0.798	S	S	*	*			trans	-159	93.6	162	0	0	0	0	0	110.1
428	D	39	Very low	38.4	Very low	171 Å²	171	134 Å²	134	91%	0.914	80%	0.799	S	S	*	*			trans	-47.8	140.9	170.9	-94.7	-39.9	0	0	0	113.9
429	A	40.5	Very low	38.7	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	81%	0.806	S	S	*	*				156	113	119.6	0	0	0	0	0	113.4
430	S	40.6	Very low	39.2	Very low	108 Å²	108	133.6 Å²	133.6	76%	0.755	80%	0.801	S	S	*	*			trans	49.8	107.9	139.8	65	0	0	0	0	120.6
431	S	41.5	Very low	39.6	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	80%	0.802	S	S	*	*				163.1	119.4	106.4	48.4	0	0	0	0	111.8
432	T	40.7	Very low	40.2	Very low	136 Å²	136	139 Å²	139	83%	0.834	81%	0.809	S	S	*	*			trans	-84.4	174.8	165.3	51.1	0	0	0	0	108.8
433	P	42.1	Very low	40	Very low	102 Å²	102	140.6 Å²	140.6	66%	0.662	81%	0.807	S	S	*	*			cis	-151.4	168.5	19.8	41.5	-19	0	0	0	120.4
434	H	40.3	Very low	41.2	Very low	180 Å²	180	142.2 Å²	142.2	83%	0.833	83%	0.826	S	S	*	*			trans	81.1	125.8	144.3	-73.7	-51.5	0	0	0	123.9
435	P	45.9	Very low	41.6	Very low	111 Å²	111	139.8 Å²	139.8	72%	0.721	82%	0.823	S	S	*	*			trans	-98.7	-173.3	169	42.3	-33.3	0	0	0	111.5
436	P	42.8	Very low	41.7	Very low	108 Å²	108	134.9 Å²	134.9	70%	0.701	82%	0.82	S	S	*	*				-164.1	169.8	94.9	42.7	-21.3	0	0	0	119.7
437	I	45.2	Very low	42	Very low	167 Å²	167	133.4 Å²	133.4	86%	0.856	82%	0.818	S	S	*	*			trans	78.1	126.8	144.9	-66.2	148.7	0	0	0	121.9
438	G	44.7	Very low	42.1	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	82%	0.818	S	S	*	*			trans	169.7	93.2	156.6	0	0	0	0	0	114.6
439	D	41.5	Very low	42.3	Very low	164 Å²	164	134.5 Å²	134.5	88%	0.877	81%	0.812	S	S	*	*			trans	-67.5	158.1	-176.2	-90.4	-49.2	0	0	0	117.9
440	A	41.1	Very low	42.4	Very low	87 Å²	87	137.8 Å²	137.8	72%	0.719	82%	0.819	S	S	*	*			trans	137.9	106.3	134.4	0	0	0	0	0	112.9
441	R	38.9	Very low	42.6	Very low	240 Å²	240	139.9 Å²	139.9	91%	0.906	82%	0.824	S	S	*	*				57.5	130.3	87.4	-80.3	-167.3	-174.4	-166.1	3.5	112.7
442	V	44.8	Very low	42.7	Very low	130 Å²	130	141.4 Å²	141.4	79%	0.788	82%	0.822	S	S	*	*			cis	-167.6	153	26.8	146.1	0	0	0	0	108.4
443	I	29.3	Very low	42.8	Very low	144 Å²	144	141.8 Å²	141.8	74%	0.738	82%	0.821	S	S	*	*			trans	-92	177.3	177.4	-30.5	177.5	0	0	0	111.3
444	P	57.3	Low	42.9	Very low	190 Å²	190	145.5 Å²	145.5	100%	1.234	84%	0.835	S	S	*	*				-109.8	0	112.4	31.8	-31.9	0	0	0	113.7

Retrieved 444 of 444 residues in 504.1 ms (Link to these results)

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