A0A087X3P5_POEFO Loading...

Propionate--CoA ligase

AlphaFold DB , UniProt , Accession A0A087X3P5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 695 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	71.9	Confident	87.9	Confident	147 Å²	147	89.5 Å²	89.5	72%	0.724	45%	0.451	S	S	*	.				0	127.2	0	-82.1	-171	-81.1	0	0	108.7
2	I	89.5	Confident	88.3	Confident	26 Å²	26	87.8 Å²	87.8	13%	0.133	44%	0.439	C	S	.	.			trans	-87.8	131.9	166.6	-63.3	169	0	0	0	106.3	F27 Y30 Y34 F485 P486	I2-F27 HydrophobicContact CG2-CE1 4.16Å; I2-F27 HydrophobicContact CG2-CE2 4.43Å; I2-F27 HydrophobicContact CG2-CZ 3.58Å; I2-Y30 HydrophobicContact CD1-CE1 3.96Å; I2-Y30 WeakPolarHBondContact CD1-OH 3.47Å; I2-Y30 HydrophobicContact CG2-CE1 4.03Å; I2-Y34 HydrophobicContact CD1-CD1 3.27Å; I2-Y34 HydrophobicContact CD1-CD2 4.08Å; I2-Y34 HydrophobicContact CD1-CE1 3.4Å; I2-Y34 VanDerWaalsContact CD1-CE1 3.4Å; I2-Y34 HydrophobicContact CD1-CE2 4.19Å; I2-Y34 HydrophobicContact CD1-CG 3.62Å; I2-Y34 HydrophobicContact CG1-CE1 4.49Å; I2-F485 HydrophobicContact CG1-CD1 4.4Å; I2-P486 HydrophobicContact CD1-CG 4.25Å
3	P	90.9	Very high	88.4	Confident	30 Å²	30	87.9 Å²	87.9	20%	0.195	44%	0.437	C	S	.	.			trans	-63.2	160.4	-177.1	27.8	-36.4	0	0	0	111.9	K5 P7 F27 F485 D553	P3-K5 VanDerWaalsContact C-N 3.33Å; P3-P7 HydrophobicContact CG-CG 4.05Å; P3-F27 HydrophobicContact CG-CE1 4.21Å; P3-F27 HydrophobicContact CG-CZ 3.78Å; P3-F27 WeakPolarHBondContact O-CE1 3.45Å; P3-F485 HydrophobicContact CG-CE1 4.15Å; P3-F485 HydrophobicContact CG-CZ 4.19Å; P3-D553 WeakPolarHBondContact CD-O 3.41Å; P3-D553 WeakPolarHBondContact CG-O 3.25Å
4	D	89.4	Confident	88.4	Confident	135 Å²	135	83.1 Å²	83.1	72%	0.722	42%	0.416	S	S	*	.	S	Bend	trans	-70.8	-29.2	179.5	-74.4	-31.3	0	0	0	114	K31	D4-K31 IonicContact OD1-NZ 3.95Å; D4-K31 PolarHBondContact OD1-NZ 3.4Å
5	K	89.5	Confident	88.2	Confident	162 Å²	162	81.3 Å²	81.3	70%	0.704	41%	0.414	S	S	*	.	S	Bend	trans	-129.9	153.9	178.1	-66.4	-177.6	179	179.5	0	109.6	P3 P7	P3-K5 VanDerWaalsContact C-N 3.33Å; K5-P7 WeakPolarHBondContact O-CD 3.3Å
6	A	90.6	Very high	88	Confident	17 Å²	17	83.6 Å²	83.6	14%	0.14	42%	0.423	C	S	.	.			trans	-58.3	126.1	172.2	0	0	0	0	0	110.1	Q8 F27 P477	A6-Q8 PolarHBondContact O-NE2 3.14Å; A6-F27 HydrophobicContact CB-CB 3.71Å; A6-F27 HydrophobicContact CB-CD1 4.05Å; A6-F27 HydrophobicContact CB-CD2 4.3Å; A6-F27 HydrophobicContact CB-CG 3.76Å; A6-P477 HydrophobicContact CB-CG 4.26Å
7	P	89.9	Confident	87.8	Confident	15 Å²	15	84.9 Å²	84.9	10%	0.097	43%	0.431	C	S	.	.			trans	-59.2	143.5	172.9	-31.2	44.6	0	0	0	110.9	P3 K5 V11 D553 Y555	P3-P7 HydrophobicContact CG-CG 4.05Å; K5-P7 WeakPolarHBondContact O-CD 3.3Å; P7-V11 HydrophobicContact CB-CG1 4.34Å; P7-V11 WeakPolarHBondContact O-CG2 3.45Å; P7-D553 HydrophobicContact CB-CB 4.28Å; P7-D553 HydrophobicContact CG-CB 3.89Å; P7-Y555 HydrophobicContact CB-CE2 4.27Å; P7-Y555 HydrophobicContact CG-CE2 3.91Å
8	Q	87.6	Confident	87.7	Confident	134 Å²	134	81.1 Å²	81.1	63%	0.626	41%	0.412	S	S	*	.			trans	-117.5	-24.7	-172.5	-60.5	-62.4	-53.5	0	0	113.2	A6	A6-Q8 PolarHBondContact O-NE2 3.14Å
9	E	86.2	Confident	87.8	Confident	149 Å²	149	79.8 Å²	79.8	70%	0.696	40%	0.403	S	S	*	.	S	Bend	trans	-94	141.4	-179.3	-64.6	179.8	174.6	0	0	110.2	V11	E9-V11 PolarHBondContact O-N 3.38Å; E9-V11 VanDerWaalsContact O-N 3.16Å
10	D	87.6	Confident	87.8	Confident	149 Å²	149	83.6 Å²	83.6	80%	0.797	42%	0.417	S	S	*	.	S	Bend	trans	53.1	34.5	175.9	-57.3	-36.8	0	0	0	115.1
11	V	93.5	Very high	87.8	Confident	21 Å²	21	85.5 Å²	85.5	13%	0.127	42%	0.424	C	S	.	.			trans	-124.6	155.6	178.1	-68.8	0	0	0	0	112	P7 E9 H13 P477 K479	P7-V11 HydrophobicContact CB-CG1 4.34Å; P7-V11 WeakPolarHBondContact O-CG2 3.45Å; E9-V11 PolarHBondContact O-N 3.38Å; E9-V11 VanDerWaalsContact O-N 3.16Å; V11-H13 WeakPolarHBondContact CG2-NE2 3.24Å; V11-P477 HydrophobicContact CB-CB 3.69Å; V11-P477 HydrophobicContact CG1-CB 4.12Å; V11-P477 HydrophobicContact CG2-CB 3.83Å; V11-K479 HydrophobicContact CG1-CG 3.87Å
12	F	93.5	Very high	88.9	Confident	69 Å²	69	79.2 Å²	79.2	30%	0.303	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-102.1	127.4	172.6	-68.2	-103.2	0	0	0	109.4	W441 H445 P477 T478 P480	F12-W441 HydrophobicContact CB-CH2 3.93Å; F12-W441 AromaticContact CD1-CH2 3.93Å; F12-W441 HydrophobicContact CD1-CH2 3.93Å; F12-W441 HydrophobicContact CD1-CZ3 4.04Å; F12-W441 AromaticContact CD2-CH2 3.73Å; F12-W441 HydrophobicContact CD2-CH2 3.73Å; F12-W441 AromaticContact CD2-CZ3 3.88Å; F12-W441 HydrophobicContact CD2-CZ3 3.88Å; F12-W441 HydrophobicContact CE1-CH2 4.38Å; F12-W441 HydrophobicContact CE1-CZ3 4.02Å; F12-W441 HydrophobicContact CE2-CH2 4.22Å; F12-W441 AromaticContact CE2-CZ3 3.88Å; F12-W441 HydrophobicContact CE2-CZ3 3.88Å; F12-W441 AromaticContact CG-CH2 3.58Å; F12-W441 HydrophobicContact CG-CH2 3.58Å; F12-W441 AromaticContact CG-CZ3 3.98Å; F12-W441 HydrophobicContact CG-CZ3 3.98Å; F12-W441 AromaticContact CZ-CZ3 3.94Å; F12-W441 HydrophobicContact CZ-CZ3 3.94Å; F12-H445 AromaticContact CD1-CE1 3.56Å; F12-H445 AromaticContact CD1-ND1 3.9Å; F12-H445 AromaticContact CE1-CE1 3.87Å; F12-H445 AromaticContact CE1-ND1 3.86Å; F12-P477 CarbonylContact O-C 3.58Å; F12-P477 WeakPolarHBondContact O-CA 3.23Å; F12-T478 PolarHBondContact N-O 3.43Å; F12-T478 PolarHBondContact O-N 3.41Å; F12-P480 HydrophobicContact CD2-CG 4.09Å; F12-P480 HydrophobicContact CE2-CG 3.55Å; F12-P480 HydrophobicContact CZ-CG 4.37Å
13	H	89.6	Confident	89.2	Confident	89 Å²	89	81 Å²	81	41%	0.412	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-100.3	153.8	174.8	-62.3	-81.5	0	0	0	110.7	V11	V11-H13 WeakPolarHBondContact CG2-NE2 3.24Å
14	C	88.1	Confident	89.5	Confident	21 Å²	21	80 Å²	80	14%	0.142	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-73.9	171.8	168.4	62.9	0	0	0	0	112	L18 K19 P454 P473 A474	C14-L18 HydrophobicContact CB-CD2 3.93Å; C14-K19 VanDerWaalsContact SG-CE 3.55Å; C14-P454 HydrophobicContact CB-CB 4.46Å; C14-P454 HydrophobicContact CB-CG 4.36Å; C14-P473 VanDerWaalsContact CB-O 3.23Å; C14-P473 WeakPolarHBondContact CB-O 3.07Å; C14-A474 VanDerWaalsContact SG-CA 3.6Å
15	S	84.8	Confident	89.8	Confident	56 Å²	56	76.2 Å²	76.2	39%	0.392	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-71.9	151.2	171.3	64.7	0	0	0	0	112	D17 L18 K19	S15-D17 PolarHBondContact O-N 2.91Å; S15-L18 PolarHBondContact O-N 3.16Å; S15-L18 PolarHBondContact OG-N 3.15Å; S15-K19 PolarHBondContact O-N 2.99Å
16	E	85.1	Confident	90.1	Very high	118 Å²	118	70.4 Å²	70.4	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-61.7	-28.3	175.4	-69.9	-57.4	127.4	0	0	113.1	K19 K20	E16-K19 PolarHBondContact O-N 2.96Å; E16-K19 IonicContact OE1-NZ 2.71Å; E16-K19 PolarHBondContact OE1-NZ 3.38Å; E16-K19 IonicContact OE2-NZ 2.74Å; E16-K20 PolarHBondContact O-N 2.86Å
17	D	84.6	Confident	90.4	Very high	106 Å²	106	69.9 Å²	69.9	57%	0.567	35%	0.352	S	S	*	.	H	α-helix	trans	-69.1	-37.6	177.8	-66.4	-31.7	0	0	0	112	S15 K19 K20	S15-D17 PolarHBondContact O-N 2.91Å; D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.75Å; D17-K20 PolarHBondContact O-N 3.18Å; D17-K20 IonicContact OD1-NZ 3.58Å; D17-K20 PolarHBondContact OD1-NZ 3.34Å
18	L	86.8	Confident	90.7	Very high	15 Å²	15	74.5 Å²	74.5	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-64.2	-33.9	175.3	-170.8	68.6	0	0	0	111.6	C14 S15 K20 S22 P454 P473	C14-L18 HydrophobicContact CB-CD2 3.93Å; S15-L18 PolarHBondContact O-N 3.16Å; S15-L18 PolarHBondContact OG-N 3.15Å; L18-K20 VanDerWaalsContact C-N 3.33Å; L18-K20 PolarHBondContact O-N 3.2Å; L18-S22 VanDerWaalsContact O-CB 3.27Å; L18-S22 WeakPolarHBondContact O-CB 3.5Å; L18-S22 PolarHBondContact O-N 3.36Å; L18-S22 VanDerWaalsContact O-N 3.16Å; L18-P454 HydrophobicContact CD2-CG 3.5Å; L18-P473 HydrophobicContact CD2-CB 4.1Å
19	K	88.9	Confident	91.2	Very high	57 Å²	57	71.4 Å²	71.4	25%	0.248	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-34.1	178.3	-65.2	-179.8	-176.4	168.4	0	113.2	C14 S15 E16 D17 E21 P25 A474	C14-K19 VanDerWaalsContact SG-CE 3.55Å; S15-K19 PolarHBondContact O-N 2.99Å; E16-K19 PolarHBondContact O-N 2.96Å; E16-K19 IonicContact OE1-NZ 2.71Å; E16-K19 PolarHBondContact OE1-NZ 3.38Å; E16-K19 IonicContact OE2-NZ 2.74Å; D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.75Å; K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 3.37Å; K19-P25 WeakPolarHBondContact O-CB 3.46Å; K19-A474 HydrophobicContact CG-CB 4.24Å
20	K	88.3	Confident	91.8	Very high	156 Å²	156	64.4 Å²	64.4	68%	0.678	33%	0.325	S	S	*	.	H	α-helix	trans	-67.5	-33	-177	-67.4	169.4	-167.8	156.1	0	112.9	E16 D17 L18	E16-K20 PolarHBondContact O-N 2.86Å; D17-K20 PolarHBondContact O-N 3.18Å; D17-K20 IonicContact OD1-NZ 3.58Å; D17-K20 PolarHBondContact OD1-NZ 3.34Å; L18-K20 VanDerWaalsContact C-N 3.33Å; L18-K20 PolarHBondContact O-N 3.2Å
21	E	86.8	Confident	92.2	Very high	124 Å²	124	59.9 Å²	59.9	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-100.4	-12.5	-175.2	-62.3	-179.1	173.8	0	0	113	K19 Q342	K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 3.37Å; E21-Q342 PolarHBondContact O-NE2 2.97Å
22	S	94.8	Very high	92.4	Very high	15 Å²	15	63.6 Å²	63.6	11%	0.105	31%	0.314	C	S	.	.			trans	-68.8	141.5	-173.1	174.3	0	0	0	0	113.7	L18 I24 D340 A474	L18-S22 VanDerWaalsContact O-CB 3.27Å; L18-S22 WeakPolarHBondContact O-CB 3.5Å; L18-S22 PolarHBondContact O-N 3.36Å; L18-S22 VanDerWaalsContact O-N 3.16Å; S22-I24 PolarHBondContact O-N 2.97Å; S22-I24 VanDerWaalsContact OG-C 3.27Å; S22-I24 PolarHBondContact OG-N 2.81Å; S22-I24 VanDerWaalsContact OG-N 3.12Å; S22-I24 PolarHBondContact OG-O 3.25Å; S22-D340 VanDerWaalsContact CA-OD1 3.27Å; S22-D340 WeakPolarHBondContact CA-OD1 3.23Å; S22-D340 WeakPolarHBondContact CA-OD2 3.32Å; S22-D340 PolarHBondContact OG-OD1 3.03Å; S22-A474 VanDerWaalsContact OG-CB 3.27Å; S22-A474 WeakPolarHBondContact OG-CB 3.41Å
23	H	96.8	Very high	92.7	Very high	64 Å²	64	61.4 Å²	61.4	30%	0.296	31%	0.305	S	S	.	.	S	Bend	trans	-59.2	-36.1	171.8	-63.8	-68.4	0	0	0	111.6	L337 D340 H341 Q342	H23-L337 HydrophobicContact CB-CD2 3.67Å; H23-D340 IonicContact CD2-OD1 2.79Å; H23-D340 PolarHBondContact CD2-OD1 2.77Å; H23-D340 IonicContact CG-OD1 3.61Å; H23-D340 PolarHBondContact N-OD1 2.83Å; H23-H341 PolarHBondContact NE2-O 3.07Å; H23-Q342 PolarHBondContact NE2-NE2 2.87Å
24	I	97.3	Very high	93.1	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.046	29%	0.291	C	S	.	.	S	Bend	trans	-123.7	94.2	176.5	-45.4	-52.7	0	0	0	108.3	S22 K29 L33 L337 L472 A474 A475	S22-I24 PolarHBondContact O-N 2.97Å; S22-I24 VanDerWaalsContact OG-C 3.27Å; S22-I24 PolarHBondContact OG-N 2.81Å; S22-I24 VanDerWaalsContact OG-N 3.12Å; S22-I24 PolarHBondContact OG-O 3.25Å; I24-K29 HydrophobicContact CG2-CB 4.24Å; I24-K29 HydrophobicContact CG2-CG 4.22Å; I24-L33 HydrophobicContact CD1-CD1 3.28Å; I24-L33 HydrophobicContact CG1-CD1 4.44Å; I24-L337 HydrophobicContact CD1-CD2 4.44Å; I24-L337 HydrophobicContact CG1-CD2 4.46Å; I24-L472 HydrophobicContact CB-CD1 4.23Å; I24-L472 HydrophobicContact CG1-CD1 4.02Å; I24-L472 HydrophobicContact CG2-CD1 4.19Å; I24-A474 WeakPolarHBondContact O-CB 3.45Å; I24-A475 HydrophobicContact CB-CB 4.36Å; I24-A475 HydrophobicContact CG2-CB 3.78Å
25	P	95.9	Very high	93.6	Very high	54 Å²	54	60 Å²	60	35%	0.351	30%	0.299	S	S	.	.			trans	-85.8	-8.2	-167.1	33.5	-38.3	0	0	0	114.4	K19	K19-P25 WeakPolarHBondContact O-CB 3.46Å
26	S	95.9	Very high	94.2	Very high	41 Å²	41	61.1 Å²	61.1	29%	0.287	30%	0.295	S	S	.	.	S	Bend	trans	-150.9	158.2	-175	69.6	0	0	0	0	113.4	E28 K29 Y30 A475	S26-E28 VanDerWaalsContact C-N 3.3Å; S26-E28 WeakPolarHBondContact CB-OE2 3.26Å; S26-E28 PolarHBondContact O-N 2.96Å; S26-K29 PolarHBondContact O-N 3.28Å; S26-K29 WeakPolarHBondContact OG-CB 3.25Å; S26-K29 PolarHBondContact OG-N 3.27Å; S26-Y30 PolarHBondContact O-N 3.48Å; S26-A475 VanDerWaalsContact O-CB 3.27Å; S26-A475 WeakPolarHBondContact O-CB 3.44Å
27	F	96.7	Very high	94.8	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.022	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-37.9	176.3	-170.3	-100.3	0	0	0	112.1	I2 P3 A6 K29 Y30 K31 A475 T476 F485	I2-F27 HydrophobicContact CG2-CE1 4.16Å; I2-F27 HydrophobicContact CG2-CE2 4.43Å; I2-F27 HydrophobicContact CG2-CZ 3.58Å; P3-F27 HydrophobicContact CG-CE1 4.21Å; P3-F27 HydrophobicContact CG-CZ 3.78Å; P3-F27 WeakPolarHBondContact O-CE1 3.45Å; A6-F27 HydrophobicContact CB-CB 3.71Å; A6-F27 HydrophobicContact CB-CD1 4.05Å; A6-F27 HydrophobicContact CB-CD2 4.3Å; A6-F27 HydrophobicContact CB-CG 3.76Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.34Å; F27-Y30 HydrophobicContact CD2-CD1 4.18Å; F27-Y30 HydrophobicContact CE2-CD1 4.07Å; F27-Y30 HydrophobicContact CE2-CE1 4.28Å; F27-Y30 WeakPolarHBondContact O-CB 3.47Å; F27-Y30 PolarHBondContact O-N 2.99Å; F27-K31 PolarHBondContact O-N 3.17Å; F27-A475 VanDerWaalsContact CA-O 3.31Å; F27-A475 WeakPolarHBondContact CA-O 3.09Å; F27-A475 VanDerWaalsContact CB-O 3.3Å; F27-A475 WeakPolarHBondContact CB-O 3.11Å; F27-A475 PolarHBondContact N-O 2.83Å; F27-T476 HydrophobicContact CD2-CG2 4.22Å; F27-T476 HydrophobicContact CE2-CG2 4.36Å; F27-F485 HydrophobicContact CE2-CD2 4.03Å; F27-F485 AromaticContact CE2-CE2 3.59Å; F27-F485 HydrophobicContact CE2-CE2 3.59Å; F27-F485 AromaticContact CE2-CZ 3.94Å; F27-F485 HydrophobicContact CE2-CZ 3.94Å; F27-F485 HydrophobicContact CZ-CE2 4.3Å; F27-F485 HydrophobicContact CZ-CZ 4.2Å
28	E	96.9	Very high	95.4	Very high	112 Å²	112	52.5 Å²	52.5	52%	0.523	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-42.9	175.9	-64.6	72.3	-159	0	0	110.7	S26 K31 E32	S26-E28 VanDerWaalsContact C-N 3.3Å; S26-E28 WeakPolarHBondContact CB-OE2 3.26Å; S26-E28 PolarHBondContact O-N 2.96Å; E28-K31 PolarHBondContact O-N 2.93Å; E28-E32 WeakPolarHBondContact O-CB 3.39Å; E28-E32 PolarHBondContact O-N 3.36Å
29	K	97.3	Very high	95.8	Very high	70 Å²	70	58.4 Å²	58.4	30%	0.304	28%	0.279	S	S	.	.	H	α-helix	trans	-67.9	-39.9	177.5	-173.1	55.1	172.8	-178.4	0	111.8	I24 S26 F27 K31 E32 L33	I24-K29 HydrophobicContact CG2-CB 4.24Å; I24-K29 HydrophobicContact CG2-CG 4.22Å; S26-K29 PolarHBondContact O-N 3.28Å; S26-K29 WeakPolarHBondContact OG-CB 3.25Å; S26-K29 PolarHBondContact OG-N 3.27Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.34Å; K29-K31 VanDerWaalsContact C-N 3.35Å; K29-E32 VanDerWaalsContact CD-OE2 3.26Å; K29-E32 WeakPolarHBondContact CD-OE2 3.49Å; K29-E32 IonicContact NZ-OE1 2.68Å; K29-E32 PolarHBondContact NZ-OE1 2.92Å; K29-E32 IonicContact NZ-OE2 3.35Å; K29-E32 PolarHBondContact NZ-OE2 2.95Å; K29-E32 PolarHBondContact O-N 3.06Å; K29-L33 HydrophobicContact CD-CD1 4.4Å; K29-L33 HydrophobicContact CD-CG 4.33Å; K29-L33 HydrophobicContact CG-CD1 4.25Å; K29-L33 WeakPolarHBondContact O-CG 3.46Å; K29-L33 PolarHBondContact O-N 2.78Å; K29-L33 VanDerWaalsContact O-N 3.07Å
30	Y	98.1	Very high	96.1	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-55.8	-50.2	171	158.7	-106.8	0	0	0	111	I2 S26 F27 E32 L33 Y34 L472 T476 F485 P486 F488	I2-Y30 HydrophobicContact CD1-CE1 3.96Å; I2-Y30 WeakPolarHBondContact CD1-OH 3.47Å; I2-Y30 HydrophobicContact CG2-CE1 4.03Å; S26-Y30 PolarHBondContact O-N 3.48Å; F27-Y30 HydrophobicContact CD2-CD1 4.18Å; F27-Y30 HydrophobicContact CE2-CD1 4.07Å; F27-Y30 HydrophobicContact CE2-CE1 4.28Å; F27-Y30 WeakPolarHBondContact O-CB 3.47Å; F27-Y30 PolarHBondContact O-N 2.99Å; Y30-E32 PolarHBondContact O-N 3.42Å; Y30-L33 PolarHBondContact O-N 2.81Å; Y30-Y34 WeakPolarHBondContact O-CB 3.41Å; Y30-Y34 PolarHBondContact O-N 3.32Å; Y30-L472 HydrophobicContact CD2-CD1 3.62Å; Y30-L472 HydrophobicContact CD2-CG 4.44Å; Y30-L472 HydrophobicContact CE2-CD1 4.37Å; Y30-L472 HydrophobicContact CG-CD1 4.4Å; Y30-T476 HydrophobicContact CD1-CG2 3.99Å; Y30-T476 HydrophobicContact CE1-CG2 4.25Å; Y30-T476 HydrophobicContact CG-CG2 4.17Å; Y30-F485 HydrophobicContact CE1-CB 4.05Å; Y30-F485 HydrophobicContact CE1-CG 4.37Å; Y30-F485 WeakPolarHBondContact OH-CB 3.26Å; Y30-P486 PolarHBondContact OH-O 3.41Å; Y30-F488 AromaticContact CD2-CE1 3.67Å; Y30-F488 HydrophobicContact CD2-CE1 3.67Å; Y30-F488 HydrophobicContact CD2-CZ 4.12Å; Y30-F488 AromaticContact CE2-CE1 3.92Å; Y30-F488 HydrophobicContact CE2-CE1 3.92Å
31	K	97.8	Very high	96.4	Very high	54 Å²	54	53.8 Å²	53.8	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-44.5	-179	-173.2	177.6	175.1	178.2	0	112	D4 F27 E28 K29 L33 Y34 T35	D4-K31 IonicContact OD1-NZ 3.95Å; D4-K31 PolarHBondContact OD1-NZ 3.4Å; F27-K31 PolarHBondContact O-N 3.17Å; E28-K31 PolarHBondContact O-N 2.93Å; K29-K31 VanDerWaalsContact C-N 3.35Å; K31-L33 PolarHBondContact O-N 3.3Å; K31-Y34 PolarHBondContact O-N 3.5Å; K31-T35 WeakPolarHBondContact O-CB 3.33Å; K31-T35 PolarHBondContact O-N 2.99Å; K31-T35 PolarHBondContact O-OG1 3.46Å
32	E	97.6	Very high	96.7	Very high	99 Å²	99	51.6 Å²	51.6	46%	0.463	26%	0.259	S	S	.	.	H	α-helix	trans	-54.7	-50.5	175.3	-175.6	-154.6	132.7	0	0	111.4	E28 K29 Y30 R36	E28-E32 WeakPolarHBondContact O-CB 3.39Å; E28-E32 PolarHBondContact O-N 3.36Å; K29-E32 VanDerWaalsContact CD-OE2 3.26Å; K29-E32 WeakPolarHBondContact CD-OE2 3.49Å; K29-E32 IonicContact NZ-OE1 2.68Å; K29-E32 PolarHBondContact NZ-OE1 2.92Å; K29-E32 IonicContact NZ-OE2 3.35Å; K29-E32 PolarHBondContact NZ-OE2 2.95Å; K29-E32 PolarHBondContact O-N 3.06Å; Y30-E32 PolarHBondContact O-N 3.42Å; E32-R36 WeakPolarHBondContact O-CB 3.3Å; E32-R36 PolarHBondContact O-N 3.48Å
33	L	98.1	Very high	96.7	Very high	23 Å²	23	56 Å²	56	12%	0.12	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-37.4	-179.3	-68.4	176.1	0	0	0	112.4	I24 K29 Y30 K31 R36 S37 F44 F488	I24-L33 HydrophobicContact CD1-CD1 3.28Å; I24-L33 HydrophobicContact CG1-CD1 4.44Å; K29-L33 HydrophobicContact CD-CD1 4.4Å; K29-L33 HydrophobicContact CD-CG 4.33Å; K29-L33 HydrophobicContact CG-CD1 4.25Å; K29-L33 WeakPolarHBondContact O-CG 3.46Å; K29-L33 PolarHBondContact O-N 2.78Å; K29-L33 VanDerWaalsContact O-N 3.07Å; Y30-L33 PolarHBondContact O-N 2.81Å; K31-L33 PolarHBondContact O-N 3.3Å; L33-R36 PolarHBondContact O-N 2.98Å; L33-S37 WeakPolarHBondContact O-CB 3.49Å; L33-S37 PolarHBondContact O-N 3.42Å; L33-F44 HydrophobicContact CB-CE2 4.2Å; L33-F44 HydrophobicContact CD2-CE2 4.24Å; L33-F488 HydrophobicContact CB-CD1 4.43Å; L33-F488 HydrophobicContact CB-CE1 3.7Å; L33-F488 HydrophobicContact CB-CE2 4.27Å; L33-F488 HydrophobicContact CB-CZ 3.61Å; L33-F488 HydrophobicContact CD1-CE2 4.43Å; L33-F488 HydrophobicContact CD1-CZ 4.09Å
34	Y	98.4	Very high	96.7	Very high	31 Å²	31	53.7 Å²	53.7	12%	0.122	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-52.9	174.2	176.1	-92	0	0	0	110.7	I2 Y30 K31 R36 S37 I38 P486 F488 V490	I2-Y34 HydrophobicContact CD1-CD1 3.27Å; I2-Y34 HydrophobicContact CD1-CD2 4.08Å; I2-Y34 HydrophobicContact CD1-CE1 3.4Å; I2-Y34 VanDerWaalsContact CD1-CE1 3.4Å; I2-Y34 HydrophobicContact CD1-CE2 4.19Å; I2-Y34 HydrophobicContact CD1-CG 3.62Å; I2-Y34 HydrophobicContact CG1-CE1 4.49Å; Y30-Y34 WeakPolarHBondContact O-CB 3.41Å; Y30-Y34 PolarHBondContact O-N 3.32Å; K31-Y34 PolarHBondContact O-N 3.5Å; Y34-R36 VanDerWaalsContact C-N 3.31Å; Y34-R36 PolarHBondContact O-N 3Å; Y34-S37 WeakPolarHBondContact O-CB 2.99Å; Y34-S37 PolarHBondContact O-N 2.94Å; Y34-S37 PolarHBondContact O-OG 2.89Å; Y34-I38 HydrophobicContact CD1-CG1 4.48Å; Y34-I38 HydrophobicContact CE1-CG1 4.04Å; Y34-I38 HydrophobicContact CE2-CD1 4.35Å; Y34-I38 HydrophobicContact CE2-CG1 4.3Å; Y34-I38 WeakPolarHBondContact O-CG1 3.49Å; Y34-I38 PolarHBondContact O-N 2.71Å; Y34-P486 HydrophobicContact CD2-CG 4.3Å; Y34-P486 HydrophobicContact CE2-CB 3.81Å; Y34-P486 HydrophobicContact CE2-CG 3.47Å; Y34-P486 VanDerWaalsContact CE2-CG 3.47Å; Y34-F488 HydrophobicContact CD2-CD1 4.4Å; Y34-V490 WeakPolarHBondContact CE2-O 3.27Å; Y34-V490 PolarHBondContact OH-O 3.31Å; Y34-V490 VanDerWaalsContact OH-O 3.1Å
35	T	97.9	Very high	96.7	Very high	49 Å²	49	53.3 Å²	53.3	30%	0.301	27%	0.265	S	S	.	.	H	α-helix	trans	-55.3	-47.5	176.7	-66	0	0	0	0	111	K31 S37 I38 E39	K31-T35 WeakPolarHBondContact O-CB 3.33Å; K31-T35 PolarHBondContact O-N 2.99Å; K31-T35 PolarHBondContact O-OG1 3.46Å; T35-S37 VanDerWaalsContact C-N 3.3Å; T35-S37 PolarHBondContact O-N 2.78Å; T35-I38 PolarHBondContact O-N 3.45Å; T35-I38 VanDerWaalsContact O-N 3.11Å; T35-E39 HydrophobicContact CG2-CG 4.11Å; T35-E39 WeakPolarHBondContact CG2-OE1 3.32Å; T35-E39 WeakPolarHBondContact CG2-OE2 3.43Å; T35-E39 WeakPolarHBondContact O-CB 3.39Å; T35-E39 PolarHBondContact O-N 3.44Å
36	R	97.8	Very high	96.7	Very high	80 Å²	80	51.5 Å²	51.5	30%	0.302	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-38.2	176.8	-171.5	177.3	176.9	-159.8	1.3	112.8	E32 L33 Y34 I38 N40 E43 F44	E32-R36 WeakPolarHBondContact O-CB 3.3Å; E32-R36 PolarHBondContact O-N 3.48Å; L33-R36 PolarHBondContact O-N 2.98Å; Y34-R36 VanDerWaalsContact C-N 3.31Å; Y34-R36 PolarHBondContact O-N 3Å; R36-I38 PolarHBondContact O-N 2.86Å; R36-N40 HydrophobicContact CG-CB 4.42Å; R36-N40 CarbonylContact O-C 3.51Å; R36-N40 VanDerWaalsContact O-C 3.28Å; R36-N40 WeakPolarHBondContact O-CA 3.4Å; R36-N40 PolarHBondContact O-N 3.22Å; R36-E43 IonicContact CZ-OE1 3.96Å; R36-E43 IonicContact CZ-OE2 3.47Å; R36-E43 IonicContact NE-OE1 3.98Å; R36-E43 IonicContact NE-OE2 2.68Å; R36-E43 PolarHBondContact NE-OE2 3.4Å; R36-E43 IonicContact NH2-OE1 3.74Å; R36-E43 PolarHBondContact NH2-OE1 3.49Å; R36-E43 IonicContact NH2-OE2 3.14Å; R36-F44 HydrophobicContact CB-CD2 4.49Å; R36-F44 HydrophobicContact CG-CB 4.49Å; R36-F44 HydrophobicContact CG-CD2 4.41Å
37	S	97.8	Very high	96.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-21.7	178.5	77.5	0	0	0	0	114	L33 Y34 T35 F488 G489	L33-S37 WeakPolarHBondContact O-CB 3.49Å; L33-S37 PolarHBondContact O-N 3.42Å; Y34-S37 WeakPolarHBondContact O-CB 2.99Å; Y34-S37 PolarHBondContact O-N 2.94Å; Y34-S37 PolarHBondContact O-OG 2.89Å; T35-S37 VanDerWaalsContact C-N 3.3Å; T35-S37 PolarHBondContact O-N 2.78Å; S37-F488 WeakPolarHBondContact OG-CA 3.38Å; S37-G489 PolarHBondContact OG-N 2.78Å
38	I	96.7	Very high	96.8	Very high	43 Å²	43	52.6 Å²	52.6	22%	0.221	26%	0.264	C	S	.	.	H	α-helix	trans	-95	-46.1	177.7	-56	-46.1	0	0	0	111.2	Y34 T35 R36 V491	Y34-I38 HydrophobicContact CD1-CG1 4.48Å; Y34-I38 HydrophobicContact CE1-CG1 4.04Å; Y34-I38 HydrophobicContact CE2-CD1 4.35Å; Y34-I38 HydrophobicContact CE2-CG1 4.3Å; Y34-I38 WeakPolarHBondContact O-CG1 3.49Å; Y34-I38 PolarHBondContact O-N 2.71Å; T35-I38 PolarHBondContact O-N 3.45Å; T35-I38 VanDerWaalsContact O-N 3.11Å; R36-I38 PolarHBondContact O-N 2.86Å; I38-V491 HydrophobicContact CD1-CG2 3.47Å; I38-V491 VanDerWaalsContact CD1-CG2 3.47Å; I38-V491 HydrophobicContact CG1-CG2 4.03Å; I38-V491 HydrophobicContact CG2-CG2 4.01Å
39	E	96.4	Very high	96.8	Very high	139 Å²	139	47.6 Å²	47.6	65%	0.65	24%	0.242	S	C	*	.	H	α-helix	trans	-78.6	-31.4	-175.6	-66.5	179.5	173.6	0	0	112.9	T35	T35-E39 HydrophobicContact CG2-CG 4.11Å; T35-E39 WeakPolarHBondContact CG2-OE1 3.32Å; T35-E39 WeakPolarHBondContact CG2-OE2 3.43Å; T35-E39 WeakPolarHBondContact O-CB 3.39Å; T35-E39 PolarHBondContact O-N 3.44Å
40	N	95.8	Very high	96.8	Very high	78 Å²	78	52.2 Å²	52.2	42%	0.417	26%	0.262	S	S	.	.	S	Bend	trans	-134.6	59.6	-177	-60.2	-83.7	0	0	0	111	R36 D42 E43 F44	R36-N40 HydrophobicContact CG-CB 4.42Å; R36-N40 CarbonylContact O-C 3.51Å; R36-N40 VanDerWaalsContact O-C 3.28Å; R36-N40 WeakPolarHBondContact O-CA 3.4Å; R36-N40 PolarHBondContact O-N 3.22Å; N40-D42 VanDerWaalsContact C-N 3.33Å; N40-D42 PolarHBondContact O-N 2.8Å; N40-E43 HydrophobicContact CB-CB 4.27Å; N40-E43 PolarHBondContact O-N 3.21Å; N40-F44 WeakPolarHBondContact O-CB 3.33Å; N40-F44 PolarHBondContact O-N 2.77Å
41	P	93.9	Very high	96.6	Very high	37 Å²	37	56.1 Å²	56.1	24%	0.24	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-39.9	-173	24.1	-33.8	0	0	0	112.6	E43 F44 W45	P41-E43 VanDerWaalsContact C-N 3.32Å; P41-E43 PolarHBondContact O-N 3.3Å; P41-F44 PolarHBondContact O-N 2.87Å; P41-W45 WeakPolarHBondContact O-CB 3.39Å; P41-W45 VanDerWaalsContact O-CD1 3.24Å; P41-W45 PolarHBondContact O-N 3.23Å
42	D	93.1	Very high	96.7	Very high	79 Å²	79	54.5 Å²	54.5	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-41.8	179.2	-69.4	16.3	0	0	0	112	N40 G46 F62	N40-D42 VanDerWaalsContact C-N 3.33Å; N40-D42 PolarHBondContact O-N 2.8Å; D42-G46 WeakPolarHBondContact O-CA 3.27Å; D42-G46 PolarHBondContact O-N 2.79Å; D42-F62 HydrophobicContact CB-CB 4.02Å; D42-F62 WeakPolarHBondContact OD1-CB 3.29Å; D42-F62 PolarHBondContact OD1-N 2.79Å
43	E	94.9	Very high	96.7	Very high	108 Å²	108	52.9 Å²	52.9	51%	0.505	27%	0.268	S	S	.	.	H	α-helix	trans	-72.4	-45.5	178.2	-164.8	-160.7	171.2	0	0	111.1	R36 N40 P41 A47	R36-E43 IonicContact CZ-OE1 3.96Å; R36-E43 IonicContact CZ-OE2 3.47Å; R36-E43 IonicContact NE-OE1 3.98Å; R36-E43 IonicContact NE-OE2 2.68Å; R36-E43 PolarHBondContact NE-OE2 3.4Å; R36-E43 IonicContact NH2-OE1 3.74Å; R36-E43 PolarHBondContact NH2-OE1 3.49Å; R36-E43 IonicContact NH2-OE2 3.14Å; N40-E43 HydrophobicContact CB-CB 4.27Å; N40-E43 PolarHBondContact O-N 3.21Å; P41-E43 VanDerWaalsContact C-N 3.32Å; P41-E43 PolarHBondContact O-N 3.3Å; E43-A47 WeakPolarHBondContact O-CB 3.38Å; E43-A47 PolarHBondContact O-N 3.1Å
44	F	97.3	Very high	96.7	Very high	14 Å²	14	53.6 Å²	53.6	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-56.6	-178.4	179.9	-91.8	0	0	0	111.6	L33 R36 N40 P41 A47 I48 F488	L33-F44 HydrophobicContact CB-CE2 4.2Å; L33-F44 HydrophobicContact CD2-CE2 4.24Å; R36-F44 HydrophobicContact CB-CD2 4.49Å; R36-F44 HydrophobicContact CG-CB 4.49Å; R36-F44 HydrophobicContact CG-CD2 4.41Å; N40-F44 WeakPolarHBondContact O-CB 3.33Å; N40-F44 PolarHBondContact O-N 2.77Å; P41-F44 PolarHBondContact O-N 2.87Å; F44-A47 WeakPolarHBondContact O-CB 3.44Å; F44-A47 PolarHBondContact O-N 2.66Å; F44-I48 HydrophobicContact CD1-CD1 4.13Å; F44-I48 HydrophobicContact CE1-CD1 3.59Å; F44-I48 HydrophobicContact CZ-CD1 4.01Å; F44-I48 PolarHBondContact O-N 2.81Å; F44-F488 HydrophobicContact CE1-CB 3.77Å; F44-F488 HydrophobicContact CE1-CD2 4.31Å; F44-F488 HydrophobicContact CE1-CG 4.28Å; F44-F488 HydrophobicContact CE2-CD2 4.45Å; F44-F488 HydrophobicContact CZ-CB 3.73Å; F44-F488 AromaticContact CZ-CD2 3.56Å; F44-F488 HydrophobicContact CZ-CD2 3.56Å; F44-F488 HydrophobicContact CZ-CE2 4.27Å; F44-F488 AromaticContact CZ-CG 3.71Å; F44-F488 HydrophobicContact CZ-CG 3.71Å
45	W	97.3	Very high	96.6	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-74.6	-31.3	-179.6	-64.7	112.8	0	0	0	112.2	P41 A47 I48 A49 F62 Y330 T333 F487 F488 P517	P41-W45 WeakPolarHBondContact O-CB 3.39Å; P41-W45 VanDerWaalsContact O-CD1 3.24Å; P41-W45 PolarHBondContact O-N 3.23Å; W45-A47 VanDerWaalsContact C-N 3.27Å; W45-A47 PolarHBondContact O-N 2.66Å; W45-I48 HydrophobicContact CE3-CD1 3.68Å; W45-I48 HydrophobicContact CZ3-CD1 3.86Å; W45-I48 PolarHBondContact O-N 2.94Å; W45-A49 WeakPolarHBondContact O-CB 3.47Å; W45-A49 PolarHBondContact O-N 3.04Å; W45-F62 HydrophobicContact CB-CD1 3.74Å; W45-F62 HydrophobicContact CB-CD2 4.35Å; W45-F62 HydrophobicContact CB-CE1 3.19Å; W45-F62 HydrophobicContact CB-CE2 3.84Å; W45-F62 HydrophobicContact CB-CG 4.31Å; W45-F62 HydrophobicContact CB-CZ 3.25Å; W45-F62 HydrophobicContact CG-CD1 4.3Å; W45-F62 AromaticContact CG-CE1 3.81Å; W45-F62 HydrophobicContact CG-CE1 3.81Å; W45-F62 HydrophobicContact CG-CZ 4.28Å; W45-Y330 AromaticContact CH2-CD2 3.67Å; W45-Y330 HydrophobicContact CH2-CD2 3.67Å; W45-Y330 AromaticContact CH2-CE2 3.81Å; W45-Y330 HydrophobicContact CH2-CE2 3.81Å; W45-Y330 HydrophobicContact CZ2-CD2 4.32Å; W45-Y330 HydrophobicContact CZ2-CE2 4.24Å; W45-Y330 HydrophobicContact CZ3-CD2 4.27Å; W45-T333 HydrophobicContact CZ3-CG2 4.14Å; W45-F487 HydrophobicContact CH2-CE1 4.44Å; W45-F488 HydrophobicContact CZ2-CB 4.43Å; W45-F488 WeakPolarHBondContact CZ2-O 3.49Å; W45-P517 HydrophobicContact CD2-CG 3.64Å; W45-P517 HydrophobicContact CE3-CG 3.97Å; W45-P517 HydrophobicContact CG-CG 4.07Å; W45-P517 HydrophobicContact CH2-CG 4.25Å; W45-P517 HydrophobicContact CZ2-CG 3.92Å; W45-P517 HydrophobicContact CZ3-CG 4.26Å
46	G	95.9	Very high	96.6	Very high	16 Å²	16	58.3 Å²	58.3	17%	0.165	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-31.2	172.2	0	0	0	0	0	113	D42 K50	D42-G46 WeakPolarHBondContact O-CA 3.27Å; D42-G46 PolarHBondContact O-N 2.79Å; G46-K50 WeakPolarHBondContact O-CG 3.29Å
47	A	96.8	Very high	96.4	Very high	41 Å²	41	62.8 Å²	62.8	34%	0.339	31%	0.312	S	S	.	.	H	α-helix	trans	-67	-45.5	171.5	0	0	0	0	0	111.5	E43 F44 W45 A49 K50	E43-A47 WeakPolarHBondContact O-CB 3.38Å; E43-A47 PolarHBondContact O-N 3.1Å; F44-A47 WeakPolarHBondContact O-CB 3.44Å; F44-A47 PolarHBondContact O-N 2.66Å; W45-A47 VanDerWaalsContact C-N 3.27Å; W45-A47 PolarHBondContact O-N 2.66Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-A49 PolarHBondContact O-N 2.77Å; A47-K50 WeakPolarHBondContact O-CB 3.44Å; A47-K50 PolarHBondContact O-N 3.04Å
48	I	97.1	Very high	96.1	Very high	28 Å²	28	65.6 Å²	65.6	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-39.9	176.3	-65.2	168.1	0	0	0	110.9	F44 W45 K50 D51 F52 L329 T333	F44-I48 HydrophobicContact CD1-CD1 4.13Å; F44-I48 HydrophobicContact CE1-CD1 3.59Å; F44-I48 HydrophobicContact CZ-CD1 4.01Å; F44-I48 PolarHBondContact O-N 2.81Å; W45-I48 HydrophobicContact CE3-CD1 3.68Å; W45-I48 HydrophobicContact CZ3-CD1 3.86Å; W45-I48 PolarHBondContact O-N 2.94Å; I48-K50 PolarHBondContact O-N 2.95Å; I48-K50 VanDerWaalsContact O-N 3.13Å; I48-D51 WeakPolarHBondContact O-CB 3.36Å; I48-D51 PolarHBondContact O-N 2.68Å; I48-F52 HydrophobicContact CG2-CE2 4.37Å; I48-L329 HydrophobicContact CG2-CD2 4.35Å; I48-T333 HydrophobicContact CD1-CG2 3.87Å; I48-T333 WeakPolarHBondContact CG2-OG1 3.41Å
49	A	97.2	Very high	95.5	Very high	7 Å²	7	68.3 Å²	68.3	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-25.3	-179.5	0	0	0	0	0	113.2	W45 A47 D51 F52 W54 F62 M79 L329	W45-A49 WeakPolarHBondContact O-CB 3.47Å; W45-A49 PolarHBondContact O-N 3.04Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-A49 PolarHBondContact O-N 2.77Å; A49-D51 PolarHBondContact O-N 3.14Å; A49-F52 PolarHBondContact O-N 3.31Å; A49-F52 VanDerWaalsContact O-N 3.13Å; A49-W54 HydrophobicContact CB-CZ2 4.43Å; A49-W54 PolarHBondContact O-NE1 3.11Å; A49-F62 HydrophobicContact CB-CE2 4.38Å; A49-M79 HydrophobicContact CB-CE 4.02Å; A49-M79 HydrophobicContact CB-SD 4.35Å; A49-L329 HydrophobicContact CB-CD1 4.06Å; A49-L329 HydrophobicContact CB-CD2 4.16Å
50	K	96.3	Very high	94.9	Very high	168 Å²	168	64.9 Å²	64.9	73%	0.73	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.2	175	-66.5	167.3	-172.1	173.5	0	112.9	G46 A47 I48 F52	G46-K50 WeakPolarHBondContact O-CG 3.29Å; A47-K50 WeakPolarHBondContact O-CB 3.44Å; A47-K50 PolarHBondContact O-N 3.04Å; I48-K50 PolarHBondContact O-N 2.95Å; I48-K50 VanDerWaalsContact O-N 3.13Å; K50-F52 PolarHBondContact O-N 3.44Å
51	D	95.6	Very high	94.5	Very high	83 Å²	83	64.7 Å²	64.7	44%	0.444	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	10.8	175.4	-67.5	-15.3	0	0	0	112.4	I48 A49 R93	I48-D51 WeakPolarHBondContact O-CB 3.36Å; I48-D51 PolarHBondContact O-N 2.68Å; A49-D51 PolarHBondContact O-N 3.14Å; D51-R93 PolarHBondContact O-NH1 2.91Å; D51-R93 PolarHBondContact O-NH2 3.41Å
52	F	98	Very high	94.5	Very high	20 Å²	20	63 Å²	63	9%	0.088	34%	0.339	C	S	.	.	S	Bend	trans	-133.3	156.9	179	-63.2	-82.5	0	0	0	111.5	I48 A49 K50 W54 N89 L328 L329 A332 A368	I48-F52 HydrophobicContact CG2-CE2 4.37Å; A49-F52 PolarHBondContact O-N 3.31Å; A49-F52 VanDerWaalsContact O-N 3.13Å; K50-F52 PolarHBondContact O-N 3.44Å; F52-W54 HydrophobicContact CB-CZ2 4.35Å; F52-N89 WeakPolarHBondContact CA-OD1 3.33Å; F52-N89 WeakPolarHBondContact CB-OD1 3.24Å; F52-N89 HydrophobicContact CD1-CB 4.29Å; F52-L328 HydrophobicContact CD1-CD1 4.18Å; F52-L328 HydrophobicContact CD1-CD2 4.05Å; F52-L328 HydrophobicContact CD1-CG 4.22Å; F52-L328 HydrophobicContact CE1-CD1 3.93Å; F52-L328 HydrophobicContact CE1-CG 4.3Å; F52-L328 HydrophobicContact CG-CD2 4.44Å; F52-L329 HydrophobicContact CD2-CD2 3.39Å; F52-L329 HydrophobicContact CE2-CD2 3.62Å; F52-L329 HydrophobicContact CG-CD2 4.25Å; F52-A332 HydrophobicContact CE1-CB 4.11Å; F52-A332 HydrophobicContact CE2-CB 4.48Å; F52-A332 HydrophobicContact CZ-CB 3.52Å; F52-A368 HydrophobicContact CE1-CB 4.15Å
53	F	98.1	Very high	94.5	Very high	66 Å²	66	60.5 Å²	60.5	29%	0.289	33%	0.326	S	S	.	.			trans	-80.3	130.3	173.5	-176.5	-90.9	0	0	0	110.6	K55 T84 Y88 N89 W298	F53-K55 HydrophobicContact CE1-CB 4.22Å; F53-T84 PolarHBondContact O-OG1 2.9Å; F53-Y88 HydrophobicContact CB-CD1 3.98Å; F53-Y88 HydrophobicContact CB-CE1 3.72Å; F53-Y88 AromaticContact CD1-CD1 3.84Å; F53-Y88 HydrophobicContact CD1-CD1 3.84Å; F53-Y88 AromaticContact CD1-CE1 3.7Å; F53-Y88 HydrophobicContact CD1-CE1 3.7Å; F53-Y88 HydrophobicContact CD2-CE1 4.05Å; F53-Y88 HydrophobicContact CE1-CE1 4.36Å; F53-Y88 AromaticContact CG-CD1 3.99Å; F53-Y88 HydrophobicContact CG-CD1 3.99Å; F53-Y88 AromaticContact CG-CE1 3.53Å; F53-Y88 HydrophobicContact CG-CE1 3.53Å; F53-N89 PolarHBondContact N-OD1 3.25Å; F53-N89 PolarHBondContact O-ND2 3.48Å; F53-W298 HydrophobicContact CD1-CH2 4Å; F53-W298 AromaticContact CD1-CZ3 3.85Å; F53-W298 HydrophobicContact CD1-CZ3 3.85Å; F53-W298 AromaticContact CE1-CH2 3.41Å; F53-W298 HydrophobicContact CE1-CH2 3.41Å; F53-W298 VanDerWaalsContact CE1-CH2 3.41Å; F53-W298 HydrophobicContact CE1-CZ2 4.38Å; F53-W298 AromaticContact CE1-CZ3 3.51Å; F53-W298 HydrophobicContact CE1-CZ3 3.51Å; F53-W298 HydrophobicContact CZ-CH2 4.3Å
54	W	98.1	Very high	94.6	Very high	37 Å²	37	58.8 Å²	58.8	14%	0.14	32%	0.32	C	S	.	.			trans	-129.6	123.2	176	-59.6	95.2	0	0	0	108	A49 F52 M79 A82 T83 T84 S325 L329	A49-W54 HydrophobicContact CB-CZ2 4.43Å; A49-W54 PolarHBondContact O-NE1 3.11Å; F52-W54 HydrophobicContact CB-CZ2 4.35Å; W54-M79 HydrophobicContact CD2-CE 4.05Å; W54-M79 HydrophobicContact CE3-CE 4.13Å; W54-M79 HydrophobicContact CH2-CE 3.75Å; W54-M79 HydrophobicContact CH2-SD 3.81Å; W54-M79 HydrophobicContact CZ2-CE 3.61Å; W54-M79 HydrophobicContact CZ2-SD 3.91Å; W54-M79 HydrophobicContact CZ3-CE 3.99Å; W54-M79 HydrophobicContact CZ3-SD 4.43Å; W54-A82 HydrophobicContact CE3-CB 3.87Å; W54-A82 HydrophobicContact CZ3-CB 4.04Å; W54-T83 CarbonylContact C-O 3.2Å; W54-T84 HydrophobicContact CE3-CG2 3.96Å; W54-T84 HydrophobicContact CH2-CG2 4.1Å; W54-T84 HydrophobicContact CZ3-CG2 3.45Å; W54-T84 VanDerWaalsContact CZ3-CG2 3.45Å; W54-S325 WeakPolarHBondContact CH2-OG 3.36Å; W54-S325 WeakPolarHBondContact CZ3-OG 3.44Å; W54-L329 HydrophobicContact CZ2-CD1 4.32Å; W54-L329 HydrophobicContact CZ2-CD2 4.1Å; W54-L329 HydrophobicContact CZ2-CG 4.25Å
55	K	97.3	Very high	94.6	Very high	118 Å²	118	62.5 Å²	62.5	51%	0.513	33%	0.334	S	S	.	.	S	Bend	trans	-71.1	-41.9	175	176.7	173.3	-177.2	179.2	0	110.5	F53 T83 W298	F53-K55 HydrophobicContact CE1-CB 4.22Å; K55-T83 WeakPolarHBondContact CB-OG1 3.18Å; K55-T83 PolarHBondContact N-O 3.4Å; K55-W298 HydrophobicContact CB-CD2 4.16Å; K55-W298 HydrophobicContact CB-CE3 3.9Å; K55-W298 HydrophobicContact CB-CZ3 4.3Å; K55-W298 HydrophobicContact CD-CB 3.93Å; K55-W298 HydrophobicContact CD-CD2 3.43Å; K55-W298 VanDerWaalsContact CD-CD2 3.43Å; K55-W298 HydrophobicContact CD-CE3 4.07Å; K55-W298 HydrophobicContact CD-CG 3.33Å; K55-W298 HydrophobicContact CG-CD2 4.42Å
56	T	97.1	Very high	94.6	Very high	61 Å²	61	63.5 Å²	63.5	37%	0.374	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-126.6	143.9	165.9	61.7	0	0	0	0	109.1	G81 A82 T83	T56-G81 PolarHBondContact OG1-O 3.14Å; T56-G81 VanDerWaalsContact OG1-O 3.1Å; T56-A82 WeakPolarHBondContact O-CA 3.44Å; T56-T83 WeakPolarHBondContact CB-OG1 3.22Å; T56-T83 PolarHBondContact N-O 2.96Å; T56-T83 PolarHBondContact N-OG1 3.37Å; T56-T83 PolarHBondContact O-N 2.9Å; T56-T83 WeakPolarHBondContact OG1-CB 3.49Å; T56-T83 WeakPolarHBondContact OG1-CG2 3.47Å; T56-T83 PolarHBondContact OG1-N 2.71Å; T56-T83 PolarHBondContact OG1-OG1 3.37Å
57	K	93.3	Very high	94.7	Very high	174 Å²	174	63 Å²	63	76%	0.757	33%	0.332	S	S	*	.			trans	-78.8	158	174.3	-63.1	-178.8	-179.3	178.3	0	109.7
58	H	91	Very high	94.7	Very high	60 Å²	60	61.8 Å²	61.8	28%	0.278	32%	0.321	S	S	.	.			trans	-61.5	153.3	173.3	65.2	-80	0	0	0	111.4	F62 M79 E80 A82	H58-F62 AromaticContact CE1-CD2 4Å; H58-M79 HydrophobicContact CB-CB 3.78Å; H58-M79 HydrophobicContact CB-CE 4.46Å; H58-M79 HydrophobicContact CB-CG 4.3Å; H58-E80 WeakPolarHBondContact CA-O 3.41Å; H58-A82 HydrophobicContact CB-CB 3.97Å
59	T	85.1	Confident	94.7	Very high	100 Å²	100	62.5 Å²	62.5	61%	0.613	33%	0.326	S	S	*	.			trans	-119.2	129.3	174.6	55.3	0	0	0	0	108.3	E80	T59-E80 PolarHBondContact N-O 3.26Å; T59-E80 PolarHBondContact OG1-O 2.79Å
60	G	84.3	Confident	94.7	Very high	66 Å²	66	67.3 Å²	67.3	68%	0.68	36%	0.355	S	S	*	.	S	Bend	trans	88.9	-151.8	-179.4	0	0	0	0	0	113.4
61	C	87.9	Confident	94.8	Very high	75 Å²	75	67 Å²	67	51%	0.507	35%	0.354	S	S	.	.			trans	-65	146	-176.4	-58.8	0	0	0	0	111.6	D64	C61-D64 HydrophobicContact CB-CB 4.49Å
62	F	92.5	Very high	94.8	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-68.1	-39.5	175.5	-166.5	-83.2	0	0	0	111.7	D42 W45 A49 H58 C78 M79 L329 P517	D42-F62 HydrophobicContact CB-CB 4.02Å; D42-F62 WeakPolarHBondContact OD1-CB 3.29Å; D42-F62 PolarHBondContact OD1-N 2.79Å; W45-F62 HydrophobicContact CB-CD1 3.74Å; W45-F62 HydrophobicContact CB-CD2 4.35Å; W45-F62 HydrophobicContact CB-CE1 3.19Å; W45-F62 HydrophobicContact CB-CE2 3.84Å; W45-F62 HydrophobicContact CB-CG 4.31Å; W45-F62 HydrophobicContact CB-CZ 3.25Å; W45-F62 HydrophobicContact CG-CD1 4.3Å; W45-F62 AromaticContact CG-CE1 3.81Å; W45-F62 HydrophobicContact CG-CE1 3.81Å; W45-F62 HydrophobicContact CG-CZ 4.28Å; A49-F62 HydrophobicContact CB-CE2 4.38Å; H58-F62 AromaticContact CE1-CD2 4Å; F62-C78 CarbonylContact O-C 3.57Å; F62-C78 VanDerWaalsContact O-CA 3.27Å; F62-C78 WeakPolarHBondContact O-CA 3.43Å; F62-M79 HydrophobicContact CD1-CG 4.47Å; F62-M79 HydrophobicContact CD2-CG 3.92Å; F62-M79 HydrophobicContact CE1-CG 4.06Å; F62-M79 HydrophobicContact CE2-CE 4.29Å; F62-M79 HydrophobicContact CE2-CG 3.49Å; F62-M79 VanDerWaalsContact CE2-CG 3.49Å; F62-M79 HydrophobicContact CE2-SD 3.66Å; F62-M79 HydrophobicContact CG-CG 4.38Å; F62-M79 HydrophobicContact CZ-CG 3.54Å; F62-M79 HydrophobicContact CZ-SD 3.57Å; F62-M79 VanDerWaalsContact CZ-SD 3.57Å; F62-M79 PolarHBondContact O-N 2.67Å; F62-L329 HydrophobicContact CZ-CD1 3.7Å; F62-P517 HydrophobicContact CE1-CG 4.33Å
63	L	94.4	Very high	94.7	Very high	28 Å²	28	70.4 Å²	70.4	15%	0.147	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.1	171.8	-78.6	164.1	0	0	0	109.3	K77 C78 P517	L63-K77 CarbonylContact C-O 3.56Å; L63-K77 WeakPolarHBondContact CA-O 3.48Å; L63-C78 HydrophobicContact CD2-CB 3.68Å; L63-P517 HydrophobicContact CD1-CG 4.46Å
64	D	95.7	Very high	94.7	Very high	71 Å²	71	67.3 Å²	67.3	38%	0.38	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.4	174.3	-175.4	23.4	0	0	0	109.3	C61 F75 V76 K77	C61-D64 HydrophobicContact CB-CB 4.49Å; D64-F75 HydrophobicContact CB-CE2 4.46Å; D64-V76 CarbonylContact O-C 3.5Å; D64-V76 WeakPolarHBondContact O-CA 3.47Å; D64-K77 PolarHBondContact N-O 3.47Å; D64-K77 PolarHBondContact O-N 2.99Å
65	Y	97.1	Very high	94.7	Very high	92 Å²	92	68.9 Å²	68.9	36%	0.361	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	160.3	-170.6	73.2	-80.9	0	0	0	114.9	F67 F75 Q514 P515	Y65-F67 HydrophobicContact CD2-CB 4.3Å; Y65-F67 AromaticContact CD2-CD1 3.7Å; Y65-F67 HydrophobicContact CD2-CD1 3.7Å; Y65-F67 HydrophobicContact CD2-CD2 4.42Å; Y65-F67 HydrophobicContact CD2-CE1 4.18Å; Y65-F67 AromaticContact CD2-CG 3.86Å; Y65-F67 HydrophobicContact CD2-CG 3.86Å; Y65-F67 HydrophobicContact CE2-CB 4.34Å; Y65-F67 HydrophobicContact CE2-CD1 4.34Å; Y65-F67 HydrophobicContact CE2-CD2 4.28Å; Y65-F67 HydrophobicContact CE2-CG 4.04Å; Y65-F75 CarbonylContact C-O 3.58Å; Y65-F75 WeakPolarHBondContact CA-O 3.49Å; Y65-F75 VanDerWaalsContact CB-O 3.29Å; Y65-F75 WeakPolarHBondContact CB-O 3.23Å; Y65-Q514 WeakPolarHBondContact OH-CB 3.5Å; Y65-P515 HydrophobicContact CD1-CG 3.39Å; Y65-P515 VanDerWaalsContact CD2-CD 3.44Å; Y65-P515 HydrophobicContact CD2-CG 3.89Å; Y65-P515 VanDerWaalsContact CE1-CD 3.44Å; Y65-P515 HydrophobicContact CE1-CG 3.82Å; Y65-P515 HydrophobicContact CE2-CG 4.26Å; Y65-P515 HydrophobicContact CG-CG 3.43Å; Y65-P515 VanDerWaalsContact CG-CG 3.43Å
66	N	97.9	Very high	94.7	Very high	22 Å²	22	63.6 Å²	63.6	12%	0.118	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.9	160.5	176.8	33	0	0	0	109.4	D68 G72 E73 I74 F75	N66-D68 PolarHBondContact ND2-O 2.71Å; N66-D68 PolarHBondContact OD1-N 2.79Å; N66-D68 PolarHBondContact OD1-O 2.73Å; N66-G72 PolarHBondContact ND2-O 3.1Å; N66-G72 VanDerWaalsContact ND2-O 3.1Å; N66-E73 PolarHBondContact ND2-O 3.48Å; N66-I74 WeakPolarHBondContact O-CA 3.44Å; N66-I74 WeakPolarHBondContact O-CD1 3.31Å; N66-I74 WeakPolarHBondContact O-CG2 3.4Å; N66-F75 HydrophobicContact CB-CD1 3.86Å; N66-F75 HydrophobicContact CB-CE1 3.64Å; N66-F75 HydrophobicContact CB-CZ 4.4Å; N66-F75 PolarHBondContact N-O 3.38Å; N66-F75 PolarHBondContact O-N 3.42Å
67	F	97.6	Very high	94.7	Very high	5 Å²	5	64 Å²	64	2%	0.022	35%	0.346	C	S	.	.			trans	-104	0.1	173.7	-84	8.2	0	0	0	112.8	Y65 I74 V76 P515 F535 G540	Y65-F67 HydrophobicContact CD2-CB 4.3Å; Y65-F67 AromaticContact CD2-CD1 3.7Å; Y65-F67 HydrophobicContact CD2-CD1 3.7Å; Y65-F67 HydrophobicContact CD2-CD2 4.42Å; Y65-F67 HydrophobicContact CD2-CE1 4.18Å; Y65-F67 AromaticContact CD2-CG 3.86Å; Y65-F67 HydrophobicContact CD2-CG 3.86Å; Y65-F67 HydrophobicContact CE2-CB 4.34Å; Y65-F67 HydrophobicContact CE2-CD1 4.34Å; Y65-F67 HydrophobicContact CE2-CD2 4.28Å; Y65-F67 HydrophobicContact CE2-CG 4.04Å; F67-I74 VanDerWaalsContact C-CD1 3.41Å; F67-V76 HydrophobicContact CD1-CG2 4.4Å; F67-V76 HydrophobicContact CE1-CG2 3.6Å; F67-V76 HydrophobicContact CZ-CG2 4.5Å; F67-P515 HydrophobicContact CE1-CB 4.05Å; F67-P515 HydrophobicContact CE1-CG 4.44Å; F67-P515 HydrophobicContact CE2-CB 4.46Å; F67-P515 HydrophobicContact CZ-CB 3.64Å; F67-P515 HydrophobicContact CZ-CG 4.23Å; F67-F535 HydrophobicContact CB-CD1 4.17Å; F67-F535 HydrophobicContact CB-CE1 4.24Å; F67-F535 HydrophobicContact CD1-CD1 4.15Å; F67-F535 AromaticContact CD1-CE1 3.41Å; F67-F535 HydrophobicContact CD1-CE1 3.41Å; F67-F535 VanDerWaalsContact CD1-CE1 3.41Å; F67-F535 HydrophobicContact CD1-CZ 4.13Å; F67-F535 HydrophobicContact CD2-CE1 4.16Å; F67-F535 AromaticContact CE1-CE1 3.61Å; F67-F535 HydrophobicContact CE1-CE1 3.61Å; F67-F535 HydrophobicContact CE1-CZ 4Å; F67-F535 HydrophobicContact CE2-CE1 4.34Å; F67-F535 HydrophobicContact CG-CD1 4.13Å; F67-F535 AromaticContact CG-CE1 3.69Å; F67-F535 HydrophobicContact CG-CE1 3.69Å; F67-F535 HydrophobicContact CZ-CE1 4.07Å; F67-G540 WeakPolarHBondContact O-CA 3.4Å; F67-G540 PolarHBondContact O-N 3.25Å
68	D	97.8	Very high	94.9	Very high	17 Å²	17	55.7 Å²	55.7	9%	0.091	31%	0.31	C	S	.	.			trans	-109.7	101.8	-174	-169.2	-18.6	0	0	0	110	N66 T70 K71 P539	N66-D68 PolarHBondContact ND2-O 2.71Å; N66-D68 PolarHBondContact OD1-N 2.79Å; N66-D68 PolarHBondContact OD1-O 2.73Å; D68-T70 PolarHBondContact O-N 3.18Å; D68-T70 WeakPolarHBondContact OD1-CB 3.21Å; D68-T70 PolarHBondContact OD1-N 2.89Å; D68-T70 PolarHBondContact OD1-OG1 2.82Å; D68-K71 HydrophobicContact CB-CB 4.17Å; D68-K71 HydrophobicContact CB-CD 3.95Å; D68-K71 HydrophobicContact CB-CG 4.09Å; D68-K71 PolarHBondContact O-N 3.49Å; D68-K71 WeakPolarHBondContact OD2-CD 3.43Å; D68-K71 WeakPolarHBondContact OD2-CE 3.39Å; D68-K71 IonicContact OD2-NZ 2.94Å; D68-K71 PolarHBondContact OD2-NZ 3.36Å; D68-P539 WeakPolarHBondContact OD1-CB 3.49Å
69	V	96.8	Very high	95.1	Very high	43 Å²	43	52.9 Å²	52.9	26%	0.261	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.4	178.2	-66.7	0	0	0	0	112.4	I74 E531 F535 P539	V69-I74 HydrophobicContact CB-CD1 4.35Å; V69-I74 HydrophobicContact CG1-CD1 3.63Å; V69-I74 HydrophobicContact CG1-CG1 3.62Å; V69-E531 HydrophobicContact CG1-CB 4.32Å; V69-F535 HydrophobicContact CG1-CB 3.78Å; V69-P539 HydrophobicContact CG2-CB 4.13Å; V69-P539 HydrophobicContact CG2-CG 4.03Å
70	T	97	Very high	95.6	Very high	108 Å²	108	52.1 Å²	52.1	66%	0.663	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.5	177	75.8	0	0	0	0	113.1	D68 P539	D68-T70 PolarHBondContact O-N 3.18Å; D68-T70 WeakPolarHBondContact OD1-CB 3.21Å; D68-T70 PolarHBondContact OD1-N 2.89Å; D68-T70 PolarHBondContact OD1-OG1 2.82Å; T70-P539 HydrophobicContact CG2-CB 4.1Å; T70-P539 HydrophobicContact CG2-CG 4.2Å
71	K	97.3	Very high	96.1	Very high	162 Å²	162	50.3 Å²	50.3	70%	0.704	27%	0.268	S	S	*	.	S	Bend	trans	-106.6	0.8	-178.4	-66.4	179.9	-175.5	141.4	0	114	D68	D68-K71 HydrophobicContact CB-CB 4.17Å; D68-K71 HydrophobicContact CB-CD 3.95Å; D68-K71 HydrophobicContact CB-CG 4.09Å; D68-K71 PolarHBondContact O-N 3.49Å; D68-K71 WeakPolarHBondContact OD2-CD 3.43Å; D68-K71 WeakPolarHBondContact OD2-CE 3.39Å; D68-K71 IonicContact OD2-NZ 2.94Å; D68-K71 PolarHBondContact OD2-NZ 3.36Å
72	G	96.3	Very high	96.6	Very high	41 Å²	41	46.7 Å²	46.7	42%	0.423	24%	0.244	S	C	.	.	S	Bend	trans	140.7	-172.7	179.6	0	0	0	0	0	111.9	N66	N66-G72 PolarHBondContact ND2-O 3.1Å; N66-G72 VanDerWaalsContact ND2-O 3.1Å
73	E	96.6	Very high	96.9	Very high	133 Å²	133	47.2 Å²	47.2	62%	0.621	25%	0.247	S	C	*	.	S	Bend	trans	-58.9	142	173.3	-173.2	176.3	-168	0	0	110.3	N66 H527 E531	N66-E73 PolarHBondContact ND2-O 3.48Å; E73-H527 IonicContact OE1-CD2 3.92Å; E73-H527 IonicContact OE1-NE2 2.74Å; E73-E531 WeakPolarHBondContact CA-OE1 3.34Å
74	I	98.3	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.			trans	-76.1	126.8	174.9	-59.4	-56.4	0	0	0	109	N66 F67 V69 H527 F530 E531 F535	N66-I74 WeakPolarHBondContact O-CA 3.44Å; N66-I74 WeakPolarHBondContact O-CD1 3.31Å; N66-I74 WeakPolarHBondContact O-CG2 3.4Å; F67-I74 VanDerWaalsContact C-CD1 3.41Å; V69-I74 HydrophobicContact CB-CD1 4.35Å; V69-I74 HydrophobicContact CG1-CD1 3.63Å; V69-I74 HydrophobicContact CG1-CG1 3.62Å; I74-H527 PolarHBondContact O-CE1 2.69Å; I74-H527 PolarHBondContact O-NE2 2.62Å; I74-F530 HydrophobicContact CB-CE1 4.24Å; I74-F530 HydrophobicContact CG2-CD1 4.31Å; I74-F530 HydrophobicContact CG2-CE1 3.52Å; I74-F530 HydrophobicContact CG2-CZ 4.25Å; I74-E531 HydrophobicContact CB-CG 3.94Å; I74-E531 HydrophobicContact CG1-CB 4.31Å; I74-E531 HydrophobicContact CG1-CG 3.76Å; I74-E531 PolarHBondContact N-OE1 2.97Å; I74-F535 HydrophobicContact CB-CD2 4.39Å; I74-F535 HydrophobicContact CD1-CB 4.06Å; I74-F535 HydrophobicContact CD1-CD1 4.46Å; I74-F535 HydrophobicContact CD1-CG 4.15Å; I74-F535 HydrophobicContact CG1-CB 4.04Å; I74-F535 HydrophobicContact CG1-CD2 4.1Å; I74-F535 HydrophobicContact CG1-CG 4.02Å; I74-F535 HydrophobicContact CG2-CD1 4.23Å; I74-F535 HydrophobicContact CG2-CD2 3.67Å; I74-F535 HydrophobicContact CG2-CE1 4.12Å; I74-F535 HydrophobicContact CG2-CE2 3.56Å; I74-F535 HydrophobicContact CG2-CG 4Å; I74-F535 HydrophobicContact CG2-CZ 3.77Å
75	F	97.7	Very high	97.2	Very high	70 Å²	70	42.6 Å²	42.6	31%	0.307	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.4	172.3	69.6	-87.8	0	0	0	110.6	D64 Y65 N66 K77	D64-F75 HydrophobicContact CB-CE2 4.46Å; Y65-F75 CarbonylContact C-O 3.58Å; Y65-F75 WeakPolarHBondContact CA-O 3.49Å; Y65-F75 VanDerWaalsContact CB-O 3.29Å; Y65-F75 WeakPolarHBondContact CB-O 3.23Å; N66-F75 HydrophobicContact CB-CD1 3.86Å; N66-F75 HydrophobicContact CB-CE1 3.64Å; N66-F75 HydrophobicContact CB-CZ 4.4Å; N66-F75 PolarHBondContact N-O 3.38Å; N66-F75 PolarHBondContact O-N 3.42Å; F75-K77 HydrophobicContact CD2-CG 4.24Å
76	V	97.5	Very high	97.3	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.9	168.2	-175.4	0	0	0	0	107.5	D64 F67 P515 V519 R521	D64-V76 CarbonylContact O-C 3.5Å; D64-V76 WeakPolarHBondContact O-CA 3.47Å; F67-V76 HydrophobicContact CD1-CG2 4.4Å; F67-V76 HydrophobicContact CE1-CG2 3.6Å; F67-V76 HydrophobicContact CZ-CG2 4.5Å; V76-P515 HydrophobicContact CG1-CB 3.83Å; V76-P515 HydrophobicContact CG1-CG 4.28Å; V76-P515 HydrophobicContact CG2-CB 4.28Å; V76-V519 HydrophobicContact CB-CG1 4.34Å; V76-V519 HydrophobicContact CG1-CG1 3.8Å; V76-V519 HydrophobicContact CG2-CG1 4.25Å; V76-R521 VanDerWaalsContact O-CD 3.23Å; V76-R521 WeakPolarHBondContact O-CD 3.22Å; V76-R521 PolarHBondContact O-NE 2.68Å
77	K	96.8	Very high	97.3	Very high	68 Å²	68	37.2 Å²	37.2	30%	0.296	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.8	172.3	-59.2	-177.6	-173.7	-180	0	108.9	L63 D64 F75 E80 E302	L63-K77 CarbonylContact C-O 3.56Å; L63-K77 WeakPolarHBondContact CA-O 3.48Å; D64-K77 PolarHBondContact N-O 3.47Å; D64-K77 PolarHBondContact O-N 2.99Å; F75-K77 HydrophobicContact CD2-CG 4.24Å; K77-E80 VanDerWaalsContact CD-CD 3.47Å; K77-E80 HydrophobicContact CD-CG 4.48Å; K77-E80 WeakPolarHBondContact CD-OE2 3.46Å; K77-E80 VanDerWaalsContact NZ-CD 3.31Å; K77-E80 IonicContact NZ-OE1 3.97Å; K77-E80 PolarHBondContact NZ-OE1 3.36Å; K77-E80 IonicContact NZ-OE2 3.34Å; K77-E80 PolarHBondContact NZ-OE2 3.07Å; K77-E80 VanDerWaalsContact NZ-OE2 3.11Å; K77-E302 HydrophobicContact CB-CG 4.35Å; K77-E302 HydrophobicContact CG-CG 4.5Å
78	C	96.9	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.2	176.7	-173.3	0	0	0	0	107.7	F62 L63 E80 S301 E302	F62-C78 CarbonylContact O-C 3.57Å; F62-C78 VanDerWaalsContact O-CA 3.27Å; F62-C78 WeakPolarHBondContact O-CA 3.43Å; L63-C78 HydrophobicContact CD2-CB 3.68Å; C78-E80 VanDerWaalsContact C-N 3.3Å; C78-E80 PolarHBondContact O-N 2.98Å; C78-S301 PolarHBondContact O-OG 3.47Å; C78-E302 WeakPolarHBondContact CA-OE1 3.37Å; C78-E302 PolarHBondContact N-OE1 3.23Å
79	M	96.5	Very high	97.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	54.4	41.7	175.9	-65.3	-176.6	74.2	0	0	113.8	A49 W54 H58 F62 G81 A82 S301 L329	A49-M79 HydrophobicContact CB-CE 4.02Å; A49-M79 HydrophobicContact CB-SD 4.35Å; W54-M79 HydrophobicContact CD2-CE 4.05Å; W54-M79 HydrophobicContact CE3-CE 4.13Å; W54-M79 HydrophobicContact CH2-CE 3.75Å; W54-M79 HydrophobicContact CH2-SD 3.81Å; W54-M79 HydrophobicContact CZ2-CE 3.61Å; W54-M79 HydrophobicContact CZ2-SD 3.91Å; W54-M79 HydrophobicContact CZ3-CE 3.99Å; W54-M79 HydrophobicContact CZ3-SD 4.43Å; H58-M79 HydrophobicContact CB-CB 3.78Å; H58-M79 HydrophobicContact CB-CE 4.46Å; H58-M79 HydrophobicContact CB-CG 4.3Å; F62-M79 HydrophobicContact CD1-CG 4.47Å; F62-M79 HydrophobicContact CD2-CG 3.92Å; F62-M79 HydrophobicContact CE1-CG 4.06Å; F62-M79 HydrophobicContact CE2-CE 4.29Å; F62-M79 HydrophobicContact CE2-CG 3.49Å; F62-M79 VanDerWaalsContact CE2-CG 3.49Å; F62-M79 HydrophobicContact CE2-SD 3.66Å; F62-M79 HydrophobicContact CG-CG 4.38Å; F62-M79 HydrophobicContact CZ-CG 3.54Å; F62-M79 HydrophobicContact CZ-SD 3.57Å; F62-M79 VanDerWaalsContact CZ-SD 3.57Å; F62-M79 PolarHBondContact O-N 2.67Å; M79-G81 PolarHBondContact O-N 2.67Å; M79-A82 HydrophobicContact CB-CB 4.12Å; M79-A82 HydrophobicContact CE-CB 4.27Å; M79-A82 WeakPolarHBondContact O-CB 3.46Å; M79-A82 PolarHBondContact O-N 3.14Å; M79-S301 WeakPolarHBondContact O-CB 3.48Å; M79-S301 PolarHBondContact O-OG 2.92Å; M79-L329 HydrophobicContact SD-CD1 3.35Å; M79-L329 WeakPolarHBondContact SD-CD1 3.42Å; M79-L329 HydrophobicContact SD-CG 4.49Å
80	E	95.1	Very high	97.5	Very high	84 Å²	84	36.1 Å²	36.1	39%	0.393	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	138.8	178.5	-172.8	166.4	-148.7	0	0	111.4	H58 T59 K77 C78 A82	H58-E80 WeakPolarHBondContact CA-O 3.41Å; T59-E80 PolarHBondContact N-O 3.26Å; T59-E80 PolarHBondContact OG1-O 2.79Å; K77-E80 VanDerWaalsContact CD-CD 3.47Å; K77-E80 HydrophobicContact CD-CG 4.48Å; K77-E80 WeakPolarHBondContact CD-OE2 3.46Å; K77-E80 VanDerWaalsContact NZ-CD 3.31Å; K77-E80 IonicContact NZ-OE1 3.97Å; K77-E80 PolarHBondContact NZ-OE1 3.36Å; K77-E80 IonicContact NZ-OE2 3.34Å; K77-E80 PolarHBondContact NZ-OE2 3.07Å; K77-E80 VanDerWaalsContact NZ-OE2 3.11Å; C78-E80 VanDerWaalsContact C-N 3.3Å; C78-E80 PolarHBondContact O-N 2.98Å; E80-A82 VanDerWaalsContact C-N 3.27Å; E80-A82 PolarHBondContact O-N 3.23Å
81	G	95.1	Very high	97.6	Very high	27 Å²	27	31 Å²	31	28%	0.278	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-7.6	-174.3	0	0	0	0	0	115.8	T56 M79	T56-G81 PolarHBondContact OG1-O 3.14Å; T56-G81 VanDerWaalsContact OG1-O 3.1Å; M79-G81 PolarHBondContact O-N 2.67Å
82	A	97.5	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.			trans	-74.6	143	169.9	0	0	0	0	0	110.7	W54 T56 H58 M79 E80 E300 S301	W54-A82 HydrophobicContact CE3-CB 3.87Å; W54-A82 HydrophobicContact CZ3-CB 4.04Å; T56-A82 WeakPolarHBondContact O-CA 3.44Å; H58-A82 HydrophobicContact CB-CB 3.97Å; M79-A82 HydrophobicContact CB-CB 4.12Å; M79-A82 HydrophobicContact CE-CB 4.27Å; M79-A82 WeakPolarHBondContact O-CB 3.46Å; M79-A82 PolarHBondContact O-N 3.14Å; E80-A82 VanDerWaalsContact C-N 3.27Å; E80-A82 PolarHBondContact O-N 3.23Å; A82-E300 CarbonylContact O-C 3.43Å; A82-S301 WeakPolarHBondContact O-CB 3.42Å; A82-S301 PolarHBondContact O-N 3.42Å
83	T	98.3	Very high	97.7	Very high	11 Å²	11	23.8 Å²	23.8	7%	0.067	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.2	170.4	58.2	0	0	0	0	111.2	W54 K55 T56 C299 E300	W54-T83 CarbonylContact C-O 3.2Å; K55-T83 WeakPolarHBondContact CB-OG1 3.18Å; K55-T83 PolarHBondContact N-O 3.4Å; T56-T83 WeakPolarHBondContact CB-OG1 3.22Å; T56-T83 PolarHBondContact N-O 2.96Å; T56-T83 PolarHBondContact N-OG1 3.37Å; T56-T83 PolarHBondContact O-N 2.9Å; T56-T83 WeakPolarHBondContact OG1-CB 3.49Å; T56-T83 WeakPolarHBondContact OG1-CG2 3.47Å; T56-T83 PolarHBondContact OG1-N 2.71Å; T56-T83 PolarHBondContact OG1-OG1 3.37Å; T83-C299 CarbonylContact C-O 3.54Å; T83-C299 WeakPolarHBondContact CA-O 3.42Å; T83-E300 HydrophobicContact CG2-CG 4.46Å; T83-E300 WeakPolarHBondContact CG2-OE1 3.45Å; T83-E300 WeakPolarHBondContact CG2-OE2 3.23Å
84	T	98.6	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	176.7	176.1	-166.3	0	0	0	0	110.7	F53 W54 N89 C299 V324	F53-T84 PolarHBondContact O-OG1 2.9Å; W54-T84 HydrophobicContact CE3-CG2 3.96Å; W54-T84 HydrophobicContact CH2-CG2 4.1Å; W54-T84 HydrophobicContact CZ3-CG2 3.45Å; W54-T84 VanDerWaalsContact CZ3-CG2 3.45Å; T84-N89 PolarHBondContact OG1-ND2 3.22Å; T84-C299 PolarHBondContact N-O 3.2Å; T84-C299 PolarHBondContact O-N 3Å; T84-C299 VanDerWaalsContact O-O 3.1Å; T84-V324 HydrophobicContact CG2-CG1 3.66Å
85	N	98.8	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.089	C	C	.	.			trans	-128.8	125.3	163	-176	-80.2	0	0	0	108.1	C87 Y88 N89 A164 R165 P296 E297 W298	N85-C87 WeakPolarHBondContact OD1-CA 3.3Å; N85-C87 WeakPolarHBondContact OD1-CB 3.29Å; N85-C87 PolarHBondContact OD1-N 3.31Å; N85-Y88 PolarHBondContact O-N 2.91Å; N85-Y88 PolarHBondContact OD1-N 3.43Å; N85-N89 PolarHBondContact O-N 3.41Å; N85-N89 PolarHBondContact O-ND2 3.13Å; N85-A164 PolarHBondContact ND2-O 3.24Å; N85-A164 VanDerWaalsContact ND2-O 3.15Å; N85-R165 PolarHBondContact ND2-O 3.01Å; N85-P296 HydrophobicContact CB-CB 3.98Å; N85-E297 PolarHBondContact ND2-O 3.24Å; N85-W298 HydrophobicContact CB-CE3 4.1Å; N85-W298 HydrophobicContact CB-CZ3 4.11Å
86	I	98.5	Very high	97.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-41.6	-177.4	-163.1	165.1	0	0	0	110.7	Y88 N89 L90 A164 L305 V324 Y327 L328 Y364	I86-Y88 VanDerWaalsContact C-N 3.32Å; I86-Y88 PolarHBondContact O-N 3.12Å; I86-N89 PolarHBondContact O-N 2.94Å; I86-N89 VanDerWaalsContact O-N 3.14Å; I86-L90 HydrophobicContact CG1-CD1 3.89Å; I86-L90 WeakPolarHBondContact O-CD1 3.35Å; I86-L90 PolarHBondContact O-N 2.97Å; I86-A164 HydrophobicContact CG2-CB 3.64Å; I86-L305 HydrophobicContact CD1-CD2 3.74Å; I86-L305 HydrophobicContact CG2-CD1 3.71Å; I86-V324 HydrophobicContact CB-CG1 4.34Å; I86-Y327 HydrophobicContact CD1-CD1 4.37Å; I86-L328 HydrophobicContact CD1-CB 3.75Å; I86-L328 HydrophobicContact CD1-CD1 4.32Å; I86-L328 HydrophobicContact CD1-CG 4.5Å; I86-L328 HydrophobicContact CG1-CB 4.02Å; I86-L328 HydrophobicContact CG1-CD1 3.96Å; I86-L328 HydrophobicContact CG1-CD2 4.27Å; I86-L328 HydrophobicContact CG1-CG 4.28Å; I86-Y364 HydrophobicContact CD1-CD1 3.48Å; I86-Y364 VanDerWaalsContact CD1-CD1 3.48Å; I86-Y364 HydrophobicContact CD1-CE1 3.63Å; I86-Y364 HydrophobicContact CD1-CG 4.28Å; I86-Y364 HydrophobicContact CG1-CD1 3.93Å; I86-Y364 HydrophobicContact CG1-CE1 4.02Å; I86-Y364 HydrophobicContact CG2-CE1 3.95Å
87	C	98.8	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-41	177.9	-176.5	0	0	0	0	111.7	N85 N89 L90 L91 R165	N85-C87 WeakPolarHBondContact OD1-CA 3.3Å; N85-C87 WeakPolarHBondContact OD1-CB 3.29Å; N85-C87 PolarHBondContact OD1-N 3.31Å; C87-N89 VanDerWaalsContact C-N 3.34Å; C87-N89 PolarHBondContact O-N 3.49Å; C87-L90 PolarHBondContact O-N 2.72Å; C87-L90 VanDerWaalsContact O-N 3.14Å; C87-L91 PolarHBondContact O-N 3.3Å; C87-R165 HydrophobicContact CB-CB 3.82Å; C87-R165 HydrophobicContact CB-CG 4.3Å
88	Y	98.8	Very high	97.8	Very high	41 Å²	41	24.9 Å²	24.9	16%	0.161	12%	0.118	C	C	.	.	H	α-helix	trans	-57	-46.4	174.3	-178.8	-84.1	0	0	0	112	F53 N85 I86 L90 L91 D92 R93 E97 P296 W298	F53-Y88 HydrophobicContact CB-CD1 3.98Å; F53-Y88 HydrophobicContact CB-CE1 3.72Å; F53-Y88 AromaticContact CD1-CD1 3.84Å; F53-Y88 HydrophobicContact CD1-CD1 3.84Å; F53-Y88 AromaticContact CD1-CE1 3.7Å; F53-Y88 HydrophobicContact CD1-CE1 3.7Å; F53-Y88 HydrophobicContact CD2-CE1 4.05Å; F53-Y88 HydrophobicContact CE1-CE1 4.36Å; F53-Y88 AromaticContact CG-CD1 3.99Å; F53-Y88 HydrophobicContact CG-CD1 3.99Å; F53-Y88 AromaticContact CG-CE1 3.53Å; F53-Y88 HydrophobicContact CG-CE1 3.53Å; N85-Y88 PolarHBondContact O-N 2.91Å; N85-Y88 PolarHBondContact OD1-N 3.43Å; I86-Y88 VanDerWaalsContact C-N 3.32Å; I86-Y88 PolarHBondContact O-N 3.12Å; Y88-L90 VanDerWaalsContact C-N 3.27Å; Y88-L90 PolarHBondContact O-N 3.04Å; Y88-L91 PolarHBondContact O-N 2.97Å; Y88-D92 WeakPolarHBondContact CA-OD2 3.41Å; Y88-D92 HydrophobicContact CD2-CB 3.41Å; Y88-D92 VanDerWaalsContact CD2-CB 3.41Å; Y88-D92 HydrophobicContact CE2-CB 3.57Å; Y88-D92 HydrophobicContact CG-CB 3.97Å; Y88-D92 PolarHBondContact O-N 2.98Å; Y88-R93 HydrophobicContact CD1-CB 4.34Å; Y88-R93 HydrophobicContact CE1-CB 4.05Å; Y88-R93 WeakPolarHBondContact O-CB 3.38Å; Y88-R93 PolarHBondContact O-N 3.02Å; Y88-E97 PolarHBondContact OH-OE1 3.06Å; Y88-P296 HydrophobicContact CD2-CG 4.1Å; Y88-W298 HydrophobicContact CD2-CH2 4.18Å; Y88-W298 HydrophobicContact CE2-CH2 4.49Å; Y88-W298 HydrophobicContact CG-CH2 4.22Å
89	N	98.8	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-32.2	177.9	-88.7	-71.5	0	0	0	113.3	F52 F53 T84 N85 I86 C87 L328	F52-N89 WeakPolarHBondContact CA-OD1 3.33Å; F52-N89 WeakPolarHBondContact CB-OD1 3.24Å; F52-N89 HydrophobicContact CD1-CB 4.29Å; F53-N89 PolarHBondContact N-OD1 3.25Å; F53-N89 PolarHBondContact O-ND2 3.48Å; T84-N89 PolarHBondContact OG1-ND2 3.22Å; N85-N89 PolarHBondContact O-N 3.41Å; N85-N89 PolarHBondContact O-ND2 3.13Å; I86-N89 PolarHBondContact O-N 2.94Å; I86-N89 VanDerWaalsContact O-N 3.14Å; C87-N89 VanDerWaalsContact C-N 3.34Å; C87-N89 PolarHBondContact O-N 3.49Å; N89-L328 HydrophobicContact CB-CD2 4.03Å
90	L	98.8	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-83.2	-29.7	-178.2	-90.3	60.6	0	0	0	113.8	I86 C87 Y88 N94 L161 L328 Y364 L367 A368	I86-L90 HydrophobicContact CG1-CD1 3.89Å; I86-L90 WeakPolarHBondContact O-CD1 3.35Å; I86-L90 PolarHBondContact O-N 2.97Å; C87-L90 PolarHBondContact O-N 2.72Å; C87-L90 VanDerWaalsContact O-N 3.14Å; Y88-L90 VanDerWaalsContact C-N 3.27Å; Y88-L90 PolarHBondContact O-N 3.04Å; L90-N94 PolarHBondContact O-ND2 3.31Å; L90-L161 HydrophobicContact CD2-CD2 3.66Å; L90-L328 HydrophobicContact CD1-CD1 3.82Å; L90-Y364 HydrophobicContact CD2-CD1 3.64Å; L90-Y364 HydrophobicContact CD2-CE1 4.24Å; L90-L367 HydrophobicContact CB-CB 4.08Å; L90-L367 HydrophobicContact CD2-CB 3.93Å; L90-L367 HydrophobicContact CD2-CD1 4.25Å; L90-L367 HydrophobicContact CG-CB 3.74Å; L90-A368 HydrophobicContact CD1-CB 3.86Å; L90-A368 HydrophobicContact CG-CB 4.46Å
91	L	98.8	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-71.1	-171.6	-59.9	-179.5	0	0	0	111.5	C87 Y88 R93 N94 V95 Y121 L124 L125 V128 L161	C87-L91 PolarHBondContact O-N 3.3Å; Y88-L91 PolarHBondContact O-N 2.97Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.87Å; L91-N94 CarbonylContact O-C 3.28Å; L91-N94 WeakPolarHBondContact O-CA 3.31Å; L91-N94 WeakPolarHBondContact O-CB 3.2Å; L91-N94 PolarHBondContact O-N 2.97Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 3.47Å; L91-Y121 HydrophobicContact CD2-CD1 4.18Å; L91-L124 HydrophobicContact CD1-CG 4.41Å; L91-L124 HydrophobicContact CD2-CB 4.39Å; L91-L124 HydrophobicContact CD2-CD2 3.64Å; L91-L124 HydrophobicContact CD2-CG 3.86Å; L91-L125 HydrophobicContact CB-CB 4.23Å; L91-L125 HydrophobicContact CB-CD1 3.84Å; L91-L125 HydrophobicContact CD1-CD1 4.31Å; L91-V128 HydrophobicContact CD1-CB 3.92Å; L91-V128 HydrophobicContact CD1-CG1 4.06Å; L91-V128 HydrophobicContact CD1-CG2 3.81Å; L91-L161 HydrophobicContact CD1-CD1 4.05Å; L91-L161 HydrophobicContact CD2-CD1 4.47Å; L91-L161 HydrophobicContact CG-CD1 4.47Å
92	D	98.6	Very high	98.3	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.08	16%	0.161	C	C	.	.	H	α-helix	trans	-54.7	-49.5	-173.6	-55	-121.9	0	0	0	111.5	Y88 N94 V95 H96 L125 R165	Y88-D92 WeakPolarHBondContact CA-OD2 3.41Å; Y88-D92 HydrophobicContact CD2-CB 3.41Å; Y88-D92 VanDerWaalsContact CD2-CB 3.41Å; Y88-D92 HydrophobicContact CE2-CB 3.57Å; Y88-D92 HydrophobicContact CG-CB 3.97Å; Y88-D92 PolarHBondContact O-N 2.98Å; D92-N94 VanDerWaalsContact C-N 3.34Å; D92-N94 PolarHBondContact O-N 2.74Å; D92-V95 PolarHBondContact O-N 2.71Å; D92-H96 VanDerWaalsContact O-CB 3.3Å; D92-H96 WeakPolarHBondContact O-CB 2.85Å; D92-H96 PolarHBondContact O-CD2 3.26Å; D92-H96 PolarHBondContact O-N 2.77Å; D92-L125 WeakPolarHBondContact OD2-CD1 3.5Å; D92-R165 IonicContact OD1-CZ 3.76Å; D92-R165 IonicContact OD1-NH1 3.86Å; D92-R165 PolarHBondContact OD1-NH1 2.83Å; D92-R165 IonicContact OD1-NH2 3.38Å; D92-R165 PolarHBondContact OD1-NH2 3.24Å; D92-R165 IonicContact OD2-CZ 3.83Å; D92-R165 IonicContact OD2-NH1 3.89Å; D92-R165 PolarHBondContact OD2-NH1 3.16Å; D92-R165 IonicContact OD2-NH2 2.91Å
93	R	98.1	Very high	98.3	Very high	37 Å²	37	37.2 Å²	37.2	14%	0.14	17%	0.171	C	C	.	.	I	π-helix	trans	-60.4	-42.3	175.8	173	164.5	177	-107.8	0.4	112.2	D51 Y88 L91 E97 R98	D51-R93 PolarHBondContact O-NH1 2.91Å; D51-R93 PolarHBondContact O-NH2 3.41Å; Y88-R93 HydrophobicContact CD1-CB 4.34Å; Y88-R93 HydrophobicContact CE1-CB 4.05Å; Y88-R93 WeakPolarHBondContact O-CB 3.38Å; Y88-R93 PolarHBondContact O-N 3.02Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.87Å; R93-E97 HydrophobicContact CG-CB 4.19Å; R93-E97 HydrophobicContact CG-CG 4.37Å; R93-E97 WeakPolarHBondContact CG-OE2 3.43Å; R93-E97 IonicContact NE-OE2 3.99Å; R93-E97 WeakPolarHBondContact O-CA 3.28Å; R93-E97 VanDerWaalsContact O-CB 3.27Å; R93-E97 WeakPolarHBondContact O-CB 3.33Å; R93-E97 PolarHBondContact O-N 2.67Å; R93-R98 PolarHBondContact O-N 3.47Å
94	N	98.3	Very high	98.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-64.8	-45	177.7	-79.7	-22.1	0	0	0	111.8	L90 L91 D92 R98 K99 L100 Y121 L367	L90-N94 PolarHBondContact O-ND2 3.31Å; L91-N94 CarbonylContact O-C 3.28Å; L91-N94 WeakPolarHBondContact O-CA 3.31Å; L91-N94 WeakPolarHBondContact O-CB 3.2Å; L91-N94 PolarHBondContact O-N 2.97Å; D92-N94 VanDerWaalsContact C-N 3.34Å; D92-N94 PolarHBondContact O-N 2.74Å; N94-R98 CarbonylContact O-C 3.6Å; N94-R98 VanDerWaalsContact OD1-CD 3.31Å; N94-R98 WeakPolarHBondContact OD1-CD 3.34Å; N94-R98 PolarHBondContact OD1-NH1 3.3Å; N94-K99 PolarHBondContact O-N 3.4Å; N94-L100 HydrophobicContact CB-CD1 4.45Å; N94-L100 WeakPolarHBondContact O-CB 3.4Å; N94-L100 PolarHBondContact O-N 2.97Å; N94-Y121 HydrophobicContact CB-CD1 3.99Å; N94-Y121 HydrophobicContact CB-CE1 4.22Å; N94-Y121 WeakPolarHBondContact ND2-CE1 3.43Å; N94-L367 PolarHBondContact ND2-O 2.82Å
95	V	98.6	Very high	98.4	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.073	18%	0.179	C	C	.	.	I	π-helix	trans	-68.5	-51.6	-179.1	174.8	0	0	0	0	110.9	L91 D92 K99 L125	L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 3.47Å; D92-V95 PolarHBondContact O-N 2.71Å; V95-K99 WeakPolarHBondContact O-CA 3.48Å; V95-L125 HydrophobicContact CB-CD2 4.16Å; V95-L125 HydrophobicContact CG1-CD2 4.31Å; V95-L125 HydrophobicContact CG2-CB 4.35Å; V95-L125 HydrophobicContact CG2-CD2 3.95Å
96	H	97.7	Very high	98.4	Very high	105 Å²	105	38.9 Å²	38.9	49%	0.486	18%	0.179	S	C	.	.	I	π-helix	trans	-93.1	-40.8	-167	-59.4	-60.9	0	0	0	113.5	D92 K99	D92-H96 VanDerWaalsContact O-CB 3.3Å; D92-H96 WeakPolarHBondContact O-CB 2.85Å; D92-H96 PolarHBondContact O-CD2 3.26Å; D92-H96 PolarHBondContact O-N 2.77Å; H96-K99 WeakPolarHBondContact O-CD 3.24Å; H96-K99 VanDerWaalsContact O-CE 3.25Å; H96-K99 WeakPolarHBondContact O-CE 3.17Å; H96-K99 PolarHBondContact O-NZ 3.01Å
97	E	96.6	Very high	98.4	Very high	90 Å²	90	40.2 Å²	40.2	42%	0.421	19%	0.185	S	C	.	.	I	π-helix	trans	-91	-49	-176.4	-55.6	173.5	-154.1	0	0	111	Y88 R93 K99	Y88-E97 PolarHBondContact OH-OE1 3.06Å; R93-E97 HydrophobicContact CG-CB 4.19Å; R93-E97 HydrophobicContact CG-CG 4.37Å; R93-E97 WeakPolarHBondContact CG-OE2 3.43Å; R93-E97 IonicContact NE-OE2 3.99Å; R93-E97 WeakPolarHBondContact O-CA 3.28Å; R93-E97 VanDerWaalsContact O-CB 3.27Å; R93-E97 WeakPolarHBondContact O-CB 3.33Å; R93-E97 PolarHBondContact O-N 2.67Å; E97-K99 VanDerWaalsContact C-N 3.33Å
98	R	97.1	Very high	98.4	Very high	96 Å²	96	40.9 Å²	40.9	36%	0.362	19%	0.187	S	C	.	.	S	Bend	trans	-85.2	-3.2	-180	-62.3	177.7	61.7	-159.7	6.6	114.2	R93 N94 L100 N369	R93-R98 PolarHBondContact O-N 3.47Å; N94-R98 CarbonylContact O-C 3.6Å; N94-R98 VanDerWaalsContact OD1-CD 3.31Å; N94-R98 WeakPolarHBondContact OD1-CD 3.34Å; N94-R98 PolarHBondContact OD1-NH1 3.3Å; R98-L100 VanDerWaalsContact C-N 3.25Å; R98-L100 HydrophobicContact CB-CD1 4.15Å; R98-L100 HydrophobicContact CB-CG 3.96Å; R98-L100 PolarHBondContact O-N 3.06Å; R98-N369 PolarHBondContact NH1-O 3.38Å; R98-N369 PolarHBondContact NH2-O 3Å
99	K	98.2	Very high	98.3	Very high	165 Å²	165	39 Å²	39	72%	0.717	18%	0.18	S	C	*	.			trans	56.8	34.7	177.4	-51	-57.1	-177	-170.2	0	113.9	N94 V95 H96 E97 G101	N94-K99 PolarHBondContact O-N 3.4Å; V95-K99 WeakPolarHBondContact O-CA 3.48Å; H96-K99 WeakPolarHBondContact O-CD 3.24Å; H96-K99 VanDerWaalsContact O-CE 3.25Å; H96-K99 WeakPolarHBondContact O-CE 3.17Å; H96-K99 PolarHBondContact O-NZ 3.01Å; E97-K99 VanDerWaalsContact C-N 3.33Å; K99-G101 VanDerWaalsContact C-N 3.34Å
100	L	98.2	Very high	98.2	Very high	33 Å²	33	39 Å²	39	17%	0.173	18%	0.18	C	C	.	.			trans	-93.2	13.7	179.3	-57.6	-179	0	0	0	113.1	N94 R98 D102 K103 Y121	N94-L100 HydrophobicContact CB-CD1 4.45Å; N94-L100 WeakPolarHBondContact O-CB 3.4Å; N94-L100 PolarHBondContact O-N 2.97Å; R98-L100 VanDerWaalsContact C-N 3.25Å; R98-L100 HydrophobicContact CB-CD1 4.15Å; R98-L100 HydrophobicContact CB-CG 3.96Å; R98-L100 PolarHBondContact O-N 3.06Å; L100-D102 VanDerWaalsContact C-N 3.25Å; L100-D102 PolarHBondContact O-N 2.96Å; L100-K103 HydrophobicContact CB-CB 4.17Å; L100-K103 HydrophobicContact CD2-CD 4.12Å; L100-K103 VanDerWaalsContact O-CB 3.24Å; L100-K103 WeakPolarHBondContact O-CB 3.29Å; L100-K103 PolarHBondContact O-N 3.37Å; L100-Y121 WeakPolarHBondContact O-CB 3.21Å
101	G	98.4	Very high	98	Very high	4 Å²	4	39.2 Å²	39.2	4%	0.041	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.9	-173.5	0	0	0	0	0	114.3	K99 T120 R122	K99-G101 VanDerWaalsContact C-N 3.34Å; G101-T120 WeakPolarHBondContact O-CB 3.48Å; G101-R122 VanDerWaalsContact O-CB 3.26Å; G101-R122 WeakPolarHBondContact O-CB 3.49Å; G101-R122 PolarHBondContact O-N 2.59Å
102	D	98.5	Very high	97.7	Very high	121 Å²	121	42.3 Å²	42.3	65%	0.647	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.7	-178.1	-49.1	-27.2	0	0	0	112.1	L100 R122	L100-D102 VanDerWaalsContact C-N 3.25Å; L100-D102 PolarHBondContact O-N 2.96Å; D102-R122 IonicContact OD1-CZ 2.74Å; D102-R122 IonicContact OD1-NE 2.67Å; D102-R122 PolarHBondContact OD1-NE 2.77Å; D102-R122 IonicContact OD1-NH2 3.11Å; D102-R122 PolarHBondContact OD1-NH2 2.86Å; D102-R122 IonicContact OD2-NH2 3.43Å
103	K	98.6	Very high	97.4	Very high	49 Å²	49	44.6 Å²	44.6	21%	0.213	21%	0.211	C	C	.	.	S	Bend	trans	-70.3	142.9	171.6	-171.9	177.6	-179.8	-178.2	0	109.1	L100 A105 T120 Y121 P343 G370 T372	L100-K103 HydrophobicContact CB-CB 4.17Å; L100-K103 HydrophobicContact CD2-CD 4.12Å; L100-K103 VanDerWaalsContact O-CB 3.24Å; L100-K103 WeakPolarHBondContact O-CB 3.29Å; L100-K103 PolarHBondContact O-N 3.37Å; K103-A105 PolarHBondContact O-N 3.29Å; K103-T120 CarbonylContact O-C 3.57Å; K103-T120 VanDerWaalsContact O-CA 3.26Å; K103-T120 WeakPolarHBondContact O-CA 3.42Å; K103-Y121 HydrophobicContact CB-CD2 4.24Å; K103-Y121 WeakPolarHBondContact O-CD2 3.17Å; K103-Y121 PolarHBondContact O-N 3.25Å; K103-P343 PolarHBondContact NZ-O 3.28Å; K103-G370 WeakPolarHBondContact CE-O 3.41Å; K103-G370 PolarHBondContact NZ-O 2.64Å; K103-T372 VanDerWaalsContact CE-OG1 3.29Å; K103-T372 WeakPolarHBondContact CE-OG1 3.25Å
104	I	98.8	Very high	97.2	Very high	46 Å²	46	45.6 Å²	45.6	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.4	175.4	-59.5	173.1	0	0	0	108.8	F106 F107 T118 T372	I104-F106 WeakPolarHBondContact CG2-O 3.48Å; I104-F107 HydrophobicContact CD1-CD1 4.48Å; I104-F107 HydrophobicContact CD1-CE1 3.46Å; I104-F107 VanDerWaalsContact CD1-CE1 3.46Å; I104-F107 HydrophobicContact CD1-CE2 4.37Å; I104-F107 HydrophobicContact CD1-CZ 3.39Å; I104-F107 HydrophobicContact CG2-CD1 4.2Å; I104-F107 HydrophobicContact CG2-CD2 4.33Å; I104-F107 HydrophobicContact CG2-CE1 4.1Å; I104-F107 HydrophobicContact CG2-CE2 4.23Å; I104-F107 HydrophobicContact CG2-CG 4.33Å; I104-F107 HydrophobicContact CG2-CZ 4.12Å; I104-T118 HydrophobicContact CB-CG2 4.4Å; I104-T118 HydrophobicContact CD1-CG2 3.68Å; I104-T118 HydrophobicContact CG1-CG2 3.76Å; I104-T118 HydrophobicContact CG2-CG2 3.79Å; I104-T372 HydrophobicContact CB-CG2 3.95Å; I104-T372 HydrophobicContact CG2-CG2 3.85Å; I104-T372 WeakPolarHBondContact O-CA 3.48Å; I104-T372 WeakPolarHBondContact O-CB 3.29Å; I104-T372 PolarHBondContact O-OG1 2.88Å
105	A	98.8	Very high	97	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-49	169	0	0	0	0	0	110	K103 V119 Y121 L124 L367 S373	K103-A105 PolarHBondContact O-N 3.29Å; A105-V119 PolarHBondContact N-O 3.3Å; A105-Y121 HydrophobicContact CB-CD1 4.32Å; A105-Y121 HydrophobicContact CB-CD2 3.79Å; A105-Y121 HydrophobicContact CB-CE1 4.32Å; A105-Y121 HydrophobicContact CB-CE2 3.77Å; A105-Y121 HydrophobicContact CB-CG 4.04Å; A105-L124 HydrophobicContact CB-CD2 3.99Å; A105-L367 HydrophobicContact CB-CD2 4.21Å; A105-S373 PolarHBondContact O-N 3.34Å
106	F	98.9	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.7	179.7	-67.9	-75.9	0	0	0	113.3	I104 V119 L124 V157 I362 L367 S373 L375	I104-F106 WeakPolarHBondContact CG2-O 3.48Å; F106-V119 PolarHBondContact N-O 3.22Å; F106-V119 PolarHBondContact O-N 2.81Å; F106-L124 HydrophobicContact CD2-CD2 4.17Å; F106-L124 HydrophobicContact CE2-CD2 3.91Å; F106-V157 HydrophobicContact CE2-CG1 3.89Å; F106-V157 HydrophobicContact CE2-CG2 4.38Å; F106-V157 HydrophobicContact CZ-CG1 4.22Å; F106-V157 HydrophobicContact CZ-CG2 4.29Å; F106-I362 HydrophobicContact CE1-CG2 4.18Å; F106-L367 HydrophobicContact CE2-CD1 4.24Å; F106-L367 HydrophobicContact CE2-CD2 3.92Å; F106-L367 HydrophobicContact CE2-CG 4.43Å; F106-L367 HydrophobicContact CZ-CD1 4.32Å; F106-L367 HydrophobicContact CZ-CD2 4.16Å; F106-L367 HydrophobicContact CZ-CG 4.33Å; F106-S373 CarbonylContact C-O 3.58Å; F106-S373 VanDerWaalsContact CA-O 3.24Å; F106-S373 WeakPolarHBondContact CA-O 3.33Å; F106-L375 HydrophobicContact CD1-CB 3.94Å
107	F	98.8	Very high	96.9	Very high	31 Å²	31	49.4 Å²	49.4	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.1	148.1	-63.1	-68.1	0	0	0	107.7	I104 T118 V346 T372 S373 V374 L375 Y395	I104-F107 HydrophobicContact CD1-CD1 4.48Å; I104-F107 HydrophobicContact CD1-CE1 3.46Å; I104-F107 VanDerWaalsContact CD1-CE1 3.46Å; I104-F107 HydrophobicContact CD1-CE2 4.37Å; I104-F107 HydrophobicContact CD1-CZ 3.39Å; I104-F107 HydrophobicContact CG2-CD1 4.2Å; I104-F107 HydrophobicContact CG2-CD2 4.33Å; I104-F107 HydrophobicContact CG2-CE1 4.1Å; I104-F107 HydrophobicContact CG2-CE2 4.23Å; I104-F107 HydrophobicContact CG2-CG 4.33Å; I104-F107 HydrophobicContact CG2-CZ 4.12Å; F107-T118 HydrophobicContact CD1-CG2 4.23Å; F107-T118 HydrophobicContact CE1-CG2 4.18Å; F107-V346 HydrophobicContact CD2-CG1 4.41Å; F107-V346 HydrophobicContact CE2-CG1 4.43Å; F107-T372 HydrophobicContact CD2-CG2 3.87Å; F107-T372 HydrophobicContact CE2-CG2 3.56Å; F107-T372 HydrophobicContact CZ-CG2 4.46Å; F107-S373 PolarHBondContact N-O 2.87Å; F107-V374 HydrophobicContact CB-CG2 4.36Å; F107-V374 HydrophobicContact CD2-CG2 4.49Å; F107-V374 CarbonylContact O-C 3.47Å; F107-V374 VanDerWaalsContact O-CA 3.31Å; F107-V374 WeakPolarHBondContact O-CA 3.36Å; F107-L375 PolarHBondContact O-N 2.86Å; F107-Y395 HydrophobicContact CB-CD1 3.82Å; F107-Y395 HydrophobicContact CB-CD2 4.33Å; F107-Y395 HydrophobicContact CB-CE1 3.68Å; F107-Y395 HydrophobicContact CB-CE2 4.21Å; F107-Y395 HydrophobicContact CB-CG 4.14Å; F107-Y395 AromaticContact CD1-CD1 3.58Å; F107-Y395 HydrophobicContact CD1-CD1 3.58Å; F107-Y395 AromaticContact CD1-CE1 3.52Å; F107-Y395 HydrophobicContact CD1-CE1 3.52Å; F107-Y395 AromaticContact CD2-CD1 3.74Å; F107-Y395 HydrophobicContact CD2-CD1 3.74Å; F107-Y395 HydrophobicContact CD2-CE1 4.39Å; F107-Y395 HydrophobicContact CD2-CG 4.04Å; F107-Y395 AromaticContact CE1-CD1 3.97Å; F107-Y395 HydrophobicContact CE1-CD1 3.97Å; F107-Y395 HydrophobicContact CE1-CE1 4.18Å; F107-Y395 HydrophobicContact CE2-CD1 4.13Å; F107-Y395 AromaticContact CG-CD1 3.43Å; F107-Y395 HydrophobicContact CG-CD1 3.43Å; F107-Y395 VanDerWaalsContact CG-CD1 3.43Å; F107-Y395 AromaticContact CG-CE1 3.62Å; F107-Y395 HydrophobicContact CG-CE1 3.62Å; F107-Y395 HydrophobicContact CG-CG 4.02Å; F107-Y395 HydrophobicContact CZ-CD1 4.23Å
108	W	98.7	Very high	96.9	Very high	13 Å²	13	48 Å²	48	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.1	172.1	177.2	74.9	0	0	0	109.8	D116 L117 M152 V153 V154 L375 E377	W108-D116 VanDerWaalsContact O-CA 3.24Å; W108-D116 WeakPolarHBondContact O-CA 3.44Å; W108-D116 WeakPolarHBondContact O-CB 3.25Å; W108-L117 HydrophobicContact CB-CB 4.22Å; W108-L117 HydrophobicContact CE3-CB 3.77Å; W108-L117 PolarHBondContact N-O 2.89Å; W108-L117 PolarHBondContact O-N 2.87Å; W108-M152 PolarHBondContact NE1-O 2.76Å; W108-V153 HydrophobicContact CZ2-CG1 4.14Å; W108-V154 HydrophobicContact CB-CG2 3.77Å; W108-V154 HydrophobicContact CG-CG2 4.02Å; W108-L375 CarbonylContact C-O 3.58Å; W108-L375 WeakPolarHBondContact CA-O 3.46Å; W108-E377 HydrophobicContact CZ2-CB 4.34Å
109	E	98	Very high	97	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.7	176.7	-174.3	82.1	-169.9	0	0	108.7	L375 F376 E377 R387 I391 K394 Y395	E109-L375 PolarHBondContact N-O 2.86Å; E109-F376 HydrophobicContact CB-CD2 4.07Å; E109-F376 HydrophobicContact CG-CD2 4.07Å; E109-F376 HydrophobicContact CG-CE2 4.31Å; E109-F376 WeakPolarHBondContact O-CA 3.48Å; E109-F376 WeakPolarHBondContact O-CD2 3.43Å; E109-E377 PolarHBondContact O-N 2.69Å; E109-R387 IonicContact OE1-CZ 3.84Å; E109-R387 IonicContact OE1-NH1 3.86Å; E109-R387 PolarHBondContact OE1-NH1 2.84Å; E109-R387 IonicContact OE1-NH2 2.86Å; E109-R387 PolarHBondContact OE1-NH2 2.87Å; E109-I391 HydrophobicContact CG-CD1 3.9Å; E109-I391 HydrophobicContact CG-CG1 4.11Å; E109-K394 IonicContact OE1-NZ 3.66Å; E109-K394 IonicContact OE2-NZ 3.57Å; E109-K394 PolarHBondContact OE2-NZ 3.02Å; E109-Y395 HydrophobicContact CB-CE2 4.35Å; E109-Y395 WeakPolarHBondContact OE2-CE2 3.15Å; E109-Y395 PolarHBondContact OE2-OH 2.83Å
110	G	96.5	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.			trans	-73.3	178.9	179.9	0	0	0	0	0	113.8	E112 D115 R387	G110-E112 VanDerWaalsContact C-N 3.34Å; G110-E112 PolarHBondContact O-N 3.44Å; G110-D115 WeakPolarHBondContact CA-O 3.4Å; G110-D115 PolarHBondContact N-O 3.03Å; G110-R387 PolarHBondContact O-NH2 3.33Å
111	N	93.8	Very high	97.1	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.027	20%	0.203	C	C	.	.	S	Bend	trans	-60.5	-42	177.3	-177.5	77.4	0	0	0	112.8	Y201 G203 E377 Y382	N111-Y201 PolarHBondContact OD1-O 3.38Å; N111-G203 PolarHBondContact ND2-O 2.86Å; N111-G203 WeakPolarHBondContact OD1-CA 3.31Å; N111-G203 PolarHBondContact OD1-N 3.46Å; N111-E377 PolarHBondContact N-OE2 2.8Å; N111-Y382 WeakPolarHBondContact O-CD1 3.16Å
112	E	93.4	Very high	97.1	Very high	65 Å²	65	40.7 Å²	40.7	30%	0.304	22%	0.222	S	C	.	.	S	Bend	trans	-87.7	134	177	-63.9	-57.6	130.5	0	0	111	G110 G114 D115 R268 Y382	G110-E112 VanDerWaalsContact C-N 3.34Å; G110-E112 PolarHBondContact O-N 3.44Å; E112-G114 PolarHBondContact O-N 2.76Å; E112-D115 HydrophobicContact CB-CB 4.38Å; E112-D115 PolarHBondContact O-N 3.42Å; E112-R268 IonicContact OE1-CZ 3.13Å; E112-R268 IonicContact OE1-NE 3.42Å; E112-R268 PolarHBondContact OE1-NE 3.28Å; E112-R268 IonicContact OE1-NH1 2.81Å; E112-R268 PolarHBondContact OE1-NH1 3.12Å; E112-R268 IonicContact OE1-NH2 3.2Å; E112-R268 PolarHBondContact OE1-NH2 3.1Å; E112-Y382 WeakPolarHBondContact OE1-CE1 3.45Å; E112-Y382 PolarHBondContact OE1-OH 2.97Å
113	P	92.6	Very high	97.1	Very high	62 Å²	62	38.8 Å²	38.8	40%	0.403	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	128.1	171	-24.3	33.6	0	0	0	111.9	P383	P113-P383 HydrophobicContact CG-CG 3.78Å
114	G	92.4	Very high	97.1	Very high	59 Å²	59	36.4 Å²	36.4	61%	0.608	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-1.1	-178	0	0	0	0	0	115.1	E112 D116	E112-G114 PolarHBondContact O-N 2.76Å; G114-D116 PolarHBondContact O-N 3.47Å
115	D	94.3	Very high	97.1	Very high	56 Å²	56	34.9 Å²	34.9	30%	0.299	19%	0.191	S	C	.	.			trans	-86.8	91.7	157.7	-169.9	24.5	0	0	0	107.2	G110 E112 K238	G110-D115 WeakPolarHBondContact CA-O 3.4Å; G110-D115 PolarHBondContact N-O 3.03Å; E112-D115 HydrophobicContact CB-CB 4.38Å; E112-D115 PolarHBondContact O-N 3.42Å; D115-K238 IonicContact OD1-NZ 3.89Å
116	D	96.3	Very high	97.1	Very high	70 Å²	70	38.4 Å²	38.4	37%	0.374	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.9	-176.6	59.7	71.9	0	0	0	111.9	W108 G114 K394	W108-D116 VanDerWaalsContact O-CA 3.24Å; W108-D116 WeakPolarHBondContact O-CA 3.44Å; W108-D116 WeakPolarHBondContact O-CB 3.25Å; G114-D116 PolarHBondContact O-N 3.47Å; D116-K394 IonicContact OD2-NZ 2.78Å; D116-K394 PolarHBondContact OD2-NZ 3.47Å
117	L	97.2	Very high	97.1	Very high	70 Å²	70	41.8 Å²	41.8	37%	0.366	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.5	-179.4	173.4	68.3	0	0	0	108.8	W108 V119 V154	W108-L117 HydrophobicContact CB-CB 4.22Å; W108-L117 HydrophobicContact CE3-CB 3.77Å; W108-L117 PolarHBondContact N-O 2.89Å; W108-L117 PolarHBondContact O-N 2.87Å; L117-V119 HydrophobicContact CD2-CG2 3.75Å; L117-V119 HydrophobicContact CG-CG2 3.82Å; L117-V154 HydrophobicContact CD2-CG2 4.06Å
118	T	98.5	Very high	97.1	Very high	61 Å²	61	40.3 Å²	40.3	37%	0.374	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.7	169.5	-60.5	0	0	0	0	109	I104 F107	I104-T118 HydrophobicContact CB-CG2 4.4Å; I104-T118 HydrophobicContact CD1-CG2 3.68Å; I104-T118 HydrophobicContact CG1-CG2 3.76Å; I104-T118 HydrophobicContact CG2-CG2 3.79Å; F107-T118 HydrophobicContact CD1-CG2 4.23Å; F107-T118 HydrophobicContact CE1-CG2 4.18Å
119	V	98.7	Very high	97.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	120.6	179.8	-173.4	0	0	0	0	109.7	A105 F106 L117 E123 L124 V154	A105-V119 PolarHBondContact N-O 3.3Å; F106-V119 PolarHBondContact N-O 3.22Å; F106-V119 PolarHBondContact O-N 2.81Å; L117-V119 HydrophobicContact CD2-CG2 3.75Å; L117-V119 HydrophobicContact CG-CG2 3.82Å; V119-E123 HydrophobicContact CG1-CB 4.02Å; V119-L124 HydrophobicContact CG1-CB 4.01Å; V119-V154 HydrophobicContact CG2-CG1 4.08Å; V119-V154 HydrophobicContact CG2-CG2 3.97Å
120	T	98.9	Very high	97.2	Very high	26 Å²	26	44 Å²	44	16%	0.16	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	162.4	173.4	61.8	0	0	0	0	112.1	G101 K103 R122 E123 L124	G101-T120 WeakPolarHBondContact O-CB 3.48Å; K103-T120 CarbonylContact O-C 3.57Å; K103-T120 VanDerWaalsContact O-CA 3.26Å; K103-T120 WeakPolarHBondContact O-CA 3.42Å; T120-R122 PolarHBondContact O-N 3.14Å; T120-E123 WeakPolarHBondContact CB-OE2 3.39Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.18Å; T120-E123 PolarHBondContact N-OE2 2.82Å; T120-E123 PolarHBondContact O-N 3.19Å; T120-E123 WeakPolarHBondContact OG1-CB 3.42Å; T120-E123 VanDerWaalsContact OG1-CD 3.27Å; T120-E123 VanDerWaalsContact OG1-CG 3.25Å; T120-E123 WeakPolarHBondContact OG1-CG 3.21Å; T120-E123 PolarHBondContact OG1-N 3.23Å; T120-E123 PolarHBondContact OG1-OE2 3.05Å; T120-L124 WeakPolarHBondContact O-CB 3.47Å; T120-L124 PolarHBondContact O-N 3.26Å
121	Y	98.9	Very high	97.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-36.8	174.2	-86.3	-88.7	0	0	0	112.5	L91 N94 L100 K103 A105 L124 L125 L367 G370 A371	L91-Y121 HydrophobicContact CD2-CD1 4.18Å; N94-Y121 HydrophobicContact CB-CD1 3.99Å; N94-Y121 HydrophobicContact CB-CE1 4.22Å; N94-Y121 WeakPolarHBondContact ND2-CE1 3.43Å; L100-Y121 WeakPolarHBondContact O-CB 3.21Å; K103-Y121 HydrophobicContact CB-CD2 4.24Å; K103-Y121 WeakPolarHBondContact O-CD2 3.17Å; K103-Y121 PolarHBondContact O-N 3.25Å; A105-Y121 HydrophobicContact CB-CD1 4.32Å; A105-Y121 HydrophobicContact CB-CD2 3.79Å; A105-Y121 HydrophobicContact CB-CE1 4.32Å; A105-Y121 HydrophobicContact CB-CE2 3.77Å; A105-Y121 HydrophobicContact CB-CG 4.04Å; Y121-L124 PolarHBondContact O-N 3.32Å; Y121-L125 WeakPolarHBondContact O-CB 3.32Å; Y121-L125 PolarHBondContact O-N 3.04Å; Y121-L367 HydrophobicContact CE1-CD2 3.71Å; Y121-G370 WeakPolarHBondContact OH-CA 3.49Å; Y121-A371 PolarHBondContact OH-N 3.4Å; Y121-A371 VanDerWaalsContact OH-N 3.14Å; Y121-A371 PolarHBondContact OH-O 2.89Å
122	R	98.8	Very high	97.5	Very high	116 Å²	116	43.7 Å²	43.7	44%	0.438	23%	0.229	S	C	.	.	H	α-helix	trans	-65.8	-46.8	177.1	-171.5	-172.1	-53.5	-115.5	4.8	111.7	G101 D102 T120 L124 L125 Q126	G101-R122 VanDerWaalsContact O-CB 3.26Å; G101-R122 WeakPolarHBondContact O-CB 3.49Å; G101-R122 PolarHBondContact O-N 2.59Å; D102-R122 IonicContact OD1-CZ 2.74Å; D102-R122 IonicContact OD1-NE 2.67Å; D102-R122 PolarHBondContact OD1-NE 2.77Å; D102-R122 IonicContact OD1-NH2 3.11Å; D102-R122 PolarHBondContact OD1-NH2 2.86Å; D102-R122 IonicContact OD2-NH2 3.43Å; T120-R122 PolarHBondContact O-N 3.14Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 2.96Å; R122-L125 PolarHBondContact O-N 3.11Å; R122-Q126 WeakPolarHBondContact O-CG 3.15Å; R122-Q126 PolarHBondContact O-N 3.47Å
123	E	98.8	Very high	97.8	Very high	81 Å²	81	42.4 Å²	42.4	38%	0.379	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-38.6	177.7	-70.8	164.1	141.5	0	0	111.6	V119 T120 Q126 K127	V119-E123 HydrophobicContact CG1-CB 4.02Å; T120-E123 WeakPolarHBondContact CB-OE2 3.39Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.18Å; T120-E123 PolarHBondContact N-OE2 2.82Å; T120-E123 PolarHBondContact O-N 3.19Å; T120-E123 WeakPolarHBondContact OG1-CB 3.42Å; T120-E123 VanDerWaalsContact OG1-CD 3.27Å; T120-E123 VanDerWaalsContact OG1-CG 3.25Å; T120-E123 WeakPolarHBondContact OG1-CG 3.21Å; T120-E123 PolarHBondContact OG1-N 3.23Å; T120-E123 PolarHBondContact OG1-OE2 3.05Å; E123-Q126 PolarHBondContact O-N 3.32Å; E123-K127 WeakPolarHBondContact O-CB 3.34Å; E123-K127 VanDerWaalsContact O-CG 3.3Å; E123-K127 WeakPolarHBondContact O-CG 3.15Å; E123-K127 PolarHBondContact O-N 2.99Å
124	L	98.9	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-46.5	175.1	-176.3	58.2	0	0	0	111.2	L91 A105 F106 V119 T120 Y121 R122 Q126 K127 V128 V157 V158 L161 L367	L91-L124 HydrophobicContact CD1-CG 4.41Å; L91-L124 HydrophobicContact CD2-CB 4.39Å; L91-L124 HydrophobicContact CD2-CD2 3.64Å; L91-L124 HydrophobicContact CD2-CG 3.86Å; A105-L124 HydrophobicContact CB-CD2 3.99Å; F106-L124 HydrophobicContact CD2-CD2 4.17Å; F106-L124 HydrophobicContact CE2-CD2 3.91Å; V119-L124 HydrophobicContact CG1-CB 4.01Å; T120-L124 WeakPolarHBondContact O-CB 3.47Å; T120-L124 PolarHBondContact O-N 3.26Å; Y121-L124 PolarHBondContact O-N 3.32Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 2.96Å; L124-Q126 PolarHBondContact O-N 3.31Å; L124-K127 PolarHBondContact O-N 2.96Å; L124-V128 HydrophobicContact CD1-CG2 4.23Å; L124-V128 WeakPolarHBondContact O-CB 3.34Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 2.95Å; L124-V157 HydrophobicContact CD1-CG1 4.45Å; L124-V158 HydrophobicContact CD1-CG2 3.92Å; L124-L161 HydrophobicContact CD2-CD1 4.45Å; L124-L367 HydrophobicContact CD2-CD1 4.29Å; L124-L367 HydrophobicContact CD2-CD2 4.09Å
125	L	98.9	Very high	98.4	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.073	18%	0.177	C	C	.	.	H	α-helix	trans	-57.2	-48.4	175.3	176.9	57.5	0	0	0	111.7	L91 D92 V95 Y121 R122 K127 V128 C129	L91-L125 HydrophobicContact CB-CB 4.23Å; L91-L125 HydrophobicContact CB-CD1 3.84Å; L91-L125 HydrophobicContact CD1-CD1 4.31Å; D92-L125 WeakPolarHBondContact OD2-CD1 3.5Å; V95-L125 HydrophobicContact CB-CD2 4.16Å; V95-L125 HydrophobicContact CG1-CD2 4.31Å; V95-L125 HydrophobicContact CG2-CB 4.35Å; V95-L125 HydrophobicContact CG2-CD2 3.95Å; Y121-L125 WeakPolarHBondContact O-CB 3.32Å; Y121-L125 PolarHBondContact O-N 3.04Å; R122-L125 PolarHBondContact O-N 3.11Å; L125-K127 PolarHBondContact O-N 2.85Å; L125-V128 PolarHBondContact O-N 2.83Å; L125-C129 WeakPolarHBondContact O-CB 3.37Å; L125-C129 PolarHBondContact O-N 2.87Å; L125-C129 PolarHBondContact O-SG 2.89Å; L125-C129 VanDerWaalsContact O-SG 3.4Å
126	Q	98.8	Very high	98.6	Very high	74 Å²	74	39.1 Å²	39.1	35%	0.346	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-45.8	178.2	-71.5	172.3	-18.9	0	0	112	R122 E123 L124 V128 C129 R130 D292	R122-Q126 WeakPolarHBondContact O-CG 3.15Å; R122-Q126 PolarHBondContact O-N 3.47Å; E123-Q126 PolarHBondContact O-N 3.32Å; L124-Q126 PolarHBondContact O-N 3.31Å; Q126-V128 VanDerWaalsContact C-N 3.35Å; Q126-V128 PolarHBondContact O-N 3.15Å; Q126-C129 PolarHBondContact O-N 3.25Å; Q126-R130 WeakPolarHBondContact O-CG 3.41Å; Q126-R130 PolarHBondContact O-N 3.43Å; Q126-D292 HydrophobicContact CB-CB 4.08Å; Q126-D292 HydrophobicContact CG-CB 4.16Å
127	K	98.8	Very high	98.6	Very high	70 Å²	70	39.8 Å²	39.8	30%	0.304	19%	0.194	S	C	.	.	H	α-helix	trans	-61.8	-42.4	176.6	-72.5	170.6	-176.9	-76.4	0	111.6	E123 L124 L125 R130 F131 V158 M287	E123-K127 WeakPolarHBondContact O-CB 3.34Å; E123-K127 VanDerWaalsContact O-CG 3.3Å; E123-K127 WeakPolarHBondContact O-CG 3.15Å; E123-K127 PolarHBondContact O-N 2.99Å; L124-K127 PolarHBondContact O-N 2.96Å; L125-K127 PolarHBondContact O-N 2.85Å; K127-R130 PolarHBondContact O-N 2.95Å; K127-F131 PolarHBondContact O-N 3.21Å; K127-V158 HydrophobicContact CB-CG1 4.19Å; K127-V158 HydrophobicContact CB-CG2 3.78Å; K127-V158 HydrophobicContact CD-CG2 4.39Å; K127-V158 WeakPolarHBondContact O-CG1 3.48Å; K127-M287 HydrophobicContact CB-CE 4.42Å; K127-M287 WeakPolarHBondContact O-CE 3.41Å
128	V	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-44.3	178.3	169.2	0	0	0	0	111.7	L91 L124 L125 Q126 F131 A132 V158 L161 A162	L91-V128 HydrophobicContact CD1-CB 3.92Å; L91-V128 HydrophobicContact CD1-CG1 4.06Å; L91-V128 HydrophobicContact CD1-CG2 3.81Å; L124-V128 HydrophobicContact CD1-CG2 4.23Å; L124-V128 WeakPolarHBondContact O-CB 3.34Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 2.95Å; L125-V128 PolarHBondContact O-N 2.83Å; Q126-V128 VanDerWaalsContact C-N 3.35Å; Q126-V128 PolarHBondContact O-N 3.15Å; V128-F131 PolarHBondContact O-N 3.47Å; V128-A132 WeakPolarHBondContact O-CB 3.35Å; V128-A132 PolarHBondContact O-N 3.45Å; V128-V158 HydrophobicContact CG2-CB 4.38Å; V128-V158 HydrophobicContact CG2-CG1 4.24Å; V128-V158 HydrophobicContact CG2-CG2 4.35Å; V128-L161 HydrophobicContact CG1-CB 4.04Å; V128-L161 HydrophobicContact CG2-CB 3.79Å; V128-L161 HydrophobicContact CG2-CD1 4.26Å; V128-A162 HydrophobicContact CG1-CB 4.43Å
129	C	98.9	Very high	98.6	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-44.8	175.8	-73.4	0	0	0	0	112.1	L125 Q126 F131 A132 N133 R165 D292 C294	L125-C129 WeakPolarHBondContact O-CB 3.37Å; L125-C129 PolarHBondContact O-N 2.87Å; L125-C129 PolarHBondContact O-SG 2.89Å; L125-C129 VanDerWaalsContact O-SG 3.4Å; Q126-C129 PolarHBondContact O-N 3.25Å; C129-F131 PolarHBondContact O-N 2.95Å; C129-A132 PolarHBondContact O-N 3.36Å; C129-N133 PolarHBondContact O-N 3.27Å; C129-N133 PolarHBondContact O-ND2 2.99Å; C129-R165 VanDerWaalsContact SG-CZ 3.59Å; C129-D292 VanDerWaalsContact CB-C 3.47Å; C129-D292 WeakPolarHBondContact CB-O 3.07Å; C129-C294 HydrophobicContact CB-CB 3.77Å
130	R	98.8	Very high	98.6	Very high	88 Å²	88	38.7 Å²	38.7	33%	0.332	20%	0.195	S	C	.	.	H	α-helix	trans	-57.6	-50.5	175.1	-72.8	-175.5	-172.1	173.1	8	111.3	Q126 K127 A132 N133 V134 M287 A290 A291 D292	Q126-R130 WeakPolarHBondContact O-CG 3.41Å; Q126-R130 PolarHBondContact O-N 3.43Å; K127-R130 PolarHBondContact O-N 2.95Å; R130-A132 PolarHBondContact O-N 2.88Å; R130-N133 WeakPolarHBondContact O-CB 3.5Å; R130-N133 PolarHBondContact O-N 3.45Å; R130-V134 WeakPolarHBondContact O-CG2 3.34Å; R130-V134 PolarHBondContact O-N 3.49Å; R130-M287 HydrophobicContact CB-CE 3.7Å; R130-M287 HydrophobicContact CB-SD 3.93Å; R130-A290 HydrophobicContact CB-CB 4.08Å; R130-A290 HydrophobicContact CG-CB 4.42Å; R130-A290 WeakPolarHBondContact O-CB 3.42Å; R130-A291 VanDerWaalsContact CA-O 3.27Å; R130-A291 WeakPolarHBondContact CA-O 3.11Å; R130-A291 WeakPolarHBondContact CG-O 3.44Å; R130-A291 PolarHBondContact N-O 3.39Å; R130-D292 HydrophobicContact CG-CB 4Å; R130-D292 IonicContact CZ-OD2 2.86Å; R130-D292 IonicContact NE-OD2 3.54Å; R130-D292 IonicContact NH2-OD2 3.9Å; R130-D292 PolarHBondContact NH2-OD2 2.91Å
131	F	98.9	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.3	-31.7	-176.9	-163.4	-112.1	0	0	0	112.9	K127 V128 C129 N133 V134 L135 V158 A159 A162 I195 I231 W283 M287	K127-F131 PolarHBondContact O-N 3.21Å; V128-F131 PolarHBondContact O-N 3.47Å; C129-F131 PolarHBondContact O-N 2.95Å; F131-N133 VanDerWaalsContact C-N 3.34Å; F131-N133 PolarHBondContact O-N 3.29Å; F131-V134 HydrophobicContact CD2-CB 4.11Å; F131-V134 HydrophobicContact CD2-CG1 4.2Å; F131-V134 HydrophobicContact CE2-CB 4.4Å; F131-V134 HydrophobicContact CE2-CG1 4.01Å; F131-V134 WeakPolarHBondContact O-CB 3.2Å; F131-V134 PolarHBondContact O-N 3.32Å; F131-L135 HydrophobicContact CD1-CD1 4.19Å; F131-L135 HydrophobicContact CD1-CG 4.25Å; F131-L135 HydrophobicContact CE1-CD1 3.97Å; F131-L135 HydrophobicContact CE1-CD2 3.94Å; F131-L135 HydrophobicContact CE1-CG 3.9Å; F131-L135 HydrophobicContact CZ-CD2 3.99Å; F131-L135 HydrophobicContact CZ-CG 4.27Å; F131-L135 WeakPolarHBondContact O-CG 3.39Å; F131-L135 PolarHBondContact O-N 2.8Å; F131-V158 HydrophobicContact CB-CG1 3.71Å; F131-V158 HydrophobicContact CD1-CG1 4.47Å; F131-V158 HydrophobicContact CG-CG1 4.28Å; F131-A159 HydrophobicContact CD1-CB 4.32Å; F131-A159 HydrophobicContact CE1-CB 3.9Å; F131-A162 HydrophobicContact CB-CB 4.14Å; F131-A162 HydrophobicContact CD1-CB 3.65Å; F131-A162 HydrophobicContact CG-CB 4.38Å; F131-I195 HydrophobicContact CE1-CD1 3.58Å; F131-I195 HydrophobicContact CZ-CD1 3.66Å; F131-I195 HydrophobicContact CZ-CG1 4.35Å; F131-I231 HydrophobicContact CE2-CD1 4.16Å; F131-I231 HydrophobicContact CE2-CG2 4.25Å; F131-I231 HydrophobicContact CZ-CD1 4.05Å; F131-I231 HydrophobicContact CZ-CG2 4.49Å; F131-W283 HydrophobicContact CB-CH2 4.41Å; F131-W283 HydrophobicContact CB-CZ2 4.4Å; F131-W283 AromaticContact CD1-CH2 3.51Å; F131-W283 HydrophobicContact CD1-CH2 3.51Å; F131-W283 HydrophobicContact CD1-CZ2 4.29Å; F131-W283 AromaticContact CD1-CZ3 3.92Å; F131-W283 HydrophobicContact CD1-CZ3 3.92Å; F131-W283 HydrophobicContact CD2-CD2 4.19Å; F131-W283 AromaticContact CD2-CE3 4Å; F131-W283 HydrophobicContact CD2-CE3 4Å; F131-W283 AromaticContact CD2-CH2 3.49Å; F131-W283 HydrophobicContact CD2-CH2 3.49Å; F131-W283 VanDerWaalsContact CD2-CH2 3.49Å; F131-W283 AromaticContact CD2-CZ2 3.7Å; F131-W283 HydrophobicContact CD2-CZ2 3.7Å; F131-W283 AromaticContact CD2-CZ3 3.67Å; F131-W283 HydrophobicContact CD2-CZ3 3.67Å; F131-W283 HydrophobicContact CE1-CE3 4.43Å; F131-W283 AromaticContact CE1-CH2 3.54Å; F131-W283 HydrophobicContact CE1-CH2 3.54Å; F131-W283 AromaticContact CE1-CZ3 3.45Å; F131-W283 HydrophobicContact CE1-CZ3 3.45Å; F131-W283 VanDerWaalsContact CE1-CZ3 3.45Å; F131-W283 AromaticContact CE2-CD2 3.92Å; F131-W283 HydrophobicContact CE2-CD2 3.92Å; F131-W283 AromaticContact CE2-CE3 3.36Å; F131-W283 HydrophobicContact CE2-CE3 3.36Å; F131-W283 AromaticContact CE2-CH2 3.52Å; F131-W283 HydrophobicContact CE2-CH2 3.52Å; F131-W283 HydrophobicContact CE2-CZ2 4.06Å; F131-W283 AromaticContact CE2-CZ3 3.16Å; F131-W283 HydrophobicContact CE2-CZ3 3.16Å; F131-W283 AromaticContact CG-CH2 3.5Å; F131-W283 HydrophobicContact CG-CH2 3.5Å; F131-W283 VanDerWaalsContact CG-CH2 3.5Å; F131-W283 AromaticContact CG-CZ2 3.84Å; F131-W283 HydrophobicContact CG-CZ2 3.84Å; F131-W283 HydrophobicContact CG-CZ3 4.04Å; F131-W283 AromaticContact CZ-CE3 3.63Å; F131-W283 HydrophobicContact CZ-CE3 3.63Å; F131-W283 AromaticContact CZ-CH2 3.56Å; F131-W283 HydrophobicContact CZ-CH2 3.56Å; F131-W283 AromaticContact CZ-CZ3 3.04Å; F131-W283 HydrophobicContact CZ-CZ3 3.04Å; F131-M287 HydrophobicContact CB-CE 4.32Å; F131-M287 HydrophobicContact CB-SD 3.69Å; F131-M287 HydrophobicContact CD2-SD 3.73Å; F131-M287 HydrophobicContact CG-SD 4.17Å
132	A	98.9	Very high	98.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-43.1	170.4	0	0	0	0	0	111.6	V128 C129 R130 V134 L135 K136 A162 R165 I166 C294	V128-A132 WeakPolarHBondContact O-CB 3.35Å; V128-A132 PolarHBondContact O-N 3.45Å; C129-A132 PolarHBondContact O-N 3.36Å; R130-A132 PolarHBondContact O-N 2.88Å; A132-V134 VanDerWaalsContact C-N 3.35Å; A132-L135 PolarHBondContact O-N 3.17Å; A132-K136 WeakPolarHBondContact O-CG 3.48Å; A132-K136 PolarHBondContact O-N 3.18Å; A132-A162 HydrophobicContact CB-CB 4.11Å; A132-R165 HydrophobicContact CB-CB 4.44Å; A132-I166 HydrophobicContact CB-CG2 3.73Å; A132-C294 HydrophobicContact CB-CB 4.33Å
133	N	98.8	Very high	98.4	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.203	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-37.2	173.9	-74.3	-32.8	0	0	0	112.5	C129 R130 F131 K136 S137 A290 A291 E293 C294	C129-N133 PolarHBondContact O-N 3.27Å; C129-N133 PolarHBondContact O-ND2 2.99Å; R130-N133 WeakPolarHBondContact O-CB 3.5Å; R130-N133 PolarHBondContact O-N 3.45Å; F131-N133 VanDerWaalsContact C-N 3.34Å; F131-N133 PolarHBondContact O-N 3.29Å; N133-K136 PolarHBondContact O-N 3.13Å; N133-S137 PolarHBondContact O-N 3.21Å; N133-A290 HydrophobicContact CB-CB 4.42Å; N133-A291 PolarHBondContact ND2-O 2.78Å; N133-E293 PolarHBondContact ND2-O 2.81Å; N133-C294 PolarHBondContact OD1-SG 3.4Å
134	V	98.7	Very high	98.4	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-49.1	171.6	169.5	0	0	0	0	110.8	R130 F131 A132 K136 S137 Q138 I231 L286 A290	R130-V134 WeakPolarHBondContact O-CG2 3.34Å; R130-V134 PolarHBondContact O-N 3.49Å; F131-V134 HydrophobicContact CD2-CB 4.11Å; F131-V134 HydrophobicContact CD2-CG1 4.2Å; F131-V134 HydrophobicContact CE2-CB 4.4Å; F131-V134 HydrophobicContact CE2-CG1 4.01Å; F131-V134 WeakPolarHBondContact O-CB 3.2Å; F131-V134 PolarHBondContact O-N 3.32Å; A132-V134 VanDerWaalsContact C-N 3.35Å; V134-K136 VanDerWaalsContact C-N 3.33Å; V134-K136 PolarHBondContact O-N 3.3Å; V134-S137 PolarHBondContact O-N 3.31Å; V134-S137 VanDerWaalsContact O-N 3.12Å; V134-S137 PolarHBondContact O-OG 2.92Å; V134-Q138 WeakPolarHBondContact O-CG 3.2Å; V134-Q138 PolarHBondContact O-N 3.41Å; V134-I231 HydrophobicContact CG1-CD1 4.13Å; V134-L286 HydrophobicContact CG1-CB 3.81Å; V134-L286 HydrophobicContact CG1-CD1 3.75Å; V134-L286 HydrophobicContact CG1-CD2 4.42Å; V134-L286 HydrophobicContact CG1-CG 4.21Å; V134-L286 HydrophobicContact CG2-CB 3.87Å; V134-A290 HydrophobicContact CG2-CB 3.78Å
135	L	98.7	Very high	98.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-43.9	178.5	-69	176.3	0	0	0	111.6	F131 A132 S137 Q138 G139 V140 A162 I166 I195 I231	F131-L135 HydrophobicContact CD1-CD1 4.19Å; F131-L135 HydrophobicContact CD1-CG 4.25Å; F131-L135 HydrophobicContact CE1-CD1 3.97Å; F131-L135 HydrophobicContact CE1-CD2 3.94Å; F131-L135 HydrophobicContact CE1-CG 3.9Å; F131-L135 HydrophobicContact CZ-CD2 3.99Å; F131-L135 HydrophobicContact CZ-CG 4.27Å; F131-L135 WeakPolarHBondContact O-CG 3.39Å; F131-L135 PolarHBondContact O-N 2.8Å; A132-L135 PolarHBondContact O-N 3.17Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.49Å; L135-Q138 CarbonylContact O-C 3.52Å; L135-Q138 PolarHBondContact O-N 3.13Å; L135-Q138 VanDerWaalsContact O-N 3.13Å; L135-G139 PolarHBondContact O-N 3.4Å; L135-V140 HydrophobicContact CB-CB 4.16Å; L135-V140 HydrophobicContact CB-CG2 4.23Å; L135-V140 HydrophobicContact CD2-CG2 4.33Å; L135-V140 WeakPolarHBondContact O-CB 3.36Å; L135-V140 WeakPolarHBondContact O-CG2 3.17Å; L135-V140 PolarHBondContact O-N 3.06Å; L135-A162 HydrophobicContact CD1-CB 4Å; L135-I166 HydrophobicContact CB-CD1 3.67Å; L135-I166 HydrophobicContact CD1-CD1 4.12Å; L135-I195 HydrophobicContact CD2-CD1 4.25Å; L135-I231 HydrophobicContact CD2-CD1 4.36Å
136	K	98.4	Very high	98.4	Very high	103 Å²	103	44 Å²	44	45%	0.448	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-40.2	174.7	-68.9	173.1	79.9	170.4	0	111.9	A132 N133 V134 Q138 G139 I166	A132-K136 WeakPolarHBondContact O-CG 3.48Å; A132-K136 PolarHBondContact O-N 3.18Å; N133-K136 PolarHBondContact O-N 3.13Å; V134-K136 VanDerWaalsContact C-N 3.33Å; V134-K136 PolarHBondContact O-N 3.3Å; K136-Q138 VanDerWaalsContact C-N 3.26Å; K136-Q138 PolarHBondContact O-N 2.76Å; K136-G139 WeakPolarHBondContact O-CA 3.19Å; K136-G139 PolarHBondContact O-N 3.37Å; K136-I166 HydrophobicContact CD-CG2 3.91Å; K136-I166 HydrophobicContact CG-CD1 4.27Å; K136-I166 HydrophobicContact CG-CG2 4.05Å
137	S	97.5	Very high	98.4	Very high	84 Å²	84	40.5 Å²	40.5	59%	0.587	21%	0.211	S	C	*	.	H	α-helix	trans	-68.8	-25.4	177.3	88	0	0	0	0	112.9	N133 V134 L135 G139	N133-S137 PolarHBondContact O-N 3.21Å; V134-S137 PolarHBondContact O-N 3.31Å; V134-S137 VanDerWaalsContact O-N 3.12Å; V134-S137 PolarHBondContact O-OG 2.92Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.49Å; S137-G139 PolarHBondContact O-N 3.36Å
138	Q	97.4	Very high	98.4	Very high	60 Å²	60	37.2 Å²	37.2	28%	0.28	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.5	170.3	-56.9	-40	-59.1	0	0	113	V134 L135 K136 L193 I231 L281	V134-Q138 WeakPolarHBondContact O-CG 3.2Å; V134-Q138 PolarHBondContact O-N 3.41Å; L135-Q138 CarbonylContact O-C 3.52Å; L135-Q138 PolarHBondContact O-N 3.13Å; L135-Q138 VanDerWaalsContact O-N 3.13Å; K136-Q138 VanDerWaalsContact C-N 3.26Å; K136-Q138 PolarHBondContact O-N 2.76Å; Q138-L193 HydrophobicContact CB-CD1 4Å; Q138-L193 HydrophobicContact CG-CD1 4.29Å; Q138-I231 HydrophobicContact CG-CD1 4.31Å; Q138-L281 HydrophobicContact CG-CD1 4.32Å
139	G	97.2	Very high	98.3	Very high	44 Å²	44	37.2 Å²	37.2	45%	0.454	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	8.9	174.7	0	0	0	0	0	115.3	L135 K136 S137	L135-G139 PolarHBondContact O-N 3.4Å; K136-G139 WeakPolarHBondContact O-CA 3.19Å; K136-G139 PolarHBondContact O-N 3.37Å; S137-G139 PolarHBondContact O-N 3.36Å
140	V	98.4	Very high	98.3	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.036	20%	0.196	C	C	.	.			trans	-68.4	130.6	176.2	-177.4	0	0	0	0	110	L135 D144 V146 I166 A168	L135-V140 HydrophobicContact CB-CB 4.16Å; L135-V140 HydrophobicContact CB-CG2 4.23Å; L135-V140 HydrophobicContact CD2-CG2 4.33Å; L135-V140 WeakPolarHBondContact O-CB 3.36Å; L135-V140 WeakPolarHBondContact O-CG2 3.17Å; L135-V140 PolarHBondContact O-N 3.06Å; V140-D144 HydrophobicContact CG1-CB 4.03Å; V140-V146 HydrophobicContact CG1-CG2 3.9Å; V140-V146 HydrophobicContact CG2-CG2 4.32Å; V140-I166 HydrophobicContact CB-CD1 4.16Å; V140-I166 HydrophobicContact CG1-CD1 3.8Å; V140-A168 HydrophobicContact CG1-CB 3.71Å
141	K	97.7	Very high	98.1	Very high	147 Å²	147	33 Å²	33	64%	0.639	18%	0.18	S	C	*	.			trans	-120.6	168.6	179.5	-62.6	174.1	-173.3	178	0	111.3	G143 D144	K141-G143 PolarHBondContact O-N 3.46Å; K141-D144 PolarHBondContact N-OD2 2.81Å; K141-D144 WeakPolarHBondContact O-CB 3.49Å; K141-D144 PolarHBondContact O-N 3.38Å
142	K	98.3	Very high	98	Very high	79 Å²	79	33.4 Å²	33.4	34%	0.343	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	130.2	169.6	-176.2	179	-179.4	179.4	0	110.4	D144 G167 E297 W298 D303	K142-D144 VanDerWaalsContact C-N 3.33Å; K142-G167 CarbonylContact C-O 3.55Å; K142-G167 WeakPolarHBondContact CA-O 3.44Å; K142-E297 HydrophobicContact CB-CG 4.23Å; K142-E297 HydrophobicContact CD-CG 3.89Å; K142-E297 HydrophobicContact CG-CG 4.33Å; K142-W298 PolarHBondContact NZ-O 3.32Å; K142-D303 WeakPolarHBondContact CE-OD2 3.37Å; K142-D303 IonicContact NZ-OD2 2.71Å; K142-D303 PolarHBondContact NZ-OD2 2.79Å
143	G	97.4	Very high	98	Very high	33 Å²	33	33.5 Å²	33.5	34%	0.34	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-12.2	-178.3	0	0	0	0	0	115.6	K141 R145 G167	K141-G143 PolarHBondContact O-N 3.46Å; G143-R145 WeakPolarHBondContact O-CD 3.32Å; G143-R145 PolarHBondContact O-NH1 2.83Å; G143-G167 PolarHBondContact N-O 3.09Å
144	D	98.4	Very high	98	Very high	44 Å²	44	31.7 Å²	31.7	24%	0.235	17%	0.173	C	C	.	.			trans	-68.1	144.4	173.7	-74.2	-22.2	0	0	0	110.9	V140 K141 K142 A168 V169	V140-D144 HydrophobicContact CG1-CB 4.03Å; K141-D144 PolarHBondContact N-OD2 2.81Å; K141-D144 WeakPolarHBondContact O-CB 3.49Å; K141-D144 PolarHBondContact O-N 3.38Å; K142-D144 VanDerWaalsContact C-N 3.33Å; D144-A168 CarbonylContact O-C 3.56Å; D144-A168 WeakPolarHBondContact O-CA 3.32Å; D144-V169 PolarHBondContact O-N 3.4Å
145	R	98.3	Very high	98	Very high	47 Å²	47	33.4 Å²	33.4	18%	0.177	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.8	178.2	-74.2	69.7	57.5	-143.7	-7.1	110.8	G143 V169 S189 Q190 C191 S192 I307 Y524	G143-R145 WeakPolarHBondContact O-CD 3.32Å; G143-R145 PolarHBondContact O-NH1 2.83Å; R145-V169 CarbonylContact C-O 3.37Å; R145-V169 WeakPolarHBondContact CA-O 3.47Å; R145-V169 HydrophobicContact CG-CB 3.95Å; R145-V169 HydrophobicContact CG-CG1 4.18Å; R145-S189 WeakPolarHBondContact CB-O 3.32Å; R145-S189 WeakPolarHBondContact CG-O 3.4Å; R145-S189 PolarHBondContact NE-O 3.49Å; R145-Q190 PolarHBondContact NH2-O 3.36Å; R145-C191 CarbonylContact O-C 3.43Å; R145-C191 VanDerWaalsContact O-CA 3.22Å; R145-C191 WeakPolarHBondContact O-CA 2.87Å; R145-S192 PolarHBondContact O-N 3.15Å; R145-S192 PolarHBondContact O-OG 3.43Å; R145-I307 HydrophobicContact CG-CD1 3.73Å; R145-Y524 PolarHBondContact NE-OH 3.04Å; R145-Y524 VanDerWaalsContact NE-OH 3.15Å
146	V	98.8	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.6	177.5	-179.6	0	0	0	0	109.2	V140 I148 A168 V169 H170 S171 L193 I195	V140-V146 HydrophobicContact CG1-CG2 3.9Å; V140-V146 HydrophobicContact CG2-CG2 4.32Å; V146-I148 HydrophobicContact CG1-CG1 4.48Å; V146-A168 HydrophobicContact CG2-CB 4.39Å; V146-V169 PolarHBondContact N-O 2.69Å; V146-H170 CarbonylContact O-C 3.56Å; V146-H170 WeakPolarHBondContact O-CA 3.45Å; V146-S171 PolarHBondContact O-N 3.19Å; V146-L193 HydrophobicContact CG1-CD2 4.03Å; V146-I195 HydrophobicContact CG1-CD1 3.64Å; V146-I195 HydrophobicContact CG1-CG1 3.95Å
147	S	98.7	Very high	98	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.7	176.3	-169.8	0	0	0	0	110.1	S171 C191 L193 L194 I195	S147-S171 WeakPolarHBondContact CA-O 3.42Å; S147-C191 PolarHBondContact N-SG 2.86Å; S147-L193 PolarHBondContact N-O 2.84Å; S147-L194 CarbonylContact O-C 3.54Å; S147-I195 PolarHBondContact O-N 3.06Å
148	I	98.8	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.3	178.9	-49.6	179.6	0	0	0	109.1	V146 M150 L156 A159 M160 H170 S171 I172 V173 I195	V146-I148 HydrophobicContact CG1-CG1 4.48Å; I148-M150 HydrophobicContact CG2-CB 4.31Å; I148-M150 HydrophobicContact CG2-CG 3.89Å; I148-M150 HydrophobicContact CG2-SD 4.01Å; I148-L156 HydrophobicContact CG2-CD1 3.5Å; I148-A159 HydrophobicContact CD1-CB 3.92Å; I148-A159 HydrophobicContact CG2-CB 4.39Å; I148-M160 HydrophobicContact CD1-CB 4.47Å; I148-H170 HydrophobicContact CD1-CB 3.87Å; I148-S171 PolarHBondContact N-O 2.94Å; I148-I172 HydrophobicContact CB-CG1 4.18Å; I148-I172 HydrophobicContact CD1-CD1 4.5Å; I148-I172 HydrophobicContact CD1-CG1 4.22Å; I148-I172 WeakPolarHBondContact O-CA 3.46Å; I148-V173 PolarHBondContact O-N 2.89Å; I148-I195 HydrophobicContact CG1-CD1 4.26Å; I148-I195 HydrophobicContact CG2-CB 4.5Å
149	Y	97.9	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	71.1	-176.9	-172	-116.6	0	0	0	110	V173 F174 A175 F177 L182 I195 T196 L209 L212	Y149-V173 HydrophobicContact CD2-CB 3.94Å; Y149-V173 HydrophobicContact CD2-CG1 3.95Å; Y149-V173 WeakPolarHBondContact CD2-O 3.24Å; Y149-V173 HydrophobicContact CE2-CG1 4.2Å; Y149-F174 VanDerWaalsContact CE2-O 3.3Å; Y149-F174 WeakPolarHBondContact CE2-O 3.41Å; Y149-A175 PolarHBondContact OH-O 3.24Å; Y149-F177 PolarHBondContact OH-O 2.81Å; Y149-L182 HydrophobicContact CD1-CD2 3.74Å; Y149-L182 HydrophobicContact CD2-CD1 4.17Å; Y149-L182 HydrophobicContact CD2-CD2 4.3Å; Y149-L182 HydrophobicContact CE1-CD2 4.08Å; Y149-L182 HydrophobicContact CG-CD1 4.16Å; Y149-L182 HydrophobicContact CG-CD2 3.87Å; Y149-I195 PolarHBondContact N-O 3.46Å; Y149-T196 WeakPolarHBondContact O-CA 3.4Å; Y149-T196 PolarHBondContact O-OG1 2.97Å; Y149-L209 HydrophobicContact CD1-CD2 3.97Å; Y149-L209 HydrophobicContact CE1-CB 4.34Å; Y149-L209 HydrophobicContact CE1-CD2 3.31Å; Y149-L209 HydrophobicContact CE1-CG 4.39Å; Y149-L212 HydrophobicContact CE1-CB 4.18Å; Y149-L212 WeakPolarHBondContact OH-CD1 3.06Å
150	M	97.8	Very high	98.2	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	10%	0.097	C	C	.	.			trans	-125.9	154.2	-170.3	-65	-174.7	74.7	0	0	111.8	I148 V153 E155 L156 A159 A175 I195 L233	I148-M150 HydrophobicContact CG2-CB 4.31Å; I148-M150 HydrophobicContact CG2-CG 3.89Å; I148-M150 HydrophobicContact CG2-SD 4.01Å; M150-V153 HydrophobicContact CE-CG2 4.12Å; M150-E155 HydrophobicContact CE-CB 3.7Å; M150-L156 HydrophobicContact CB-CB 4.14Å; M150-L156 HydrophobicContact CB-CD1 4.22Å; M150-A159 HydrophobicContact SD-CB 4.4Å; M150-A175 WeakPolarHBondContact O-CB 3.24Å; M150-I195 HydrophobicContact CG-CG2 4.28Å; M150-I195 HydrophobicContact SD-CG2 3.54Å; M150-I195 VanDerWaalsContact SD-CG2 3.54Å; M150-L233 HydrophobicContact CE-CB 3.91Å; M150-L233 HydrophobicContact CE-CD2 3.52Å; M150-L233 HydrophobicContact CE-CG 4.33Å
151	P	95.9	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.			trans	-71.2	176.5	171.3	33	-33.9	0	0	0	111.2	V153 L156 A197 F200 L209	P151-V153 HydrophobicContact CG-CG1 3.92Å; P151-V153 HydrophobicContact CG-CG2 4.16Å; P151-V153 PolarHBondContact O-N 2.68Å; P151-L156 VanDerWaalsContact O-CD2 3.31Å; P151-L156 WeakPolarHBondContact O-CD2 3.09Å; P151-A197 HydrophobicContact CG-CB 4.37Å; P151-F200 HydrophobicContact CB-CB 3.78Å; P151-F200 HydrophobicContact CB-CD1 3.71Å; P151-F200 HydrophobicContact CB-CD2 3.85Å; P151-F200 HydrophobicContact CB-CE1 4.2Å; P151-F200 HydrophobicContact CB-CE2 4.32Å; P151-F200 HydrophobicContact CB-CG 3.52Å; P151-F200 HydrophobicContact CB-CZ 4.48Å; P151-F200 HydrophobicContact CG-CB 4.03Å; P151-F200 HydrophobicContact CG-CD1 4.35Å; P151-F200 HydrophobicContact CG-CG 4.24Å; P151-L209 HydrophobicContact CG-CD1 4.29Å
152	M	96.4	Very high	98.3	Very high	10 Å²	10	12.3 Å²	12.3	5%	0.049	7%	0.065	C	C	.	.	S	Bend	trans	-74	67.8	179.1	-75.3	-62.4	-71.7	0	0	112.3	W108 L156 A351 D352 I353 I362 L375 F376 E377	W108-M152 PolarHBondContact NE1-O 2.76Å; M152-L156 HydrophobicContact SD-CD2 4.19Å; M152-A351 WeakPolarHBondContact CE-O 3.21Å; M152-D352 HydrophobicContact CG-CB 4.34Å; M152-D352 WeakPolarHBondContact CG-OD2 3.12Å; M152-D352 HydrophobicContact SD-CB 4.22Å; M152-I353 HydrophobicContact CE-CD1 4.24Å; M152-I353 HydrophobicContact CE-CG1 4.04Å; M152-I353 HydrophobicContact SD-CB 4.01Å; M152-I353 HydrophobicContact SD-CD1 4.13Å; M152-I353 HydrophobicContact SD-CG1 3.86Å; M152-I353 PolarHBondContact SD-N 3.24Å; M152-I362 HydrophobicContact CE-CD1 3.78Å; M152-L375 HydrophobicContact CE-CD1 3.37Å; M152-L375 HydrophobicContact CE-CG 4.47Å; M152-F376 WeakPolarHBondContact CB-O 3.21Å; M152-E377 HydrophobicContact CB-CB 4.46Å
153	V	97.9	Very high	98.3	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	5%	0.049	C	C	.	.	S	Bend	trans	-115.9	161.6	178.4	-64.3	0	0	0	0	111.4	W108 M150 P151 E155 L156 L233 H235	W108-V153 HydrophobicContact CZ2-CG1 4.14Å; M150-V153 HydrophobicContact CE-CG2 4.12Å; P151-V153 HydrophobicContact CG-CG1 3.92Å; P151-V153 HydrophobicContact CG-CG2 4.16Å; P151-V153 PolarHBondContact O-N 2.68Å; V153-E155 HydrophobicContact CG2-CB 4.11Å; V153-E155 PolarHBondContact O-N 3.1Å; V153-L156 HydrophobicContact CG2-CB 4.46Å; V153-L156 WeakPolarHBondContact O-CB 3.47Å; V153-L156 PolarHBondContact O-N 3.36Å; V153-L156 VanDerWaalsContact O-N 3.09Å; V153-L233 HydrophobicContact CG2-CD2 3.96Å; V153-H235 VanDerWaalsContact CG1-CE1 3.45Å; V153-H235 WeakPolarHBondContact CG1-CE1 3.17Å
154	V	98.5	Very high	98.4	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.006	3%	0.034	C	C	.	.	H	α-helix	trans	-58.4	-35.6	179.5	173.7	0	0	0	0	111.4	W108 L117 V119 L156 V157 V158 L375	W108-V154 HydrophobicContact CB-CG2 3.77Å; W108-V154 HydrophobicContact CG-CG2 4.02Å; L117-V154 HydrophobicContact CD2-CG2 4.06Å; V119-V154 HydrophobicContact CG2-CG1 4.08Å; V119-V154 HydrophobicContact CG2-CG2 3.97Å; V154-L156 PolarHBondContact O-N 3.03Å; V154-V157 WeakPolarHBondContact O-CB 3.47Å; V154-V157 PolarHBondContact O-N 2.87Å; V154-V158 HydrophobicContact CG1-CG2 4.25Å; V154-V158 WeakPolarHBondContact O-CG2 3.32Å; V154-V158 PolarHBondContact O-N 2.83Å; V154-L375 HydrophobicContact CG2-CD2 4.26Å
155	E	98.7	Very high	98.4	Very high	39 Å²	39	5.3 Å²	5.3	18%	0.182	2%	0.024	C	C	.	.	H	α-helix	trans	-62.2	-27.5	179.5	-70	73.5	-164.2	0	0	113	M150 V153 V158 A159 L233 W283	M150-E155 HydrophobicContact CE-CB 3.7Å; V153-E155 HydrophobicContact CG2-CB 4.11Å; V153-E155 PolarHBondContact O-N 3.1Å; E155-V158 PolarHBondContact O-N 2.86Å; E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 2.86Å; E155-L233 HydrophobicContact CB-CD2 3.88Å; E155-L233 HydrophobicContact CG-CD1 3.95Å; E155-L233 HydrophobicContact CG-CD2 3.98Å; E155-W283 HydrophobicContact CB-CH2 4.21Å; E155-W283 HydrophobicContact CB-CZ2 3.87Å; E155-W283 HydrophobicContact CG-CZ2 3.89Å
156	L	98.8	Very high	98.4	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-64	-44.5	172.2	170.9	53.2	0	0	0	110.7	I148 M150 P151 M152 V153 V154 V158 A159 M160 I172 I353	I148-L156 HydrophobicContact CG2-CD1 3.5Å; M150-L156 HydrophobicContact CB-CB 4.14Å; M150-L156 HydrophobicContact CB-CD1 4.22Å; P151-L156 VanDerWaalsContact O-CD2 3.31Å; P151-L156 WeakPolarHBondContact O-CD2 3.09Å; M152-L156 HydrophobicContact SD-CD2 4.19Å; V153-L156 HydrophobicContact CG2-CB 4.46Å; V153-L156 WeakPolarHBondContact O-CB 3.47Å; V153-L156 PolarHBondContact O-N 3.36Å; V153-L156 VanDerWaalsContact O-N 3.09Å; V154-L156 PolarHBondContact O-N 3.03Å; L156-V158 VanDerWaalsContact C-N 3.33Å; L156-A159 PolarHBondContact O-N 3.45Å; L156-M160 WeakPolarHBondContact O-CB 3.43Å; L156-M160 PolarHBondContact O-N 2.78Å; L156-I172 HydrophobicContact CD1-CD1 4.27Å; L156-I172 HydrophobicContact CD1-CG2 4.22Å; L156-I353 HydrophobicContact CD1-CG2 4.29Å; L156-I353 HydrophobicContact CD2-CB 3.79Å; L156-I353 HydrophobicContact CD2-CD1 4.09Å; L156-I353 HydrophobicContact CD2-CG1 4.48Å; L156-I353 HydrophobicContact CD2-CG2 4.13Å; L156-I353 HydrophobicContact CG-CB 4.25Å; L156-I353 HydrophobicContact CG-CD1 4.09Å; L156-I353 HydrophobicContact CG-CG2 4.11Å
157	V	98.8	Very high	98.4	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63.7	-41.8	174.5	-178.5	0	0	0	0	110.5	F106 L124 V154 M160 L161 I353 T363 L367 L375	F106-V157 HydrophobicContact CE2-CG1 3.89Å; F106-V157 HydrophobicContact CE2-CG2 4.38Å; F106-V157 HydrophobicContact CZ-CG1 4.22Å; F106-V157 HydrophobicContact CZ-CG2 4.29Å; L124-V157 HydrophobicContact CD1-CG1 4.45Å; V154-V157 WeakPolarHBondContact O-CB 3.47Å; V154-V157 PolarHBondContact O-N 2.87Å; V157-M160 PolarHBondContact O-N 2.78Å; V157-L161 HydrophobicContact CG1-CD1 3.78Å; V157-L161 HydrophobicContact CG1-CG 4.24Å; V157-L161 WeakPolarHBondContact O-CB 3.49Å; V157-L161 WeakPolarHBondContact O-CG 3.4Å; V157-L161 PolarHBondContact O-N 2.75Å; V157-I353 HydrophobicContact CG2-CD1 3.68Å; V157-T363 HydrophobicContact CG1-CG2 4.04Å; V157-L367 HydrophobicContact CG1-CD1 4.43Å; V157-L375 HydrophobicContact CG2-CD2 4.14Å
158	V	98.9	Very high	98.4	Very high	2 Å²	2	3.8 Å²	3.8	1%	0.012	2%	0.021	C	C	.	.	H	α-helix	trans	-61	-47.2	177.1	172	0	0	0	0	111.3	L124 K127 V128 F131 V154 E155 L156 L161 A162 W283	L124-V158 HydrophobicContact CD1-CG2 3.92Å; K127-V158 HydrophobicContact CB-CG1 4.19Å; K127-V158 HydrophobicContact CB-CG2 3.78Å; K127-V158 HydrophobicContact CD-CG2 4.39Å; K127-V158 WeakPolarHBondContact O-CG1 3.48Å; V128-V158 HydrophobicContact CG2-CB 4.38Å; V128-V158 HydrophobicContact CG2-CG1 4.24Å; V128-V158 HydrophobicContact CG2-CG2 4.35Å; F131-V158 HydrophobicContact CB-CG1 3.71Å; F131-V158 HydrophobicContact CD1-CG1 4.47Å; F131-V158 HydrophobicContact CG-CG1 4.28Å; V154-V158 HydrophobicContact CG1-CG2 4.25Å; V154-V158 WeakPolarHBondContact O-CG2 3.32Å; V154-V158 PolarHBondContact O-N 2.83Å; E155-V158 PolarHBondContact O-N 2.86Å; L156-V158 VanDerWaalsContact C-N 3.33Å; V158-L161 PolarHBondContact O-N 2.97Å; V158-A162 WeakPolarHBondContact O-CB 3.4Å; V158-A162 PolarHBondContact O-N 3.43Å; V158-W283 HydrophobicContact CB-CZ2 4.39Å; V158-W283 HydrophobicContact CG1-CH2 4.2Å; V158-W283 HydrophobicContact CG1-CZ2 3.96Å
159	A	98.9	Very high	98.4	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-61.5	-45.8	179.3	0	0	0	0	0	112	F131 I148 M150 E155 L156 A162 C163 I195 W283	F131-A159 HydrophobicContact CD1-CB 4.32Å; F131-A159 HydrophobicContact CE1-CB 3.9Å; I148-A159 HydrophobicContact CD1-CB 3.92Å; I148-A159 HydrophobicContact CG2-CB 4.39Å; M150-A159 HydrophobicContact SD-CB 4.4Å; E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 2.86Å; L156-A159 PolarHBondContact O-N 3.45Å; A159-A162 PolarHBondContact O-N 3.45Å; A159-C163 PolarHBondContact O-N 3.13Å; A159-C163 VanDerWaalsContact O-N 3.09Å; A159-C163 PolarHBondContact O-SG 2.92Å; A159-I195 HydrophobicContact CB-CD1 3.96Å; A159-W283 HydrophobicContact CB-CH2 3.98Å; A159-W283 HydrophobicContact CB-CZ3 4.12Å
160	M	98.9	Very high	98.5	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-60.1	-49.7	177.4	178.7	179.7	170.7	0	0	111.9	I148 L156 V157 C163 A164 I172 I353 H359 T363 Y364	I148-M160 HydrophobicContact CD1-CB 4.47Å; L156-M160 WeakPolarHBondContact O-CB 3.43Å; L156-M160 PolarHBondContact O-N 2.78Å; V157-M160 PolarHBondContact O-N 2.78Å; M160-C163 PolarHBondContact O-N 3.49Å; M160-A164 PolarHBondContact O-N 2.84Å; M160-I172 HydrophobicContact CB-CD1 4.15Å; M160-I172 HydrophobicContact CG-CD1 3.95Å; M160-I172 HydrophobicContact SD-CD1 3.75Å; M160-I353 HydrophobicContact SD-CG2 3.84Å; M160-H359 HydrophobicContact CE-CB 4.21Å; M160-T363 HydrophobicContact CE-CG2 3.84Å; M160-T363 HydrophobicContact SD-CG2 3.86Å; M160-Y364 HydrophobicContact CE-CD2 3.41Å; M160-Y364 VanDerWaalsContact CE-CD2 3.41Å; M160-Y364 HydrophobicContact CE-CE1 4.37Å; M160-Y364 HydrophobicContact CE-CE2 2.94Å; M160-Y364 HydrophobicContact CE-CG 4.33Å; M160-Y364 VanDerWaalsContact CE-CZ 3.46Å
161	L	98.9	Very high	98.5	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-72.1	-32	-179.6	-66.6	178.7	0	0	0	112.9	L90 L91 L124 V128 V157 V158 A164 R165 T363 Y364 L367	L90-L161 HydrophobicContact CD2-CD2 3.66Å; L91-L161 HydrophobicContact CD1-CD1 4.05Å; L91-L161 HydrophobicContact CD2-CD1 4.47Å; L91-L161 HydrophobicContact CG-CD1 4.47Å; L124-L161 HydrophobicContact CD2-CD1 4.45Å; V128-L161 HydrophobicContact CG1-CB 4.04Å; V128-L161 HydrophobicContact CG2-CB 3.79Å; V128-L161 HydrophobicContact CG2-CD1 4.26Å; V157-L161 HydrophobicContact CG1-CD1 3.78Å; V157-L161 HydrophobicContact CG1-CG 4.24Å; V157-L161 WeakPolarHBondContact O-CB 3.49Å; V157-L161 WeakPolarHBondContact O-CG 3.4Å; V157-L161 PolarHBondContact O-N 2.75Å; V158-L161 PolarHBondContact O-N 2.97Å; L161-A164 PolarHBondContact O-N 3.17Å; L161-R165 WeakPolarHBondContact O-CB 3.28Å; L161-R165 PolarHBondContact O-N 2.81Å; L161-T363 HydrophobicContact CD1-CG2 4.43Å; L161-T363 HydrophobicContact CD2-CG2 3.82Å; L161-T363 HydrophobicContact CG-CG2 4.12Å; L161-Y364 HydrophobicContact CD2-CE1 4.2Å; L161-L367 HydrophobicContact CD1-CD1 3.71Å
162	A	98.9	Very high	98.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65	-40.4	174.6	0	0	0	0	0	111.9	V128 F131 A132 L135 V158 A159 R165 I166	V128-A162 HydrophobicContact CG1-CB 4.43Å; F131-A162 HydrophobicContact CB-CB 4.14Å; F131-A162 HydrophobicContact CD1-CB 3.65Å; F131-A162 HydrophobicContact CG-CB 4.38Å; A132-A162 HydrophobicContact CB-CB 4.11Å; L135-A162 HydrophobicContact CD1-CB 4Å; V158-A162 WeakPolarHBondContact O-CB 3.4Å; V158-A162 PolarHBondContact O-N 3.43Å; A159-A162 PolarHBondContact O-N 3.45Å; A162-R165 WeakPolarHBondContact O-CB 3.38Å; A162-R165 PolarHBondContact O-N 3.47Å; A162-I166 WeakPolarHBondContact O-CG1 3.43Å; A162-I166 PolarHBondContact O-N 3.36Å
163	C	98.9	Very high	98.1	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-59.8	-51.2	172.5	-68.2	0	0	0	0	110.5	A159 M160 R165 I166 G167 A168 H170	A159-C163 PolarHBondContact O-N 3.13Å; A159-C163 VanDerWaalsContact O-N 3.09Å; A159-C163 PolarHBondContact O-SG 2.92Å; M160-C163 PolarHBondContact O-N 3.49Å; C163-R165 VanDerWaalsContact C-N 3.26Å; C163-R165 PolarHBondContact O-N 3.32Å; C163-I166 WeakPolarHBondContact O-CG1 3.46Å; C163-I166 PolarHBondContact O-N 3.01Å; C163-G167 PolarHBondContact O-N 3.38Å; C163-A168 CarbonylContact C-O 3.33Å; C163-A168 HydrophobicContact CB-CB 4.18Å; C163-A168 PolarHBondContact O-N 3.47Å; C163-H170 HydrophobicContact CB-CB 3.86Å
164	A	98.8	Very high	97.3	Very high	4 Å²	4	4.7 Å²	4.7	3%	0.033	3%	0.025	C	C	.	.	H	α-helix	trans	-61.7	-32.4	178	0	0	0	0	0	113.1	N85 I86 M160 L161 I166 G167 L305	N85-A164 PolarHBondContact ND2-O 3.24Å; N85-A164 VanDerWaalsContact ND2-O 3.15Å; I86-A164 HydrophobicContact CG2-CB 3.64Å; M160-A164 PolarHBondContact O-N 2.84Å; L161-A164 PolarHBondContact O-N 3.17Å; A164-I166 VanDerWaalsContact C-N 3.35Å; A164-I166 PolarHBondContact O-N 2.73Å; A164-G167 PolarHBondContact O-N 3.26Å; A164-L305 HydrophobicContact CB-CD1 3.93Å
165	R	98.8	Very high	96.3	Very high	4 Å²	4	4.7 Å²	4.7	2%	0.015	3%	0.025	C	C	.	.	H	α-helix	trans	-63.8	-38.4	176.7	-170.3	175.7	-168.5	82.7	-0.5	112.4	N85 C87 D92 C129 A132 L161 A162 C163 C294 P296 E297	N85-R165 PolarHBondContact ND2-O 3.01Å; C87-R165 HydrophobicContact CB-CB 3.82Å; C87-R165 HydrophobicContact CB-CG 4.3Å; D92-R165 IonicContact OD1-CZ 3.76Å; D92-R165 IonicContact OD1-NH1 3.86Å; D92-R165 PolarHBondContact OD1-NH1 2.83Å; D92-R165 IonicContact OD1-NH2 3.38Å; D92-R165 PolarHBondContact OD1-NH2 3.24Å; D92-R165 IonicContact OD2-CZ 3.83Å; D92-R165 IonicContact OD2-NH1 3.89Å; D92-R165 PolarHBondContact OD2-NH1 3.16Å; D92-R165 IonicContact OD2-NH2 2.91Å; C129-R165 VanDerWaalsContact SG-CZ 3.59Å; A132-R165 HydrophobicContact CB-CB 4.44Å; L161-R165 WeakPolarHBondContact O-CB 3.28Å; L161-R165 PolarHBondContact O-N 2.81Å; A162-R165 WeakPolarHBondContact O-CB 3.38Å; A162-R165 PolarHBondContact O-N 3.47Å; C163-R165 VanDerWaalsContact C-N 3.26Å; C163-R165 PolarHBondContact O-N 3.32Å; R165-C294 PolarHBondContact NE-O 2.84Å; R165-C294 PolarHBondContact NH2-O 3.35Å; R165-P296 HydrophobicContact CG-CB 4.23Å; R165-E297 PolarHBondContact O-N 3Å
166	I	98.8	Very high	94.9	Very high	7 Å²	7	3.2 Å²	3.2	4%	0.036	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.8	-177.5	70.3	176.2	0	0	0	112.9	A132 L135 K136 V140 A162 C163 A164 A168	A132-I166 HydrophobicContact CB-CG2 3.73Å; L135-I166 HydrophobicContact CB-CD1 3.67Å; L135-I166 HydrophobicContact CD1-CD1 4.12Å; K136-I166 HydrophobicContact CD-CG2 3.91Å; K136-I166 HydrophobicContact CG-CD1 4.27Å; K136-I166 HydrophobicContact CG-CG2 4.05Å; V140-I166 HydrophobicContact CB-CD1 4.16Å; V140-I166 HydrophobicContact CG1-CD1 3.8Å; A162-I166 WeakPolarHBondContact O-CG1 3.43Å; A162-I166 PolarHBondContact O-N 3.36Å; C163-I166 WeakPolarHBondContact O-CG1 3.46Å; C163-I166 PolarHBondContact O-N 3.01Å; A164-I166 VanDerWaalsContact C-N 3.35Å; A164-I166 PolarHBondContact O-N 2.73Å; I166-A168 HydrophobicContact CD1-CB 4.18Å; I166-A168 HydrophobicContact CG1-CB 3.86Å; I166-A168 PolarHBondContact O-N 3.41Å
167	G	98.6	Very high	93.7	Very high	8 Å²	8	4.6 Å²	4.6	8%	0.082	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	18.1	-177.8	0	0	0	0	0	114.1	K142 G143 C163 A164	K142-G167 CarbonylContact C-O 3.55Å; K142-G167 WeakPolarHBondContact CA-O 3.44Å; G143-G167 PolarHBondContact N-O 3.09Å; C163-G167 PolarHBondContact O-N 3.38Å; A164-G167 PolarHBondContact O-N 3.26Å
168	A	98.8	Very high	92.6	Very high	1 Å²	1	6 Å²	6	1%	0.008	4%	0.037	C	C	.	.			trans	-79.8	148.3	171.5	0	0	0	0	0	110.4	V140 D144 V146 C163 I166	V140-A168 HydrophobicContact CG1-CB 3.71Å; D144-A168 CarbonylContact O-C 3.56Å; D144-A168 WeakPolarHBondContact O-CA 3.32Å; V146-A168 HydrophobicContact CG2-CB 4.39Å; C163-A168 CarbonylContact C-O 3.33Å; C163-A168 HydrophobicContact CB-CB 4.18Å; C163-A168 PolarHBondContact O-N 3.47Å; I166-A168 HydrophobicContact CD1-CB 4.18Å; I166-A168 HydrophobicContact CG1-CB 3.86Å; I166-A168 PolarHBondContact O-N 3.41Å
169	V	98.8	Very high	91.7	Very high	4 Å²	4	6 Å²	6	2%	0.024	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	103.6	-176.2	-173.2	0	0	0	0	108.6	D144 R145 V146 P304 I307	D144-V169 PolarHBondContact O-N 3.4Å; R145-V169 CarbonylContact C-O 3.37Å; R145-V169 WeakPolarHBondContact CA-O 3.47Å; R145-V169 HydrophobicContact CG-CB 3.95Å; R145-V169 HydrophobicContact CG-CG1 4.18Å; V146-V169 PolarHBondContact N-O 2.69Å; V169-P304 HydrophobicContact CG1-CB 4.3Å; V169-P304 HydrophobicContact CG2-CB 3.61Å; V169-I307 HydrophobicContact CG1-CD1 3.94Å; V169-I307 HydrophobicContact CG1-CG1 3.81Å
170	H	98.8	Very high	90.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.6	177.7	64.9	88.5	0	0	0	111.3	V146 I148 C163 I172 F306 I307 H359 Y364	V146-H170 CarbonylContact O-C 3.56Å; V146-H170 WeakPolarHBondContact O-CA 3.45Å; I148-H170 HydrophobicContact CD1-CB 3.87Å; C163-H170 HydrophobicContact CB-CB 3.86Å; H170-I172 WeakPolarHBondContact ND1-CG1 3.45Å; H170-F306 WeakPolarHBondContact CE1-CB 3.45Å; H170-F306 AromaticContact CE1-CG 3.78Å; H170-F306 VanDerWaalsContact NE2-CB 3.33Å; H170-F306 WeakPolarHBondContact NE2-CB 3.44Å; H170-F306 VanDerWaalsContact O-CA 3.29Å; H170-F306 WeakPolarHBondContact O-CA 3.29Å; H170-F306 WeakPolarHBondContact O-CB 3.33Å; H170-I307 PolarHBondContact O-N 2.93Å; H170-H359 AromaticContact CE1-CD2 3.71Å; H170-H359 AromaticContact CE1-NE2 3.62Å; H170-H359 AromaticContact ND1-NE2 3.97Å; H170-Y364 AromaticContact NE2-CZ 3.94Å; H170-Y364 PolarHBondContact NE2-OH 3.31Å
171	S	98.4	Very high	89.8	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	88.6	178.4	179.4	0	0	0	0	108.4	V146 S147 I148 I307	V146-S171 PolarHBondContact O-N 3.19Å; S147-S171 WeakPolarHBondContact CA-O 3.42Å; I148-S171 PolarHBondContact N-O 2.94Å; S171-I307 WeakPolarHBondContact CA-O 3.44Å
172	I	97.8	Very high	89.1	Confident	4 Å²	4	9.1 Å²	9.1	2%	0.021	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.3	-175.4	-49.2	-171.6	0	0	0	109.6	I148 L156 M160 H170 I353	I148-I172 HydrophobicContact CB-CG1 4.18Å; I148-I172 HydrophobicContact CD1-CD1 4.5Å; I148-I172 HydrophobicContact CD1-CG1 4.22Å; I148-I172 WeakPolarHBondContact O-CA 3.46Å; L156-I172 HydrophobicContact CD1-CD1 4.27Å; L156-I172 HydrophobicContact CD1-CG2 4.22Å; M160-I172 HydrophobicContact CB-CD1 4.15Å; M160-I172 HydrophobicContact CG-CD1 3.95Å; M160-I172 HydrophobicContact SD-CD1 3.75Å; H170-I172 WeakPolarHBondContact ND1-CG1 3.45Å; I172-I353 HydrophobicContact CD1-CG2 3.62Å
173	V	86.5	Confident	88.7	Confident	3 Å²	3	9.1 Å²	9.1	2%	0.018	5%	0.053	C	C	.	.			trans	-114.6	127.2	177.3	-175.4	0	0	0	0	108.4	I148 Y149 A175 F177 L182 R185	I148-V173 PolarHBondContact O-N 2.89Å; Y149-V173 HydrophobicContact CD2-CB 3.94Å; Y149-V173 HydrophobicContact CD2-CG1 3.95Å; Y149-V173 WeakPolarHBondContact CD2-O 3.24Å; Y149-V173 HydrophobicContact CE2-CG1 4.2Å; V173-A175 PolarHBondContact O-N 3.42Å; V173-F177 HydrophobicContact CG1-CB 4.24Å; V173-F177 HydrophobicContact CG1-CD2 3.73Å; V173-F177 HydrophobicContact CG1-CG 4.37Å; V173-L182 HydrophobicContact CB-CD1 4.02Å; V173-L182 HydrophobicContact CG1-CD1 4.1Å; V173-L182 HydrophobicContact CG2-CD1 3.9Å; V173-R185 HydrophobicContact CG2-CB 4.18Å
174	F	81.9	Confident	88	Confident	21 Å²	21	12.8 Å²	12.8	9%	0.092	7%	0.07	C	C	.	.			trans	-56.7	125	179.4	175	-119.8	0	0	0	111.4	Y149 G176 F177 D352 W355	Y149-F174 VanDerWaalsContact CE2-O 3.3Å; Y149-F174 WeakPolarHBondContact CE2-O 3.41Å; F174-G176 PolarHBondContact O-N 3.46Å; F174-F177 HydrophobicContact CB-CD1 4.26Å; F174-F177 HydrophobicContact CB-CE1 4.22Å; F174-F177 HydrophobicContact CB-CG 4.48Å; F174-F177 HydrophobicContact CB-CZ 4.39Å; F174-F177 AromaticContact CD1-CD1 3.76Å; F174-F177 HydrophobicContact CD1-CD1 3.76Å; F174-F177 AromaticContact CD1-CE1 3.84Å; F174-F177 HydrophobicContact CD1-CE1 3.84Å; F174-F177 WeakPolarHBondContact O-CB 3.21Å; F174-F177 PolarHBondContact O-N 3.22Å; F174-D352 HydrophobicContact CD2-CB 4.16Å; F174-D352 WeakPolarHBondContact CD2-OD1 3.36Å; F174-D352 HydrophobicContact CE2-CB 3.98Å; F174-D352 VanDerWaalsContact CE2-OD2 3.31Å; F174-D352 WeakPolarHBondContact CE2-OD2 3.49Å; F174-W355 HydrophobicContact CD1-CZ2 4.38Å; F174-W355 AromaticContact CD2-NE1 3.82Å; F174-W355 HydrophobicContact CG-CZ2 4.48Å
175	A	75.6	Confident	87.5	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.008	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-5.3	-176.4	0	0	0	0	0	115.3	Y149 M150 V173 F200 L209	Y149-A175 PolarHBondContact OH-O 3.24Å; M150-A175 WeakPolarHBondContact O-CB 3.24Å; V173-A175 PolarHBondContact O-N 3.42Å; A175-F200 HydrophobicContact CB-CE1 3.93Å; A175-F200 HydrophobicContact CB-CZ 4.15Å; A175-L209 HydrophobicContact CB-CD1 4.34Å; A175-L209 HydrophobicContact CB-CD2 3.94Å; A175-L209 WeakPolarHBondContact O-CD2 3.29Å
176	G	70.8	Confident	87.4	Confident	9 Å²	9	13.1 Å²	13.1	9%	0.093	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.6	172	0	0	0	0	0	115.3	F174 R652	F174-G176 PolarHBondContact O-N 3.46Å; G176-R652 PolarHBondContact O-NH1 3.43Å
177	F	72.6	Confident	87.2	Confident	28 Å²	28	14.7 Å²	14.7	12%	0.123	8%	0.078	C	C	.	.	S	Bend	trans	-78.6	164.9	-178.6	-78.2	5.8	0	0	0	113.6	Y149 V173 F174 W355 T676	Y149-F177 PolarHBondContact OH-O 2.81Å; V173-F177 HydrophobicContact CG1-CB 4.24Å; V173-F177 HydrophobicContact CG1-CD2 3.73Å; V173-F177 HydrophobicContact CG1-CG 4.37Å; F174-F177 HydrophobicContact CB-CD1 4.26Å; F174-F177 HydrophobicContact CB-CE1 4.22Å; F174-F177 HydrophobicContact CB-CG 4.48Å; F174-F177 HydrophobicContact CB-CZ 4.39Å; F174-F177 AromaticContact CD1-CD1 3.76Å; F174-F177 HydrophobicContact CD1-CD1 3.76Å; F174-F177 AromaticContact CD1-CE1 3.84Å; F174-F177 HydrophobicContact CD1-CE1 3.84Å; F174-F177 WeakPolarHBondContact O-CB 3.21Å; F174-F177 PolarHBondContact O-N 3.22Å; F177-W355 HydrophobicContact CZ-CH2 4.25Å; F177-T676 HydrophobicContact CD1-CG2 4.29Å; F177-T676 HydrophobicContact CE1-CG2 4.24Å
178	S	76.2	Confident	86.9	Confident	30 Å²	30	18 Å²	18	21%	0.21	9%	0.094	C	C	.	.			trans	-81.8	164	177.5	64.6	0	0	0	0	111.7	E180 S181 L182	S178-E180 PolarHBondContact O-N 3.46Å; S178-S181 PolarHBondContact O-N 2.78Å; S178-S181 PolarHBondContact OG-N 2.82Å; S178-L182 PolarHBondContact O-N 3.27Å
179	A	80.4	Confident	86.7	Confident	2 Å²	2	18 Å²	18	2%	0.017	9%	0.094	C	C	.	.	H	α-helix	trans	-58	-36.6	172.4	0	0	0	0	0	112.7	L182 C183 L212 E215 A216 K219	A179-L182 PolarHBondContact O-N 3.34Å; A179-C183 VanDerWaalsContact O-CB 3.28Å; A179-C183 WeakPolarHBondContact O-CB 3.48Å; A179-C183 PolarHBondContact O-N 3.45Å; A179-L212 WeakPolarHBondContact CB-O 3.42Å; A179-E215 HydrophobicContact CB-CB 3.66Å; A179-E215 VanDerWaalsContact CB-CD 3.45Å; A179-E215 HydrophobicContact CB-CG 3.69Å; A179-A216 HydrophobicContact CB-CB 4.2Å; A179-A216 VanDerWaalsContact O-CB 3.27Å; A179-A216 WeakPolarHBondContact O-CB 3.46Å; A179-K219 HydrophobicContact CB-CD 4.46Å
180	E	79.5	Confident	86.6	Confident	59 Å²	59	22 Å²	22	28%	0.276	11%	0.112	S	C	.	.	H	α-helix	trans	-64.4	-49.7	175.7	-169.4	64.4	-143.9	0	0	111.2	S178 L182 C183 E184 K219 K223	S178-E180 PolarHBondContact O-N 3.46Å; E180-L182 VanDerWaalsContact C-N 3.26Å; E180-L182 PolarHBondContact O-N 3.42Å; E180-C183 WeakPolarHBondContact O-CB 3.43Å; E180-C183 PolarHBondContact O-N 3.45Å; E180-C183 VanDerWaalsContact O-N 3.17Å; E180-E184 WeakPolarHBondContact O-CG 3.27Å; E180-E184 PolarHBondContact O-N 3.37Å; E180-K219 WeakPolarHBondContact OE2-CD 3.45Å; E180-K219 WeakPolarHBondContact OE2-CE 3.33Å; E180-K219 IonicContact OE2-NZ 3.41Å; E180-K219 PolarHBondContact OE2-NZ 2.97Å; E180-K223 IonicContact OE1-NZ 3.29Å; E180-K223 PolarHBondContact OE1-NZ 3.18Å
181	S	77	Confident	86.5	Confident	7 Å²	7	22.2 Å²	22.2	5%	0.049	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-36.7	177.4	-88.8	0	0	0	0	112.8	S178 R185	S178-S181 PolarHBondContact O-N 2.78Å; S178-S181 PolarHBondContact OG-N 2.82Å; S181-R185 WeakPolarHBondContact O-CD 3.26Å; S181-R185 VanDerWaalsContact O-CG 3.28Å; S181-R185 WeakPolarHBondContact O-CG 3.27Å; S181-R185 PolarHBondContact O-N 2.93Å; S181-R185 PolarHBondContact O-NH1 2.8Å
182	L	84.5	Confident	86.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.8	-48.7	174.6	177.5	58.2	0	0	0	111.1	Y149 V173 S178 A179 E180 E184 R185 I186 L194 A216	Y149-L182 HydrophobicContact CD1-CD2 3.74Å; Y149-L182 HydrophobicContact CD2-CD1 4.17Å; Y149-L182 HydrophobicContact CD2-CD2 4.3Å; Y149-L182 HydrophobicContact CE1-CD2 4.08Å; Y149-L182 HydrophobicContact CG-CD1 4.16Å; Y149-L182 HydrophobicContact CG-CD2 3.87Å; V173-L182 HydrophobicContact CB-CD1 4.02Å; V173-L182 HydrophobicContact CG1-CD1 4.1Å; V173-L182 HydrophobicContact CG2-CD1 3.9Å; S178-L182 PolarHBondContact O-N 3.27Å; A179-L182 PolarHBondContact O-N 3.34Å; E180-L182 VanDerWaalsContact C-N 3.26Å; E180-L182 PolarHBondContact O-N 3.42Å; L182-E184 PolarHBondContact O-N 2.91Å; L182-R185 PolarHBondContact O-N 2.94Å; L182-I186 HydrophobicContact CD1-CD1 3.84Å; L182-I186 HydrophobicContact CD1-CG1 4.13Å; L182-I186 HydrophobicContact CG-CD1 3.77Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 WeakPolarHBondContact O-CG1 3.28Å; L182-I186 PolarHBondContact O-N 2.69Å; L182-L194 HydrophobicContact CD1-CD1 4.33Å; L182-L194 HydrophobicContact CD2-CD2 4.46Å; L182-A216 HydrophobicContact CB-CB 3.99Å; L182-A216 HydrophobicContact CD2-CB 3.72Å; L182-A216 HydrophobicContact CG-CB 3.84Å
183	C	91	Very high	86.4	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.2	-48.6	177.7	169.7	0	0	0	0	112.5	A179 E180 R185 I186 I187 A216 K219	A179-C183 VanDerWaalsContact O-CB 3.28Å; A179-C183 WeakPolarHBondContact O-CB 3.48Å; A179-C183 PolarHBondContact O-N 3.45Å; E180-C183 WeakPolarHBondContact O-CB 3.43Å; E180-C183 PolarHBondContact O-N 3.45Å; E180-C183 VanDerWaalsContact O-N 3.17Å; C183-R185 VanDerWaalsContact C-N 3.28Å; C183-R185 PolarHBondContact O-N 3.19Å; C183-I186 PolarHBondContact O-N 3.19Å; C183-I187 WeakPolarHBondContact O-CG1 3.01Å; C183-I187 PolarHBondContact O-N 3.16Å; C183-A216 HydrophobicContact CB-CB 4.28Å; C183-K219 HydrophobicContact CB-CB 4.04Å
184	E	84.5	Confident	87	Confident	76 Å²	76	24.4 Å²	24.4	36%	0.355	13%	0.129	S	C	.	.	H	α-helix	trans	-57.6	-41.2	179.3	-72.7	-176.5	161.6	0	0	112.3	E180 L182 D188	E180-E184 WeakPolarHBondContact O-CG 3.27Å; E180-E184 PolarHBondContact O-N 3.37Å; L182-E184 PolarHBondContact O-N 2.91Å; E184-D188 VanDerWaalsContact O-CB 3.23Å; E184-D188 WeakPolarHBondContact O-CB 3.35Å; E184-D188 PolarHBondContact O-N 2.82Å
185	R	88.4	Confident	87.8	Confident	15 Å²	15	23.4 Å²	23.4	6%	0.057	13%	0.125	C	C	.	.	H	α-helix	trans	-72.6	-40.2	-179.8	-68.4	170.9	172.5	65	4	112.2	V173 S181 L182 C183 I187 D188 S189 Y309	V173-R185 HydrophobicContact CG2-CB 4.18Å; S181-R185 WeakPolarHBondContact O-CD 3.26Å; S181-R185 VanDerWaalsContact O-CG 3.28Å; S181-R185 WeakPolarHBondContact O-CG 3.27Å; S181-R185 PolarHBondContact O-N 2.93Å; S181-R185 PolarHBondContact O-NH1 2.8Å; L182-R185 PolarHBondContact O-N 2.94Å; C183-R185 VanDerWaalsContact C-N 3.28Å; C183-R185 PolarHBondContact O-N 3.19Å; R185-I187 VanDerWaalsContact C-N 3.32Å; R185-D188 PolarHBondContact O-N 3.1Å; R185-S189 WeakPolarHBondContact O-CB 3.23Å; R185-S189 PolarHBondContact O-N 3.35Å; R185-S189 PolarHBondContact O-OG 3.09Å; R185-Y309 HydrophobicContact CB-CD2 3.83Å; R185-Y309 HydrophobicContact CB-CE2 3.92Å; R185-Y309 HydrophobicContact CB-CG 4.26Å; R185-Y309 HydrophobicContact CG-CD1 4Å; R185-Y309 HydrophobicContact CG-CD2 3.67Å; R185-Y309 HydrophobicContact CG-CE1 4.45Å; R185-Y309 HydrophobicContact CG-CE2 4.15Å; R185-Y309 HydrophobicContact CG-CG 3.59Å; R185-Y309 VanDerWaalsContact NE-CB 3.29Å
186	I	95.9	Very high	88.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-46.9	174.3	-74.3	171.2	0	0	0	110.5	L182 C183 Q190 C191 L194 F225 L227	L182-I186 HydrophobicContact CD1-CD1 3.84Å; L182-I186 HydrophobicContact CD1-CG1 4.13Å; L182-I186 HydrophobicContact CG-CD1 3.77Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 WeakPolarHBondContact O-CG1 3.28Å; L182-I186 PolarHBondContact O-N 2.69Å; C183-I186 PolarHBondContact O-N 3.19Å; I186-Q190 PolarHBondContact O-N 2.64Å; I186-Q190 VanDerWaalsContact O-N 3.1Å; I186-C191 HydrophobicContact CG2-CB 4.3Å; I186-C191 PolarHBondContact O-N 3.46Å; I186-L194 HydrophobicContact CD1-CD1 4.28Å; I186-L194 HydrophobicContact CD1-CD2 4.31Å; I186-F225 HydrophobicContact CG2-CD1 4.29Å; I186-F225 HydrophobicContact CG2-CE1 4.2Å; I186-L227 HydrophobicContact CG2-CD1 3.35Å; I186-L227 HydrophobicContact CG2-CD2 3.88Å; I186-L227 HydrophobicContact CG2-CG 4.26Å
187	I	95	Very high	90.1	Very high	41 Å²	41	22.9 Å²	22.9	21%	0.21	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-50.4	179.5	-66.2	172.5	0	0	0	110.2	C183 R185 S189 Q190 K223 F225	C183-I187 WeakPolarHBondContact O-CG1 3.01Å; C183-I187 PolarHBondContact O-N 3.16Å; R185-I187 VanDerWaalsContact C-N 3.32Å; I187-S189 VanDerWaalsContact C-N 3.32Å; I187-S189 PolarHBondContact O-N 2.83Å; I187-Q190 PolarHBondContact O-N 2.81Å; I187-Q190 PolarHBondContact O-NE2 2.83Å; I187-K223 HydrophobicContact CD1-CB 3.77Å; I187-K223 HydrophobicContact CD1-CD 3.58Å; I187-K223 HydrophobicContact CD1-CG 4.3Å; I187-F225 HydrophobicContact CD1-CB 4.49Å; I187-F225 HydrophobicContact CG1-CB 4.01Å; I187-F225 HydrophobicContact CG1-CD1 4.13Å; I187-F225 HydrophobicContact CG1-CG 4.22Å
188	D	93.1	Very high	91.1	Very high	78 Å²	78	21.6 Å²	21.6	42%	0.417	11%	0.114	S	C	.	.	H	α-helix	trans	-62.7	-38.7	-175.4	-173.2	86.7	0	0	0	112.3	E184 R185 Q190 Y309	E184-D188 VanDerWaalsContact O-CB 3.23Å; E184-D188 WeakPolarHBondContact O-CB 3.35Å; E184-D188 PolarHBondContact O-N 2.82Å; R185-D188 PolarHBondContact O-N 3.1Å; D188-Q190 VanDerWaalsContact C-N 3.27Å; D188-Q190 PolarHBondContact O-N 2.81Å; D188-Y309 VanDerWaalsContact C-OH 3.26Å; D188-Y309 HydrophobicContact CB-CE1 4.09Å; D188-Y309 VanDerWaalsContact CB-OH 3.32Å; D188-Y309 WeakPolarHBondContact CB-OH 3.37Å; D188-Y309 WeakPolarHBondContact OD2-CE1 3.46Å; D188-Y309 VanDerWaalsContact OD2-CZ 3.25Å; D188-Y309 PolarHBondContact OD2-OH 3.11Å
189	S	94.3	Very high	91.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.8	175.9	56.1	0	0	0	0	113.7	R145 R185 I187 C191 Y309	R145-S189 WeakPolarHBondContact CB-O 3.32Å; R145-S189 WeakPolarHBondContact CG-O 3.4Å; R145-S189 PolarHBondContact NE-O 3.49Å; R185-S189 WeakPolarHBondContact O-CB 3.23Å; R185-S189 PolarHBondContact O-N 3.35Å; R185-S189 PolarHBondContact O-OG 3.09Å; I187-S189 VanDerWaalsContact C-N 3.32Å; I187-S189 PolarHBondContact O-N 2.83Å; S189-C191 VanDerWaalsContact C-N 3.31Å; S189-C191 PolarHBondContact O-N 3.34Å; S189-C191 PolarHBondContact OG-SG 3.29Å; S189-Y309 WeakPolarHBondContact CA-OH 3.34Å; S189-Y309 VanDerWaalsContact CB-OH 3.29Å; S189-Y309 WeakPolarHBondContact CB-OH 3.45Å; S189-Y309 PolarHBondContact N-OH 2.99Å
190	Q	96.1	Very high	92.5	Very high	89 Å²	89	20.8 Å²	20.8	42%	0.416	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	49.7	-179.6	-60	-75.4	-64.4	0	0	111.2	R145 I186 I187 D188 F225	R145-Q190 PolarHBondContact NH2-O 3.36Å; I186-Q190 PolarHBondContact O-N 2.64Å; I186-Q190 VanDerWaalsContact O-N 3.1Å; I187-Q190 PolarHBondContact O-N 2.81Å; I187-Q190 PolarHBondContact O-NE2 2.83Å; D188-Q190 VanDerWaalsContact C-N 3.27Å; D188-Q190 PolarHBondContact O-N 2.81Å; Q190-F225 HydrophobicContact CB-CZ 4.28Å
191	C	97	Very high	93	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.02	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.3	-177.1	-73.9	0	0	0	0	112.2	R145 S147 I186 S189 F225	R145-C191 CarbonylContact O-C 3.43Å; R145-C191 VanDerWaalsContact O-CA 3.22Å; R145-C191 WeakPolarHBondContact O-CA 2.87Å; S147-C191 PolarHBondContact N-SG 2.86Å; I186-C191 HydrophobicContact CG2-CB 4.3Å; I186-C191 PolarHBondContact O-N 3.46Å; S189-C191 VanDerWaalsContact C-N 3.31Å; S189-C191 PolarHBondContact O-N 3.34Å; S189-C191 PolarHBondContact OG-SG 3.29Å; C191-F225 WeakPolarHBondContact O-CE1 3.27Å
192	S	96.3	Very high	93.2	Very high	51 Å²	51	22.3 Å²	22.3	36%	0.357	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-23.5	176	57.5	0	0	0	0	113	R145	R145-S192 PolarHBondContact O-N 3.15Å; R145-S192 PolarHBondContact O-OG 3.43Å
193	L	97.7	Very high	93.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.1	-173.8	-175.3	150.2	0	0	0	110.9	Q138 V146 S147 I195 T229 I231	Q138-L193 HydrophobicContact CB-CD1 4Å; Q138-L193 HydrophobicContact CG-CD1 4.29Å; V146-L193 HydrophobicContact CG1-CD2 4.03Å; S147-L193 PolarHBondContact N-O 2.84Å; L193-I195 HydrophobicContact CD2-CD1 4.26Å; L193-I195 HydrophobicContact CD2-CG1 3.43Å; L193-I195 VanDerWaalsContact CD2-CG1 3.43Å; L193-T229 HydrophobicContact CD1-CG2 3.38Å; L193-T229 HydrophobicContact CG-CG2 3.93Å; L193-I231 HydrophobicContact CD1-CD1 3.91Å; L193-I231 HydrophobicContact CD1-CG1 4.19Å; L193-I231 HydrophobicContact CD2-CD1 4.06Å; L193-I231 HydrophobicContact CD2-CG1 4.18Å
194	L	98.7	Very high	93.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.7	170	175.9	62	0	0	0	110.7	S147 L182 I186 A213 L217 L227 T229 C230 I231	S147-L194 CarbonylContact O-C 3.54Å; L182-L194 HydrophobicContact CD1-CD1 4.33Å; L182-L194 HydrophobicContact CD2-CD2 4.46Å; I186-L194 HydrophobicContact CD1-CD1 4.28Å; I186-L194 HydrophobicContact CD1-CD2 4.31Å; L194-A213 HydrophobicContact CD2-CB 3.92Å; L194-L217 HydrophobicContact CD2-CD1 4.31Å; L194-L217 HydrophobicContact CD2-CD2 4.03Å; L194-L217 HydrophobicContact CD2-CG 4.12Å; L194-L227 HydrophobicContact CB-CD2 4.01Å; L194-T229 PolarHBondContact N-O 2.89Å; L194-T229 VanDerWaalsContact N-O 3.12Å; L194-C230 CarbonylContact O-C 3.43Å; L194-C230 VanDerWaalsContact O-CA 3.26Å; L194-C230 WeakPolarHBondContact O-CA 3.21Å; L194-I231 PolarHBondContact O-N 3.12Å
195	I	98.8	Very high	93.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.9	169.6	-52.6	174	0	0	0	108	F131 L135 V146 S147 I148 Y149 M150 A159 L193 I231 W283	F131-I195 HydrophobicContact CE1-CD1 3.58Å; F131-I195 HydrophobicContact CZ-CD1 3.66Å; F131-I195 HydrophobicContact CZ-CG1 4.35Å; L135-I195 HydrophobicContact CD2-CD1 4.25Å; V146-I195 HydrophobicContact CG1-CD1 3.64Å; V146-I195 HydrophobicContact CG1-CG1 3.95Å; S147-I195 PolarHBondContact O-N 3.06Å; I148-I195 HydrophobicContact CG1-CD1 4.26Å; I148-I195 HydrophobicContact CG2-CB 4.5Å; Y149-I195 PolarHBondContact N-O 3.46Å; M150-I195 HydrophobicContact CG-CG2 4.28Å; M150-I195 HydrophobicContact SD-CG2 3.54Å; M150-I195 VanDerWaalsContact SD-CG2 3.54Å; A159-I195 HydrophobicContact CB-CD1 3.96Å; L193-I195 HydrophobicContact CD2-CD1 4.26Å; L193-I195 HydrophobicContact CD2-CG1 3.43Å; L193-I195 VanDerWaalsContact CD2-CG1 3.43Å; I195-I231 CarbonylContact C-O 3.6Å; I195-I231 WeakPolarHBondContact CA-O 3.46Å; I195-W283 HydrophobicContact CG2-CE3 4.08Å; I195-W283 HydrophobicContact CG2-CZ3 3.75Å
196	T	98.4	Very high	93.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-178	-178.1	-168	0	0	0	0	111.8	Y149 K210 A213 I231 M232 L233	Y149-T196 WeakPolarHBondContact O-CA 3.4Å; Y149-T196 PolarHBondContact O-OG1 2.97Å; T196-K210 HydrophobicContact CG2-CD 4.33Å; T196-A213 HydrophobicContact CG2-CB 4.04Å; T196-I231 PolarHBondContact N-O 3.29Å; T196-M232 HydrophobicContact CG2-CB 4.29Å; T196-M232 HydrophobicContact CG2-CG 4.13Å; T196-M232 CarbonylContact O-C 3.45Å; T196-M232 WeakPolarHBondContact O-CA 3.49Å; T196-L233 PolarHBondContact O-N 2.83Å
197	A	97.1	Very high	92.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	166.4	169.6	0	0	0	0	0	111.3	P151 L209 K210 L233 H235	P151-A197 HydrophobicContact CG-CB 4.37Å; A197-L209 HydrophobicContact CB-CD1 4.17Å; A197-L209 VanDerWaalsContact O-CB 3.31Å; A197-L209 WeakPolarHBondContact O-CB 3.41Å; A197-K210 PolarHBondContact O-N 2.89Å; A197-L233 CarbonylContact C-O 3.56Å; A197-L233 VanDerWaalsContact CA-O 3.23Å; A197-L233 WeakPolarHBondContact CA-O 3.37Å; A197-L233 HydrophobicContact CB-CB 4.05Å; A197-H235 HydrophobicContact CB-CB 4.38Å
198	D	94.4	Very high	92.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-59.9	-47.6	170.7	53	-1.3	0	0	0	111.7	N208 L209 K210 M232 L233 K234 H235 L236 S237 V273	D198-N208 PolarHBondContact O-OD1 3.17Å; D198-L209 PolarHBondContact O-N 3.4Å; D198-K210 PolarHBondContact O-N 3.21Å; D198-M232 HydrophobicContact CB-CE 4.18Å; D198-M232 HydrophobicContact CB-SD 4.32Å; D198-L233 PolarHBondContact N-O 3.04Å; D198-K234 WeakPolarHBondContact OD2-CA 3.49Å; D198-H235 VanDerWaalsContact CG-N 3.34Å; D198-H235 WeakPolarHBondContact OD1-CA 3.32Å; D198-H235 WeakPolarHBondContact OD1-CB 3.09Å; D198-H235 PolarHBondContact OD1-N 2.99Å; D198-H235 PolarHBondContact OD2-N 3.34Å; D198-L236 PolarHBondContact OD1-N 3.22Å; D198-L236 VanDerWaalsContact OD1-N 3.1Å; D198-L236 PolarHBondContact OD2-N 2.81Å; D198-S237 VanDerWaalsContact OD2-CB 3.24Å; D198-S237 WeakPolarHBondContact OD2-CB 3.45Å; D198-S237 PolarHBondContact OD2-N 2.61Å; D198-S237 PolarHBondContact OD2-OG 3.4Å; D198-V273 HydrophobicContact CB-CG1 4.17Å; D198-V273 HydrophobicContact CB-CG2 3.63Å
199	G	92.6	Very high	92.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.			trans	174.5	-175.9	173.8	0	0	0	0	0	111.7	I207 H235 L236	G199-I207 CarbonylContact C-O 3.57Å; G199-I207 WeakPolarHBondContact CA-O 3.2Å; G199-H235 PolarHBondContact O-CD2 3.41Å; G199-L236 WeakPolarHBondContact O-CG 2.95Å
200	F	92.6	Very high	92.4	Very high	15 Å²	15	29 Å²	29	7%	0.066	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166.1	173.1	72.1	-71.5	0	0	0	110.9	P151 A175 R202 I207 L209 E377	P151-F200 HydrophobicContact CB-CB 3.78Å; P151-F200 HydrophobicContact CB-CD1 3.71Å; P151-F200 HydrophobicContact CB-CD2 3.85Å; P151-F200 HydrophobicContact CB-CE1 4.2Å; P151-F200 HydrophobicContact CB-CE2 4.32Å; P151-F200 HydrophobicContact CB-CG 3.52Å; P151-F200 HydrophobicContact CB-CZ 4.48Å; P151-F200 HydrophobicContact CG-CB 4.03Å; P151-F200 HydrophobicContact CG-CD1 4.35Å; P151-F200 HydrophobicContact CG-CG 4.24Å; A175-F200 HydrophobicContact CB-CE1 3.93Å; A175-F200 HydrophobicContact CB-CZ 4.15Å; F200-R202 HydrophobicContact CE2-CB 4.03Å; F200-I207 HydrophobicContact CD1-CB 3.85Å; F200-I207 HydrophobicContact CD1-CG2 4.24Å; F200-I207 HydrophobicContact CE1-CB 3.56Å; F200-I207 HydrophobicContact CE1-CG1 3.98Å; F200-I207 HydrophobicContact CE1-CG2 3.64Å; F200-I207 HydrophobicContact CZ-CB 4.12Å; F200-I207 HydrophobicContact CZ-CG1 4Å; F200-I207 HydrophobicContact CZ-CG2 4.35Å; F200-I207 PolarHBondContact N-O 3.09Å; F200-I207 PolarHBondContact O-N 3.11Å; F200-L209 HydrophobicContact CD1-CD1 3.61Å; F200-L209 HydrophobicContact CD1-CD2 4.49Å; F200-L209 HydrophobicContact CD1-CG 3.95Å; F200-L209 HydrophobicContact CE1-CD1 3.88Å; F200-L209 HydrophobicContact CE1-CD2 4.08Å; F200-L209 HydrophobicContact CE1-CG 4.04Å; F200-E377 WeakPolarHBondContact CB-OE1 3.36Å
201	Y	89.4	Confident	92.2	Very high	20 Å²	20	29 Å²	29	8%	0.078	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.3	172.2	-77.7	-85.5	0	0	0	110.4	N111 K205 L206 L236 R268 P269	N111-Y201 PolarHBondContact OD1-O 3.38Å; Y201-K205 WeakPolarHBondContact CA-O 3.48Å; Y201-L206 HydrophobicContact CD1-CB 4.17Å; Y201-L206 HydrophobicContact CD2-CD1 4.39Å; Y201-L206 HydrophobicContact CE1-CB 3.66Å; Y201-L206 HydrophobicContact CE1-CD1 4.23Å; Y201-L206 HydrophobicContact CE1-CG 4.47Å; Y201-L206 HydrophobicContact CE2-CD1 3.94Å; Y201-L236 HydrophobicContact CD2-CD1 4.08Å; Y201-L236 HydrophobicContact CD2-CD2 3.78Å; Y201-L236 HydrophobicContact CE2-CD1 3.89Å; Y201-L236 HydrophobicContact CE2-CD2 4.07Å; Y201-R268 HydrophobicContact CE1-CB 4.41Å; Y201-R268 HydrophobicContact CE2-CB 3.95Å; Y201-R268 VanDerWaalsContact CG-NH1 3.3Å; Y201-P269 WeakPolarHBondContact OH-CD 3.28Å; Y201-P269 PolarHBondContact OH-O 3.04Å
202	R	81.9	Confident	91.9	Very high	79 Å²	79	30.9 Å²	30.9	30%	0.298	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	99.6	169.6	-167.5	174.3	-178.7	-146.3	-10	108.2	F200 D204 K205 L379 R652	F200-R202 HydrophobicContact CE2-CB 4.03Å; R202-D204 PolarHBondContact O-N 2.82Å; R202-K205 PolarHBondContact N-O 2.78Å; R202-K205 PolarHBondContact O-N 3.41Å; R202-L379 HydrophobicContact CG-CD1 3.96Å; R202-L379 HydrophobicContact CG-CD2 3.72Å; R202-L379 HydrophobicContact CG-CG 3.73Å; R202-L379 VanDerWaalsContact NE-CD2 3.31Å; R202-R652 PolarHBondContact NH1-O 2.92Å; R202-R652 VanDerWaalsContact NH1-O 3.13Å; R202-R652 PolarHBondContact NH2-O 3.49Å
203	G	88.3	Confident	91.9	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-123.9	-161.8	0	0	0	0	0	110	N111 R268	N111-G203 PolarHBondContact ND2-O 2.86Å; N111-G203 WeakPolarHBondContact OD1-CA 3.31Å; N111-G203 PolarHBondContact OD1-N 3.46Å; G203-R268 PolarHBondContact O-NH1 3.2Å
204	D	87.1	Confident	91.8	Very high	111 Å²	111	30.2 Å²	30.2	59%	0.594	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.9	175.7	-65.7	-42.3	0	0	0	113.9	R202 R268 Y382	R202-D204 PolarHBondContact O-N 2.82Å; D204-R268 IonicContact OD1-CZ 2.92Å; D204-R268 IonicContact OD1-NH2 2.73Å; D204-R268 PolarHBondContact OD1-NH2 3.12Å; D204-Y382 WeakPolarHBondContact OD1-CE2 3.44Å; D204-Y382 PolarHBondContact OD1-OH 3.3Å
205	K	83.8	Confident	91.6	Very high	125 Å²	125	35 Å²	35	54%	0.543	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.7	-175.2	-174.7	175.2	-179.6	173.2	0	111.3	Y201 R202 I207	Y201-K205 WeakPolarHBondContact CA-O 3.48Å; R202-K205 PolarHBondContact N-O 2.78Å; R202-K205 PolarHBondContact O-N 3.41Å; K205-I207 HydrophobicContact CD-CD1 4.11Å; K205-I207 HydrophobicContact CG-CD1 4.13Å
206	L	87.6	Confident	91.3	Very high	58 Å²	58	35 Å²	35	30%	0.304	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.3	169	178.5	61.8	0	0	0	110.5	Y201 L236 P271	Y201-L206 HydrophobicContact CD1-CB 4.17Å; Y201-L206 HydrophobicContact CD2-CD1 4.39Å; Y201-L206 HydrophobicContact CE1-CB 3.66Å; Y201-L206 HydrophobicContact CE1-CD1 4.23Å; Y201-L206 HydrophobicContact CE1-CG 4.47Å; Y201-L206 HydrophobicContact CE2-CD1 3.94Å; L206-L236 HydrophobicContact CD1-CD1 3.48Å; L206-L236 VanDerWaalsContact CD1-CD1 3.48Å; L206-P271 HydrophobicContact CD1-CG 4.46Å; L206-P271 HydrophobicContact CD2-CB 4.27Å
207	I	85.2	Confident	91.3	Very high	20 Å²	20	35.1 Å²	35.1	10%	0.103	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.7	168.2	-53.6	-60.9	0	0	0	107.9	G199 F200 K205 L209 L212	G199-I207 CarbonylContact C-O 3.57Å; G199-I207 WeakPolarHBondContact CA-O 3.2Å; F200-I207 HydrophobicContact CD1-CB 3.85Å; F200-I207 HydrophobicContact CD1-CG2 4.24Å; F200-I207 HydrophobicContact CE1-CB 3.56Å; F200-I207 HydrophobicContact CE1-CG1 3.98Å; F200-I207 HydrophobicContact CE1-CG2 3.64Å; F200-I207 HydrophobicContact CZ-CB 4.12Å; F200-I207 HydrophobicContact CZ-CG1 4Å; F200-I207 HydrophobicContact CZ-CG2 4.35Å; F200-I207 PolarHBondContact N-O 3.09Å; F200-I207 PolarHBondContact O-N 3.11Å; K205-I207 HydrophobicContact CD-CD1 4.11Å; K205-I207 HydrophobicContact CG-CD1 4.13Å; I207-L209 HydrophobicContact CG2-CD2 3.95Å; I207-L209 HydrophobicContact CG2-CG 4.29Å; I207-L209 PolarHBondContact O-N 3.14Å; I207-L212 HydrophobicContact CG2-CD1 4.49Å
208	N	90.4	Very high	91.3	Very high	31 Å²	31	39 Å²	39	17%	0.166	19%	0.188	C	C	.	.			trans	-90.4	91	-179.5	-166.8	-36.4	0	0	0	109.8	D198 L211 L212 P271	D198-N208 PolarHBondContact O-OD1 3.17Å; N208-L211 HydrophobicContact CB-CB 4.34Å; N208-L211 HydrophobicContact CB-CD1 4.01Å; N208-L211 HydrophobicContact CB-CG 4.37Å; N208-L211 VanDerWaalsContact CG-CD1 3.46Å; N208-L211 WeakPolarHBondContact ND2-CD1 3.26Å; N208-L211 WeakPolarHBondContact OD1-CG 3.33Å; N208-L211 PolarHBondContact OD1-N 2.74Å; N208-L211 VanDerWaalsContact OD1-N 3.15Å; N208-L212 PolarHBondContact O-N 3.11Å; N208-P271 WeakPolarHBondContact ND2-CB 3.06Å
209	L	92.1	Very high	91.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.9	-34.6	-173.8	-71.4	175.3	0	0	0	112.3	Y149 P151 A175 A197 D198 F200 I207 L212 A213	Y149-L209 HydrophobicContact CD1-CD2 3.97Å; Y149-L209 HydrophobicContact CE1-CB 4.34Å; Y149-L209 HydrophobicContact CE1-CD2 3.31Å; Y149-L209 HydrophobicContact CE1-CG 4.39Å; P151-L209 HydrophobicContact CG-CD1 4.29Å; A175-L209 HydrophobicContact CB-CD1 4.34Å; A175-L209 HydrophobicContact CB-CD2 3.94Å; A175-L209 WeakPolarHBondContact O-CD2 3.29Å; A197-L209 HydrophobicContact CB-CD1 4.17Å; A197-L209 VanDerWaalsContact O-CB 3.31Å; A197-L209 WeakPolarHBondContact O-CB 3.41Å; D198-L209 PolarHBondContact O-N 3.4Å; F200-L209 HydrophobicContact CD1-CD1 3.61Å; F200-L209 HydrophobicContact CD1-CD2 4.49Å; F200-L209 HydrophobicContact CD1-CG 3.95Å; F200-L209 HydrophobicContact CE1-CD1 3.88Å; F200-L209 HydrophobicContact CE1-CD2 4.08Å; F200-L209 HydrophobicContact CE1-CG 4.04Å; I207-L209 HydrophobicContact CG2-CD2 3.95Å; I207-L209 HydrophobicContact CG2-CG 4.29Å; I207-L209 PolarHBondContact O-N 3.14Å; L209-L212 PolarHBondContact O-N 3.03Å; L209-A213 WeakPolarHBondContact O-CB 3.36Å; L209-A213 PolarHBondContact O-N 3.31Å
210	K	95	Very high	91.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-39.9	178.6	-175.9	58.1	163.1	69	0	112.5	T196 A197 D198 L212 A213 D214 M232 V273 P274 D280	T196-K210 HydrophobicContact CG2-CD 4.33Å; A197-K210 PolarHBondContact O-N 2.89Å; D198-K210 PolarHBondContact O-N 3.21Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3Å; K210-A213 PolarHBondContact O-N 3.08Å; K210-D214 IonicContact NZ-OD1 3.41Å; K210-D214 PolarHBondContact NZ-OD1 3.19Å; K210-D214 IonicContact NZ-OD2 3.8Å; K210-D214 PolarHBondContact NZ-OD2 3.45Å; K210-D214 PolarHBondContact O-N 3.46Å; K210-M232 HydrophobicContact CB-SD 4.12Å; K210-M232 HydrophobicContact CD-CG 4.15Å; K210-M232 HydrophobicContact CD-SD 3.67Å; K210-M232 HydrophobicContact CG-SD 3.76Å; K210-V273 HydrophobicContact CB-CG1 3.99Å; K210-V273 HydrophobicContact CG-CG1 3.72Å; K210-P274 HydrophobicContact CG-CG 4.12Å; K210-P274 PolarHBondContact NZ-O 2.96Å; K210-P274 VanDerWaalsContact NZ-O 3.12Å; K210-D280 VanDerWaalsContact CE-CG 3.4Å; K210-D280 WeakPolarHBondContact CE-OD1 3.45Å; K210-D280 VanDerWaalsContact CE-OD2 3.26Å; K210-D280 WeakPolarHBondContact CE-OD2 3.34Å; K210-D280 VanDerWaalsContact NZ-CG 3.27Å; K210-D280 IonicContact NZ-OD1 2.63Å; K210-D280 PolarHBondContact NZ-OD1 2.68Å; K210-D280 IonicContact NZ-OD2 2.68Å; K210-D280 PolarHBondContact NZ-OD2 2.81Å
211	L	92	Very high	91.7	Very high	89 Å²	89	44.9 Å²	44.9	47%	0.466	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-44.2	174.7	-75.5	176.4	0	0	0	112	N208 A213 D214 E215 P274	N208-L211 HydrophobicContact CB-CB 4.34Å; N208-L211 HydrophobicContact CB-CD1 4.01Å; N208-L211 HydrophobicContact CB-CG 4.37Å; N208-L211 VanDerWaalsContact CG-CD1 3.46Å; N208-L211 WeakPolarHBondContact ND2-CD1 3.26Å; N208-L211 WeakPolarHBondContact OD1-CG 3.33Å; N208-L211 PolarHBondContact OD1-N 2.74Å; N208-L211 VanDerWaalsContact OD1-N 3.15Å; L211-A213 VanDerWaalsContact C-N 3.33Å; L211-D214 PolarHBondContact O-N 3.1Å; L211-E215 PolarHBondContact O-N 3.19Å; L211-E215 VanDerWaalsContact O-N 3.07Å; L211-P274 HydrophobicContact CD2-CG 3.79Å
212	L	89.7	Confident	92	Very high	44 Å²	44	49.5 Å²	49.5	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-38.6	177.1	-67.5	170.5	0	0	0	111.7	Y149 A179 I207 N208 L209 K210 A216	Y149-L212 HydrophobicContact CE1-CB 4.18Å; Y149-L212 WeakPolarHBondContact OH-CD1 3.06Å; A179-L212 WeakPolarHBondContact CB-O 3.42Å; I207-L212 HydrophobicContact CG2-CD1 4.49Å; N208-L212 PolarHBondContact O-N 3.11Å; L209-L212 PolarHBondContact O-N 3.03Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3Å; L212-A216 WeakPolarHBondContact O-CB 3.26Å; L212-A216 PolarHBondContact O-N 2.82Å
213	A	96.1	Very high	92.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-45.6	175.5	0	0	0	0	0	111.6	L194 T196 L209 K210 L211 E215 A216 L217	L194-A213 HydrophobicContact CD2-CB 3.92Å; T196-A213 HydrophobicContact CG2-CB 4.04Å; L209-A213 WeakPolarHBondContact O-CB 3.36Å; L209-A213 PolarHBondContact O-N 3.31Å; K210-A213 PolarHBondContact O-N 3.08Å; L211-A213 VanDerWaalsContact C-N 3.33Å; A213-E215 PolarHBondContact O-N 3.09Å; A213-A216 WeakPolarHBondContact O-CB 3.5Å; A213-A216 PolarHBondContact O-N 3.02Å; A213-L217 WeakPolarHBondContact O-CB 3.44Å; A213-L217 VanDerWaalsContact O-CG 3.24Å; A213-L217 WeakPolarHBondContact O-CG 3.37Å; A213-L217 PolarHBondContact O-N 3.36Å
214	D	96.2	Very high	93.1	Very high	38 Å²	38	53.4 Å²	53.4	20%	0.203	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-42	178.6	-77.9	-13.2	0	0	0	112.6	K210 L211 A216 L217 Q218 P274	K210-D214 IonicContact NZ-OD1 3.41Å; K210-D214 PolarHBondContact NZ-OD1 3.19Å; K210-D214 IonicContact NZ-OD2 3.8Å; K210-D214 PolarHBondContact NZ-OD2 3.45Å; K210-D214 PolarHBondContact O-N 3.46Å; L211-D214 PolarHBondContact O-N 3.1Å; D214-A216 VanDerWaalsContact C-N 3.33Å; D214-L217 PolarHBondContact O-N 3.29Å; D214-Q218 WeakPolarHBondContact O-CB 3.31Å; D214-Q218 PolarHBondContact O-N 2.85Å; D214-P274 WeakPolarHBondContact OD2-CG 3.22Å
215	E	94.4	Very high	93.6	Very high	100 Å²	100	50.3 Å²	50.3	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-42.5	173.8	-171.8	-169.2	156.5	0	0	110.9	A179 L211 A213 Q218 K219	A179-E215 HydrophobicContact CB-CB 3.66Å; A179-E215 VanDerWaalsContact CB-CD 3.45Å; A179-E215 HydrophobicContact CB-CG 3.69Å; L211-E215 PolarHBondContact O-N 3.19Å; L211-E215 VanDerWaalsContact O-N 3.07Å; A213-E215 PolarHBondContact O-N 3.09Å; E215-Q218 PolarHBondContact O-N 3.21Å; E215-K219 HydrophobicContact CG-CD 4.32Å; E215-K219 VanDerWaalsContact O-CG 3.31Å; E215-K219 WeakPolarHBondContact O-CG 3.45Å; E215-K219 PolarHBondContact O-N 2.82Å; E215-K219 WeakPolarHBondContact OE1-CE 3.29Å; E215-K219 IonicContact OE1-NZ 2.83Å
216	A	93.9	Very high	94.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-45.6	176.8	0	0	0	0	0	111.8	A179 L182 C183 L212 A213 D214 Q218 K219 C220	A179-A216 HydrophobicContact CB-CB 4.2Å; A179-A216 VanDerWaalsContact O-CB 3.27Å; A179-A216 WeakPolarHBondContact O-CB 3.46Å; L182-A216 HydrophobicContact CB-CB 3.99Å; L182-A216 HydrophobicContact CD2-CB 3.72Å; L182-A216 HydrophobicContact CG-CB 3.84Å; C183-A216 HydrophobicContact CB-CB 4.28Å; L212-A216 WeakPolarHBondContact O-CB 3.26Å; L212-A216 PolarHBondContact O-N 2.82Å; A213-A216 WeakPolarHBondContact O-CB 3.5Å; A213-A216 PolarHBondContact O-N 3.02Å; D214-A216 VanDerWaalsContact C-N 3.33Å; A216-Q218 VanDerWaalsContact C-N 3.31Å; A216-Q218 PolarHBondContact O-N 2.65Å; A216-K219 CarbonylContact O-C 3.51Å; A216-K219 WeakPolarHBondContact O-CB 3.26Å; A216-K219 PolarHBondContact O-N 2.81Å; A216-C220 PolarHBondContact O-N 3.26Å; A216-C220 PolarHBondContact O-SG 3.05Å
217	L	97.3	Very high	94.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-37.9	177.6	-68.7	175.7	0	0	0	111.7	L194 A213 D214 C220 R221 L227 C230 V279	L194-L217 HydrophobicContact CD2-CD1 4.31Å; L194-L217 HydrophobicContact CD2-CD2 4.03Å; L194-L217 HydrophobicContact CD2-CG 4.12Å; A213-L217 WeakPolarHBondContact O-CB 3.44Å; A213-L217 VanDerWaalsContact O-CG 3.24Å; A213-L217 WeakPolarHBondContact O-CG 3.37Å; A213-L217 PolarHBondContact O-N 3.36Å; D214-L217 PolarHBondContact O-N 3.29Å; L217-C220 WeakPolarHBondContact O-CB 3.49Å; L217-C220 PolarHBondContact O-N 2.91Å; L217-R221 WeakPolarHBondContact O-CG 3.45Å; L217-R221 PolarHBondContact O-N 2.74Å; L217-L227 HydrophobicContact CD2-CB 3.72Å; L217-L227 HydrophobicContact CD2-CD2 4.01Å; L217-L227 HydrophobicContact CD2-CG 4.37Å; L217-C230 HydrophobicContact CD1-CB 3.98Å; L217-V279 HydrophobicContact CD1-CG1 4.22Å
218	Q	96.8	Very high	94.7	Very high	82 Å²	82	53 Å²	53	38%	0.383	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-46.2	173	-172.8	57.1	44.4	0	0	111.2	D214 E215 A216 C220 R221 D222	D214-Q218 WeakPolarHBondContact O-CB 3.31Å; D214-Q218 PolarHBondContact O-N 2.85Å; E215-Q218 PolarHBondContact O-N 3.21Å; A216-Q218 VanDerWaalsContact C-N 3.31Å; A216-Q218 PolarHBondContact O-N 2.65Å; Q218-C220 VanDerWaalsContact C-N 3.27Å; Q218-C220 PolarHBondContact O-N 3.07Å; Q218-R221 WeakPolarHBondContact O-CA 3.36Å; Q218-R221 WeakPolarHBondContact O-CB 3.33Å; Q218-R221 PolarHBondContact O-N 3.43Å; Q218-D222 PolarHBondContact NE2-OD1 2.87Å; Q218-D222 PolarHBondContact O-N 3.42Å
219	K	94.1	Very high	95.1	Very high	55 Å²	55	52.5 Å²	52.5	24%	0.239	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-37.1	174.5	-70.3	164.5	172.3	-73.2	0	112.2	A179 E180 C183 E215 A216 D222 K223	A179-K219 HydrophobicContact CB-CD 4.46Å; E180-K219 WeakPolarHBondContact OE2-CD 3.45Å; E180-K219 WeakPolarHBondContact OE2-CE 3.33Å; E180-K219 IonicContact OE2-NZ 3.41Å; E180-K219 PolarHBondContact OE2-NZ 2.97Å; C183-K219 HydrophobicContact CB-CB 4.04Å; E215-K219 HydrophobicContact CG-CD 4.32Å; E215-K219 VanDerWaalsContact O-CG 3.31Å; E215-K219 WeakPolarHBondContact O-CG 3.45Å; E215-K219 PolarHBondContact O-N 2.82Å; E215-K219 WeakPolarHBondContact OE1-CE 3.29Å; E215-K219 IonicContact OE1-NZ 2.83Å; A216-K219 CarbonylContact O-C 3.51Å; A216-K219 WeakPolarHBondContact O-CB 3.26Å; A216-K219 PolarHBondContact O-N 2.81Å; K219-D222 PolarHBondContact O-N 2.98Å; K219-K223 WeakPolarHBondContact O-CB 3.41Å; K219-K223 WeakPolarHBondContact O-CG 3.21Å; K219-K223 PolarHBondContact O-N 3.5Å
220	C	97.1	Very high	95.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-44.3	173	-65.7	0	0	0	0	111.1	A216 L217 Q218 K223 G224 F225	A216-C220 PolarHBondContact O-N 3.26Å; A216-C220 PolarHBondContact O-SG 3.05Å; L217-C220 WeakPolarHBondContact O-CB 3.49Å; L217-C220 PolarHBondContact O-N 2.91Å; Q218-C220 VanDerWaalsContact C-N 3.27Å; Q218-C220 PolarHBondContact O-N 3.07Å; C220-K223 CarbonylContact O-C 3.49Å; C220-K223 PolarHBondContact O-N 2.92Å; C220-G224 PolarHBondContact O-N 2.89Å; C220-F225 CarbonylContact C-O 3.5Å; C220-F225 VanDerWaalsContact CB-O 3.25Å; C220-F225 WeakPolarHBondContact CB-O 3.35Å; C220-F225 CarbonylContact O-C 3.5Å; C220-F225 WeakPolarHBondContact O-CA 3.47Å; C220-F225 PolarHBondContact O-N 2.69Å
221	R	96.8	Very high	95.5	Very high	84 Å²	84	52.5 Å²	52.5	32%	0.317	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-47.2	173.5	-71.5	-167.8	-82	-96.4	-1.1	112.1	L217 Q218 K223 G224 P226	L217-R221 WeakPolarHBondContact O-CG 3.45Å; L217-R221 PolarHBondContact O-N 2.74Å; Q218-R221 WeakPolarHBondContact O-CA 3.36Å; Q218-R221 WeakPolarHBondContact O-CB 3.33Å; Q218-R221 PolarHBondContact O-N 3.43Å; R221-K223 PolarHBondContact O-N 3.37Å; R221-G224 PolarHBondContact O-N 3.41Å; R221-P226 HydrophobicContact CG-CB 3.9Å
222	D	97.2	Very high	95.8	Very high	116 Å²	116	48.4 Å²	48.4	62%	0.62	25%	0.248	S	C	*	.	H	α-helix	trans	-62.6	-30.9	-179.4	-59.6	-18.3	0	0	0	111.8	Q218 K219 G224	Q218-D222 PolarHBondContact NE2-OD1 2.87Å; Q218-D222 PolarHBondContact O-N 3.42Å; K219-D222 PolarHBondContact O-N 2.98Å; D222-G224 VanDerWaalsContact C-N 3.31Å
223	K	95.6	Very high	96.1	Very high	104 Å²	104	46.4 Å²	46.4	45%	0.452	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10	174.1	-66.9	179.7	-176.8	-179.7	0	113.9	E180 I187 K219 C220 R221	E180-K223 IonicContact OE1-NZ 3.29Å; E180-K223 PolarHBondContact OE1-NZ 3.18Å; I187-K223 HydrophobicContact CD1-CB 3.77Å; I187-K223 HydrophobicContact CD1-CD 3.58Å; I187-K223 HydrophobicContact CD1-CG 4.3Å; K219-K223 WeakPolarHBondContact O-CB 3.41Å; K219-K223 WeakPolarHBondContact O-CG 3.21Å; K219-K223 PolarHBondContact O-N 3.5Å; C220-K223 CarbonylContact O-C 3.49Å; C220-K223 PolarHBondContact O-N 2.92Å; R221-K223 PolarHBondContact O-N 3.37Å
224	G	97.1	Very high	96.1	Very high	62 Å²	62	48.8 Å²	48.8	64%	0.639	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	16	176.1	0	0	0	0	0	115.5	C220 R221 D222 P226	C220-G224 PolarHBondContact O-N 2.89Å; R221-G224 PolarHBondContact O-N 3.41Å; D222-G224 VanDerWaalsContact C-N 3.31Å; G224-P226 VanDerWaalsContact C-CD 3.45Å; G224-P226 WeakPolarHBondContact O-CD 3.44Å
225	F	96.6	Very high	95.9	Very high	46 Å²	46	47.8 Å²	47.8	20%	0.202	24%	0.243	C	C	.	.			trans	-121.5	68.1	179.9	-162.9	-98.8	0	0	0	111.7	I186 I187 Q190 C191 C220 L227	I186-F225 HydrophobicContact CG2-CD1 4.29Å; I186-F225 HydrophobicContact CG2-CE1 4.2Å; I187-F225 HydrophobicContact CD1-CB 4.49Å; I187-F225 HydrophobicContact CG1-CB 4.01Å; I187-F225 HydrophobicContact CG1-CD1 4.13Å; I187-F225 HydrophobicContact CG1-CG 4.22Å; Q190-F225 HydrophobicContact CB-CZ 4.28Å; C191-F225 WeakPolarHBondContact O-CE1 3.27Å; C220-F225 CarbonylContact C-O 3.5Å; C220-F225 VanDerWaalsContact CB-O 3.25Å; C220-F225 WeakPolarHBondContact CB-O 3.35Å; C220-F225 CarbonylContact O-C 3.5Å; C220-F225 WeakPolarHBondContact O-CA 3.47Å; C220-F225 PolarHBondContact O-N 2.69Å; F225-L227 HydrophobicContact CD1-CD1 3.51Å; F225-L227 HydrophobicContact CE1-CD1 3.51Å; F225-L227 PolarHBondContact O-N 3.17Å
226	P	94.8	Very high	95.8	Very high	81 Å²	81	45 Å²	45	53%	0.526	23%	0.231	S	C	.	.			trans	-70.1	114.7	-178.2	29.3	-35.3	0	0	0	112	R221 G224	R221-P226 HydrophobicContact CG-CB 3.9Å; G224-P226 VanDerWaalsContact C-CD 3.45Å; G224-P226 WeakPolarHBondContact O-CD 3.44Å
227	L	94.2	Very high	95.3	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.047	24%	0.24	C	C	.	.			trans	-76	134.6	166.4	-90	72.5	0	0	0	110	I186 L194 L217 F225	I186-L227 HydrophobicContact CG2-CD1 3.35Å; I186-L227 HydrophobicContact CG2-CD2 3.88Å; I186-L227 HydrophobicContact CG2-CG 4.26Å; L194-L227 HydrophobicContact CB-CD2 4.01Å; L217-L227 HydrophobicContact CD2-CB 3.72Å; L217-L227 HydrophobicContact CD2-CD2 4.01Å; L217-L227 HydrophobicContact CD2-CG 4.37Å; F225-L227 HydrophobicContact CD1-CD1 3.51Å; F225-L227 HydrophobicContact CE1-CD1 3.51Å; F225-L227 PolarHBondContact O-N 3.17Å
228	K	92	Very high	93.8	Very high	168 Å²	168	52.5 Å²	52.5	73%	0.73	27%	0.267	S	S	*	.			trans	-92.8	-16.1	-178.5	-63.9	-177	179.8	179.2	0	113.7	V279	K228-V279 WeakPolarHBondContact O-CA 3.35Å
229	T	97.6	Very high	91.7	Very high	22 Å²	22	55.2 Å²	55.2	14%	0.135	28%	0.279	C	S	.	.			trans	-136.7	127.1	-172.1	-44.1	0	0	0	0	111.3	L193 L194 I231 V279 L281	L193-T229 HydrophobicContact CD1-CG2 3.38Å; L193-T229 HydrophobicContact CG-CG2 3.93Å; L194-T229 PolarHBondContact N-O 2.89Å; L194-T229 VanDerWaalsContact N-O 3.12Å; T229-I231 HydrophobicContact CG2-CG1 4.4Å; T229-V279 WeakPolarHBondContact CA-O 3.42Å; T229-L281 HydrophobicContact CG2-CD1 3.67Å; T229-L281 HydrophobicContact CG2-CG 4.37Å
230	C	98.3	Very high	89.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110.8	171.9	-178.4	0	0	0	0	108.8	L194 L217 V279 D280 L281	L194-C230 CarbonylContact O-C 3.43Å; L194-C230 VanDerWaalsContact O-CA 3.26Å; L194-C230 WeakPolarHBondContact O-CA 3.21Å; L217-C230 HydrophobicContact CD1-CB 3.98Å; C230-V279 HydrophobicContact CB-CG1 3.86Å; C230-V279 PolarHBondContact N-O 3.2Å; C230-D280 WeakPolarHBondContact CB-OD1 3.47Å; C230-D280 CarbonylContact O-C 3.41Å; C230-D280 WeakPolarHBondContact O-CA 3.33Å; C230-L281 PolarHBondContact O-N 2.76Å
231	I	98.5	Very high	86.3	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.6	175	-59.5	175.7	0	0	0	108.4	F131 V134 L135 Q138 L193 L194 I195 T196 T229 L281 W283 L286	F131-I231 HydrophobicContact CE2-CD1 4.16Å; F131-I231 HydrophobicContact CE2-CG2 4.25Å; F131-I231 HydrophobicContact CZ-CD1 4.05Å; F131-I231 HydrophobicContact CZ-CG2 4.49Å; V134-I231 HydrophobicContact CG1-CD1 4.13Å; L135-I231 HydrophobicContact CD2-CD1 4.36Å; Q138-I231 HydrophobicContact CG-CD1 4.31Å; L193-I231 HydrophobicContact CD1-CD1 3.91Å; L193-I231 HydrophobicContact CD1-CG1 4.19Å; L193-I231 HydrophobicContact CD2-CD1 4.06Å; L193-I231 HydrophobicContact CD2-CG1 4.18Å; L194-I231 PolarHBondContact O-N 3.12Å; I195-I231 CarbonylContact C-O 3.6Å; I195-I231 WeakPolarHBondContact CA-O 3.46Å; T196-I231 PolarHBondContact N-O 3.29Å; T229-I231 HydrophobicContact CG2-CG1 4.4Å; I231-L281 CarbonylContact C-O 3.58Å; I231-L281 WeakPolarHBondContact CA-O 3.5Å; I231-L281 HydrophobicContact CG1-CB 4.46Å; I231-W283 HydrophobicContact CG2-CB 4.1Å; I231-W283 HydrophobicContact CG2-CE3 3.88Å; I231-L286 HydrophobicContact CD1-CD1 4.11Å; I231-L286 HydrophobicContact CG1-CD1 4.08Å; I231-L286 HydrophobicContact CG2-CD1 4.04Å
232	M	97.3	Very high	83.2	Confident	2 Å²	2	68 Å²	68	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.1	-177.3	-169.2	-162.2	83.7	0	0	112	T196 D198 K210 K234 V273 W275 L281 W283	T196-M232 HydrophobicContact CG2-CB 4.29Å; T196-M232 HydrophobicContact CG2-CG 4.13Å; T196-M232 CarbonylContact O-C 3.45Å; T196-M232 WeakPolarHBondContact O-CA 3.49Å; D198-M232 HydrophobicContact CB-CE 4.18Å; D198-M232 HydrophobicContact CB-SD 4.32Å; K210-M232 HydrophobicContact CB-SD 4.12Å; K210-M232 HydrophobicContact CD-CG 4.15Å; K210-M232 HydrophobicContact CD-SD 3.67Å; K210-M232 HydrophobicContact CG-SD 3.76Å; M232-K234 HydrophobicContact CE-CG 3.77Å; M232-V273 HydrophobicContact CE-CG1 3.81Å; M232-V273 HydrophobicContact SD-CG1 3.45Å; M232-V273 WeakPolarHBondContact SD-CG1 3.23Å; M232-W275 HydrophobicContact CB-CZ3 4.17Å; M232-W275 HydrophobicContact CE-CE3 4.09Å; M232-W275 HydrophobicContact CE-CZ3 3.5Å; M232-W275 HydrophobicContact SD-CE3 4.26Å; M232-W275 HydrophobicContact SD-CZ3 3.87Å; M232-L281 PolarHBondContact N-O 3.37Å; M232-W283 WeakPolarHBondContact O-CB 3.32Å; M232-W283 PolarHBondContact O-N 2.79Å
233	L	97.3	Very high	80.1	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.7	167.1	-179.8	67.8	0	0	0	110.9	M150 V153 E155 T196 A197 D198 H235 W283	M150-L233 HydrophobicContact CE-CB 3.91Å; M150-L233 HydrophobicContact CE-CD2 3.52Å; M150-L233 HydrophobicContact CE-CG 4.33Å; V153-L233 HydrophobicContact CG2-CD2 3.96Å; E155-L233 HydrophobicContact CB-CD2 3.88Å; E155-L233 HydrophobicContact CG-CD1 3.95Å; E155-L233 HydrophobicContact CG-CD2 3.98Å; T196-L233 PolarHBondContact O-N 2.83Å; A197-L233 CarbonylContact C-O 3.56Å; A197-L233 VanDerWaalsContact CA-O 3.23Å; A197-L233 WeakPolarHBondContact CA-O 3.37Å; A197-L233 HydrophobicContact CB-CB 4.05Å; D198-L233 PolarHBondContact N-O 3.04Å; L233-H235 HydrophobicContact CD2-CB 4.17Å; L233-H235 HydrophobicContact CG-CB 4.32Å; L233-H235 PolarHBondContact O-N 2.9Å; L233-W283 HydrophobicContact CB-CB 4.33Å; L233-W283 HydrophobicContact CD1-CB 4.14Å; L233-W283 HydrophobicContact CD1-CD2 4.43Å; L233-W283 HydrophobicContact CD1-CG 3.86Å
234	K	94.3	Very high	77.2	Confident	50 Å²	50	65.8 Å²	65.8	22%	0.217	39%	0.394	C	S	.	.			trans	-83.5	77.8	167.9	-67.4	-178.3	176.2	-178.2	0	110.1	D198 M232 E239 H284	D198-K234 WeakPolarHBondContact OD2-CA 3.49Å; M232-K234 HydrophobicContact CE-CG 3.77Å; K234-E239 IonicContact NZ-OE1 3.55Å; K234-E239 PolarHBondContact NZ-OE1 3.15Å; K234-H284 PolarHBondContact O-CE1 3.32Å
235	H	94	Very high	74.2	Confident	18 Å²	18	74.6 Å²	74.6	8%	0.083	41%	0.408	C	S	.	.	S	Bend	trans	-75.5	-47.8	-177.6	178.8	49.9	0	0	0	112.1	V153 A197 D198 G199 L233 E377	V153-H235 VanDerWaalsContact CG1-CE1 3.45Å; V153-H235 WeakPolarHBondContact CG1-CE1 3.17Å; A197-H235 HydrophobicContact CB-CB 4.38Å; D198-H235 VanDerWaalsContact CG-N 3.34Å; D198-H235 WeakPolarHBondContact OD1-CA 3.32Å; D198-H235 WeakPolarHBondContact OD1-CB 3.09Å; D198-H235 PolarHBondContact OD1-N 2.99Å; D198-H235 PolarHBondContact OD2-N 3.34Å; G199-H235 PolarHBondContact O-CD2 3.41Å; L233-H235 HydrophobicContact CD2-CB 4.17Å; L233-H235 HydrophobicContact CG-CB 4.32Å; L233-H235 PolarHBondContact O-N 2.9Å; H235-E377 IonicContact CD2-OE1 2.78Å; H235-E377 PolarHBondContact CD2-OE1 3.31Å; H235-E377 IonicContact CE1-OE1 3.89Å; H235-E377 IonicContact CE1-OE2 3.62Å; H235-E377 IonicContact NE2-OE1 2.68Å; H235-E377 PolarHBondContact NE2-OE1 2.95Å; H235-E377 IonicContact NE2-OE2 3.69Å; H235-E377 PolarHBondContact NE2-OE2 2.91Å
236	L	91	Very high	71.1	Confident	41 Å²	41	81.8 Å²	81.8	22%	0.215	44%	0.442	C	S	.	.	S	Bend	trans	-87	-30.9	178.5	-63.9	179.9	0	0	0	112.7	D198 G199 Y201 L206 K238 P271	D198-L236 PolarHBondContact OD1-N 3.22Å; D198-L236 VanDerWaalsContact OD1-N 3.1Å; D198-L236 PolarHBondContact OD2-N 2.81Å; G199-L236 WeakPolarHBondContact O-CG 2.95Å; Y201-L236 HydrophobicContact CD2-CD1 4.08Å; Y201-L236 HydrophobicContact CD2-CD2 3.78Å; Y201-L236 HydrophobicContact CE2-CD1 3.89Å; Y201-L236 HydrophobicContact CE2-CD2 4.07Å; L206-L236 HydrophobicContact CD1-CD1 3.48Å; L206-L236 VanDerWaalsContact CD1-CD1 3.48Å; L236-K238 VanDerWaalsContact C-N 3.28Å; L236-K238 PolarHBondContact O-N 3.3Å; L236-P271 HydrophobicContact CD1-CG 3.97Å
237	S	82.8	Confident	68	Low	28 Å²	28	83 Å²	83	20%	0.196	45%	0.453	C	S	.	.	S	Bend	trans	-91.4	36.1	-172	-41.3	0	0	0	0	113.1	D198 E239 V270	D198-S237 VanDerWaalsContact OD2-CB 3.24Å; D198-S237 WeakPolarHBondContact OD2-CB 3.45Å; D198-S237 PolarHBondContact OD2-N 2.61Å; D198-S237 PolarHBondContact OD2-OG 3.4Å; S237-E239 PolarHBondContact O-N 2.71Å; S237-V270 VanDerWaalsContact OG-CG1 3.28Å; S237-V270 WeakPolarHBondContact OG-CG1 3.16Å
238	K	67.1	Low	65.1	Low	133 Å²	133	88.2 Å²	88.2	58%	0.578	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-47.7	124.9	-174.4	-66.8	-177.5	-178.8	174.9	0	110.6	D115 L236	D115-K238 IonicContact OD1-NZ 3.89Å; L236-K238 VanDerWaalsContact C-N 3.28Å; L236-K238 PolarHBondContact O-N 3.3Å
239	E	52.3	Low	62.4	Low	139 Å²	139	86 Å²	86	65%	0.65	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-74	145.2	169.4	-66.9	-150.5	-167.6	0	0	109.4	K234 S237 E241	K234-E239 IonicContact NZ-OE1 3.55Å; K234-E239 PolarHBondContact NZ-OE1 3.15Å; S237-E239 PolarHBondContact O-N 2.71Å; E239-E241 PolarHBondContact O-N 3.02Å
240	P	39.2	Very low	59.5	Low	121 Å²	121	89.7 Å²	89.7	79%	0.786	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-59.9	124.6	179.5	23.6	-31.6	0	0	0	109.8	A242	P240-A242 PolarHBondContact O-N 3.16Å
241	E	37.8	Very low	56.7	Low	187 Å²	187	99.5 Å²	99.5	87%	0.874	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-51.5	132.7	168.9	-70.9	-176.9	160.7	0	0	109.2	E239 A243	E239-E241 PolarHBondContact O-N 3.02Å; E241-A243 PolarHBondContact O-N 3.43Å
242	A	32.2	Very low	53.7	Low	99 Å²	99	110.9 Å²	110.9	82%	0.818	61%	0.608	S	S	*	*			trans	-54.1	112.7	174.5	0	0	0	0	0	109	P240 G244	P240-A242 PolarHBondContact O-N 3.16Å; A242-G244 PolarHBondContact O-N 3.45Å
243	A	32.9	Very low	50.6	Low	111 Å²	111	115.8 Å²	115.8	92%	0.917	65%	0.649	S	S	*	*			trans	-52.8	109.4	-178.9	0	0	0	0	0	110.6	E241	E241-A243 PolarHBondContact O-N 3.43Å
244	G	35	Very low	47.5	Very low	63 Å²	63	119.5 Å²	119.5	65%	0.649	67%	0.674	S	S	*	*			trans	-160.4	46.6	-172.7	0	0	0	0	0	114	A242	A242-G244 PolarHBondContact O-N 3.45Å
245	R	32.6	Very low	44.7	Very low	246 Å²	246	122 Å²	122	93%	0.928	70%	0.696	S	S	*	*			trans	-178	86.6	154.5	-97.7	156.2	-163.2	-159	6.7	108.6	S247	R245-S247 PolarHBondContact O-N 3.3Å
246	Q	31.8	Very low	41.8	Very low	197 Å²	197	128 Å²	128	92%	0.921	73%	0.729	S	S	*	*			trans	-76.7	113.3	164.2	-74.1	-177.4	-5.1	0	0	108.2
247	S	30.6	Very low	39.3	Very low	108 Å²	108	130.9 Å²	130.9	76%	0.755	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-62.3	145.2	161	-57.5	0	0	0	0	109.3	R245	R245-S247 PolarHBondContact O-N 3.3Å
248	P	33.5	Very low	36.7	Very low	117 Å²	117	136.8 Å²	136.8	76%	0.76	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-65.2	146.5	-178.1	-7.7	20.7	0	0	0	110.8	A250	P248-A250 PolarHBondContact O-N 2.91Å
249	P	34.3	Very low	34.9	Very low	122 Å²	122	139.3 Å²	139.3	79%	0.792	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-67.7	132	-179	26.3	-31.6	0	0	0	111.1	K251	P249-K251 PolarHBondContact O-N 3.02Å
250	A	37.2	Very low	34	Very low	99 Å²	99	140.8 Å²	140.8	82%	0.818	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.7	124.5	175.7	0	0	0	0	0	111	P248 R252	P248-A250 PolarHBondContact O-N 2.91Å; A250-R252 PolarHBondContact O-N 3.15Å; A250-R252 VanDerWaalsContact O-N 3.14Å
251	K	38.9	Very low	33.6	Very low	206 Å²	206	143.3 Å²	143.3	90%	0.896	79%	0.788	S	S	*	*	S	Bend	trans	-80.8	83.5	173.9	-74.8	-177.2	177.6	178.3	0	110.9	P249	P249-K251 PolarHBondContact O-N 3.02Å
252	R	36.1	Very low	33.2	Very low	239 Å²	239	145.1 Å²	145.1	90%	0.902	79%	0.787	S	S	*	*			trans	163.4	128.3	145.2	-99.7	173.9	168.5	172.7	-3.5	109.8	A250	A250-R252 PolarHBondContact O-N 3.15Å; A250-R252 VanDerWaalsContact O-N 3.14Å
253	A	31.6	Very low	33.3	Very low	105 Å²	105	149.6 Å²	149.6	87%	0.868	79%	0.787	S	S	*	*			trans	-76.8	123.2	169.5	0	0	0	0	0	109.4
254	C	33.4	Very low	33.5	Very low	80 Å²	80	150.5 Å²	150.5	54%	0.541	78%	0.781	S	S	.	*			trans	-104.7	120.4	170.1	-141.5	0	0	0	0	107.1	D256	C254-D256 PolarHBondContact O-N 3.45Å; C254-D256 VanDerWaalsContact O-N 3.15Å
255	P	33.6	Very low	33.9	Very low	104 Å²	104	156.7 Å²	156.7	68%	0.675	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-65.3	-16.6	-172.2	-20	32.2	0	0	0	114.6	L257	P255-L257 VanDerWaalsContact C-N 3.3Å; P255-L257 PolarHBondContact O-N 2.84Å
256	D	35	Very low	34.4	Very low	143 Å²	143	153.6 Å²	153.6	77%	0.765	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-83	-2.4	-172.1	-59	-28.5	0	0	0	114	C254	C254-D256 PolarHBondContact O-N 3.45Å; C254-D256 VanDerWaalsContact O-N 3.15Å
257	L	36.9	Very low	35.7	Very low	102 Å²	102	150.7 Å²	150.7	53%	0.534	78%	0.78	S	S	.	*	G	3₁₀ helix	trans	-98.4	-1	177.5	-83.8	160	0	0	0	114.2	P255	P255-L257 VanDerWaalsContact C-N 3.3Å; P255-L257 PolarHBondContact O-N 2.84Å
258	E	28.8	Very low	37.6	Very low	152 Å²	152	148.2 Å²	148.2	71%	0.71	75%	0.754	S	S	*	*	S	Bend	trans	-87.1	-17.9	-178.4	-70.2	-164.5	159.6	0	0	113.8
259	Q	29.2	Very low	39.1	Very low	186 Å²	186	147.1 Å²	147.1	87%	0.869	75%	0.747	S	S	*	*	S	Bend	trans	-85.2	-26	179.1	-76.7	-175.4	-7.8	0	0	114.2
260	E	33.5	Very low	40.8	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.794	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-15.7	176.5	-83.5	-167.6	148.8	0	0	114.3	R262	E260-R262 VanDerWaalsContact C-N 3.31Å; E260-R262 PolarHBondContact O-N 2.67Å
261	K	31.2	Very low	42.3	Very low	173 Å²	173	141.4 Å²	141.4	75%	0.752	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	3.3	-179.3	-72	-177	179.1	177.5	0	114.8
262	R	29.2	Very low	43.9	Very low	226 Å²	226	141.1 Å²	141.1	85%	0.853	70%	0.698	S	S	*	*			trans	-105.6	42.8	179.6	-85.9	-177.3	166.6	-178.2	-1.5	113.5	E260	E260-R262 VanDerWaalsContact C-N 3.31Å; E260-R262 PolarHBondContact O-N 2.67Å
263	K	34.6	Very low	46.2	Very low	192 Å²	192	131.7 Å²	131.7	84%	0.835	67%	0.667	S	S	*	*	S	Bend	trans	-95.6	103.8	149.2	-77.5	-174	-179	176.9	0	107.2	K265	K263-K265 PolarHBondContact O-N 3.36Å
264	V	35.7	Very low	48.8	Very low	130 Å²	130	128.8 Å²	128.8	79%	0.788	64%	0.639	S	S	*	*			trans	-46.7	109.9	174.1	177.4	0	0	0	0	108.3	K266	V264-K266 VanDerWaalsContact C-N 3.29Å; V264-K266 PolarHBondContact O-N 2.89Å
265	K	43.5	Very low	51.6	Low	193 Å²	193	130.3 Å²	130.3	84%	0.839	63%	0.634	S	S	*	*			trans	-56.7	101.9	161.1	-87.9	-174.2	174.2	-175	0	104.9	K263 T267	K263-K265 PolarHBondContact O-N 3.36Å; K265-T267 VanDerWaalsContact C-N 3.3Å; K265-T267 PolarHBondContact O-N 2.78Å
266	K	44.8	Very low	54.4	Low	181 Å²	181	127.7 Å²	127.7	79%	0.787	61%	0.614	S	S	*	*			trans	-56.8	102	168.2	-86.2	-179.3	174.9	177	0	105.5	V264 R268	V264-K266 VanDerWaalsContact C-N 3.29Å; V264-K266 PolarHBondContact O-N 2.89Å; K266-R268 VanDerWaalsContact C-N 3.27Å; K266-R268 PolarHBondContact O-N 3.21Å
267	T	57.5	Low	57.2	Low	137 Å²	137	125.7 Å²	125.7	84%	0.84	61%	0.609	S	S	*	*			trans	-66.2	95.6	170.9	34	0	0	0	0	106.5	K265	K265-T267 VanDerWaalsContact C-N 3.3Å; K265-T267 PolarHBondContact O-N 2.78Å
268	R	70.4	Confident	59.8	Low	55 Å²	55	127.7 Å²	127.7	21%	0.208	62%	0.62	C	S	.	*	P	Polyproline II helix	trans	-64.1	144.4	176.6	-67.8	-178.2	178	-139.6	-11	109	E112 Y201 G203 D204 K266 V270 Y382	E112-R268 IonicContact OE1-CZ 3.13Å; E112-R268 IonicContact OE1-NE 3.42Å; E112-R268 PolarHBondContact OE1-NE 3.28Å; E112-R268 IonicContact OE1-NH1 2.81Å; E112-R268 PolarHBondContact OE1-NH1 3.12Å; E112-R268 IonicContact OE1-NH2 3.2Å; E112-R268 PolarHBondContact OE1-NH2 3.1Å; Y201-R268 HydrophobicContact CE1-CB 4.41Å; Y201-R268 HydrophobicContact CE2-CB 3.95Å; Y201-R268 VanDerWaalsContact CG-NH1 3.3Å; G203-R268 PolarHBondContact O-NH1 3.2Å; D204-R268 IonicContact OD1-CZ 2.92Å; D204-R268 IonicContact OD1-NH2 2.73Å; D204-R268 PolarHBondContact OD1-NH2 3.12Å; K266-R268 VanDerWaalsContact C-N 3.27Å; K266-R268 PolarHBondContact O-N 3.21Å; R268-V270 PolarHBondContact O-N 3.14Å; R268-Y382 PolarHBondContact NH2-OH 3.48Å
269	P	65.8	Low	63	Low	95 Å²	95	121.1 Å²	121.1	62%	0.617	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-61	130.7	178.3	23.4	-30.4	0	0	0	110.1	Y201	Y201-P269 WeakPolarHBondContact OH-CD 3.28Å; Y201-P269 PolarHBondContact OH-O 3.04Å
270	V	69.1	Low	66.2	Low	87 Å²	87	112.5 Å²	112.5	53%	0.527	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-77.5	129.8	167.7	-179.6	0	0	0	0	107	S237 R268	S237-V270 VanDerWaalsContact OG-CG1 3.28Å; S237-V270 WeakPolarHBondContact OG-CG1 3.16Å; R268-V270 PolarHBondContact O-N 3.14Å
271	P	69.3	Low	69.3	Low	13 Å²	13	106.8 Å²	106.8	8%	0.084	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-58.7	142.8	178.8	21.4	-30.6	0	0	0	110.9	L206 N208 L236 V273	L206-P271 HydrophobicContact CD1-CG 4.46Å; L206-P271 HydrophobicContact CD2-CB 4.27Å; N208-P271 WeakPolarHBondContact ND2-CB 3.06Å; L236-P271 HydrophobicContact CD1-CG 3.97Å; P271-V273 HydrophobicContact CG-CG2 4.38Å; P271-V273 WeakPolarHBondContact O-CG2 3.48Å; P271-V273 PolarHBondContact O-N 3.37Å
272	K	72	Confident	72.4	Confident	200 Å²	200	99.3 Å²	99.3	87%	0.87	49%	0.494	S	S	*	.			trans	-70	112.4	163.3	-122.9	-178.5	-178.8	-178.5	0	107.1	P274	K272-P274 WeakPolarHBondContact O-CD 3.39Å
273	V	84.2	Confident	75.6	Confident	41 Å²	41	88.9 Å²	88.9	25%	0.248	46%	0.455	C	S	.	.			trans	-95.1	113.4	-175.1	-171.5	0	0	0	0	109	D198 K210 M232 P271	D198-V273 HydrophobicContact CB-CG1 4.17Å; D198-V273 HydrophobicContact CB-CG2 3.63Å; K210-V273 HydrophobicContact CB-CG1 3.99Å; K210-V273 HydrophobicContact CG-CG1 3.72Å; M232-V273 HydrophobicContact CE-CG1 3.81Å; M232-V273 HydrophobicContact SD-CG1 3.45Å; M232-V273 WeakPolarHBondContact SD-CG1 3.23Å; P271-V273 HydrophobicContact CG-CG2 4.38Å; P271-V273 WeakPolarHBondContact O-CG2 3.48Å; P271-V273 PolarHBondContact O-N 3.37Å
274	P	86.4	Confident	78.5	Confident	45 Å²	45	83.9 Å²	83.9	29%	0.292	43%	0.434	S	S	.	.			trans	-65	142.9	170.8	29.4	-35.7	0	0	0	110.3	K210 L211 D214 K272	K210-P274 HydrophobicContact CG-CG 4.12Å; K210-P274 PolarHBondContact NZ-O 2.96Å; K210-P274 VanDerWaalsContact NZ-O 3.12Å; L211-P274 HydrophobicContact CD2-CG 3.79Å; D214-P274 WeakPolarHBondContact OD2-CG 3.22Å; K272-P274 WeakPolarHBondContact O-CD 3.39Å
275	W	93.3	Very high	81.4	Confident	112 Å²	112	82 Å²	82	42%	0.424	43%	0.427	S	S	.	.			trans	-132.7	122.1	-178.9	-166.8	-91.4	0	0	0	110.5	M232 D280 L281 C282	M232-W275 HydrophobicContact CB-CZ3 4.17Å; M232-W275 HydrophobicContact CE-CE3 4.09Å; M232-W275 HydrophobicContact CE-CZ3 3.5Å; M232-W275 HydrophobicContact SD-CE3 4.26Å; M232-W275 HydrophobicContact SD-CZ3 3.87Å; W275-D280 HydrophobicContact CD2-CB 3.89Å; W275-D280 HydrophobicContact CE3-CB 4.02Å; W275-D280 HydrophobicContact CH2-CB 3.92Å; W275-D280 HydrophobicContact CZ2-CB 3.79Å; W275-D280 VanDerWaalsContact CZ2-O 3.25Å; W275-D280 WeakPolarHBondContact CZ2-O 3.38Å; W275-D280 HydrophobicContact CZ3-CB 4.02Å; W275-L281 VanDerWaalsContact CH2-C 3.5Å; W275-C282 HydrophobicContact CH2-CB 3.89Å; W275-C282 HydrophobicContact CZ2-CB 4.4Å
276	N	93	Very high	83.9	Confident	49 Å²	49	74.6 Å²	74.6	26%	0.262	40%	0.396	S	S	.	.			trans	-107.2	106.2	173	-179.2	-9	0	0	0	109	D278 V279 D280	N276-D278 PolarHBondContact O-N 3.08Å; N276-D278 VanDerWaalsContact O-N 3.11Å; N276-D278 WeakPolarHBondContact OD1-CB 3.41Å; N276-D278 PolarHBondContact OD1-N 3.45Å; N276-V279 PolarHBondContact O-N 2.97Å; N276-V279 VanDerWaalsContact O-N 3.14Å; N276-D280 PolarHBondContact N-OD2 3.19Å; N276-D280 VanDerWaalsContact O-CB 3.29Å; N276-D280 WeakPolarHBondContact O-CB 3.1Å; N276-D280 PolarHBondContact O-N 2.69Å
277	P	92.7	Very high	86.4	Confident	101 Å²	101	67.1 Å²	67.1	66%	0.656	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.1	-176.2	29.3	-36.1	0	0	0	114.1	V279	P277-V279 VanDerWaalsContact C-N 3.34Å
278	D	92.1	Very high	88.1	Confident	143 Å²	143	63.9 Å²	63.9	77%	0.765	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-15	179.4	-60	-34.6	0	0	0	112.9	N276	N276-D278 PolarHBondContact O-N 3.08Å; N276-D278 VanDerWaalsContact O-N 3.11Å; N276-D278 WeakPolarHBondContact OD1-CB 3.41Å; N276-D278 PolarHBondContact OD1-N 3.45Å
279	V	95	Very high	88.9	Confident	15 Å²	15	64.9 Å²	64.9	9%	0.091	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-39.1	-173.9	-178.6	0	0	0	0	112.3	L217 K228 T229 C230 N276 P277	L217-V279 HydrophobicContact CD1-CG1 4.22Å; K228-V279 WeakPolarHBondContact O-CA 3.35Å; T229-V279 WeakPolarHBondContact CA-O 3.42Å; C230-V279 HydrophobicContact CB-CG1 3.86Å; C230-V279 PolarHBondContact N-O 3.2Å; N276-V279 PolarHBondContact O-N 2.97Å; N276-V279 VanDerWaalsContact O-N 3.14Å; P277-V279 VanDerWaalsContact C-N 3.34Å
280	D	97.6	Very high	90.3	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.3	-171.3	-63.3	-41.2	0	0	0	112.5	K210 C230 W275 N276	K210-D280 VanDerWaalsContact CE-CG 3.4Å; K210-D280 WeakPolarHBondContact CE-OD1 3.45Å; K210-D280 VanDerWaalsContact CE-OD2 3.26Å; K210-D280 WeakPolarHBondContact CE-OD2 3.34Å; K210-D280 VanDerWaalsContact NZ-CG 3.27Å; K210-D280 IonicContact NZ-OD1 2.63Å; K210-D280 PolarHBondContact NZ-OD1 2.68Å; K210-D280 IonicContact NZ-OD2 2.68Å; K210-D280 PolarHBondContact NZ-OD2 2.81Å; C230-D280 WeakPolarHBondContact CB-OD1 3.47Å; C230-D280 CarbonylContact O-C 3.41Å; C230-D280 WeakPolarHBondContact O-CA 3.33Å; W275-D280 HydrophobicContact CD2-CB 3.89Å; W275-D280 HydrophobicContact CE3-CB 4.02Å; W275-D280 HydrophobicContact CH2-CB 3.92Å; W275-D280 HydrophobicContact CZ2-CB 3.79Å; W275-D280 VanDerWaalsContact CZ2-O 3.25Å; W275-D280 WeakPolarHBondContact CZ2-O 3.38Å; W275-D280 HydrophobicContact CZ3-CB 4.02Å; N276-D280 PolarHBondContact N-OD2 3.19Å; N276-D280 VanDerWaalsContact O-CB 3.29Å; N276-D280 WeakPolarHBondContact O-CB 3.1Å; N276-D280 PolarHBondContact O-N 2.69Å
281	L	97.3	Very high	91.6	Very high	51 Å²	51	60.1 Å²	60.1	27%	0.267	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.4	173.9	-56.4	177.2	0	0	0	110.3	Q138 T229 C230 I231 M232 W275 L286	Q138-L281 HydrophobicContact CG-CD1 4.32Å; T229-L281 HydrophobicContact CG2-CD1 3.67Å; T229-L281 HydrophobicContact CG2-CG 4.37Å; C230-L281 PolarHBondContact O-N 2.76Å; I231-L281 CarbonylContact C-O 3.58Å; I231-L281 WeakPolarHBondContact CA-O 3.5Å; I231-L281 HydrophobicContact CG1-CB 4.46Å; M232-L281 PolarHBondContact N-O 3.37Å; W275-L281 VanDerWaalsContact CH2-C 3.5Å; L281-L286 HydrophobicContact CB-CD1 3.76Å; L281-L286 HydrophobicContact CB-CG 4.49Å; L281-L286 HydrophobicContact CD1-CD1 4.24Å
282	C	96.4	Very high	92.9	Very high	15 Å²	15	62.6 Å²	62.6	10%	0.101	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.5	-178.2	180	0	0	0	0	110.4	W275 H284 S285 L286	W275-C282 HydrophobicContact CH2-CB 3.89Å; W275-C282 HydrophobicContact CZ2-CB 4.4Å; C282-H284 VanDerWaalsContact C-N 3.32Å; C282-H284 PolarHBondContact O-N 3.38Å; C282-S285 PolarHBondContact O-N 2.87Å; C282-L286 WeakPolarHBondContact O-CG 3.41Å; C282-L286 PolarHBondContact O-N 3.12Å; C282-L286 VanDerWaalsContact O-N 3.1Å
283	W	97.9	Very high	94.1	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.027	37%	0.37	C	S	.	.	H	α-helix	trans	-50.3	-50.2	177.5	178.6	-78.9	0	0	0	112.3	F131 E155 V158 A159 I195 I231 M232 L233 S285 L286 M287	F131-W283 HydrophobicContact CB-CH2 4.41Å; F131-W283 HydrophobicContact CB-CZ2 4.4Å; F131-W283 AromaticContact CD1-CH2 3.51Å; F131-W283 HydrophobicContact CD1-CH2 3.51Å; F131-W283 HydrophobicContact CD1-CZ2 4.29Å; F131-W283 AromaticContact CD1-CZ3 3.92Å; F131-W283 HydrophobicContact CD1-CZ3 3.92Å; F131-W283 HydrophobicContact CD2-CD2 4.19Å; F131-W283 AromaticContact CD2-CE3 4Å; F131-W283 HydrophobicContact CD2-CE3 4Å; F131-W283 AromaticContact CD2-CH2 3.49Å; F131-W283 HydrophobicContact CD2-CH2 3.49Å; F131-W283 VanDerWaalsContact CD2-CH2 3.49Å; F131-W283 AromaticContact CD2-CZ2 3.7Å; F131-W283 HydrophobicContact CD2-CZ2 3.7Å; F131-W283 AromaticContact CD2-CZ3 3.67Å; F131-W283 HydrophobicContact CD2-CZ3 3.67Å; F131-W283 HydrophobicContact CE1-CE3 4.43Å; F131-W283 AromaticContact CE1-CH2 3.54Å; F131-W283 HydrophobicContact CE1-CH2 3.54Å; F131-W283 AromaticContact CE1-CZ3 3.45Å; F131-W283 HydrophobicContact CE1-CZ3 3.45Å; F131-W283 VanDerWaalsContact CE1-CZ3 3.45Å; F131-W283 AromaticContact CE2-CD2 3.92Å; F131-W283 HydrophobicContact CE2-CD2 3.92Å; F131-W283 AromaticContact CE2-CE3 3.36Å; F131-W283 HydrophobicContact CE2-CE3 3.36Å; F131-W283 AromaticContact CE2-CH2 3.52Å; F131-W283 HydrophobicContact CE2-CH2 3.52Å; F131-W283 HydrophobicContact CE2-CZ2 4.06Å; F131-W283 AromaticContact CE2-CZ3 3.16Å; F131-W283 HydrophobicContact CE2-CZ3 3.16Å; F131-W283 AromaticContact CG-CH2 3.5Å; F131-W283 HydrophobicContact CG-CH2 3.5Å; F131-W283 VanDerWaalsContact CG-CH2 3.5Å; F131-W283 AromaticContact CG-CZ2 3.84Å; F131-W283 HydrophobicContact CG-CZ2 3.84Å; F131-W283 HydrophobicContact CG-CZ3 4.04Å; F131-W283 AromaticContact CZ-CE3 3.63Å; F131-W283 HydrophobicContact CZ-CE3 3.63Å; F131-W283 AromaticContact CZ-CH2 3.56Å; F131-W283 HydrophobicContact CZ-CH2 3.56Å; F131-W283 AromaticContact CZ-CZ3 3.04Å; F131-W283 HydrophobicContact CZ-CZ3 3.04Å; E155-W283 HydrophobicContact CB-CH2 4.21Å; E155-W283 HydrophobicContact CB-CZ2 3.87Å; E155-W283 HydrophobicContact CG-CZ2 3.89Å; V158-W283 HydrophobicContact CB-CZ2 4.39Å; V158-W283 HydrophobicContact CG1-CH2 4.2Å; V158-W283 HydrophobicContact CG1-CZ2 3.96Å; A159-W283 HydrophobicContact CB-CH2 3.98Å; A159-W283 HydrophobicContact CB-CZ3 4.12Å; I195-W283 HydrophobicContact CG2-CE3 4.08Å; I195-W283 HydrophobicContact CG2-CZ3 3.75Å; I231-W283 HydrophobicContact CG2-CB 4.1Å; I231-W283 HydrophobicContact CG2-CE3 3.88Å; M232-W283 WeakPolarHBondContact O-CB 3.32Å; M232-W283 PolarHBondContact O-N 2.79Å; L233-W283 HydrophobicContact CB-CB 4.33Å; L233-W283 HydrophobicContact CD1-CB 4.14Å; L233-W283 HydrophobicContact CD1-CD2 4.43Å; L233-W283 HydrophobicContact CD1-CG 3.86Å; W283-S285 PolarHBondContact O-N 3.19Å; W283-L286 PolarHBondContact O-N 2.94Å; W283-M287 HydrophobicContact CG-CG 4.31Å; W283-M287 HydrophobicContact CZ2-SD 4.49Å; W283-M287 WeakPolarHBondContact O-CB 3.43Å; W283-M287 VanDerWaalsContact O-CG 3.23Å; W283-M287 WeakPolarHBondContact O-CG 3.34Å; W283-M287 PolarHBondContact O-N 2.81Å
284	H	95.4	Very high	94.8	Very high	88 Å²	88	59.1 Å²	59.1	41%	0.407	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-42.5	-176.5	-60.7	96.3	0	0	0	112.7	K234 C282 L286 M287 G288	K234-H284 PolarHBondContact O-CE1 3.32Å; C282-H284 VanDerWaalsContact C-N 3.32Å; C282-H284 PolarHBondContact O-N 3.38Å; H284-L286 VanDerWaalsContact C-N 3.35Å; H284-M287 PolarHBondContact O-N 3.26Å; H284-G288 PolarHBondContact O-N 2.7Å
285	S	95.1	Very high	95.3	Very high	89 Å²	89	64.3 Å²	64.3	62%	0.622	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-41.2	178.5	-54.7	0	0	0	0	111.3	C282 W283	C282-S285 PolarHBondContact O-N 2.87Å; W283-S285 PolarHBondContact O-N 3.19Å
286	L	96.9	Very high	95.6	Very high	38 Å²	38	59.4 Å²	59.4	20%	0.199	36%	0.364	C	S	.	.	H	α-helix	trans	-66.2	-43.8	176.6	-68.3	171	0	0	0	111.7	V134 I231 L281 C282 W283 H284 G288 G289	V134-L286 HydrophobicContact CG1-CB 3.81Å; V134-L286 HydrophobicContact CG1-CD1 3.75Å; V134-L286 HydrophobicContact CG1-CD2 4.42Å; V134-L286 HydrophobicContact CG1-CG 4.21Å; V134-L286 HydrophobicContact CG2-CB 3.87Å; I231-L286 HydrophobicContact CD1-CD1 4.11Å; I231-L286 HydrophobicContact CG1-CD1 4.08Å; I231-L286 HydrophobicContact CG2-CD1 4.04Å; L281-L286 HydrophobicContact CB-CD1 3.76Å; L281-L286 HydrophobicContact CB-CG 4.49Å; L281-L286 HydrophobicContact CD1-CD1 4.24Å; C282-L286 WeakPolarHBondContact O-CG 3.41Å; C282-L286 PolarHBondContact O-N 3.12Å; C282-L286 VanDerWaalsContact O-N 3.1Å; W283-L286 PolarHBondContact O-N 2.94Å; H284-L286 VanDerWaalsContact C-N 3.35Å; L286-G288 VanDerWaalsContact C-N 3.33Å; L286-G288 PolarHBondContact O-N 2.71Å; L286-G289 PolarHBondContact O-N 2.98Å
287	M	97	Very high	95.8	Very high	24 Å²	24	61.2 Å²	61.2	12%	0.118	37%	0.371	C	S	.	.	H	α-helix	trans	-65.3	-33.2	-180	-72.7	-66	-75.8	0	0	113.4	K127 R130 F131 W283 H284 G289	K127-M287 HydrophobicContact CB-CE 4.42Å; K127-M287 WeakPolarHBondContact O-CE 3.41Å; R130-M287 HydrophobicContact CB-CE 3.7Å; R130-M287 HydrophobicContact CB-SD 3.93Å; F131-M287 HydrophobicContact CB-CE 4.32Å; F131-M287 HydrophobicContact CB-SD 3.69Å; F131-M287 HydrophobicContact CD2-SD 3.73Å; F131-M287 HydrophobicContact CG-SD 4.17Å; W283-M287 HydrophobicContact CG-CG 4.31Å; W283-M287 HydrophobicContact CZ2-SD 4.49Å; W283-M287 WeakPolarHBondContact O-CB 3.43Å; W283-M287 VanDerWaalsContact O-CG 3.23Å; W283-M287 WeakPolarHBondContact O-CG 3.34Å; W283-M287 PolarHBondContact O-N 2.81Å; H284-M287 PolarHBondContact O-N 3.26Å; M287-G289 VanDerWaalsContact C-N 3.27Å; M287-G289 PolarHBondContact O-N 3.03Å
288	G	92.3	Very high	96.1	Very high	70 Å²	70	59.1 Å²	59.1	72%	0.722	35%	0.35	S	S	*	.	H	α-helix	trans	-67.1	-25.2	179.4	0	0	0	0	0	114.2	H284 L286	H284-G288 PolarHBondContact O-N 2.7Å; L286-G288 VanDerWaalsContact C-N 3.33Å; L286-G288 PolarHBondContact O-N 2.71Å
289	G	87.3	Confident	96.4	Very high	75 Å²	75	52.5 Å²	52.5	77%	0.773	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-5.1	-179.5	0	0	0	0	0	115.3	L286 M287	L286-G289 PolarHBondContact O-N 2.98Å; M287-G289 VanDerWaalsContact C-N 3.27Å; M287-G289 PolarHBondContact O-N 3.03Å
290	A	96.3	Very high	96.6	Very high	22 Å²	22	55.9 Å²	55.9	18%	0.182	33%	0.329	C	S	.	.	S	Bend	trans	-93.5	143	-174.2	0	0	0	0	0	112.6	R130 N133 V134	R130-A290 HydrophobicContact CB-CB 4.08Å; R130-A290 HydrophobicContact CG-CB 4.42Å; R130-A290 WeakPolarHBondContact O-CB 3.42Å; N133-A290 HydrophobicContact CB-CB 4.42Å; V134-A290 HydrophobicContact CG2-CB 3.78Å
291	A	97.4	Very high	96.6	Very high	61 Å²	61	55.7 Å²	55.7	50%	0.504	33%	0.329	S	S	.	.			trans	-68.1	144	173.9	0	0	0	0	0	111.4	R130 N133 E293	R130-A291 VanDerWaalsContact CA-O 3.27Å; R130-A291 WeakPolarHBondContact CA-O 3.11Å; R130-A291 WeakPolarHBondContact CG-O 3.44Å; R130-A291 PolarHBondContact N-O 3.39Å; N133-A291 PolarHBondContact ND2-O 2.78Å; A291-E293 VanDerWaalsContact C-N 3.28Å
292	D	96.1	Very high	96.6	Very high	64 Å²	64	55.5 Å²	55.5	34%	0.342	33%	0.326	S	S	.	.	S	Bend	trans	-85.4	5.2	175.5	43.5	21.7	0	0	0	114.7	Q126 C129 R130	Q126-D292 HydrophobicContact CB-CB 4.08Å; Q126-D292 HydrophobicContact CG-CB 4.16Å; C129-D292 VanDerWaalsContact CB-C 3.47Å; C129-D292 WeakPolarHBondContact CB-O 3.07Å; R130-D292 HydrophobicContact CG-CB 4Å; R130-D292 IonicContact CZ-OD2 2.86Å; R130-D292 IonicContact NE-OD2 3.54Å; R130-D292 IonicContact NH2-OD2 3.9Å; R130-D292 PolarHBondContact NH2-OD2 2.91Å
293	E	97.4	Very high	96.7	Very high	161 Å²	161	56.7 Å²	56.7	75%	0.752	33%	0.332	S	S	*	.			trans	-109.5	131	167.9	-65.7	-177.6	175	0	0	109.8	N133 A291	N133-E293 PolarHBondContact ND2-O 2.81Å; A291-E293 VanDerWaalsContact C-N 3.28Å
294	C	98.3	Very high	96.7	Very high	7 Å²	7	58.7 Å²	58.7	5%	0.047	35%	0.346	C	S	.	.			trans	-147.7	112.4	177.6	-174.7	0	0	0	0	108.4	C129 A132 N133 R165	C129-C294 HydrophobicContact CB-CB 3.77Å; A132-C294 HydrophobicContact CB-CB 4.33Å; N133-C294 PolarHBondContact OD1-SG 3.4Å; R165-C294 PolarHBondContact NE-O 2.84Å; R165-C294 PolarHBondContact NH2-O 3.35Å
295	E	97.7	Very high	96.9	Very high	155 Å²	155	54.8 Å²	54.8	72%	0.724	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-61.9	131.5	175.2	-73.4	-59.6	131.1	0	0	110.8
296	P	97.9	Very high	97.1	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.058	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-70.1	144.2	179.3	30.5	-35.2	0	0	0	111.4	N85 Y88 R165 W298	N85-P296 HydrophobicContact CB-CB 3.98Å; Y88-P296 HydrophobicContact CD2-CG 4.1Å; R165-P296 HydrophobicContact CG-CB 4.23Å; P296-W298 HydrophobicContact CG-CH2 4.17Å; P296-W298 HydrophobicContact CG-CZ2 3.97Å
297	E	98.4	Very high	97.1	Very high	86 Å²	86	48.8 Å²	48.8	40%	0.402	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-78.8	125.2	170.7	-172.3	62	-141.1	0	0	109.4	N85 K142 R165 C299	N85-E297 PolarHBondContact ND2-O 3.24Å; K142-E297 HydrophobicContact CB-CG 4.23Å; K142-E297 HydrophobicContact CD-CG 3.89Å; K142-E297 HydrophobicContact CG-CG 4.33Å; R165-E297 PolarHBondContact O-N 3Å; E297-C299 PolarHBondContact O-N 3.22Å; E297-C299 PolarHBondContact O-SG 3.15Å
298	W	98.4	Very high	97.1	Very high	57 Å²	57	47.9 Å²	47.9	22%	0.216	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-79.7	119	180	-58.7	99	0	0	0	109.7	F53 K55 N85 Y88 K142 P296	F53-W298 HydrophobicContact CD1-CH2 4Å; F53-W298 AromaticContact CD1-CZ3 3.85Å; F53-W298 HydrophobicContact CD1-CZ3 3.85Å; F53-W298 AromaticContact CE1-CH2 3.41Å; F53-W298 HydrophobicContact CE1-CH2 3.41Å; F53-W298 VanDerWaalsContact CE1-CH2 3.41Å; F53-W298 HydrophobicContact CE1-CZ2 4.38Å; F53-W298 AromaticContact CE1-CZ3 3.51Å; F53-W298 HydrophobicContact CE1-CZ3 3.51Å; F53-W298 HydrophobicContact CZ-CH2 4.3Å; K55-W298 HydrophobicContact CB-CD2 4.16Å; K55-W298 HydrophobicContact CB-CE3 3.9Å; K55-W298 HydrophobicContact CB-CZ3 4.3Å; K55-W298 HydrophobicContact CD-CB 3.93Å; K55-W298 HydrophobicContact CD-CD2 3.43Å; K55-W298 VanDerWaalsContact CD-CD2 3.43Å; K55-W298 HydrophobicContact CD-CE3 4.07Å; K55-W298 HydrophobicContact CD-CG 3.33Å; K55-W298 HydrophobicContact CG-CD2 4.42Å; N85-W298 HydrophobicContact CB-CE3 4.1Å; N85-W298 HydrophobicContact CB-CZ3 4.11Å; Y88-W298 HydrophobicContact CD2-CH2 4.18Å; Y88-W298 HydrophobicContact CE2-CH2 4.49Å; Y88-W298 HydrophobicContact CG-CH2 4.22Å; K142-W298 PolarHBondContact NZ-O 3.32Å; P296-W298 HydrophobicContact CG-CH2 4.17Å; P296-W298 HydrophobicContact CG-CZ2 3.97Å
299	C	98.6	Very high	96.7	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.3	-176.1	-58.6	0	0	0	0	110	T83 T84 E297 D303 V324	T83-C299 CarbonylContact C-O 3.54Å; T83-C299 WeakPolarHBondContact CA-O 3.42Å; T84-C299 PolarHBondContact N-O 3.2Å; T84-C299 PolarHBondContact O-N 3Å; T84-C299 VanDerWaalsContact O-O 3.1Å; E297-C299 PolarHBondContact O-N 3.22Å; E297-C299 PolarHBondContact O-SG 3.15Å; C299-D303 WeakPolarHBondContact CA-OD2 3.5Å; C299-D303 HydrophobicContact CB-CB 4.16Å; C299-V324 HydrophobicContact CB-CG2 3.92Å
300	E	98.3	Very high	96.1	Very high	85 Å²	85	42.4 Å²	42.4	40%	0.397	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	155.6	167.7	-61.5	-60.2	144	0	0	109.3	A82 T83 E302 D303	A82-E300 CarbonylContact O-C 3.43Å; T83-E300 HydrophobicContact CG2-CG 4.46Å; T83-E300 WeakPolarHBondContact CG2-OE1 3.45Å; T83-E300 WeakPolarHBondContact CG2-OE2 3.23Å; E300-E302 PolarHBondContact O-N 2.89Å; E300-E302 VanDerWaalsContact O-N 3.15Å; E300-D303 PolarHBondContact N-OD2 3.05Å; E300-D303 WeakPolarHBondContact O-CB 3.47Å; E300-D303 PolarHBondContact O-N 2.79Å
301	S	97.8	Very high	94.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-39.6	-174.8	-168.6	0	0	0	0	114.1	C78 M79 A82 V324 S325	C78-S301 PolarHBondContact O-OG 3.47Å; M79-S301 WeakPolarHBondContact O-CB 3.48Å; M79-S301 PolarHBondContact O-OG 2.92Å; A82-S301 WeakPolarHBondContact O-CB 3.42Å; A82-S301 PolarHBondContact O-N 3.42Å; S301-V324 PolarHBondContact O-N 3.3Å; S301-S325 WeakPolarHBondContact CA-OG 3.42Å; S301-S325 VanDerWaalsContact CB-OG 3.28Å; S301-S325 WeakPolarHBondContact CB-OG 3.26Å; S301-S325 PolarHBondContact O-N 3.47Å; S301-S325 WeakPolarHBondContact OG-CB 3.19Å; S301-S325 PolarHBondContact OG-OG 2.89Å
302	E	97.6	Very high	92.1	Very high	47 Å²	47	44.2 Å²	44.2	22%	0.22	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	12.4	-177.3	-64.6	-57	149.2	0	0	113.3	K77 C78 E300 T323 R521	K77-E302 HydrophobicContact CB-CG 4.35Å; K77-E302 HydrophobicContact CG-CG 4.5Å; C78-E302 WeakPolarHBondContact CA-OE1 3.37Å; C78-E302 PolarHBondContact N-OE1 3.23Å; E300-E302 PolarHBondContact O-N 2.89Å; E300-E302 VanDerWaalsContact O-N 3.15Å; E302-T323 VanDerWaalsContact O-CG2 3.25Å; E302-T323 WeakPolarHBondContact O-CG2 3.3Å; E302-T323 WeakPolarHBondContact OE2-CB 3.32Å; E302-T323 WeakPolarHBondContact OE2-CG2 3.29Å; E302-T323 PolarHBondContact OE2-OG1 3.47Å; E302-R521 IonicContact OE1-CZ 2.69Å; E302-R521 IonicContact OE1-NE 2.93Å; E302-R521 PolarHBondContact OE1-NE 3.45Å; E302-R521 IonicContact OE1-NH2 3.45Å; E302-R521 PolarHBondContact OE1-NH2 3.35Å; E302-R521 IonicContact OE2-CZ 3.92Å; E302-R521 IonicContact OE2-NE 2.71Å; E302-R521 PolarHBondContact OE2-NE 3.25Å; E302-R521 IonicContact OE2-NH2 3.64Å; E302-R521 PolarHBondContact OE2-NH2 3.41Å
303	D	98.6	Very high	89.6	Confident	39 Å²	39	46 Å²	46	21%	0.209	25%	0.249	C	C	.	.	S	Bend	trans	-61.8	140.2	168.6	-81	-30	0	0	0	109.9	K142 C299 E300 L305 T323 V324	K142-D303 WeakPolarHBondContact CE-OD2 3.37Å; K142-D303 IonicContact NZ-OD2 2.71Å; K142-D303 PolarHBondContact NZ-OD2 2.79Å; C299-D303 WeakPolarHBondContact CA-OD2 3.5Å; C299-D303 HydrophobicContact CB-CB 4.16Å; E300-D303 PolarHBondContact N-OD2 3.05Å; E300-D303 WeakPolarHBondContact O-CB 3.47Å; E300-D303 PolarHBondContact O-N 2.79Å; D303-L305 PolarHBondContact O-N 3.19Å; D303-T323 VanDerWaalsContact O-CA 3.25Å; D303-T323 WeakPolarHBondContact O-CA 3.27Å; D303-T323 WeakPolarHBondContact O-CB 3.13Å; D303-V324 HydrophobicContact CB-CG2 4.22Å; D303-V324 WeakPolarHBondContact O-CG2 3.37Å; D303-V324 PolarHBondContact O-N 3Å
304	P	98.6	Very high	87.2	Confident	50 Å²	50	43.3 Å²	43.3	33%	0.325	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	126.1	171.7	-31.8	40	0	0	0	112.2	V169 L321	V169-P304 HydrophobicContact CG1-CB 4.3Å; V169-P304 HydrophobicContact CG2-CB 3.61Å; P304-L321 HydrophobicContact CB-CD1 3.76Å; P304-L321 HydrophobicContact CG-CD1 4.35Å
305	L	98.8	Very high	84.8	Confident	6 Å²	6	46 Å²	46	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-49.8	174.7	178	63.7	0	0	0	111.3	I86 A164 D303 H322 V324 Y327 Y364	I86-L305 HydrophobicContact CD1-CD2 3.74Å; I86-L305 HydrophobicContact CG2-CD1 3.71Å; A164-L305 HydrophobicContact CB-CD1 3.93Å; D303-L305 PolarHBondContact O-N 3.19Å; L305-H322 PolarHBondContact N-O 2.83Å; L305-V324 HydrophobicContact CB-CG2 4.35Å; L305-Y327 HydrophobicContact CD2-CD1 3.73Å; L305-Y327 HydrophobicContact CD2-CE1 4.29Å; L305-Y327 HydrophobicContact CD2-CG 4.33Å; L305-Y364 HydrophobicContact CD2-CE1 4.4Å; L305-Y364 HydrophobicContact CD2-CE2 4.21Å
306	F	98.9	Very high	83	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158.9	179.6	68.7	-98.3	0	0	0	113	H170 L308 H322 Y327 I356 H359 Y364	H170-F306 WeakPolarHBondContact CE1-CB 3.45Å; H170-F306 AromaticContact CE1-CG 3.78Å; H170-F306 VanDerWaalsContact NE2-CB 3.33Å; H170-F306 WeakPolarHBondContact NE2-CB 3.44Å; H170-F306 VanDerWaalsContact O-CA 3.29Å; H170-F306 WeakPolarHBondContact O-CA 3.29Å; H170-F306 WeakPolarHBondContact O-CB 3.33Å; F306-L308 HydrophobicContact CD2-CB 3.95Å; F306-L308 HydrophobicContact CE2-CB 3.87Å; F306-H322 HydrophobicContact CD1-CB 4.13Å; F306-H322 HydrophobicContact CE1-CB 3.61Å; F306-H322 HydrophobicContact CE2-CB 4.05Å; F306-H322 AromaticContact CE2-CD2 3.5Å; F306-H322 HydrophobicContact CZ-CB 3.56Å; F306-H322 AromaticContact CZ-CD2 3.36Å; F306-H322 WeakPolarHBondContact CZ-CD2 3.38Å; F306-H322 AromaticContact CZ-CG 3.59Å; F306-H322 PolarHBondContact N-O 3.12Å; F306-H322 PolarHBondContact O-N 3.31Å; F306-Y327 HydrophobicContact CE1-CD1 4.14Å; F306-Y327 AromaticContact CE1-CD2 3.97Å; F306-Y327 HydrophobicContact CE1-CD2 3.97Å; F306-Y327 AromaticContact CE1-CE1 3.77Å; F306-Y327 HydrophobicContact CE1-CE1 3.77Å; F306-Y327 AromaticContact CE1-CE2 3.59Å; F306-Y327 HydrophobicContact CE1-CE2 3.59Å; F306-Y327 HydrophobicContact CE1-CG 4.23Å; F306-Y327 AromaticContact CE1-CZ 3.46Å; F306-Y327 VanDerWaalsContact CE1-CZ 3.46Å; F306-Y327 HydrophobicContact CZ-CD2 4.16Å; F306-Y327 HydrophobicContact CZ-CE1 4.49Å; F306-Y327 AromaticContact CZ-CE2 3.56Å; F306-Y327 HydrophobicContact CZ-CE2 3.56Å; F306-Y327 AromaticContact CZ-CZ 3.74Å; F306-I356 HydrophobicContact CE2-CD1 4Å; F306-I356 HydrophobicContact CZ-CD1 3.74Å; F306-H359 AromaticContact CD2-CD2 3.86Å; F306-H359 AromaticContact CE2-CD2 3.87Å; F306-Y364 HydrophobicContact CD1-CE2 4.32Å; F306-Y364 HydrophobicContact CE1-CE2 4.41Å
307	I	98.6	Very high	81.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.9	170.7	-59.4	160.3	0	0	0	107.4	R145 V169 H170 S171 Y309 G319 V320 L321 Y524	R145-I307 HydrophobicContact CG-CD1 3.73Å; V169-I307 HydrophobicContact CG1-CD1 3.94Å; V169-I307 HydrophobicContact CG1-CG1 3.81Å; H170-I307 PolarHBondContact O-N 2.93Å; S171-I307 WeakPolarHBondContact CA-O 3.44Å; I307-Y309 HydrophobicContact CG2-CD2 4.24Å; I307-Y309 HydrophobicContact CG2-CE2 3.75Å; I307-G319 VanDerWaalsContact CG2-CA 3.48Å; I307-V320 WeakPolarHBondContact CA-O 3.15Å; I307-L321 HydrophobicContact CG1-CD1 3.93Å; I307-Y524 HydrophobicContact CD1-CD1 3.79Å; I307-Y524 HydrophobicContact CD1-CD2 3.46Å; I307-Y524 VanDerWaalsContact CD1-CD2 3.46Å; I307-Y524 HydrophobicContact CD1-CE1 4.05Å; I307-Y524 HydrophobicContact CD1-CE2 3.75Å; I307-Y524 HydrophobicContact CD1-CG 3.47Å; I307-Y524 VanDerWaalsContact CD1-CG 3.47Å; I307-Y524 HydrophobicContact CG1-CD2 4.04Å; I307-Y524 HydrophobicContact CG1-CG 4.05Å
308	L	95.3	Very high	80.9	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.8	176.3	-173.6	60.5	0	0	0	111	F306 T310 V320 I356 T462	F306-L308 HydrophobicContact CD2-CB 3.95Å; F306-L308 HydrophobicContact CE2-CB 3.87Å; L308-T310 PolarHBondContact O-N 2.97Å; L308-V320 PolarHBondContact N-O 2.79Å; L308-V320 WeakPolarHBondContact O-CB 3.31Å; L308-V320 PolarHBondContact O-N 2.8Å; L308-I356 HydrophobicContact CD2-CB 3.77Å; L308-I356 HydrophobicContact CD2-CD1 4.07Å; L308-T462 HydrophobicContact CB-CG2 4.22Å; L308-T462 HydrophobicContact CD2-CG2 3.84Å; L308-T462 HydrophobicContact CG-CG2 4.17Å
309	Y	85.3	Confident	80.6	Confident	12 Å²	12	40.6 Å²	40.6	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.9	-175.5	-79.1	-84.1	0	0	0	112.8	R185 D188 S189 I307 P317 K318	R185-Y309 HydrophobicContact CB-CD2 3.83Å; R185-Y309 HydrophobicContact CB-CE2 3.92Å; R185-Y309 HydrophobicContact CB-CG 4.26Å; R185-Y309 HydrophobicContact CG-CD1 4Å; R185-Y309 HydrophobicContact CG-CD2 3.67Å; R185-Y309 HydrophobicContact CG-CE1 4.45Å; R185-Y309 HydrophobicContact CG-CE2 4.15Å; R185-Y309 HydrophobicContact CG-CG 3.59Å; R185-Y309 VanDerWaalsContact NE-CB 3.29Å; D188-Y309 VanDerWaalsContact C-OH 3.26Å; D188-Y309 HydrophobicContact CB-CE1 4.09Å; D188-Y309 VanDerWaalsContact CB-OH 3.32Å; D188-Y309 WeakPolarHBondContact CB-OH 3.37Å; D188-Y309 WeakPolarHBondContact OD2-CE1 3.46Å; D188-Y309 VanDerWaalsContact OD2-CZ 3.25Å; D188-Y309 PolarHBondContact OD2-OH 3.11Å; S189-Y309 WeakPolarHBondContact CA-OH 3.34Å; S189-Y309 VanDerWaalsContact CB-OH 3.29Å; S189-Y309 WeakPolarHBondContact CB-OH 3.45Å; S189-Y309 PolarHBondContact N-OH 2.99Å; I307-Y309 HydrophobicContact CG2-CD2 4.24Å; I307-Y309 HydrophobicContact CG2-CE2 3.75Å; Y309-P317 HydrophobicContact CD1-CB 3.51Å; Y309-P317 HydrophobicContact CE1-CB 4.18Å; Y309-P317 HydrophobicContact CG-CB 4.36Å; Y309-K318 WeakPolarHBondContact CA-O 3.14Å
310	T	74.7	Confident	80.5	Confident	19 Å²	19	40.4 Å²	40.4	12%	0.117	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	155.3	173.2	59.2	0	0	0	0	111.2	L308 G312 P317 K318 V320 T462	L308-T310 PolarHBondContact O-N 2.97Å; T310-G312 PolarHBondContact O-N 3.09Å; T310-P317 WeakPolarHBondContact O-CA 3.31Å; T310-K318 PolarHBondContact N-O 3.38Å; T310-K318 PolarHBondContact O-N 3.23Å; T310-K318 WeakPolarHBondContact OG1-CE 3.48Å; T310-K318 PolarHBondContact OG1-O 2.82Å; T310-V320 HydrophobicContact CG2-CG2 3.98Å; T310-T462 HydrophobicContact CG2-CG2 3.6Å
311	S	61.1	Low	80.5	Confident	106 Å²	106	37.2 Å²	37.2	74%	0.741	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	112.1	170.1	54.2	0	0	0	0	109.3
312	G	48.5	Very low	80.5	Confident	15 Å²	15	37.2 Å²	37.2	16%	0.155	23%	0.231	C	C	.	.			trans	-76.7	155.9	171.3	0	0	0	0	0	112	T310 T314 G315	T310-G312 PolarHBondContact O-N 3.09Å; G312-T314 PolarHBondContact O-N 3.24Å; G312-G315 PolarHBondContact O-N 3.35Å; G312-G315 VanDerWaalsContact O-N 3.08Å
313	S	43.9	Very low	80.6	Confident	102 Å²	102	35.2 Å²	35.2	71%	0.713	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.1	172.6	50.8	0	0	0	0	112.7	G315	S313-G315 VanDerWaalsContact C-N 3.33Å; S313-G315 PolarHBondContact O-N 3.09Å
314	T	45.9	Very low	80.6	Confident	104 Å²	104	33.5 Å²	33.5	64%	0.638	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	2	178.7	61.4	0	0	0	0	114.9	G312 K316 R529	G312-T314 PolarHBondContact O-N 3.24Å; T314-K316 VanDerWaalsContact C-N 3.31Å; T314-K316 PolarHBondContact O-N 3.27Å; T314-R529 PolarHBondContact OG1-NH2 2.89Å; T314-R529 VanDerWaalsContact OG1-NH2 3.16Å
315	G	49.1	Very low	80.6	Confident	62 Å²	62	31.1 Å²	31.1	64%	0.639	20%	0.198	S	C	*	.	S	Bend	trans	85.4	-30.5	176.3	0	0	0	0	0	115.8	G312 S313	G312-G315 PolarHBondContact O-N 3.35Å; G312-G315 VanDerWaalsContact O-N 3.08Å; S313-G315 VanDerWaalsContact C-N 3.33Å; S313-G315 PolarHBondContact O-N 3.09Å
316	K	58.6	Low	80.5	Confident	159 Å²	159	30.9 Å²	30.9	69%	0.691	20%	0.196	S	C	*	.	S	Bend	trans	-75.4	133.3	173.6	-71.9	-171.6	179.1	-177.2	0	111.4	T314 R529	T314-K316 VanDerWaalsContact C-N 3.31Å; T314-K316 PolarHBondContact O-N 3.27Å; K316-R529 PolarHBondContact O-NH2 2.78Å
317	P	68.9	Low	80.5	Confident	20 Å²	20	31 Å²	31	13%	0.13	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	148.4	174.6	-22.6	31.3	0	0	0	111.7	Y309 T310 R529	Y309-P317 HydrophobicContact CD1-CB 3.51Å; Y309-P317 HydrophobicContact CE1-CB 4.18Å; Y309-P317 HydrophobicContact CG-CB 4.36Å; T310-P317 WeakPolarHBondContact O-CA 3.31Å; P317-R529 PolarHBondContact O-NH1 3.03Å
318	K	83.2	Confident	80.5	Confident	16 Å²	16	31 Å²	31	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109.7	179.3	179.3	-176	66.4	-168.9	0	108.3	Y309 T310 V320 E463 V523 Y534	Y309-K318 WeakPolarHBondContact CA-O 3.14Å; T310-K318 PolarHBondContact N-O 3.38Å; T310-K318 PolarHBondContact O-N 3.23Å; T310-K318 WeakPolarHBondContact OG1-CE 3.48Å; T310-K318 PolarHBondContact OG1-O 2.82Å; K318-V320 PolarHBondContact O-N 3.17Å; K318-V320 VanDerWaalsContact O-N 3.14Å; K318-E463 WeakPolarHBondContact CE-OE1 3.5Å; K318-E463 IonicContact NZ-OE1 3.98Å; K318-E463 PolarHBondContact NZ-OE1 2.84Å; K318-V523 HydrophobicContact CD-CG2 3.69Å; K318-V523 HydrophobicContact CG-CB 4.24Å; K318-V523 HydrophobicContact CG-CG1 3.65Å; K318-V523 HydrophobicContact CG-CG2 3.49Å; K318-V523 VanDerWaalsContact CG-CG2 3.49Å; K318-Y534 WeakPolarHBondContact CE-OH 3.15Å; K318-Y534 PolarHBondContact NZ-OH 3.45Å
319	G	91.9	Very high	80.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	94.4	179.1	0	0	0	0	0	110.9	I307 L321 V523 Y524	I307-G319 VanDerWaalsContact CG2-CA 3.48Å; G319-L321 PolarHBondContact O-N 3.21Å; G319-V523 CarbonylContact O-C 3.57Å; G319-V523 WeakPolarHBondContact O-CA 3.47Å; G319-Y524 PolarHBondContact O-N 2.91Å
320	V	96.7	Very high	81.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	123.9	177.3	175.4	0	0	0	0	108.8	I307 L308 T310 K318 T462 E463 M520	I307-V320 WeakPolarHBondContact CA-O 3.15Å; L308-V320 PolarHBondContact N-O 2.79Å; L308-V320 WeakPolarHBondContact O-CB 3.31Å; L308-V320 PolarHBondContact O-N 2.8Å; T310-V320 HydrophobicContact CG2-CG2 3.98Å; K318-V320 PolarHBondContact O-N 3.17Å; K318-V320 VanDerWaalsContact O-N 3.14Å; V320-T462 HydrophobicContact CB-CG2 3.91Å; V320-T462 HydrophobicContact CG1-CG2 4.02Å; V320-T462 HydrophobicContact CG2-CG2 4.02Å; V320-E463 HydrophobicContact CG1-CG 4.49Å; V320-E463 HydrophobicContact CG2-CG 4.22Å; V320-M520 HydrophobicContact CG1-CB 3.61Å; V320-M520 HydrophobicContact CG1-CG 4.22Å; V320-M520 HydrophobicContact CG1-SD 3.76Å; V320-M520 HydrophobicContact CG2-SD 4.48Å
321	L	98.6	Very high	82.5	Confident	19 Å²	19	29.3 Å²	29.3	10%	0.099	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.5	-175.9	178.8	68.6	0	0	0	111.7	P304 I307 G319 M520 R521 S522	P304-L321 HydrophobicContact CB-CD1 3.76Å; P304-L321 HydrophobicContact CG-CD1 4.35Å; I307-L321 HydrophobicContact CG1-CD1 3.93Å; G319-L321 PolarHBondContact O-N 3.21Å; L321-M520 WeakPolarHBondContact O-CA 3.47Å; L321-M520 WeakPolarHBondContact O-CB 3.49Å; L321-R521 PolarHBondContact O-N 2.96Å; L321-S522 WeakPolarHBondContact CB-O 3.47Å; L321-S522 PolarHBondContact N-O 2.71Å
322	H	98.8	Very high	84.3	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.4	172.2	-78.4	-80.1	0	0	0	111.3	L305 F306 Y327 T462 G465 G518 M520	L305-H322 PolarHBondContact N-O 2.83Å; F306-H322 HydrophobicContact CD1-CB 4.13Å; F306-H322 HydrophobicContact CE1-CB 3.61Å; F306-H322 HydrophobicContact CE2-CB 4.05Å; F306-H322 AromaticContact CE2-CD2 3.5Å; F306-H322 HydrophobicContact CZ-CB 3.56Å; F306-H322 AromaticContact CZ-CD2 3.36Å; F306-H322 WeakPolarHBondContact CZ-CD2 3.38Å; F306-H322 AromaticContact CZ-CG 3.59Å; F306-H322 PolarHBondContact N-O 3.12Å; F306-H322 PolarHBondContact O-N 3.31Å; H322-Y327 HydrophobicContact CB-CD2 4Å; H322-Y327 HydrophobicContact CB-CG 4.45Å; H322-Y327 AromaticContact CG-CD2 3.8Å; H322-Y327 AromaticContact ND1-CD2 3.57Å; H322-T462 PolarHBondContact NE2-O 3.34Å; H322-G465 VanDerWaalsContact CE1-CA 3.49Å; H322-G465 WeakPolarHBondContact CE1-CA 3.42Å; H322-G518 PolarHBondContact CE1-O 3.29Å; H322-G518 PolarHBondContact ND1-O 2.76Å; H322-M520 PolarHBondContact CE1-N 2.66Å
323	T	98.7	Very high	86.7	Confident	4 Å²	4	24.1 Å²	24.1	3%	0.025	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	171.8	-179	57.1	0	0	0	0	112.2	E302 D303 Y327 R521	E302-T323 VanDerWaalsContact O-CG2 3.25Å; E302-T323 WeakPolarHBondContact O-CG2 3.3Å; E302-T323 WeakPolarHBondContact OE2-CB 3.32Å; E302-T323 WeakPolarHBondContact OE2-CG2 3.29Å; E302-T323 PolarHBondContact OE2-OG1 3.47Å; D303-T323 VanDerWaalsContact O-CA 3.25Å; D303-T323 WeakPolarHBondContact O-CA 3.27Å; D303-T323 WeakPolarHBondContact O-CB 3.13Å; T323-Y327 WeakPolarHBondContact O-CB 3.42Å; T323-R521 HydrophobicContact CG2-CB 4.26Å; T323-R521 HydrophobicContact CG2-CG 3.51Å; T323-R521 PolarHBondContact OG1-NE 3.17Å
324	V	98.7	Very high	89.3	Confident	4 Å²	4	19.2 Å²	19.2	2%	0.024	12%	0.115	C	C	.	.	H	α-helix	trans	-67.2	-64.8	-163.4	-179.2	0	0	0	0	114	T84 I86 C299 S301 D303 L305 L328	T84-V324 HydrophobicContact CG2-CG1 3.66Å; I86-V324 HydrophobicContact CB-CG1 4.34Å; C299-V324 HydrophobicContact CB-CG2 3.92Å; S301-V324 PolarHBondContact O-N 3.3Å; D303-V324 HydrophobicContact CB-CG2 4.22Å; D303-V324 WeakPolarHBondContact O-CG2 3.37Å; D303-V324 PolarHBondContact O-N 3Å; L305-V324 HydrophobicContact CB-CG2 4.35Å; V324-L328 WeakPolarHBondContact O-CB 3.37Å; V324-L328 PolarHBondContact O-N 2.85Å; V324-L328 VanDerWaalsContact O-N 3.07Å
325	S	97.9	Very high	91.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73.8	-50.4	-162.2	-59.4	0	0	0	0	113.4	W54 S301 Y327 L328 L329	W54-S325 WeakPolarHBondContact CH2-OG 3.36Å; W54-S325 WeakPolarHBondContact CZ3-OG 3.44Å; S301-S325 WeakPolarHBondContact CA-OG 3.42Å; S301-S325 VanDerWaalsContact CB-OG 3.28Å; S301-S325 WeakPolarHBondContact CB-OG 3.26Å; S301-S325 PolarHBondContact O-N 3.47Å; S301-S325 WeakPolarHBondContact OG-CB 3.19Å; S301-S325 PolarHBondContact OG-OG 2.89Å; S325-Y327 VanDerWaalsContact C-N 3.26Å; S325-Y327 PolarHBondContact O-N 3.25Å; S325-L328 PolarHBondContact O-N 2.85Å; S325-L329 WeakPolarHBondContact O-CG 3.39Å; S325-L329 PolarHBondContact O-N 2.65Å
326	G	98	Very high	94.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.7	-39.6	-177.4	0	0	0	0	0	111.1	Y330 P517	G326-Y330 VanDerWaalsContact O-CB 3.24Å; G326-Y330 WeakPolarHBondContact O-CB 3.41Å; G326-Y330 PolarHBondContact O-N 3.4Å; G326-P517 CarbonylContact C-O 3.59Å; G326-P517 VanDerWaalsContact C-O 3.32Å; G326-P517 VanDerWaalsContact CA-O 3.24Å; G326-P517 WeakPolarHBondContact CA-O 3.38Å; G326-P517 CarbonylContact O-C 3.55Å
327	Y	98.8	Very high	96.1	Very high	2 Å²	2	8 Å²	8	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-66	-46.2	175.6	-173.4	-89.8	0	0	0	112.5	I86 L305 F306 H322 T323 S325 L329 Y330 A331 I356 H359 S360 Y364	I86-Y327 HydrophobicContact CD1-CD1 4.37Å; L305-Y327 HydrophobicContact CD2-CD1 3.73Å; L305-Y327 HydrophobicContact CD2-CE1 4.29Å; L305-Y327 HydrophobicContact CD2-CG 4.33Å; F306-Y327 HydrophobicContact CE1-CD1 4.14Å; F306-Y327 AromaticContact CE1-CD2 3.97Å; F306-Y327 HydrophobicContact CE1-CD2 3.97Å; F306-Y327 AromaticContact CE1-CE1 3.77Å; F306-Y327 HydrophobicContact CE1-CE1 3.77Å; F306-Y327 AromaticContact CE1-CE2 3.59Å; F306-Y327 HydrophobicContact CE1-CE2 3.59Å; F306-Y327 HydrophobicContact CE1-CG 4.23Å; F306-Y327 AromaticContact CE1-CZ 3.46Å; F306-Y327 VanDerWaalsContact CE1-CZ 3.46Å; F306-Y327 HydrophobicContact CZ-CD2 4.16Å; F306-Y327 HydrophobicContact CZ-CE1 4.49Å; F306-Y327 AromaticContact CZ-CE2 3.56Å; F306-Y327 HydrophobicContact CZ-CE2 3.56Å; F306-Y327 AromaticContact CZ-CZ 3.74Å; H322-Y327 HydrophobicContact CB-CD2 4Å; H322-Y327 HydrophobicContact CB-CG 4.45Å; H322-Y327 AromaticContact CG-CD2 3.8Å; H322-Y327 AromaticContact ND1-CD2 3.57Å; T323-Y327 WeakPolarHBondContact O-CB 3.42Å; S325-Y327 VanDerWaalsContact C-N 3.26Å; S325-Y327 PolarHBondContact O-N 3.25Å; Y327-L329 PolarHBondContact O-N 2.82Å; Y327-Y330 PolarHBondContact O-N 2.72Å; Y327-A331 HydrophobicContact CE1-CB 4.33Å; Y327-A331 VanDerWaalsContact O-CB 3.27Å; Y327-A331 WeakPolarHBondContact O-CB 3.18Å; Y327-A331 PolarHBondContact O-N 2.99Å; Y327-I356 HydrophobicContact CE2-CD1 4.33Å; Y327-H359 WeakPolarHBondContact OH-CB 3.16Å; Y327-S360 WeakPolarHBondContact OH-CA 3.47Å; Y327-S360 PolarHBondContact OH-N 2.9Å; Y327-S360 PolarHBondContact OH-OG 3.42Å; Y327-Y364 HydrophobicContact CD1-CD2 4.36Å; Y327-Y364 AromaticContact CE1-CD2 3.36Å; Y327-Y364 HydrophobicContact CE1-CD2 3.36Å; Y327-Y364 AromaticContact CE1-CE2 3.93Å; Y327-Y364 HydrophobicContact CE1-CE2 3.93Å; Y327-Y364 AromaticContact CE1-CG 3.78Å; Y327-Y364 HydrophobicContact CE1-CG 3.78Å
328	L	98.7	Very high	97.5	Very high	1 Å²	1	7 Å²	7	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-55	-54.3	175.1	168.8	56.7	0	0	0	111.2	F52 I86 N89 L90 V324 S325 Y330 A332 A368	F52-L328 HydrophobicContact CD1-CD1 4.18Å; F52-L328 HydrophobicContact CD1-CD2 4.05Å; F52-L328 HydrophobicContact CD1-CG 4.22Å; F52-L328 HydrophobicContact CE1-CD1 3.93Å; F52-L328 HydrophobicContact CE1-CG 4.3Å; F52-L328 HydrophobicContact CG-CD2 4.44Å; I86-L328 HydrophobicContact CD1-CB 3.75Å; I86-L328 HydrophobicContact CD1-CD1 4.32Å; I86-L328 HydrophobicContact CD1-CG 4.5Å; I86-L328 HydrophobicContact CG1-CB 4.02Å; I86-L328 HydrophobicContact CG1-CD1 3.96Å; I86-L328 HydrophobicContact CG1-CD2 4.27Å; I86-L328 HydrophobicContact CG1-CG 4.28Å; N89-L328 HydrophobicContact CB-CD2 4.03Å; L90-L328 HydrophobicContact CD1-CD1 3.82Å; V324-L328 WeakPolarHBondContact O-CB 3.37Å; V324-L328 PolarHBondContact O-N 2.85Å; V324-L328 VanDerWaalsContact O-N 3.07Å; S325-L328 PolarHBondContact O-N 2.85Å; L328-Y330 VanDerWaalsContact C-N 3.34Å; L328-Y330 PolarHBondContact O-N 2.89Å; L328-A332 WeakPolarHBondContact O-CB 3.27Å; L328-A332 PolarHBondContact O-N 3Å; L328-A368 HydrophobicContact CD1-CB 3.96Å
329	L	98.3	Very high	98.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.3	-46.5	-177.3	-71.7	-177.1	0	0	0	111.5	I48 A49 F52 W54 F62 M79 S325 Y327 T333	I48-L329 HydrophobicContact CG2-CD2 4.35Å; A49-L329 HydrophobicContact CB-CD1 4.06Å; A49-L329 HydrophobicContact CB-CD2 4.16Å; F52-L329 HydrophobicContact CD2-CD2 3.39Å; F52-L329 HydrophobicContact CE2-CD2 3.62Å; F52-L329 HydrophobicContact CG-CD2 4.25Å; W54-L329 HydrophobicContact CZ2-CD1 4.32Å; W54-L329 HydrophobicContact CZ2-CD2 4.1Å; W54-L329 HydrophobicContact CZ2-CG 4.25Å; F62-L329 HydrophobicContact CZ-CD1 3.7Å; M79-L329 HydrophobicContact SD-CD1 3.35Å; M79-L329 WeakPolarHBondContact SD-CD1 3.42Å; M79-L329 HydrophobicContact SD-CG 4.49Å; S325-L329 WeakPolarHBondContact O-CG 3.39Å; S325-L329 PolarHBondContact O-N 2.65Å; Y327-L329 PolarHBondContact O-N 2.82Å; L329-T333 VanDerWaalsContact O-CB 3.26Å; L329-T333 WeakPolarHBondContact O-CB 3.36Å; L329-T333 PolarHBondContact O-N 2.83Å; L329-T333 PolarHBondContact O-OG1 3.44Å
330	Y	98.8	Very high	98.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-67.7	-51.3	-176.1	-158	-115	0	0	0	111.6	W45 G326 Y327 L328 A332 T333 T334 H467 F487 V490 W516 P517	W45-Y330 AromaticContact CH2-CD2 3.67Å; W45-Y330 HydrophobicContact CH2-CD2 3.67Å; W45-Y330 AromaticContact CH2-CE2 3.81Å; W45-Y330 HydrophobicContact CH2-CE2 3.81Å; W45-Y330 HydrophobicContact CZ2-CD2 4.32Å; W45-Y330 HydrophobicContact CZ2-CE2 4.24Å; W45-Y330 HydrophobicContact CZ3-CD2 4.27Å; G326-Y330 VanDerWaalsContact O-CB 3.24Å; G326-Y330 WeakPolarHBondContact O-CB 3.41Å; G326-Y330 PolarHBondContact O-N 3.4Å; Y327-Y330 PolarHBondContact O-N 2.72Å; L328-Y330 VanDerWaalsContact C-N 3.34Å; L328-Y330 PolarHBondContact O-N 2.89Å; Y330-A332 VanDerWaalsContact C-N 3.32Å; Y330-A332 PolarHBondContact O-N 2.82Å; Y330-T333 PolarHBondContact O-N 3.12Å; Y330-T334 HydrophobicContact CD1-CG2 4.03Å; Y330-T334 HydrophobicContact CD2-CG2 4.41Å; Y330-T334 HydrophobicContact CE1-CG2 3.77Å; Y330-T334 HydrophobicContact CE2-CG2 4.19Å; Y330-T334 HydrophobicContact CG-CG2 4.32Å; Y330-T334 WeakPolarHBondContact O-CG2 3.48Å; Y330-T334 PolarHBondContact O-N 3.3Å; Y330-T334 PolarHBondContact O-OG1 3.07Å; Y330-H467 PolarHBondContact OH-O 2.79Å; Y330-F487 AromaticContact CE2-CD1 3.91Å; Y330-F487 HydrophobicContact CE2-CD1 3.91Å; Y330-F487 HydrophobicContact CE2-CE1 4.18Å; Y330-F487 AromaticContact CZ-CD1 3.97Å; Y330-V490 WeakPolarHBondContact OH-CG2 3.4Å; Y330-W516 AromaticContact CD1-CD1 3.92Å; Y330-W516 AromaticContact CE1-CD1 3.47Å; Y330-W516 VanDerWaalsContact CE1-CD1 3.47Å; Y330-W516 AromaticContact CE1-NE1 3.76Å; Y330-W516 HydrophobicContact CE2-CB 4.2Å; Y330-W516 AromaticContact CE2-CD1 3.64Å; Y330-W516 HydrophobicContact CE2-CG 4.21Å; Y330-W516 AromaticContact CZ-CD1 3.34Å; Y330-W516 AromaticContact CZ-NE1 3.98Å; Y330-P517 HydrophobicContact CD2-CB 4.45Å; Y330-P517 HydrophobicContact CD2-CG 4.49Å
331	A	98.9	Very high	98.6	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.008	3%	0.034	C	C	.	.	H	α-helix	trans	-61.7	-38.9	-179.2	0	0	0	0	0	112.4	Y327 T334 F335 G365	Y327-A331 HydrophobicContact CE1-CB 4.33Å; Y327-A331 VanDerWaalsContact O-CB 3.27Å; Y327-A331 WeakPolarHBondContact O-CB 3.18Å; Y327-A331 PolarHBondContact O-N 2.99Å; A331-T334 PolarHBondContact O-OG1 3.23Å; A331-F335 WeakPolarHBondContact O-CB 3.35Å; A331-F335 PolarHBondContact O-N 3.48Å; A331-F335 VanDerWaalsContact O-N 3.1Å; A331-G365 WeakPolarHBondContact O-CA 3.46Å
332	A	98.8	Very high	98.5	Very high	2 Å²	2	7.4 Å²	7.4	2%	0.017	4%	0.036	C	C	.	.	H	α-helix	trans	-67.9	-41.6	176.5	0	0	0	0	0	112.1	F52 L328 Y330 K336 A368 N369	F52-A332 HydrophobicContact CE1-CB 4.11Å; F52-A332 HydrophobicContact CE2-CB 4.48Å; F52-A332 HydrophobicContact CZ-CB 3.52Å; L328-A332 WeakPolarHBondContact O-CB 3.27Å; L328-A332 PolarHBondContact O-N 3Å; Y330-A332 VanDerWaalsContact C-N 3.32Å; Y330-A332 PolarHBondContact O-N 2.82Å; A332-K336 WeakPolarHBondContact O-CB 3.44Å; A332-K336 PolarHBondContact O-N 3.32Å; A332-K336 VanDerWaalsContact O-N 3.08Å; A332-A368 HydrophobicContact CB-CB 3.59Å; A332-N369 PolarHBondContact O-ND2 3.4Å
333	T	98.9	Very high	98.3	Very high	9 Å²	9	11.9 Å²	11.9	6%	0.055	7%	0.065	C	C	.	.	H	α-helix	trans	-70.5	-47.8	-179	-54.9	0	0	0	0	111.5	W45 I48 L329 Y330 F335 K336 L337 F487	W45-T333 HydrophobicContact CZ3-CG2 4.14Å; I48-T333 HydrophobicContact CD1-CG2 3.87Å; I48-T333 WeakPolarHBondContact CG2-OG1 3.41Å; L329-T333 VanDerWaalsContact O-CB 3.26Å; L329-T333 WeakPolarHBondContact O-CB 3.36Å; L329-T333 PolarHBondContact O-N 2.83Å; L329-T333 PolarHBondContact O-OG1 3.44Å; Y330-T333 PolarHBondContact O-N 3.12Å; T333-F335 VanDerWaalsContact C-N 3.33Å; T333-F335 PolarHBondContact O-N 2.92Å; T333-K336 PolarHBondContact O-N 3.3Å; T333-L337 HydrophobicContact CG2-CD1 3.87Å; T333-L337 HydrophobicContact CG2-CG 4.4Å; T333-L337 WeakPolarHBondContact O-CG 3.34Å; T333-L337 PolarHBondContact O-N 2.82Å; T333-F487 HydrophobicContact CG2-CE1 4.27Å; T333-F487 HydrophobicContact CG2-CZ 4.07Å
334	T	98.9	Very high	98	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-42.4	178.7	55.9	0	0	0	0	110.7	Y330 A331 V338 Y361 H467 F487	Y330-T334 HydrophobicContact CD1-CG2 4.03Å; Y330-T334 HydrophobicContact CD2-CG2 4.41Å; Y330-T334 HydrophobicContact CE1-CG2 3.77Å; Y330-T334 HydrophobicContact CE2-CG2 4.19Å; Y330-T334 HydrophobicContact CG-CG2 4.32Å; Y330-T334 WeakPolarHBondContact O-CG2 3.48Å; Y330-T334 PolarHBondContact O-N 3.3Å; Y330-T334 PolarHBondContact O-OG1 3.07Å; A331-T334 PolarHBondContact O-OG1 3.23Å; T334-V338 WeakPolarHBondContact O-CB 3.36Å; T334-V338 WeakPolarHBondContact O-CG2 3.46Å; T334-V338 PolarHBondContact O-N 2.87Å; T334-Y361 WeakPolarHBondContact CB-OH 3.39Å; T334-Y361 WeakPolarHBondContact OG1-CE1 3.43Å; T334-Y361 PolarHBondContact OG1-OH 3.48Å; T334-H467 HydrophobicContact CG2-CB 4.25Å; T334-F487 HydrophobicContact CG2-CD1 3.69Å; T334-F487 HydrophobicContact CG2-CE1 3.38Å; T334-F487 HydrophobicContact CG2-CE2 4.42Å; T334-F487 HydrophobicContact CG2-CG 4.32Å; T334-F487 HydrophobicContact CG2-CZ 3.79Å
335	F	98.9	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.7	-53.2	174.6	171.3	-96.7	0	0	0	111.4	A331 T333 L337 F339 H341 Y347 Y361 P366 N369 A371	A331-F335 WeakPolarHBondContact O-CB 3.35Å; A331-F335 PolarHBondContact O-N 3.48Å; A331-F335 VanDerWaalsContact O-N 3.1Å; T333-F335 VanDerWaalsContact C-N 3.33Å; T333-F335 PolarHBondContact O-N 2.92Å; F335-L337 PolarHBondContact O-N 3.16Å; F335-F339 AromaticContact CD2-CD2 3.76Å; F335-F339 HydrophobicContact CD2-CD2 3.76Å; F335-F339 HydrophobicContact CD2-CE2 4.29Å; F335-F339 HydrophobicContact CE2-CD2 4.17Å; F335-F339 WeakPolarHBondContact O-CB 3.24Å; F335-F339 PolarHBondContact O-N 2.87Å; F335-H341 HydrophobicContact CD1-CB 4.36Å; F335-H341 HydrophobicContact CE1-CB 3.7Å; F335-H341 AromaticContact CE1-CD2 3.64Å; F335-H341 AromaticContact CE1-CG 3.49Å; F335-H341 VanDerWaalsContact CE1-CG 3.49Å; F335-H341 HydrophobicContact CZ-CB 4.11Å; F335-H341 AromaticContact CZ-CG 3.81Å; F335-H341 AromaticContact CZ-ND1 3.91Å; F335-Y347 HydrophobicContact CD2-CE2 4.31Å; F335-Y347 AromaticContact CE2-CD1 3.95Å; F335-Y347 HydrophobicContact CE2-CD1 3.95Å; F335-Y347 AromaticContact CE2-CD2 3.6Å; F335-Y347 HydrophobicContact CE2-CD2 3.6Å; F335-Y347 HydrophobicContact CE2-CE1 4.03Å; F335-Y347 AromaticContact CE2-CE2 3.7Å; F335-Y347 HydrophobicContact CE2-CE2 3.7Å; F335-Y347 AromaticContact CE2-CG 3.72Å; F335-Y347 HydrophobicContact CE2-CG 3.72Å; F335-Y347 AromaticContact CE2-CZ 3.87Å; F335-Y347 HydrophobicContact CZ-CD2 4.23Å; F335-Y347 HydrophobicContact CZ-CG 4.12Å; F335-Y361 HydrophobicContact CB-CD1 4.14Å; F335-Y361 HydrophobicContact CB-CE1 4.19Å; F335-Y361 HydrophobicContact CD2-CD1 4.41Å; F335-P366 HydrophobicContact CD2-CB 4.36Å; F335-P366 HydrophobicContact CD2-CG 3.75Å; F335-P366 HydrophobicContact CE1-CB 4.33Å; F335-P366 HydrophobicContact CE2-CB 3.89Å; F335-P366 HydrophobicContact CE2-CG 3.59Å; F335-P366 HydrophobicContact CG-CG 4.38Å; F335-P366 HydrophobicContact CZ-CB 3.86Å; F335-P366 HydrophobicContact CZ-CG 4.1Å; F335-N369 HydrophobicContact CD1-CB 3.92Å; F335-N369 WeakPolarHBondContact CD1-ND2 3.48Å; F335-N369 HydrophobicContact CE1-CB 3.86Å; F335-A371 HydrophobicContact CE1-CB 3.99Å; F335-A371 HydrophobicContact CZ-CB 3.79Å
336	K	98.7	Very high	98.1	Very high	65 Å²	65	18 Å²	18	28%	0.283	10%	0.098	S	C	.	.	H	α-helix	trans	-58.3	-48.1	-175.5	-175.7	178.8	176.5	179.6	0	112	A332 T333 D340 H341 N369	A332-K336 WeakPolarHBondContact O-CB 3.44Å; A332-K336 PolarHBondContact O-N 3.32Å; A332-K336 VanDerWaalsContact O-N 3.08Å; T333-K336 PolarHBondContact O-N 3.3Å; K336-D340 CarbonylContact O-C 3.36Å; K336-D340 WeakPolarHBondContact O-CA 3.36Å; K336-D340 PolarHBondContact O-N 3.2Å; K336-D340 VanDerWaalsContact O-N 3.17Å; K336-H341 PolarHBondContact O-N 3.47Å; K336-N369 WeakPolarHBondContact CB-OD1 3.43Å
337	L	98.6	Very high	98.1	Very high	23 Å²	23	18 Å²	18	12%	0.12	10%	0.098	C	C	.	.	H	α-helix	trans	-86.8	-36	-169.9	-58.9	-175.3	0	0	0	113.2	H23 I24 T333 F335 D340 L472 F487 F488	H23-L337 HydrophobicContact CB-CD2 3.67Å; I24-L337 HydrophobicContact CD1-CD2 4.44Å; I24-L337 HydrophobicContact CG1-CD2 4.46Å; T333-L337 HydrophobicContact CG2-CD1 3.87Å; T333-L337 HydrophobicContact CG2-CG 4.4Å; T333-L337 WeakPolarHBondContact O-CG 3.34Å; T333-L337 PolarHBondContact O-N 2.82Å; F335-L337 PolarHBondContact O-N 3.16Å; L337-D340 PolarHBondContact O-N 3.45Å; L337-L472 HydrophobicContact CB-CD2 4.37Å; L337-F487 HydrophobicContact CB-CE2 4.24Å; L337-F487 HydrophobicContact CB-CZ 4.4Å; L337-F487 HydrophobicContact CD1-CZ 4.27Å; L337-F488 HydrophobicContact CD1-CD2 3.99Å; L337-F488 HydrophobicContact CD1-CE2 3.63Å
338	V	98.7	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-75.9	-36.9	-178.2	179.4	0	0	0	0	111.1	T334 D340 V456 T458 H467 T470 L472 P473 F487	T334-V338 WeakPolarHBondContact O-CB 3.36Å; T334-V338 WeakPolarHBondContact O-CG2 3.46Å; T334-V338 PolarHBondContact O-N 2.87Å; V338-D340 VanDerWaalsContact C-N 3.31Å; V338-V456 HydrophobicContact CG1-CB 4Å; V338-V456 HydrophobicContact CG1-CG1 4.34Å; V338-V456 HydrophobicContact CG1-CG2 3.95Å; V338-V456 WeakPolarHBondContact O-CG1 3.46Å; V338-T458 HydrophobicContact CG1-CG2 4Å; V338-H467 HydrophobicContact CG2-CB 4.43Å; V338-T470 HydrophobicContact CB-CG2 4.42Å; V338-T470 HydrophobicContact CG1-CG2 3.96Å; V338-T470 HydrophobicContact CG2-CG2 3.52Å; V338-L472 HydrophobicContact CG2-CD2 4.02Å; V338-P473 WeakPolarHBondContact O-CD 3.44Å; V338-F487 HydrophobicContact CG2-CD2 4Å; V338-F487 HydrophobicContact CG2-CE2 3.75Å
339	F	98.6	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.5	173	-63.3	-68.6	0	0	0	113.2	F335 H341 Y347 Y361 K399 Y401 V456 H467	F335-F339 AromaticContact CD2-CD2 3.76Å; F335-F339 HydrophobicContact CD2-CD2 3.76Å; F335-F339 HydrophobicContact CD2-CE2 4.29Å; F335-F339 HydrophobicContact CE2-CD2 4.17Å; F335-F339 WeakPolarHBondContact O-CB 3.24Å; F335-F339 PolarHBondContact O-N 2.87Å; F339-H341 VanDerWaalsContact C-N 3.26Å; F339-H341 PolarHBondContact O-N 3.43Å; F339-Y347 AromaticContact CD1-CE2 3.99Å; F339-Y347 HydrophobicContact CD1-CE2 3.99Å; F339-Y347 AromaticContact CD2-CE2 3.78Å; F339-Y347 HydrophobicContact CD2-CE2 3.78Å; F339-Y347 HydrophobicContact CE1-CE2 4.06Å; F339-Y347 AromaticContact CE2-CE2 3.84Å; F339-Y347 HydrophobicContact CE2-CE2 3.84Å; F339-Y347 HydrophobicContact CG-CD2 4.35Å; F339-Y347 AromaticContact CG-CE2 3.86Å; F339-Y347 HydrophobicContact CG-CE2 3.86Å; F339-Y347 AromaticContact CZ-CE2 3.99Å; F339-Y347 HydrophobicContact CZ-CE2 3.99Å; F339-Y361 HydrophobicContact CE2-CD1 4.33Å; F339-K399 VanDerWaalsContact O-CD 3.28Å; F339-K399 WeakPolarHBondContact O-CD 3.04Å; F339-K399 VanDerWaalsContact O-CE 3.26Å; F339-K399 WeakPolarHBondContact O-CE 3.16Å; F339-K399 PolarHBondContact O-NZ 3.15Å; F339-Y401 HydrophobicContact CE1-CD1 4.3Å; F339-Y401 AromaticContact CE1-CD2 3.89Å; F339-Y401 HydrophobicContact CE1-CD2 3.89Å; F339-Y401 HydrophobicContact CE1-CE2 4.37Å; F339-Y401 AromaticContact CE1-CG 3.82Å; F339-Y401 HydrophobicContact CE1-CG 3.82Å; F339-Y401 HydrophobicContact CE2-CD1 4.35Å; F339-Y401 HydrophobicContact CE2-CE1 4.43Å; F339-Y401 AromaticContact CZ-CD1 3.56Å; F339-Y401 HydrophobicContact CZ-CD1 3.56Å; F339-Y401 AromaticContact CZ-CD2 3.75Å; F339-Y401 HydrophobicContact CZ-CD2 3.75Å; F339-Y401 AromaticContact CZ-CE1 3.77Å; F339-Y401 HydrophobicContact CZ-CE1 3.77Å; F339-Y401 AromaticContact CZ-CE2 3.92Å; F339-Y401 HydrophobicContact CZ-CE2 3.92Å; F339-Y401 AromaticContact CZ-CG 3.53Å; F339-Y401 HydrophobicContact CZ-CG 3.53Å; F339-Y401 AromaticContact CZ-CZ 3.92Å; F339-V456 HydrophobicContact CD1-CG2 4.16Å; F339-V456 HydrophobicContact CE1-CG2 3.87Å; F339-H467 AromaticContact CE2-CE1 3.81Å
340	D	97.9	Very high	98	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	55.4	-172.8	-171.3	57	0	0	0	111.1	S22 H23 K336 L337 V338 Q342 K399 P473	S22-D340 VanDerWaalsContact CA-OD1 3.27Å; S22-D340 WeakPolarHBondContact CA-OD1 3.23Å; S22-D340 WeakPolarHBondContact CA-OD2 3.32Å; S22-D340 PolarHBondContact OG-OD1 3.03Å; H23-D340 IonicContact CD2-OD1 2.79Å; H23-D340 PolarHBondContact CD2-OD1 2.77Å; H23-D340 IonicContact CG-OD1 3.61Å; H23-D340 PolarHBondContact N-OD1 2.83Å; K336-D340 CarbonylContact O-C 3.36Å; K336-D340 WeakPolarHBondContact O-CA 3.36Å; K336-D340 PolarHBondContact O-N 3.2Å; K336-D340 VanDerWaalsContact O-N 3.17Å; L337-D340 PolarHBondContact O-N 3.45Å; V338-D340 VanDerWaalsContact C-N 3.31Å; D340-Q342 PolarHBondContact O-N 2.95Å; D340-Q342 PolarHBondContact OD2-NE2 2.98Å; D340-K399 PolarHBondContact O-NZ 3.43Å; D340-P473 HydrophobicContact CB-CG 3.67Å
341	H	97.9	Very high	97.5	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.046	12%	0.119	C	C	.	.			trans	-72.1	126	-170.3	178.8	65.4	0	0	0	110.9	H23 F335 K336 F339 D345 A371	H23-H341 PolarHBondContact NE2-O 3.07Å; F335-H341 HydrophobicContact CD1-CB 4.36Å; F335-H341 HydrophobicContact CE1-CB 3.7Å; F335-H341 AromaticContact CE1-CD2 3.64Å; F335-H341 AromaticContact CE1-CG 3.49Å; F335-H341 VanDerWaalsContact CE1-CG 3.49Å; F335-H341 HydrophobicContact CZ-CB 4.11Å; F335-H341 AromaticContact CZ-CG 3.81Å; F335-H341 AromaticContact CZ-ND1 3.91Å; K336-H341 PolarHBondContact O-N 3.47Å; F339-H341 VanDerWaalsContact C-N 3.26Å; F339-H341 PolarHBondContact O-N 3.43Å; H341-D345 IonicContact ND1-OD2 2.74Å; H341-A371 VanDerWaalsContact CE1-CB 3.48Å; H341-A371 WeakPolarHBondContact CE1-CB 3.29Å; H341-A371 WeakPolarHBondContact NE2-CA 3.41Å; H341-A371 WeakPolarHBondContact NE2-CB 3.45Å
342	Q	96.4	Very high	97.1	Very high	30 Å²	30	22.2 Å²	22.2	14%	0.14	13%	0.126	C	C	.	.			trans	-106.5	154.8	174.1	-54.8	-57.3	-25.1	0	0	110.6	E21 H23 D340 D344 D345	E21-Q342 PolarHBondContact O-NE2 2.97Å; H23-Q342 PolarHBondContact NE2-NE2 2.87Å; D340-Q342 PolarHBondContact O-N 2.95Å; D340-Q342 PolarHBondContact OD2-NE2 2.98Å; Q342-D344 WeakPolarHBondContact CB-OD1 3.2Å; Q342-D344 PolarHBondContact O-N 2.98Å; Q342-D344 VanDerWaalsContact O-N 3.1Å; Q342-D345 WeakPolarHBondContact CB-OD2 3.44Å; Q342-D345 PolarHBondContact N-OD2 2.65Å; Q342-D345 WeakPolarHBondContact O-CB 3.22Å; Q342-D345 PolarHBondContact O-N 3.35Å
343	P	94.4	Very high	96.9	Very high	95 Å²	95	22.1 Å²	22.1	62%	0.617	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-26.9	-174.1	-27.7	36.2	0	0	0	115.8	K103	K103-P343 PolarHBondContact NZ-O 3.28Å
344	D	94.2	Very high	96.2	Very high	117 Å²	117	22 Å²	22	63%	0.626	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.8	-179.9	64.2	-37.1	0	0	0	113.7	Q342	Q342-D344 WeakPolarHBondContact CB-OD1 3.2Å; Q342-D344 PolarHBondContact O-N 2.98Å; Q342-D344 VanDerWaalsContact O-N 3.1Å
345	D	98.2	Very high	95.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-69.7	141.2	-178.9	-78.9	-40.4	0	0	0	112.8	H341 Q342 T398 K399 K427	H341-D345 IonicContact ND1-OD2 2.74Å; Q342-D345 WeakPolarHBondContact CB-OD2 3.44Å; Q342-D345 PolarHBondContact N-OD2 2.65Å; Q342-D345 WeakPolarHBondContact O-CB 3.22Å; Q342-D345 PolarHBondContact O-N 3.35Å; D345-T398 WeakPolarHBondContact CA-OG1 3.43Å; D345-T398 WeakPolarHBondContact CB-OG1 3.05Å; D345-T398 VanDerWaalsContact OD1-CB 3.28Å; D345-T398 WeakPolarHBondContact OD1-CB 3.07Å; D345-T398 PolarHBondContact OD1-OG1 3Å; D345-K399 HydrophobicContact CB-CG 4.39Å; D345-K399 WeakPolarHBondContact OD1-CE 3.41Å; D345-K399 WeakPolarHBondContact OD2-CE 3.48Å; D345-K399 IonicContact OD2-NZ 3.61Å; D345-K399 PolarHBondContact OD2-NZ 2.92Å; D345-K427 IonicContact OD1-NZ 3.45Å
346	V	98.8	Very high	95.4	Very high	19 Å²	19	27.2 Å²	27.2	12%	0.115	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.6	165.8	179.7	0	0	0	0	108.3	F107 T372 V374 V397 T398 K399	F107-V346 HydrophobicContact CD2-CG1 4.41Å; F107-V346 HydrophobicContact CE2-CG1 4.43Å; V346-T372 HydrophobicContact CG2-CG2 4.32Å; V346-V374 HydrophobicContact CG1-CG2 4.1Å; V346-V397 HydrophobicContact CG1-CG2 4.19Å; V346-T398 PolarHBondContact N-OG1 3.1Å; V346-T398 PolarHBondContact O-N 3.34Å; V346-T398 PolarHBondContact O-OG1 3.49Å; V346-K399 PolarHBondContact O-N 3.04Å
347	Y	98.9	Very high	95.2	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.3	-175.6	170.7	-90.4	0	0	0	111	F335 F339 C349 Y361 P366 T372 S373 V374 K399 Y401	F335-Y347 HydrophobicContact CD2-CE2 4.31Å; F335-Y347 AromaticContact CE2-CD1 3.95Å; F335-Y347 HydrophobicContact CE2-CD1 3.95Å; F335-Y347 AromaticContact CE2-CD2 3.6Å; F335-Y347 HydrophobicContact CE2-CD2 3.6Å; F335-Y347 HydrophobicContact CE2-CE1 4.03Å; F335-Y347 AromaticContact CE2-CE2 3.7Å; F335-Y347 HydrophobicContact CE2-CE2 3.7Å; F335-Y347 AromaticContact CE2-CG 3.72Å; F335-Y347 HydrophobicContact CE2-CG 3.72Å; F335-Y347 AromaticContact CE2-CZ 3.87Å; F335-Y347 HydrophobicContact CZ-CD2 4.23Å; F335-Y347 HydrophobicContact CZ-CG 4.12Å; F339-Y347 AromaticContact CD1-CE2 3.99Å; F339-Y347 HydrophobicContact CD1-CE2 3.99Å; F339-Y347 AromaticContact CD2-CE2 3.78Å; F339-Y347 HydrophobicContact CD2-CE2 3.78Å; F339-Y347 HydrophobicContact CE1-CE2 4.06Å; F339-Y347 AromaticContact CE2-CE2 3.84Å; F339-Y347 HydrophobicContact CE2-CE2 3.84Å; F339-Y347 HydrophobicContact CG-CD2 4.35Å; F339-Y347 AromaticContact CG-CE2 3.86Å; F339-Y347 HydrophobicContact CG-CE2 3.86Å; F339-Y347 AromaticContact CZ-CE2 3.99Å; F339-Y347 HydrophobicContact CZ-CE2 3.99Å; Y347-C349 HydrophobicContact CE1-CB 3.63Å; Y347-C349 WeakPolarHBondContact OH-CB 3.24Å; Y347-Y361 WeakPolarHBondContact CE1-O 3.38Å; Y347-Y361 WeakPolarHBondContact OH-CB 3.25Å; Y347-Y361 PolarHBondContact OH-O 3.32Å; Y347-P366 HydrophobicContact CD1-CG 4.29Å; Y347-P366 HydrophobicContact CE1-CG 4.08Å; Y347-T372 PolarHBondContact N-O 3.19Å; Y347-S373 CarbonylContact O-C 3.56Å; Y347-S373 WeakPolarHBondContact O-CA 3.48Å; Y347-V374 PolarHBondContact O-N 3.23Å; Y347-K399 HydrophobicContact CD2-CB 3.65Å; Y347-K399 HydrophobicContact CD2-CG 4.48Å; Y347-K399 HydrophobicContact CE2-CB 4.49Å; Y347-K399 HydrophobicContact CG-CB 4.45Å; Y347-Y401 VanDerWaalsContact OH-CD1 3.29Å; Y347-Y401 WeakPolarHBondContact OH-CD1 3.42Å
348	W	98.9	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	113.8	174	-175	19.7	0	0	0	111.9	T350 V374 F376 M388 I391 V392 V397 K399 F400 Y401	W348-T350 HydrophobicContact CD2-CG2 4.32Å; W348-T350 HydrophobicContact CZ2-CG2 4.17Å; W348-V374 HydrophobicContact CB-CB 3.92Å; W348-V374 HydrophobicContact CB-CG2 4.22Å; W348-V374 VanDerWaalsContact CD1-O 3.26Å; W348-V374 HydrophobicContact CD2-CB 4.18Å; W348-V374 HydrophobicContact CD2-CG1 4.13Å; W348-V374 HydrophobicContact CG-CB 3.65Å; W348-V374 HydrophobicContact CG-CG1 4.07Å; W348-V374 HydrophobicContact CG-CG2 4.34Å; W348-F376 HydrophobicContact CZ2-CB 3.87Å; W348-F376 AromaticContact CZ2-CD1 3.86Å; W348-F376 HydrophobicContact CZ2-CD1 3.86Å; W348-F376 AromaticContact CZ2-CG 3.86Å; W348-F376 HydrophobicContact CZ2-CG 3.86Å; W348-M388 HydrophobicContact CH2-CB 4.07Å; W348-M388 HydrophobicContact CH2-CG 3.93Å; W348-M388 HydrophobicContact CZ3-CB 4.26Å; W348-M388 WeakPolarHBondContact CZ3-O 3.09Å; W348-I391 HydrophobicContact CD2-CG2 4.27Å; W348-I391 HydrophobicContact CE3-CB 4.44Å; W348-I391 HydrophobicContact CE3-CG2 3.81Å; W348-I391 HydrophobicContact CH2-CB 3.61Å; W348-I391 HydrophobicContact CH2-CD1 3.63Å; W348-I391 HydrophobicContact CH2-CG1 4.21Å; W348-I391 HydrophobicContact CH2-CG2 3.5Å; W348-I391 HydrophobicContact CZ2-CB 4.46Å; W348-I391 HydrophobicContact CZ2-CD1 4.01Å; W348-I391 HydrophobicContact CZ2-CG2 3.97Å; W348-I391 HydrophobicContact CZ3-CB 3.6Å; W348-I391 HydrophobicContact CZ3-CD1 4.5Å; W348-I391 HydrophobicContact CZ3-CG2 3.42Å; W348-I391 VanDerWaalsContact CZ3-CG2 3.42Å; W348-V392 HydrophobicContact CE3-CG2 4.11Å; W348-V392 HydrophobicContact CZ3-CG2 4.03Å; W348-V397 HydrophobicContact CB-CG1 3.8Å; W348-V397 HydrophobicContact CB-CG2 4.14Å; W348-V397 HydrophobicContact CE3-CG2 4.22Å; W348-K399 PolarHBondContact N-O 2.62Å; W348-F400 HydrophobicContact CB-CD2 4.35Å; W348-F400 HydrophobicContact CD2-CD2 4.05Å; W348-F400 AromaticContact CD2-CE2 3.92Å; W348-F400 HydrophobicContact CD2-CE2 3.92Å; W348-F400 AromaticContact CE3-CD2 3.59Å; W348-F400 HydrophobicContact CE3-CD2 3.59Å; W348-F400 AromaticContact CE3-CE2 3.47Å; W348-F400 HydrophobicContact CE3-CE2 3.47Å; W348-F400 VanDerWaalsContact CE3-CE2 3.47Å; W348-F400 HydrophobicContact CG-CD2 4.39Å; W348-F400 HydrophobicContact CH2-CE2 4.31Å; W348-F400 HydrophobicContact CZ3-CD2 4.2Å; W348-F400 AromaticContact CZ3-CE2 3.68Å; W348-F400 HydrophobicContact CZ3-CE2 3.68Å; W348-Y401 PolarHBondContact O-N 2.67Å
349	C	98.6	Very high	95.1	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.8	165	-179.8	0	0	0	0	110.2	Y347 A351 Y361 I362 Y401	Y347-C349 HydrophobicContact CE1-CB 3.63Å; Y347-C349 WeakPolarHBondContact OH-CB 3.24Å; C349-A351 VanDerWaalsContact C-N 3.28Å; C349-A351 PolarHBondContact O-N 2.9Å; C349-A351 VanDerWaalsContact SG-CB 3.55Å; C349-Y361 WeakPolarHBondContact CB-O 3.45Å; C349-I362 HydrophobicContact CB-CD1 4.37Å; C349-I362 HydrophobicContact CB-CG1 3.68Å; C349-Y401 WeakPolarHBondContact CA-O 3.41Å; C349-Y401 HydrophobicContact CB-CD1 4Å; C349-Y401 VanDerWaalsContact SG-CD1 3.51Å
350	T	95.9	Very high	95.1	Very high	33 Å²	33	23.8 Å²	23.8	20%	0.202	13%	0.131	C	C	.	.			trans	-89.7	9.2	-177.4	77.5	0	0	0	0	113.1	W348 M388 F400 Y401 T402	W348-T350 HydrophobicContact CD2-CG2 4.32Å; W348-T350 HydrophobicContact CZ2-CG2 4.17Å; T350-M388 HydrophobicContact CG2-CE 3.69Å; T350-F400 HydrophobicContact CG2-CD2 4.38Å; T350-F400 HydrophobicContact CG2-CE2 3.46Å; T350-F400 VanDerWaalsContact CG2-CE2 3.46Å; T350-F400 HydrophobicContact CG2-CZ 3.79Å; T350-Y401 PolarHBondContact N-O 3.36Å; T350-T402 WeakPolarHBondContact OG1-CB 3.36Å; T350-T402 PolarHBondContact OG1-OG1 3.18Å
351	A	88.8	Confident	95.2	Very high	26 Å²	26	23.6 Å²	23.6	22%	0.215	13%	0.13	C	C	.	.	S	Bend	trans	-72.5	171.2	178.6	0	0	0	0	0	111.2	M152 C349 T357 I362	M152-A351 WeakPolarHBondContact CE-O 3.21Å; C349-A351 VanDerWaalsContact C-N 3.28Å; C349-A351 PolarHBondContact O-N 2.9Å; C349-A351 VanDerWaalsContact SG-CB 3.55Å; A351-T357 HydrophobicContact CB-CG2 3.6Å; A351-I362 HydrophobicContact CB-CD1 4.33Å; A351-I362 WeakPolarHBondContact O-CD1 3.45Å
352	D	90	Very high	95.2	Very high	29 Å²	29	23.2 Å²	23.2	16%	0.155	13%	0.129	C	C	.	.			trans	-102.5	141.9	170.9	-175.1	-66.3	0	0	0	109.5	M152 F174 G354 W355	M152-D352 HydrophobicContact CG-CB 4.34Å; M152-D352 WeakPolarHBondContact CG-OD2 3.12Å; M152-D352 HydrophobicContact SD-CB 4.22Å; F174-D352 HydrophobicContact CD2-CB 4.16Å; F174-D352 WeakPolarHBondContact CD2-OD1 3.36Å; F174-D352 HydrophobicContact CE2-CB 3.98Å; F174-D352 VanDerWaalsContact CE2-OD2 3.31Å; F174-D352 WeakPolarHBondContact CE2-OD2 3.49Å; D352-G354 PolarHBondContact O-N 3.3Å; D352-G354 WeakPolarHBondContact OD1-CA 3.27Å; D352-G354 PolarHBondContact OD1-N 3.13Å; D352-W355 PolarHBondContact O-N 2.9Å
353	I	94.4	Very high	95.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.1	-180	-67.3	167.1	0	0	0	111.9	M152 L156 V157 M160 I172 W355 H359 I362 L375	M152-I353 HydrophobicContact CE-CD1 4.24Å; M152-I353 HydrophobicContact CE-CG1 4.04Å; M152-I353 HydrophobicContact SD-CB 4.01Å; M152-I353 HydrophobicContact SD-CD1 4.13Å; M152-I353 HydrophobicContact SD-CG1 3.86Å; M152-I353 PolarHBondContact SD-N 3.24Å; L156-I353 HydrophobicContact CD1-CG2 4.29Å; L156-I353 HydrophobicContact CD2-CB 3.79Å; L156-I353 HydrophobicContact CD2-CD1 4.09Å; L156-I353 HydrophobicContact CD2-CG1 4.48Å; L156-I353 HydrophobicContact CD2-CG2 4.13Å; L156-I353 HydrophobicContact CG-CB 4.25Å; L156-I353 HydrophobicContact CG-CD1 4.09Å; L156-I353 HydrophobicContact CG-CG2 4.11Å; V157-I353 HydrophobicContact CG2-CD1 3.68Å; M160-I353 HydrophobicContact SD-CG2 3.84Å; I172-I353 HydrophobicContact CD1-CG2 3.62Å; I353-W355 PolarHBondContact O-N 3.08Å; I353-H359 PolarHBondContact O-CE1 2.84Å; I353-H359 PolarHBondContact O-ND1 3.46Å; I353-I362 HydrophobicContact CD1-CG2 4.07Å; I353-I362 HydrophobicContact CG1-CB 4.29Å; I353-I362 HydrophobicContact CG1-CD1 4.26Å; I353-I362 HydrophobicContact CG1-CG2 4.16Å; I353-L375 HydrophobicContact CD1-CD1 4.13Å
354	G	84.4	Confident	95.5	Very high	6 Å²	6	17.4 Å²	17.4	6%	0.062	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-4.4	167.8	0	0	0	0	0	115	D352	D352-G354 PolarHBondContact O-N 3.3Å; D352-G354 WeakPolarHBondContact OD1-CA 3.27Å; D352-G354 PolarHBondContact OD1-N 3.13Å
355	W	84.5	Confident	95.8	Very high	101 Å²	101	11.8 Å²	11.8	38%	0.383	6%	0.063	S	C	.	.	S	Bend	trans	-117.6	163.1	171.4	-55.6	97.1	0	0	0	111.5	F174 F177 D352 I353 T357 G358 H359	F174-W355 HydrophobicContact CD1-CZ2 4.38Å; F174-W355 AromaticContact CD2-NE1 3.82Å; F174-W355 HydrophobicContact CG-CZ2 4.48Å; F177-W355 HydrophobicContact CZ-CH2 4.25Å; D352-W355 PolarHBondContact O-N 2.9Å; I353-W355 PolarHBondContact O-N 3.08Å; W355-T357 PolarHBondContact O-N 3.15Å; W355-G358 PolarHBondContact O-N 3.33Å; W355-G358 VanDerWaalsContact O-N 3.09Å; W355-H359 PolarHBondContact O-N 2.78Å; W355-H359 PolarHBondContact O-ND1 2.92Å
356	I	95.8	Very high	95.8	Very high	10 Å²	10	11.8 Å²	11.8	5%	0.051	6%	0.063	C	C	.	.	H	α-helix	trans	-60.2	-33.9	-178.3	-168.7	68.4	0	0	0	112.1	F306 L308 Y327 G358 H359 S360 W460 T462	F306-I356 HydrophobicContact CE2-CD1 4Å; F306-I356 HydrophobicContact CZ-CD1 3.74Å; L308-I356 HydrophobicContact CD2-CB 3.77Å; L308-I356 HydrophobicContact CD2-CD1 4.07Å; Y327-I356 HydrophobicContact CE2-CD1 4.33Å; I356-G358 VanDerWaalsContact C-N 3.3Å; I356-G358 PolarHBondContact O-N 3.45Å; I356-H359 HydrophobicContact CD1-CB 4.31Å; I356-H359 WeakPolarHBondContact O-CB 3.35Å; I356-H359 PolarHBondContact O-N 2.71Å; I356-H359 VanDerWaalsContact O-N 3.09Å; I356-S360 PolarHBondContact O-N 2.78Å; I356-S360 PolarHBondContact O-OG 2.77Å; I356-W460 HydrophobicContact CB-CH2 4.31Å; I356-W460 HydrophobicContact CB-CZ3 4.35Å; I356-W460 HydrophobicContact CG1-CH2 3.93Å; I356-W460 HydrophobicContact CG1-CZ3 3.6Å; I356-W460 HydrophobicContact CG2-CH2 3.8Å; I356-W460 HydrophobicContact CG2-CZ2 4.33Å; I356-W460 HydrophobicContact CG2-CZ3 3.94Å; I356-T462 HydrophobicContact CB-CG2 4.24Å; I356-T462 HydrophobicContact CD1-CG2 4.43Å
357	T	95.9	Very high	95.8	Very high	15 Å²	15	10.9 Å²	10.9	9%	0.092	6%	0.058	C	C	.	.	H	α-helix	trans	-58.3	-41.7	176.8	-49.8	0	0	0	0	111.9	A351 W355 Y361 Y401 V432 W460	A351-T357 HydrophobicContact CB-CG2 3.6Å; W355-T357 PolarHBondContact O-N 3.15Å; T357-Y361 HydrophobicContact CG2-CD2 4.4Å; T357-Y361 CarbonylContact O-C 3.31Å; T357-Y361 VanDerWaalsContact O-CA 3.29Å; T357-Y361 WeakPolarHBondContact O-CA 3.25Å; T357-Y361 VanDerWaalsContact O-CB 3.3Å; T357-Y361 WeakPolarHBondContact O-CB 3.45Å; T357-Y361 PolarHBondContact O-N 3.43Å; T357-Y401 HydrophobicContact CG2-CD1 4.31Å; T357-Y401 HydrophobicContact CG2-CE1 3.66Å; T357-V432 HydrophobicContact CG2-CG1 4.13Å; T357-V432 HydrophobicContact CG2-CG2 4.39Å; T357-W460 HydrophobicContact CG2-CZ2 4.15Å; T357-W460 WeakPolarHBondContact OG1-CZ2 3.31Å
358	G	96.3	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-73.8	-30.8	176.3	0	0	0	0	0	112.9	W355 I356 I362 T363	W355-G358 PolarHBondContact O-N 3.33Å; W355-G358 VanDerWaalsContact O-N 3.09Å; I356-G358 VanDerWaalsContact C-N 3.3Å; I356-G358 PolarHBondContact O-N 3.45Å; G358-I362 VanDerWaalsContact O-CB 3.31Å; G358-I362 WeakPolarHBondContact O-CB 3.16Å; G358-I362 PolarHBondContact O-N 3.47Å; G358-I362 VanDerWaalsContact O-N 3.11Å; G358-T363 PolarHBondContact O-N 3.11Å; G358-T363 VanDerWaalsContact O-N 3.09Å
359	H	98.6	Very high	95.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-61	-59.5	171.3	-72	55.5	0	0	0	111.3	M160 H170 F306 Y327 I353 W355 I356 Y364	M160-H359 HydrophobicContact CE-CB 4.21Å; H170-H359 AromaticContact CE1-CD2 3.71Å; H170-H359 AromaticContact CE1-NE2 3.62Å; H170-H359 AromaticContact ND1-NE2 3.97Å; F306-H359 AromaticContact CD2-CD2 3.86Å; F306-H359 AromaticContact CE2-CD2 3.87Å; Y327-H359 WeakPolarHBondContact OH-CB 3.16Å; I353-H359 PolarHBondContact O-CE1 2.84Å; I353-H359 PolarHBondContact O-ND1 3.46Å; W355-H359 PolarHBondContact O-N 2.78Å; W355-H359 PolarHBondContact O-ND1 2.92Å; I356-H359 HydrophobicContact CD1-CB 4.31Å; I356-H359 WeakPolarHBondContact O-CB 3.35Å; I356-H359 PolarHBondContact O-N 2.71Å; I356-H359 VanDerWaalsContact O-N 3.09Å; H359-Y364 HydrophobicContact CB-CD2 4.41Å; H359-Y364 WeakPolarHBondContact O-CB 3.34Å; H359-Y364 VanDerWaalsContact O-CD2 3.29Å; H359-Y364 WeakPolarHBondContact O-CD2 3.49Å; H359-Y364 PolarHBondContact O-N 2.74Å
360	S	98.9	Very high	95.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-75	-36	-172.4	-52.8	0	0	0	0	112.3	Y327 I356 G365 P366 G465	Y327-S360 WeakPolarHBondContact OH-CA 3.47Å; Y327-S360 PolarHBondContact OH-N 2.9Å; Y327-S360 PolarHBondContact OH-OG 3.42Å; I356-S360 PolarHBondContact O-N 2.78Å; I356-S360 PolarHBondContact O-OG 2.77Å; S360-G365 VanDerWaalsContact O-CA 3.31Å; S360-G365 WeakPolarHBondContact O-CA 3.39Å; S360-G365 PolarHBondContact O-N 3.09Å; S360-P366 WeakPolarHBondContact O-CD 3.49Å; S360-G465 PolarHBondContact OG-O 3.05Å
361	Y	98.8	Very high	95.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-127.3	11.1	-165.1	-55.2	-60.3	0	0	0	115.4	T334 F335 F339 Y347 C349 T357 Y401 W460 G466 H467	T334-Y361 WeakPolarHBondContact CB-OH 3.39Å; T334-Y361 WeakPolarHBondContact OG1-CE1 3.43Å; T334-Y361 PolarHBondContact OG1-OH 3.48Å; F335-Y361 HydrophobicContact CB-CD1 4.14Å; F335-Y361 HydrophobicContact CB-CE1 4.19Å; F335-Y361 HydrophobicContact CD2-CD1 4.41Å; F339-Y361 HydrophobicContact CE2-CD1 4.33Å; Y347-Y361 WeakPolarHBondContact CE1-O 3.38Å; Y347-Y361 WeakPolarHBondContact OH-CB 3.25Å; Y347-Y361 PolarHBondContact OH-O 3.32Å; C349-Y361 WeakPolarHBondContact CB-O 3.45Å; T357-Y361 HydrophobicContact CG2-CD2 4.4Å; T357-Y361 CarbonylContact O-C 3.31Å; T357-Y361 VanDerWaalsContact O-CA 3.29Å; T357-Y361 WeakPolarHBondContact O-CA 3.25Å; T357-Y361 VanDerWaalsContact O-CB 3.3Å; T357-Y361 WeakPolarHBondContact O-CB 3.45Å; T357-Y361 PolarHBondContact O-N 3.43Å; Y361-Y401 HydrophobicContact CD2-CE1 4.08Å; Y361-Y401 HydrophobicContact CG-CE1 4.29Å; Y361-W460 AromaticContact CD2-CH2 3.47Å; Y361-W460 HydrophobicContact CD2-CH2 3.47Å; Y361-W460 VanDerWaalsContact CD2-CH2 3.47Å; Y361-W460 AromaticContact CD2-CZ2 3.38Å; Y361-W460 HydrophobicContact CD2-CZ2 3.38Å; Y361-W460 HydrophobicContact CD2-CZ3 4.39Å; Y361-W460 HydrophobicContact CE2-CD2 4.19Å; Y361-W460 AromaticContact CE2-CE2 3.66Å; Y361-W460 HydrophobicContact CE2-CE3 4.21Å; Y361-W460 AromaticContact CE2-CH2 3.22Å; Y361-W460 HydrophobicContact CE2-CH2 3.22Å; Y361-W460 AromaticContact CE2-CZ2 3.21Å; Y361-W460 HydrophobicContact CE2-CZ2 3.21Å; Y361-W460 AromaticContact CE2-CZ3 3.74Å; Y361-W460 HydrophobicContact CE2-CZ3 3.74Å; Y361-G466 WeakPolarHBondContact OH-CA 3.34Å; Y361-H467 AromaticContact CD2-NE2 3.72Å; Y361-H467 AromaticContact CE1-CE1 3.65Å; Y361-H467 AromaticContact CE1-NE2 3.99Å; Y361-H467 AromaticContact CE2-CD2 3.5Å; Y361-H467 AromaticContact CE2-CE1 3.6Å; Y361-H467 AromaticContact CE2-NE2 3.05Å; Y361-H467 WeakPolarHBondContact CE2-NE2 3.48Å; Y361-H467 AromaticContact CZ-CD2 3.57Å; Y361-H467 AromaticContact CZ-CE1 3.28Å; Y361-H467 AromaticContact CZ-CG 3.82Å; Y361-H467 AromaticContact CZ-ND1 3.63Å; Y361-H467 AromaticContact CZ-NE2 3.22Å; Y361-H467 PolarHBondContact OH-CD2 2.91Å; Y361-H467 PolarHBondContact OH-CE1 2.57Å; Y361-H467 PolarHBondContact OH-N 2.79Å; Y361-H467 PolarHBondContact OH-ND1 3.32Å; Y361-H467 PolarHBondContact OH-NE2 2.92Å
362	I	98.7	Very high	96.4	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.047	C	C	.	.	I	π-helix	trans	-111.5	-44.8	157.4	-66.7	170.9	0	0	0	109.1	F106 M152 C349 A351 I353 G358 L375	F106-I362 HydrophobicContact CE1-CG2 4.18Å; M152-I362 HydrophobicContact CE-CD1 3.78Å; C349-I362 HydrophobicContact CB-CD1 4.37Å; C349-I362 HydrophobicContact CB-CG1 3.68Å; A351-I362 HydrophobicContact CB-CD1 4.33Å; A351-I362 WeakPolarHBondContact O-CD1 3.45Å; I353-I362 HydrophobicContact CD1-CG2 4.07Å; I353-I362 HydrophobicContact CG1-CB 4.29Å; I353-I362 HydrophobicContact CG1-CD1 4.26Å; I353-I362 HydrophobicContact CG1-CG2 4.16Å; G358-I362 VanDerWaalsContact O-CB 3.31Å; G358-I362 WeakPolarHBondContact O-CB 3.16Å; G358-I362 PolarHBondContact O-N 3.47Å; G358-I362 VanDerWaalsContact O-N 3.11Å; I362-L375 HydrophobicContact CG2-CD1 3.79Å
363	T	98.8	Very high	96.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-97.4	-73.7	-174.4	-52.2	0	0	0	0	112.5	V157 M160 L161 G358 L367	V157-T363 HydrophobicContact CG1-CG2 4.04Å; M160-T363 HydrophobicContact CE-CG2 3.84Å; M160-T363 HydrophobicContact SD-CG2 3.86Å; L161-T363 HydrophobicContact CD1-CG2 4.43Å; L161-T363 HydrophobicContact CD2-CG2 3.82Å; L161-T363 HydrophobicContact CG-CG2 4.12Å; G358-T363 PolarHBondContact O-N 3.11Å; G358-T363 VanDerWaalsContact O-N 3.09Å; T363-L367 HydrophobicContact CG2-CD1 3.97Å; T363-L367 WeakPolarHBondContact O-CB 3.27Å; T363-L367 WeakPolarHBondContact O-CD1 3.17Å; T363-L367 WeakPolarHBondContact O-CG 3.47Å; T363-L367 PolarHBondContact O-N 3.29Å
364	Y	98.9	Very high	97	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.008	4%	0.041	C	C	.	.	I	π-helix	trans	-68	-57.2	-161.7	-74	-65.5	0	0	0	114.6	I86 L90 M160 L161 H170 L305 F306 Y327 H359 A368	I86-Y364 HydrophobicContact CD1-CD1 3.48Å; I86-Y364 VanDerWaalsContact CD1-CD1 3.48Å; I86-Y364 HydrophobicContact CD1-CE1 3.63Å; I86-Y364 HydrophobicContact CD1-CG 4.28Å; I86-Y364 HydrophobicContact CG1-CD1 3.93Å; I86-Y364 HydrophobicContact CG1-CE1 4.02Å; I86-Y364 HydrophobicContact CG2-CE1 3.95Å; L90-Y364 HydrophobicContact CD2-CD1 3.64Å; L90-Y364 HydrophobicContact CD2-CE1 4.24Å; M160-Y364 HydrophobicContact CE-CD2 3.41Å; M160-Y364 VanDerWaalsContact CE-CD2 3.41Å; M160-Y364 HydrophobicContact CE-CE1 4.37Å; M160-Y364 HydrophobicContact CE-CE2 2.94Å; M160-Y364 HydrophobicContact CE-CG 4.33Å; M160-Y364 VanDerWaalsContact CE-CZ 3.46Å; L161-Y364 HydrophobicContact CD2-CE1 4.2Å; H170-Y364 AromaticContact NE2-CZ 3.94Å; H170-Y364 PolarHBondContact NE2-OH 3.31Å; L305-Y364 HydrophobicContact CD2-CE1 4.4Å; L305-Y364 HydrophobicContact CD2-CE2 4.21Å; F306-Y364 HydrophobicContact CD1-CE2 4.32Å; F306-Y364 HydrophobicContact CE1-CE2 4.41Å; Y327-Y364 HydrophobicContact CD1-CD2 4.36Å; Y327-Y364 AromaticContact CE1-CD2 3.36Å; Y327-Y364 HydrophobicContact CE1-CD2 3.36Å; Y327-Y364 AromaticContact CE1-CE2 3.93Å; Y327-Y364 HydrophobicContact CE1-CE2 3.93Å; Y327-Y364 AromaticContact CE1-CG 3.78Å; Y327-Y364 HydrophobicContact CE1-CG 3.78Å; H359-Y364 HydrophobicContact CB-CD2 4.41Å; H359-Y364 WeakPolarHBondContact O-CB 3.34Å; H359-Y364 VanDerWaalsContact O-CD2 3.29Å; H359-Y364 WeakPolarHBondContact O-CD2 3.49Å; H359-Y364 PolarHBondContact O-N 2.74Å; Y364-A368 WeakPolarHBondContact O-CB 3.47Å; Y364-A368 PolarHBondContact O-N 3.31Å
365	G	98.8	Very high	97.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.8	-50	-177.4	0	0	0	0	0	114	A331 S360 A368 N369	A331-G365 WeakPolarHBondContact O-CA 3.46Å; S360-G365 VanDerWaalsContact O-CA 3.31Å; S360-G365 WeakPolarHBondContact O-CA 3.39Å; S360-G365 PolarHBondContact O-N 3.09Å; G365-A368 PolarHBondContact O-N 3.05Å; G365-N369 PolarHBondContact O-N 3.39Å; G365-N369 PolarHBondContact O-ND2 2.82Å
366	P	98.9	Very high	98.3	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-61.2	-47.7	177.8	-22.8	31.4	0	0	0	113	F335 Y347 S360 A368 N369 G370 A371	F335-P366 HydrophobicContact CD2-CB 4.36Å; F335-P366 HydrophobicContact CD2-CG 3.75Å; F335-P366 HydrophobicContact CE1-CB 4.33Å; F335-P366 HydrophobicContact CE2-CB 3.89Å; F335-P366 HydrophobicContact CE2-CG 3.59Å; F335-P366 HydrophobicContact CG-CG 4.38Å; F335-P366 HydrophobicContact CZ-CB 3.86Å; F335-P366 HydrophobicContact CZ-CG 4.1Å; Y347-P366 HydrophobicContact CD1-CG 4.29Å; Y347-P366 HydrophobicContact CE1-CG 4.08Å; S360-P366 WeakPolarHBondContact O-CD 3.49Å; P366-A368 PolarHBondContact O-N 3.28Å; P366-N369 CarbonylContact O-C 3.59Å; P366-N369 PolarHBondContact O-N 2.8Å; P366-N369 VanDerWaalsContact O-N 3.11Å; P366-G370 PolarHBondContact O-N 3.48Å; P366-G370 VanDerWaalsContact O-N 3.11Å; P366-A371 HydrophobicContact CB-CB 3.89Å; P366-A371 VanDerWaalsContact O-CB 3.29Å; P366-A371 WeakPolarHBondContact O-CB 3.36Å; P366-A371 PolarHBondContact O-N 2.9Å
367	L	98.9	Very high	98.3	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-65.7	-38.7	179.3	-66.8	174.8	0	0	0	111.4	L90 N94 A105 F106 Y121 L124 V157 L161 T363 N369 G370	L90-L367 HydrophobicContact CB-CB 4.08Å; L90-L367 HydrophobicContact CD2-CB 3.93Å; L90-L367 HydrophobicContact CD2-CD1 4.25Å; L90-L367 HydrophobicContact CG-CB 3.74Å; N94-L367 PolarHBondContact ND2-O 2.82Å; A105-L367 HydrophobicContact CB-CD2 4.21Å; F106-L367 HydrophobicContact CE2-CD1 4.24Å; F106-L367 HydrophobicContact CE2-CD2 3.92Å; F106-L367 HydrophobicContact CE2-CG 4.43Å; F106-L367 HydrophobicContact CZ-CD1 4.32Å; F106-L367 HydrophobicContact CZ-CD2 4.16Å; F106-L367 HydrophobicContact CZ-CG 4.33Å; Y121-L367 HydrophobicContact CE1-CD2 3.71Å; L124-L367 HydrophobicContact CD2-CD1 4.29Å; L124-L367 HydrophobicContact CD2-CD2 4.09Å; V157-L367 HydrophobicContact CG1-CD1 4.43Å; L161-L367 HydrophobicContact CD1-CD1 3.71Å; T363-L367 HydrophobicContact CG2-CD1 3.97Å; T363-L367 WeakPolarHBondContact O-CB 3.27Å; T363-L367 WeakPolarHBondContact O-CD1 3.17Å; T363-L367 WeakPolarHBondContact O-CG 3.47Å; T363-L367 PolarHBondContact O-N 3.29Å; L367-N369 PolarHBondContact O-N 2.84Å; L367-N369 VanDerWaalsContact O-N 3.15Å; L367-G370 PolarHBondContact O-N 3.47Å
368	A	98.7	Very high	98	Very high	3 Å²	3	4.3 Å²	4.3	3%	0.025	3%	0.025	C	C	.	.	H	α-helix	trans	-57.4	-31.1	174.5	0	0	0	0	0	112.5	F52 L90 L328 A332 Y364 G365 P366	F52-A368 HydrophobicContact CE1-CB 4.15Å; L90-A368 HydrophobicContact CD1-CB 3.86Å; L90-A368 HydrophobicContact CG-CB 4.46Å; L328-A368 HydrophobicContact CD1-CB 3.96Å; A332-A368 HydrophobicContact CB-CB 3.59Å; Y364-A368 WeakPolarHBondContact O-CB 3.47Å; Y364-A368 PolarHBondContact O-N 3.31Å; G365-A368 PolarHBondContact O-N 3.05Å; P366-A368 PolarHBondContact O-N 3.28Å
369	N	98.7	Very high	97.5	Very high	23 Å²	23	6.2 Å²	6.2	12%	0.123	4%	0.035	C	C	.	.	H	α-helix	trans	-90.7	-4.5	177.4	-75.5	-83.8	0	0	0	113.8	R98 A332 F335 K336 G365 P366 L367 A371	R98-N369 PolarHBondContact NH1-O 3.38Å; R98-N369 PolarHBondContact NH2-O 3Å; A332-N369 PolarHBondContact O-ND2 3.4Å; F335-N369 HydrophobicContact CD1-CB 3.92Å; F335-N369 WeakPolarHBondContact CD1-ND2 3.48Å; F335-N369 HydrophobicContact CE1-CB 3.86Å; K336-N369 WeakPolarHBondContact CB-OD1 3.43Å; G365-N369 PolarHBondContact O-N 3.39Å; G365-N369 PolarHBondContact O-ND2 2.82Å; P366-N369 CarbonylContact O-C 3.59Å; P366-N369 PolarHBondContact O-N 2.8Å; P366-N369 VanDerWaalsContact O-N 3.11Å; L367-N369 PolarHBondContact O-N 2.84Å; L367-N369 VanDerWaalsContact O-N 3.15Å; N369-A371 VanDerWaalsContact C-N 3.33Å
370	G	98.4	Very high	97	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	27.3	-177.4	0	0	0	0	0	112.5	K103 Y121 P366 L367	K103-G370 WeakPolarHBondContact CE-O 3.41Å; K103-G370 PolarHBondContact NZ-O 2.64Å; Y121-G370 WeakPolarHBondContact OH-CA 3.49Å; P366-G370 PolarHBondContact O-N 3.48Å; P366-G370 VanDerWaalsContact O-N 3.11Å; L367-G370 PolarHBondContact O-N 3.47Å
371	A	98.6	Very high	96.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.055	C	C	.	.			trans	-69.7	155.1	-178.5	0	0	0	0	0	112.1	Y121 F335 H341 P366 N369	Y121-A371 PolarHBondContact OH-N 3.4Å; Y121-A371 VanDerWaalsContact OH-N 3.14Å; Y121-A371 PolarHBondContact OH-O 2.89Å; F335-A371 HydrophobicContact CE1-CB 3.99Å; F335-A371 HydrophobicContact CZ-CB 3.79Å; H341-A371 VanDerWaalsContact CE1-CB 3.48Å; H341-A371 WeakPolarHBondContact CE1-CB 3.29Å; H341-A371 WeakPolarHBondContact NE2-CA 3.41Å; H341-A371 WeakPolarHBondContact NE2-CB 3.45Å; P366-A371 HydrophobicContact CB-CB 3.89Å; P366-A371 VanDerWaalsContact O-CB 3.29Å; P366-A371 WeakPolarHBondContact O-CB 3.36Å; P366-A371 PolarHBondContact O-N 2.9Å; N369-A371 VanDerWaalsContact C-N 3.33Å
372	T	98.9	Very high	96	Very high	13 Å²	13	10.9 Å²	10.9	8%	0.08	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.7	163.8	-63.4	0	0	0	0	108.1	K103 I104 F107 V346 Y347	K103-T372 VanDerWaalsContact CE-OG1 3.29Å; K103-T372 WeakPolarHBondContact CE-OG1 3.25Å; I104-T372 HydrophobicContact CB-CG2 3.95Å; I104-T372 HydrophobicContact CG2-CG2 3.85Å; I104-T372 WeakPolarHBondContact O-CA 3.48Å; I104-T372 WeakPolarHBondContact O-CB 3.29Å; I104-T372 PolarHBondContact O-OG1 2.88Å; F107-T372 HydrophobicContact CD2-CG2 3.87Å; F107-T372 HydrophobicContact CE2-CG2 3.56Å; F107-T372 HydrophobicContact CZ-CG2 4.46Å; V346-T372 HydrophobicContact CG2-CG2 4.32Å; Y347-T372 PolarHBondContact N-O 3.19Å
373	S	98.8	Very high	95.9	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.014	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.2	-174.5	-68.8	0	0	0	0	112.6	A105 F106 F107 Y347	A105-S373 PolarHBondContact O-N 3.34Å; F106-S373 CarbonylContact C-O 3.58Å; F106-S373 VanDerWaalsContact CA-O 3.24Å; F106-S373 WeakPolarHBondContact CA-O 3.33Å; F107-S373 PolarHBondContact N-O 2.87Å; Y347-S373 CarbonylContact O-C 3.56Å; Y347-S373 WeakPolarHBondContact O-CA 3.48Å
374	V	98.9	Very high	95.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.7	164.9	-179.5	0	0	0	0	109.3	F107 V346 Y347 W348 I391 Y395 V397	F107-V374 HydrophobicContact CB-CG2 4.36Å; F107-V374 HydrophobicContact CD2-CG2 4.49Å; F107-V374 CarbonylContact O-C 3.47Å; F107-V374 VanDerWaalsContact O-CA 3.31Å; F107-V374 WeakPolarHBondContact O-CA 3.36Å; V346-V374 HydrophobicContact CG1-CG2 4.1Å; Y347-V374 PolarHBondContact O-N 3.23Å; W348-V374 HydrophobicContact CB-CB 3.92Å; W348-V374 HydrophobicContact CB-CG2 4.22Å; W348-V374 VanDerWaalsContact CD1-O 3.26Å; W348-V374 HydrophobicContact CD2-CB 4.18Å; W348-V374 HydrophobicContact CD2-CG1 4.13Å; W348-V374 HydrophobicContact CG-CB 3.65Å; W348-V374 HydrophobicContact CG-CG1 4.07Å; W348-V374 HydrophobicContact CG-CG2 4.34Å; V374-I391 HydrophobicContact CG1-CG2 3.89Å; V374-Y395 HydrophobicContact CG1-CD2 4.3Å; V374-Y395 HydrophobicContact CG1-CE2 4.46Å; V374-Y395 HydrophobicContact CG2-CD2 3.93Å; V374-Y395 HydrophobicContact CG2-CG 4.22Å; V374-V397 HydrophobicContact CG2-CG2 3.98Å
375	L	98.5	Very high	95.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118	172.8	-175.5	67.9	0	0	0	108.5	F106 F107 W108 E109 M152 V154 V157 I353 I362	F106-L375 HydrophobicContact CD1-CB 3.94Å; F107-L375 PolarHBondContact O-N 2.86Å; W108-L375 CarbonylContact C-O 3.58Å; W108-L375 WeakPolarHBondContact CA-O 3.46Å; E109-L375 PolarHBondContact N-O 2.86Å; M152-L375 HydrophobicContact CE-CD1 3.37Å; M152-L375 HydrophobicContact CE-CG 4.47Å; V154-L375 HydrophobicContact CG2-CD2 4.26Å; V157-L375 HydrophobicContact CG2-CD2 4.14Å; I353-L375 HydrophobicContact CD1-CD1 4.13Å; I362-L375 HydrophobicContact CG2-CD1 3.79Å
376	F	97.1	Very high	95.2	Very high	17 Å²	17	18.3 Å²	18.3	8%	0.075	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.3	-170.7	178.6	-126.7	0	0	0	111.8	E109 M152 W348 G378 L379 R387 I391	E109-F376 HydrophobicContact CB-CD2 4.07Å; E109-F376 HydrophobicContact CG-CD2 4.07Å; E109-F376 HydrophobicContact CG-CE2 4.31Å; E109-F376 WeakPolarHBondContact O-CA 3.48Å; E109-F376 WeakPolarHBondContact O-CD2 3.43Å; M152-F376 WeakPolarHBondContact CB-O 3.21Å; W348-F376 HydrophobicContact CZ2-CB 3.87Å; W348-F376 AromaticContact CZ2-CD1 3.86Å; W348-F376 HydrophobicContact CZ2-CD1 3.86Å; W348-F376 AromaticContact CZ2-CG 3.86Å; W348-F376 HydrophobicContact CZ2-CG 3.86Å; F376-G378 WeakPolarHBondContact CE1-O 3.3Å; F376-L379 WeakPolarHBondContact CZ-O 3.24Å; F376-R387 HydrophobicContact CZ-CG 4.09Å; F376-I391 HydrophobicContact CD2-CD1 3.73Å; F376-I391 HydrophobicContact CE2-CD1 3.56Å; F376-I391 HydrophobicContact CG-CD1 4.37Å; F376-I391 HydrophobicContact CZ-CD1 4.06Å
377	E	95.6	Very high	95.1	Very high	14 Å²	14	18.6 Å²	18.6	7%	0.065	11%	0.107	C	C	.	.			trans	-85.7	-30.9	178.8	-168.4	-175.7	-154.5	0	0	113.5	W108 E109 N111 M152 F200 H235	W108-E377 HydrophobicContact CZ2-CB 4.34Å; E109-E377 PolarHBondContact O-N 2.69Å; N111-E377 PolarHBondContact N-OE2 2.8Å; M152-E377 HydrophobicContact CB-CB 4.46Å; F200-E377 WeakPolarHBondContact CB-OE1 3.36Å; H235-E377 IonicContact CD2-OE1 2.78Å; H235-E377 PolarHBondContact CD2-OE1 3.31Å; H235-E377 IonicContact CE1-OE1 3.89Å; H235-E377 IonicContact CE1-OE2 3.62Å; H235-E377 IonicContact NE2-OE1 2.68Å; H235-E377 PolarHBondContact NE2-OE1 2.95Å; H235-E377 IonicContact NE2-OE2 3.69Å; H235-E377 PolarHBondContact NE2-OE2 2.91Å
378	G	90.4	Very high	95	Very high	12 Å²	12	18.7 Å²	18.7	12%	0.124	11%	0.107	C	C	.	.	S	Bend	trans	-79.9	-158.6	-167	0	0	0	0	0	115.7	F376	F376-G378 WeakPolarHBondContact CE1-O 3.3Å
379	L	86.8	Confident	94.9	Very high	40 Å²	40	18.6 Å²	18.6	21%	0.209	11%	0.106	C	C	.	.			trans	-112.9	152.5	177.4	-73.2	177.7	0	0	0	111.9	R202 F376 T381 Y382	R202-L379 HydrophobicContact CG-CD1 3.96Å; R202-L379 HydrophobicContact CG-CD2 3.72Å; R202-L379 HydrophobicContact CG-CG 3.73Å; R202-L379 VanDerWaalsContact NE-CD2 3.31Å; F376-L379 WeakPolarHBondContact CZ-O 3.24Å; L379-T381 PolarHBondContact O-N 2.86Å; L379-Y382 PolarHBondContact O-N 2.7Å
380	P	86.3	Confident	94.9	Very high	23 Å²	23	20.4 Å²	20.4	15%	0.149	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.1	177.1	-21.7	27.9	0	0	0	115	M388 L410	P380-M388 HydrophobicContact CB-CE 3.54Å; P380-M388 HydrophobicContact CB-CG 4.17Å; P380-M388 HydrophobicContact CB-SD 3.74Å; P380-M388 HydrophobicContact CG-CE 3.5Å; P380-M388 VanDerWaalsContact CG-CE 3.5Å; P380-M388 HydrophobicContact CG-SD 4.32Å; P380-L410 HydrophobicContact CB-CD2 4.42Å
381	T	87.3	Confident	94.9	Very high	42 Å²	42	20.4 Å²	20.4	26%	0.258	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	9.7	-170.3	54.8	0	0	0	0	113.7	L379 P383 D384 V385 L409 L410	L379-T381 PolarHBondContact O-N 2.86Å; T381-P383 CarbonylContact O-C 3.43Å; T381-D384 CarbonylContact C-O 3.48Å; T381-D384 WeakPolarHBondContact CA-O 3.46Å; T381-D384 CarbonylContact O-C 3.52Å; T381-D384 VanDerWaalsContact O-C 3.28Å; T381-D384 WeakPolarHBondContact O-CA 3.31Å; T381-D384 PolarHBondContact O-N 2.73Å; T381-V385 HydrophobicContact CG2-CG2 4.33Å; T381-L409 HydrophobicContact CG2-CD2 3.83Å; T381-L409 HydrophobicContact CG2-CG 4.13Å; T381-L410 HydrophobicContact CG2-CD2 4.3Å
382	Y	91.2	Very high	94.9	Very high	34 Å²	34	20.4 Å²	20.4	13%	0.133	11%	0.114	C	C	.	.	S	Bend	trans	-115.7	128.5	-178.1	-172.8	-92.4	0	0	0	111.7	N111 E112 D204 R268 L379 D384 R387	N111-Y382 WeakPolarHBondContact O-CD1 3.16Å; E112-Y382 WeakPolarHBondContact OE1-CE1 3.45Å; E112-Y382 PolarHBondContact OE1-OH 2.97Å; D204-Y382 WeakPolarHBondContact OD1-CE2 3.44Å; D204-Y382 PolarHBondContact OD1-OH 3.3Å; R268-Y382 PolarHBondContact NH2-OH 3.48Å; L379-Y382 PolarHBondContact O-N 2.7Å; Y382-D384 VanDerWaalsContact C-N 3.31Å; Y382-R387 WeakPolarHBondContact O-CB 3.4Å; Y382-R387 WeakPolarHBondContact O-CD 3.31Å; Y382-R387 WeakPolarHBondContact O-CG 3.3Å
383	P	94.9	Very high	94.9	Very high	65 Å²	65	21.6 Å²	21.6	42%	0.422	12%	0.12	S	C	.	.	S	Bend	cis	-78.4	-11.3	2	34.2	-38	0	0	0	113.7	P113 T381	P113-P383 HydrophobicContact CG-CG 3.78Å; T381-P383 CarbonylContact O-C 3.43Å
384	D	94.3	Very high	94.9	Very high	69 Å²	69	25.9 Å²	25.9	37%	0.369	14%	0.138	S	C	.	.			trans	-146.6	167.8	177.7	71.1	86.4	0	0	0	111.4	T381 Y382 G386 R387 Q390	T381-D384 CarbonylContact C-O 3.48Å; T381-D384 WeakPolarHBondContact CA-O 3.46Å; T381-D384 CarbonylContact O-C 3.52Å; T381-D384 VanDerWaalsContact O-C 3.28Å; T381-D384 WeakPolarHBondContact O-CA 3.31Å; T381-D384 PolarHBondContact O-N 2.73Å; Y382-D384 VanDerWaalsContact C-N 3.31Å; D384-G386 PolarHBondContact O-N 2.86Å; D384-G386 VanDerWaalsContact O-N 3.14Å; D384-G386 VanDerWaalsContact OD1-CA 3.22Å; D384-G386 WeakPolarHBondContact OD1-CA 3.43Å; D384-G386 PolarHBondContact OD1-N 3.23Å; D384-R387 WeakPolarHBondContact O-CB 3.47Å; D384-R387 PolarHBondContact O-N 3.26Å; D384-R387 VanDerWaalsContact O-N 3.08Å; D384-Q390 PolarHBondContact OD2-NE2 3.11Å
385	V	92.5	Very high	94.9	Very high	25 Å²	25	26.8 Å²	26.8	15%	0.152	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.3	-175.7	-172.4	0	0	0	0	112.9	T381 R387 L410 Y413 P417	T381-V385 HydrophobicContact CG2-CG2 4.33Å; V385-R387 VanDerWaalsContact C-N 3.32Å; V385-L410 HydrophobicContact CG1-CD2 3.74Å; V385-Y413 HydrophobicContact CB-CD2 4.45Å; V385-Y413 HydrophobicContact CB-CG 4.38Å; V385-Y413 HydrophobicContact CG1-CD2 3.61Å; V385-Y413 HydrophobicContact CG1-CE2 4.3Å; V385-Y413 HydrophobicContact CG1-CG 3.77Å; V385-Y413 HydrophobicContact CG2-CD1 3.9Å; V385-Y413 HydrophobicContact CG2-CD2 3.92Å; V385-Y413 HydrophobicContact CG2-CE1 3.95Å; V385-Y413 HydrophobicContact CG2-CE2 3.98Å; V385-Y413 HydrophobicContact CG2-CG 3.87Å; V385-P417 HydrophobicContact CB-CB 4.19Å; V385-P417 HydrophobicContact CB-CG 4.4Å; V385-P417 HydrophobicContact CG1-CB 4.09Å; V385-P417 HydrophobicContact CG1-CG 4.23Å
386	G	95.6	Very high	94.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.1	172.9	0	0	0	0	0	114.6	D384 M388 W389 Q390	D384-G386 PolarHBondContact O-N 2.86Å; D384-G386 VanDerWaalsContact O-N 3.14Å; D384-G386 VanDerWaalsContact OD1-CA 3.22Å; D384-G386 WeakPolarHBondContact OD1-CA 3.43Å; D384-G386 PolarHBondContact OD1-N 3.23Å; G386-M388 VanDerWaalsContact C-N 3.35Å; G386-M388 PolarHBondContact O-N 3.43Å; G386-W389 PolarHBondContact O-N 3.47Å; G386-Q390 WeakPolarHBondContact O-CG 3.14Å; G386-Q390 PolarHBondContact O-N 3.28Å
387	R	96.4	Very high	95	Very high	6 Å²	6	30.8 Å²	30.8	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-51.4	-47.4	-168.8	179.9	62.4	163.4	145.4	1.4	114	E109 G110 F376 Y382 D384 V385 W389 Q390 I391	E109-R387 IonicContact OE1-CZ 3.84Å; E109-R387 IonicContact OE1-NH1 3.86Å; E109-R387 PolarHBondContact OE1-NH1 2.84Å; E109-R387 IonicContact OE1-NH2 2.86Å; E109-R387 PolarHBondContact OE1-NH2 2.87Å; G110-R387 PolarHBondContact O-NH2 3.33Å; F376-R387 HydrophobicContact CZ-CG 4.09Å; Y382-R387 WeakPolarHBondContact O-CB 3.4Å; Y382-R387 WeakPolarHBondContact O-CD 3.31Å; Y382-R387 WeakPolarHBondContact O-CG 3.3Å; D384-R387 WeakPolarHBondContact O-CB 3.47Å; D384-R387 PolarHBondContact O-N 3.26Å; D384-R387 VanDerWaalsContact O-N 3.08Å; V385-R387 VanDerWaalsContact C-N 3.32Å; R387-W389 VanDerWaalsContact C-N 3.27Å; R387-W389 PolarHBondContact O-N 3.07Å; R387-Q390 WeakPolarHBondContact O-CB 3.09Å; R387-Q390 PolarHBondContact O-N 2.82Å; R387-I391 HydrophobicContact CG-CD1 4.09Å; R387-I391 WeakPolarHBondContact O-CG1 3.36Å; R387-I391 PolarHBondContact O-N 3.48Å; R387-I391 VanDerWaalsContact O-N 3.17Å
388	M	96.8	Very high	95.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-38.8	-179.3	-73.5	-173.4	155.9	0	0	111.9	W348 T350 P380 G386 I391 V392 F400 L410	W348-M388 HydrophobicContact CH2-CB 4.07Å; W348-M388 HydrophobicContact CH2-CG 3.93Å; W348-M388 HydrophobicContact CZ3-CB 4.26Å; W348-M388 WeakPolarHBondContact CZ3-O 3.09Å; T350-M388 HydrophobicContact CG2-CE 3.69Å; P380-M388 HydrophobicContact CB-CE 3.54Å; P380-M388 HydrophobicContact CB-CG 4.17Å; P380-M388 HydrophobicContact CB-SD 3.74Å; P380-M388 HydrophobicContact CG-CE 3.5Å; P380-M388 VanDerWaalsContact CG-CE 3.5Å; P380-M388 HydrophobicContact CG-SD 4.32Å; G386-M388 VanDerWaalsContact C-N 3.35Å; G386-M388 PolarHBondContact O-N 3.43Å; M388-I391 PolarHBondContact O-N 3.37Å; M388-V392 WeakPolarHBondContact O-CG2 3.41Å; M388-V392 PolarHBondContact O-N 3Å; M388-F400 HydrophobicContact SD-CZ 3.87Å; M388-L410 HydrophobicContact SD-CD1 3.85Å
389	W	98.1	Very high	95.5	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-75.6	-31.6	-177.2	-41.2	124.2	0	0	0	112	G386 R387 I391 V392 D393 F400 L410 V418 H421 R423 V448	G386-W389 PolarHBondContact O-N 3.47Å; R387-W389 VanDerWaalsContact C-N 3.27Å; R387-W389 PolarHBondContact O-N 3.07Å; W389-I391 VanDerWaalsContact C-N 3.31Å; W389-I391 PolarHBondContact O-N 3.4Å; W389-V392 HydrophobicContact CE3-CG2 4.3Å; W389-V392 PolarHBondContact O-N 2.89Å; W389-D393 PolarHBondContact O-N 3.2Å; W389-F400 HydrophobicContact CH2-CE1 4.09Å; W389-F400 HydrophobicContact CZ3-CD1 4.35Å; W389-F400 AromaticContact CZ3-CE1 3.89Å; W389-F400 HydrophobicContact CZ3-CE1 3.89Å; W389-F400 HydrophobicContact CZ3-CZ 4.24Å; W389-L410 HydrophobicContact CH2-CD1 4.16Å; W389-L410 HydrophobicContact CZ2-CD1 3.59Å; W389-V418 HydrophobicContact CD2-CG1 4.41Å; W389-V418 HydrophobicContact CZ2-CG1 4.44Å; W389-V418 HydrophobicContact CZ2-CG2 3.92Å; W389-H421 HydrophobicContact CB-CB 3.57Å; W389-H421 VanDerWaalsContact CB-CG 3.43Å; W389-R423 HydrophobicContact CB-CG 4.49Å; W389-R423 HydrophobicContact CE3-CG 4.48Å; W389-V448 HydrophobicContact CE3-CG1 4.35Å; W389-V448 HydrophobicContact CH2-CB 4.22Å; W389-V448 HydrophobicContact CH2-CG1 3.55Å; W389-V448 HydrophobicContact CH2-CG2 3.55Å; W389-V448 HydrophobicContact CZ2-CG1 4.47Å; W389-V448 HydrophobicContact CZ2-CG2 3.82Å; W389-V448 HydrophobicContact CZ3-CG1 3.48Å; W389-V448 VanDerWaalsContact CZ3-CG1 3.48Å; W389-V448 HydrophobicContact CZ3-CG2 4.32Å
390	Q	97.8	Very high	96.1	Very high	61 Å²	61	28.4 Å²	28.4	29%	0.285	15%	0.146	S	C	.	.	H	α-helix	trans	-58.9	-43.1	168.2	-63.8	168	6.2	0	0	111.2	D384 G386 R387 D393 K394 H421	D384-Q390 PolarHBondContact OD2-NE2 3.11Å; G386-Q390 WeakPolarHBondContact O-CG 3.14Å; G386-Q390 PolarHBondContact O-N 3.28Å; R387-Q390 WeakPolarHBondContact O-CB 3.09Å; R387-Q390 PolarHBondContact O-N 2.82Å; Q390-D393 PolarHBondContact O-N 3.5Å; Q390-K394 WeakPolarHBondContact O-CB 3.4Å; Q390-K394 PolarHBondContact O-N 3.22Å; Q390-H421 WeakPolarHBondContact CG-NE2 3.49Å
391	I	98.5	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69	-41.8	179	-66.2	166.9	0	0	0	110.8	E109 W348 V374 F376 R387 M388 W389 D393 K394 Y395	E109-I391 HydrophobicContact CG-CD1 3.9Å; E109-I391 HydrophobicContact CG-CG1 4.11Å; W348-I391 HydrophobicContact CD2-CG2 4.27Å; W348-I391 HydrophobicContact CE3-CB 4.44Å; W348-I391 HydrophobicContact CE3-CG2 3.81Å; W348-I391 HydrophobicContact CH2-CB 3.61Å; W348-I391 HydrophobicContact CH2-CD1 3.63Å; W348-I391 HydrophobicContact CH2-CG1 4.21Å; W348-I391 HydrophobicContact CH2-CG2 3.5Å; W348-I391 HydrophobicContact CZ2-CB 4.46Å; W348-I391 HydrophobicContact CZ2-CD1 4.01Å; W348-I391 HydrophobicContact CZ2-CG2 3.97Å; W348-I391 HydrophobicContact CZ3-CB 3.6Å; W348-I391 HydrophobicContact CZ3-CD1 4.5Å; W348-I391 HydrophobicContact CZ3-CG2 3.42Å; W348-I391 VanDerWaalsContact CZ3-CG2 3.42Å; V374-I391 HydrophobicContact CG1-CG2 3.89Å; F376-I391 HydrophobicContact CD2-CD1 3.73Å; F376-I391 HydrophobicContact CE2-CD1 3.56Å; F376-I391 HydrophobicContact CG-CD1 4.37Å; F376-I391 HydrophobicContact CZ-CD1 4.06Å; R387-I391 HydrophobicContact CG-CD1 4.09Å; R387-I391 WeakPolarHBondContact O-CG1 3.36Å; R387-I391 PolarHBondContact O-N 3.48Å; R387-I391 VanDerWaalsContact O-N 3.17Å; M388-I391 PolarHBondContact O-N 3.37Å; W389-I391 VanDerWaalsContact C-N 3.31Å; W389-I391 PolarHBondContact O-N 3.4Å; I391-D393 VanDerWaalsContact C-N 3.31Å; I391-D393 PolarHBondContact O-N 2.68Å; I391-K394 PolarHBondContact O-N 3.06Å; I391-Y395 HydrophobicContact CG2-CD2 3.73Å; I391-Y395 HydrophobicContact CG2-CE2 4.02Å; I391-Y395 PolarHBondContact O-N 3.17Å
392	V	98.8	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55	-48.8	173.4	166.9	0	0	0	0	110.6	W348 M388 W389 Q396 V397 F400 R423 L426	W348-V392 HydrophobicContact CE3-CG2 4.11Å; W348-V392 HydrophobicContact CZ3-CG2 4.03Å; M388-V392 WeakPolarHBondContact O-CG2 3.41Å; M388-V392 PolarHBondContact O-N 3Å; W389-V392 HydrophobicContact CE3-CG2 4.3Å; W389-V392 PolarHBondContact O-N 2.89Å; V392-Q396 VanDerWaalsContact O-CA 3.29Å; V392-Q396 WeakPolarHBondContact O-CA 3.26Å; V392-Q396 PolarHBondContact O-N 2.98Å; V392-V397 HydrophobicContact CB-CB 4.37Å; V392-V397 HydrophobicContact CG1-CB 4.27Å; V392-V397 HydrophobicContact CG2-CB 4.2Å; V392-V397 HydrophobicContact CG2-CG2 4.49Å; V392-V397 PolarHBondContact O-N 2.69Å; V392-F400 HydrophobicContact CG2-CD2 4.37Å; V392-R423 HydrophobicContact CG1-CB 4.34Å; V392-R423 HydrophobicContact CG1-CG 4.14Å; V392-L426 HydrophobicContact CG1-CD1 4.17Å; V392-L426 HydrophobicContact CG1-CD2 3.96Å; V392-L426 HydrophobicContact CG1-CG 3.89Å; V392-L426 HydrophobicContact CG2-CD2 4.42Å
393	D	98.6	Very high	96.6	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.203	14%	0.135	C	C	.	.	H	α-helix	trans	-70.3	-39.3	179.6	-75.3	-7.6	0	0	0	112.4	W389 Q390 I391 Y395 Q396 H421 N422 R423	W389-D393 PolarHBondContact O-N 3.2Å; Q390-D393 PolarHBondContact O-N 3.5Å; I391-D393 VanDerWaalsContact C-N 3.31Å; I391-D393 PolarHBondContact O-N 2.68Å; D393-Y395 PolarHBondContact O-N 3.45Å; D393-Q396 PolarHBondContact O-NE2 3.4Å; D393-H421 WeakPolarHBondContact OD2-CA 3.43Å; D393-H421 WeakPolarHBondContact OD2-CB 3.38Å; D393-H421 IonicContact OD2-CD2 3.63Å; D393-N422 PolarHBondContact OD1-N 3.25Å; D393-N422 PolarHBondContact OD2-N 3.48Å; D393-R423 PolarHBondContact OD1-N 3.22Å
394	K	98.4	Very high	96	Very high	91 Å²	91	22.5 Å²	22.5	40%	0.396	12%	0.115	S	C	.	.	H	α-helix	trans	-60.1	-46.5	-180	179.9	179.5	178.2	-175.7	0	111.8	E109 D116 Q390 I391	E109-K394 IonicContact OE1-NZ 3.66Å; E109-K394 IonicContact OE2-NZ 3.57Å; E109-K394 PolarHBondContact OE2-NZ 3.02Å; D116-K394 IonicContact OD2-NZ 2.78Å; D116-K394 PolarHBondContact OD2-NZ 3.47Å; Q390-K394 WeakPolarHBondContact O-CB 3.4Å; Q390-K394 PolarHBondContact O-N 3.22Å; I391-K394 PolarHBondContact O-N 3.06Å
395	Y	98.6	Very high	95.1	Very high	20 Å²	20	20.7 Å²	20.7	8%	0.078	11%	0.107	C	C	.	.	H	α-helix	trans	-102.6	3.9	-174.5	-59.5	-60.6	0	0	0	114	F107 E109 V374 I391 D393 V397	F107-Y395 HydrophobicContact CB-CD1 3.82Å; F107-Y395 HydrophobicContact CB-CD2 4.33Å; F107-Y395 HydrophobicContact CB-CE1 3.68Å; F107-Y395 HydrophobicContact CB-CE2 4.21Å; F107-Y395 HydrophobicContact CB-CG 4.14Å; F107-Y395 AromaticContact CD1-CD1 3.58Å; F107-Y395 HydrophobicContact CD1-CD1 3.58Å; F107-Y395 AromaticContact CD1-CE1 3.52Å; F107-Y395 HydrophobicContact CD1-CE1 3.52Å; F107-Y395 AromaticContact CD2-CD1 3.74Å; F107-Y395 HydrophobicContact CD2-CD1 3.74Å; F107-Y395 HydrophobicContact CD2-CE1 4.39Å; F107-Y395 HydrophobicContact CD2-CG 4.04Å; F107-Y395 AromaticContact CE1-CD1 3.97Å; F107-Y395 HydrophobicContact CE1-CD1 3.97Å; F107-Y395 HydrophobicContact CE1-CE1 4.18Å; F107-Y395 HydrophobicContact CE2-CD1 4.13Å; F107-Y395 AromaticContact CG-CD1 3.43Å; F107-Y395 HydrophobicContact CG-CD1 3.43Å; F107-Y395 VanDerWaalsContact CG-CD1 3.43Å; F107-Y395 AromaticContact CG-CE1 3.62Å; F107-Y395 HydrophobicContact CG-CE1 3.62Å; F107-Y395 HydrophobicContact CG-CG 4.02Å; F107-Y395 HydrophobicContact CZ-CD1 4.23Å; E109-Y395 HydrophobicContact CB-CE2 4.35Å; E109-Y395 WeakPolarHBondContact OE2-CE2 3.15Å; E109-Y395 PolarHBondContact OE2-OH 2.83Å; V374-Y395 HydrophobicContact CG1-CD2 4.3Å; V374-Y395 HydrophobicContact CG1-CE2 4.46Å; V374-Y395 HydrophobicContact CG2-CD2 3.93Å; V374-Y395 HydrophobicContact CG2-CG 4.22Å; I391-Y395 HydrophobicContact CG2-CD2 3.73Å; I391-Y395 HydrophobicContact CG2-CE2 4.02Å; I391-Y395 PolarHBondContact O-N 3.17Å; D393-Y395 PolarHBondContact O-N 3.45Å; Y395-V397 VanDerWaalsContact C-N 3.3Å; Y395-V397 PolarHBondContact O-N 2.88Å
396	Q	98.7	Very high	94.4	Very high	102 Å²	102	20.1 Å²	20.1	48%	0.477	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	47.8	-176.8	-60.7	-65.7	-63.8	0	0	111.9	V392 D393 T398	V392-Q396 VanDerWaalsContact O-CA 3.29Å; V392-Q396 WeakPolarHBondContact O-CA 3.26Å; V392-Q396 PolarHBondContact O-N 2.98Å; D393-Q396 PolarHBondContact O-NE2 3.4Å; Q396-T398 PolarHBondContact O-N 2.9Å
397	V	98.9	Very high	93.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.			trans	-57.7	129.1	-179.4	175.8	0	0	0	0	109.5	V346 W348 V374 V392 Y395 K399 F400 S425 L426	V346-V397 HydrophobicContact CG1-CG2 4.19Å; W348-V397 HydrophobicContact CB-CG1 3.8Å; W348-V397 HydrophobicContact CB-CG2 4.14Å; W348-V397 HydrophobicContact CE3-CG2 4.22Å; V374-V397 HydrophobicContact CG2-CG2 3.98Å; V392-V397 HydrophobicContact CB-CB 4.37Å; V392-V397 HydrophobicContact CG1-CB 4.27Å; V392-V397 HydrophobicContact CG2-CB 4.2Å; V392-V397 HydrophobicContact CG2-CG2 4.49Å; V392-V397 PolarHBondContact O-N 2.69Å; Y395-V397 VanDerWaalsContact C-N 3.3Å; Y395-V397 PolarHBondContact O-N 2.88Å; V397-K399 VanDerWaalsContact CG1-O 3.32Å; V397-K399 WeakPolarHBondContact CG1-O 3.48Å; V397-F400 HydrophobicContact CG1-CB 4.29Å; V397-S425 CarbonylContact O-C 3.33Å; V397-S425 VanDerWaalsContact O-CB 3.3Å; V397-S425 WeakPolarHBondContact O-CB 3.46Å; V397-S425 PolarHBondContact O-OG 2.91Å; V397-L426 HydrophobicContact CB-CD2 4.49Å; V397-L426 HydrophobicContact CG1-CD2 4.14Å; V397-L426 WeakPolarHBondContact O-CD2 3.29Å; V397-L426 PolarHBondContact O-N 2.82Å
398	T	98.6	Very high	93.1	Very high	14 Å²	14	23.7 Å²	23.7	9%	0.086	12%	0.118	C	C	.	.	S	Bend	trans	-104.4	-27.5	178.8	64.4	0	0	0	0	112.6	D345 V346 Q396 S425 K427 V428	D345-T398 WeakPolarHBondContact CA-OG1 3.43Å; D345-T398 WeakPolarHBondContact CB-OG1 3.05Å; D345-T398 VanDerWaalsContact OD1-CB 3.28Å; D345-T398 WeakPolarHBondContact OD1-CB 3.07Å; D345-T398 PolarHBondContact OD1-OG1 3Å; V346-T398 PolarHBondContact N-OG1 3.1Å; V346-T398 PolarHBondContact O-N 3.34Å; V346-T398 PolarHBondContact O-OG1 3.49Å; Q396-T398 PolarHBondContact O-N 2.9Å; T398-S425 VanDerWaalsContact CA-O 3.32Å; T398-S425 WeakPolarHBondContact CA-O 3.39Å; T398-S425 WeakPolarHBondContact CG2-O 3.5Å; T398-K427 PolarHBondContact O-N 3.17Å; T398-V428 PolarHBondContact O-N 3.35Å
399	K	98.6	Very high	92.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.9	178.9	-47.5	-62.8	176.4	154.8	0	109.2	F339 D340 D345 V346 Y347 W348 V397 V428	F339-K399 VanDerWaalsContact O-CD 3.28Å; F339-K399 WeakPolarHBondContact O-CD 3.04Å; F339-K399 VanDerWaalsContact O-CE 3.26Å; F339-K399 WeakPolarHBondContact O-CE 3.16Å; F339-K399 PolarHBondContact O-NZ 3.15Å; D340-K399 PolarHBondContact O-NZ 3.43Å; D345-K399 HydrophobicContact CB-CG 4.39Å; D345-K399 WeakPolarHBondContact OD1-CE 3.41Å; D345-K399 WeakPolarHBondContact OD2-CE 3.48Å; D345-K399 IonicContact OD2-NZ 3.61Å; D345-K399 PolarHBondContact OD2-NZ 2.92Å; V346-K399 PolarHBondContact O-N 3.04Å; Y347-K399 HydrophobicContact CD2-CB 3.65Å; Y347-K399 HydrophobicContact CD2-CG 4.48Å; Y347-K399 HydrophobicContact CE2-CB 4.49Å; Y347-K399 HydrophobicContact CG-CB 4.45Å; W348-K399 PolarHBondContact N-O 2.62Å; V397-K399 VanDerWaalsContact CG1-O 3.32Å; V397-K399 WeakPolarHBondContact CG1-O 3.48Å; K399-V428 WeakPolarHBondContact CA-O 3.47Å; K399-V428 HydrophobicContact CD-CB 3.7Å; K399-V428 HydrophobicContact CD-CG2 3.83Å
400	F	98.8	Very high	91.4	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.2	-175.3	-179.1	-112.4	0	0	0	111.2	W348 T350 M388 W389 V392 V397 T402 L426 V428 L429 G430 Y444	W348-F400 HydrophobicContact CB-CD2 4.35Å; W348-F400 HydrophobicContact CD2-CD2 4.05Å; W348-F400 AromaticContact CD2-CE2 3.92Å; W348-F400 HydrophobicContact CD2-CE2 3.92Å; W348-F400 AromaticContact CE3-CD2 3.59Å; W348-F400 HydrophobicContact CE3-CD2 3.59Å; W348-F400 AromaticContact CE3-CE2 3.47Å; W348-F400 HydrophobicContact CE3-CE2 3.47Å; W348-F400 VanDerWaalsContact CE3-CE2 3.47Å; W348-F400 HydrophobicContact CG-CD2 4.39Å; W348-F400 HydrophobicContact CH2-CE2 4.31Å; W348-F400 HydrophobicContact CZ3-CD2 4.2Å; W348-F400 AromaticContact CZ3-CE2 3.68Å; W348-F400 HydrophobicContact CZ3-CE2 3.68Å; T350-F400 HydrophobicContact CG2-CD2 4.38Å; T350-F400 HydrophobicContact CG2-CE2 3.46Å; T350-F400 VanDerWaalsContact CG2-CE2 3.46Å; T350-F400 HydrophobicContact CG2-CZ 3.79Å; M388-F400 HydrophobicContact SD-CZ 3.87Å; W389-F400 HydrophobicContact CH2-CE1 4.09Å; W389-F400 HydrophobicContact CZ3-CD1 4.35Å; W389-F400 AromaticContact CZ3-CE1 3.89Å; W389-F400 HydrophobicContact CZ3-CE1 3.89Å; W389-F400 HydrophobicContact CZ3-CZ 4.24Å; V392-F400 HydrophobicContact CG2-CD2 4.37Å; V397-F400 HydrophobicContact CG1-CB 4.29Å; F400-T402 HydrophobicContact CE1-CG2 3.75Å; F400-T402 HydrophobicContact CZ-CG2 4.17Å; F400-L426 HydrophobicContact CB-CD2 3.69Å; F400-V428 PolarHBondContact N-O 3.01Å; F400-L429 HydrophobicContact CB-CD2 4.12Å; F400-L429 HydrophobicContact CD1-CD2 4.19Å; F400-L429 CarbonylContact O-C 3.52Å; F400-L429 WeakPolarHBondContact O-CA 3.33Å; F400-G430 PolarHBondContact O-N 2.98Å; F400-Y444 HydrophobicContact CD1-CE2 4.18Å; F400-Y444 WeakPolarHBondContact CD1-OH 3.3Å; F400-Y444 HydrophobicContact CE1-CE2 4.23Å; F400-Y444 PolarHBondContact O-OH 3.35Å
401	Y	98.8	Very high	90.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115	-171	-174.9	-142.5	0	0	0	111.4	F339 Y347 W348 C349 T350 T357 Y361 G430 V432 T458 W460 H467	F339-Y401 HydrophobicContact CE1-CD1 4.3Å; F339-Y401 AromaticContact CE1-CD2 3.89Å; F339-Y401 HydrophobicContact CE1-CD2 3.89Å; F339-Y401 HydrophobicContact CE1-CE2 4.37Å; F339-Y401 AromaticContact CE1-CG 3.82Å; F339-Y401 HydrophobicContact CE1-CG 3.82Å; F339-Y401 HydrophobicContact CE2-CD1 4.35Å; F339-Y401 HydrophobicContact CE2-CE1 4.43Å; F339-Y401 AromaticContact CZ-CD1 3.56Å; F339-Y401 HydrophobicContact CZ-CD1 3.56Å; F339-Y401 AromaticContact CZ-CD2 3.75Å; F339-Y401 HydrophobicContact CZ-CD2 3.75Å; F339-Y401 AromaticContact CZ-CE1 3.77Å; F339-Y401 HydrophobicContact CZ-CE1 3.77Å; F339-Y401 AromaticContact CZ-CE2 3.92Å; F339-Y401 HydrophobicContact CZ-CE2 3.92Å; F339-Y401 AromaticContact CZ-CG 3.53Å; F339-Y401 HydrophobicContact CZ-CG 3.53Å; F339-Y401 AromaticContact CZ-CZ 3.92Å; Y347-Y401 VanDerWaalsContact OH-CD1 3.29Å; Y347-Y401 WeakPolarHBondContact OH-CD1 3.42Å; W348-Y401 PolarHBondContact O-N 2.67Å; C349-Y401 WeakPolarHBondContact CA-O 3.41Å; C349-Y401 HydrophobicContact CB-CD1 4Å; C349-Y401 VanDerWaalsContact SG-CD1 3.51Å; T350-Y401 PolarHBondContact N-O 3.36Å; T357-Y401 HydrophobicContact CG2-CD1 4.31Å; T357-Y401 HydrophobicContact CG2-CE1 3.66Å; Y361-Y401 HydrophobicContact CD2-CE1 4.08Å; Y361-Y401 HydrophobicContact CG-CE1 4.29Å; Y401-G430 VanDerWaalsContact CD2-C 3.46Å; Y401-V432 HydrophobicContact CD2-CB 4.49Å; Y401-V432 HydrophobicContact CD2-CG1 4.19Å; Y401-V432 HydrophobicContact CE1-CB 4.34Å; Y401-V432 HydrophobicContact CE1-CG1 4.04Å; Y401-V432 HydrophobicContact CE2-CB 3.5Å; Y401-V432 VanDerWaalsContact CE2-CB 3.5Å; Y401-V432 HydrophobicContact CE2-CG1 3.61Å; Y401-V432 HydrophobicContact CE2-CG2 4.43Å; Y401-V432 VanDerWaalsContact CZ-CB 3.41Å; Y401-V432 WeakPolarHBondContact OH-CB 3.4Å; Y401-V432 WeakPolarHBondContact OH-CG2 3.5Å; Y401-T458 HydrophobicContact CE2-CG2 4.2Å; Y401-T458 WeakPolarHBondContact CE2-OG1 3.46Å; Y401-T458 PolarHBondContact OH-OG1 3.47Å; Y401-W460 PolarHBondContact OH-NE1 2.92Å; Y401-H467 AromaticContact CZ-NE2 3.84Å; Y401-H467 PolarHBondContact OH-NE2 3.31Å
402	T	95.4	Very high	89.8	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	170.2	-173.5	-164	0	0	0	0	112.7	T350 F400 A406 I407 G430 T431 V432	T350-T402 WeakPolarHBondContact OG1-CB 3.36Å; T350-T402 PolarHBondContact OG1-OG1 3.18Å; F400-T402 HydrophobicContact CE1-CG2 3.75Å; F400-T402 HydrophobicContact CZ-CG2 4.17Å; T402-A406 WeakPolarHBondContact OG1-CB 3.27Å; T402-I407 HydrophobicContact CG2-CD1 4.03Å; T402-I407 HydrophobicContact CG2-CG1 3.71Å; T402-G430 PolarHBondContact N-O 3.16Å; T402-T431 VanDerWaalsContact O-CA 3.24Å; T402-T431 WeakPolarHBondContact O-CA 3.47Å; T402-T431 PolarHBondContact O-OG1 3.18Å; T402-V432 PolarHBondContact O-N 3.46Å
403	A	82.1	Confident	89.2	Confident	34 Å²	34	39.1 Å²	39.1	28%	0.281	19%	0.186	S	C	.	.			trans	-85	148.7	179.4	0	0	0	0	0	111.8	T405 A406 I407 V432	A403-T405 PolarHBondContact O-N 2.87Å; A403-T405 VanDerWaalsContact O-N 3.14Å; A403-A406 WeakPolarHBondContact O-CB 3.32Å; A403-A406 PolarHBondContact O-N 3.36Å; A403-I407 PolarHBondContact O-N 3.47Å; A403-V432 WeakPolarHBondContact CA-O 3.24Å
404	P	82.8	Confident	88.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-52.6	-33.2	171.4	-27.6	36	0	0	0	113.7	A406 I407 R408 T431 V432 E434 I436	P404-A406 VanDerWaalsContact C-N 3.33Å; P404-A406 PolarHBondContact O-N 2.93Å; P404-I407 WeakPolarHBondContact O-CB 3.34Å; P404-I407 PolarHBondContact O-N 2.93Å; P404-I407 VanDerWaalsContact O-N 3.16Å; P404-R408 VanDerWaalsContact CB-NH1 3.29Å; P404-R408 WeakPolarHBondContact O-CG 3.46Å; P404-R408 PolarHBondContact O-N 2.99Å; P404-T431 VanDerWaalsContact CD-OG1 3.23Å; P404-T431 WeakPolarHBondContact CD-OG1 3.41Å; P404-T431 VanDerWaalsContact CG-OG1 3.22Å; P404-T431 WeakPolarHBondContact CG-OG1 3.24Å; P404-V432 WeakPolarHBondContact CD-O 3.46Å; P404-E434 HydrophobicContact CB-CG 3.94Å; P404-E434 WeakPolarHBondContact CB-OE1 3.47Å; P404-E434 HydrophobicContact CG-CG 3.72Å; P404-E434 WeakPolarHBondContact CG-O 3.36Å; P404-I436 HydrophobicContact CB-CB 4.21Å; P404-I436 HydrophobicContact CB-CG1 4.24Å; P404-I436 HydrophobicContact CG-CB 3.89Å; P404-I436 HydrophobicContact CG-CG1 4.34Å
405	T	75.4	Confident	88.5	Confident	31 Å²	31	36.3 Å²	36.3	19%	0.19	19%	0.186	C	C	.	.	H	α-helix	trans	-57.3	-43.9	173.9	-71.2	0	0	0	0	112.3	A403 R408 L409 E434 S653	A403-T405 PolarHBondContact O-N 2.87Å; A403-T405 VanDerWaalsContact O-N 3.14Å; T405-R408 PolarHBondContact OG1-NH2 3.5Å; T405-L409 WeakPolarHBondContact O-CB 3.49Å; T405-L409 PolarHBondContact O-N 3.04Å; T405-E434 WeakPolarHBondContact CA-OE1 3.45Å; T405-E434 WeakPolarHBondContact CB-OE1 3.44Å; T405-E434 PolarHBondContact N-OE1 3.5Å; T405-E434 VanDerWaalsContact OG1-CD 3.3Å; T405-E434 PolarHBondContact OG1-OE1 2.73Å; T405-E434 PolarHBondContact OG1-OE2 2.79Å; T405-S653 WeakPolarHBondContact CG2-O 3.14Å
406	A	77.1	Confident	88.4	Confident	13 Å²	13	40.3 Å²	40.3	11%	0.107	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-39.1	176.5	0	0	0	0	0	111.1	T402 A403 P404 L409 L410	T402-A406 WeakPolarHBondContact OG1-CB 3.27Å; A403-A406 WeakPolarHBondContact O-CB 3.32Å; A403-A406 PolarHBondContact O-N 3.36Å; P404-A406 VanDerWaalsContact C-N 3.33Å; P404-A406 PolarHBondContact O-N 2.93Å; A406-L409 WeakPolarHBondContact O-CB 3.17Å; A406-L409 PolarHBondContact O-N 3.34Å; A406-L410 VanDerWaalsContact O-CG 3.29Å; A406-L410 WeakPolarHBondContact O-CG 3.35Å; A406-L410 PolarHBondContact O-N 3.1Å
407	I	83	Confident	88.2	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-51.6	176.5	-62	169	0	0	0	110.4	T402 A403 P404 L409 L410 M411 I436 A440 W443 Y444	T402-I407 HydrophobicContact CG2-CD1 4.03Å; T402-I407 HydrophobicContact CG2-CG1 3.71Å; A403-I407 PolarHBondContact O-N 3.47Å; P404-I407 WeakPolarHBondContact O-CB 3.34Å; P404-I407 PolarHBondContact O-N 2.93Å; P404-I407 VanDerWaalsContact O-N 3.16Å; I407-L409 VanDerWaalsContact C-N 3.33Å; I407-L409 PolarHBondContact O-N 2.62Å; I407-L410 PolarHBondContact O-N 3.28Å; I407-M411 WeakPolarHBondContact O-CB 3.49Å; I407-M411 PolarHBondContact O-N 3.2Å; I407-I436 HydrophobicContact CD1-CD1 3.97Å; I407-A440 HydrophobicContact CG2-CB 4.29Å; I407-W443 HydrophobicContact CG2-CE3 3.86Å; I407-W443 HydrophobicContact CG2-CZ3 4.04Å; I407-Y444 HydrophobicContact CD1-CD1 3.48Å; I407-Y444 VanDerWaalsContact CD1-CD1 3.48Å; I407-Y444 HydrophobicContact CD1-CD2 4.26Å; I407-Y444 HydrophobicContact CD1-CE1 3.55Å; I407-Y444 HydrophobicContact CD1-CE2 4.34Å; I407-Y444 HydrophobicContact CD1-CG 3.86Å; I407-Y444 HydrophobicContact CG1-CD1 4.37Å; I407-Y444 HydrophobicContact CG1-CD2 4.29Å; I407-Y444 HydrophobicContact CG1-CE1 4.41Å; I407-Y444 HydrophobicContact CG1-CE2 4.36Å; I407-Y444 HydrophobicContact CG1-CG 4.32Å; I407-Y444 HydrophobicContact CG2-CD2 4.49Å; I407-Y444 HydrophobicContact CG2-CG 4.27Å
408	R	80.9	Confident	88.1	Confident	80 Å²	80	36.8 Å²	36.8	30%	0.302	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-39.5	178.1	-70.9	-170.7	-61.4	-87	-4.9	112.3	P404 T405 L410 M411 K412 E434 A440	P404-R408 VanDerWaalsContact CB-NH1 3.29Å; P404-R408 WeakPolarHBondContact O-CG 3.46Å; P404-R408 PolarHBondContact O-N 2.99Å; T405-R408 PolarHBondContact OG1-NH2 3.5Å; R408-L410 VanDerWaalsContact C-N 3.35Å; R408-L410 PolarHBondContact O-N 3.24Å; R408-M411 PolarHBondContact O-N 2.89Å; R408-K412 PolarHBondContact O-N 3.43Å; R408-E434 IonicContact CZ-OE1 2.56Å; R408-E434 IonicContact NH1-OE1 3.03Å; R408-E434 IonicContact NH2-OE1 3.51Å; R408-E434 PolarHBondContact NH2-OE1 3.4Å; R408-E434 IonicContact NH2-OE2 3.56Å; R408-A440 HydrophobicContact CG-CB 3.99Å
409	L	76.1	Confident	88	Confident	67 Å²	67	41.5 Å²	41.5	35%	0.351	22%	0.216	S	C	.	.	H	α-helix	trans	-58.4	-47.2	174.9	173.8	63.7	0	0	0	111.4	T381 T405 A406 I407 Y413	T381-L409 HydrophobicContact CG2-CD2 3.83Å; T381-L409 HydrophobicContact CG2-CG 4.13Å; T405-L409 WeakPolarHBondContact O-CB 3.49Å; T405-L409 PolarHBondContact O-N 3.04Å; A406-L409 WeakPolarHBondContact O-CB 3.17Å; A406-L409 PolarHBondContact O-N 3.34Å; I407-L409 VanDerWaalsContact C-N 3.33Å; I407-L409 PolarHBondContact O-N 2.62Å; L409-Y413 HydrophobicContact CD1-CE2 4.23Å; L409-Y413 VanDerWaalsContact O-CD2 3.24Å; L409-Y413 WeakPolarHBondContact O-CD2 3.37Å; L409-Y413 WeakPolarHBondContact O-CE2 3.4Å
410	L	84	Confident	87.9	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-70.7	-38.7	-179.8	-64.5	171.6	0	0	0	111.6	P380 T381 V385 M388 W389 A406 I407 R408 K412 Y413 W443	P380-L410 HydrophobicContact CB-CD2 4.42Å; T381-L410 HydrophobicContact CG2-CD2 4.3Å; V385-L410 HydrophobicContact CG1-CD2 3.74Å; M388-L410 HydrophobicContact SD-CD1 3.85Å; W389-L410 HydrophobicContact CH2-CD1 4.16Å; W389-L410 HydrophobicContact CZ2-CD1 3.59Å; A406-L410 VanDerWaalsContact O-CG 3.29Å; A406-L410 WeakPolarHBondContact O-CG 3.35Å; A406-L410 PolarHBondContact O-N 3.1Å; I407-L410 PolarHBondContact O-N 3.28Å; R408-L410 VanDerWaalsContact C-N 3.35Å; R408-L410 PolarHBondContact O-N 3.24Å; L410-K412 PolarHBondContact O-N 3.11Å; L410-Y413 PolarHBondContact O-N 2.65Å; L410-W443 HydrophobicContact CB-CH2 3.94Å; L410-W443 HydrophobicContact CB-CZ3 4.48Å
411	M	83.9	Confident	87.8	Confident	39 Å²	39	51 Å²	51	19%	0.192	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-35.9	176.8	-176.3	174.4	84.1	0	0	112.8	I407 R408 Y413 G414 A440 W443	I407-M411 WeakPolarHBondContact O-CB 3.49Å; I407-M411 PolarHBondContact O-N 3.2Å; R408-M411 PolarHBondContact O-N 2.89Å; M411-Y413 PolarHBondContact O-N 3.27Å; M411-Y413 VanDerWaalsContact O-N 3.11Å; M411-G414 PolarHBondContact O-N 2.93Å; M411-A440 HydrophobicContact SD-CB 4.41Å; M411-W443 HydrophobicContact CB-CD2 3.83Å; M411-W443 HydrophobicContact CB-CE3 4.08Å; M411-W443 HydrophobicContact CB-CG 4.21Å; M411-W443 HydrophobicContact CB-CH2 4.49Å; M411-W443 HydrophobicContact CB-CZ2 4.26Å; M411-W443 HydrophobicContact CB-CZ3 4.41Å; M411-W443 HydrophobicContact CG-CB 4.21Å; M411-W443 HydrophobicContact CG-CD2 3.8Å; M411-W443 HydrophobicContact CG-CE3 4.47Å; M411-W443 HydrophobicContact CG-CG 3.64Å; M411-W443 HydrophobicContact SD-CB 3.67Å; M411-W443 HydrophobicContact SD-CD2 4.32Å; M411-W443 HydrophobicContact SD-CG 3.8Å
412	K	79.2	Confident	87.8	Confident	159 Å²	159	54.6 Å²	54.6	69%	0.691	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.8	176.5	-176.1	175	178.3	173.9	0	113.5	R408 L410 G414	R408-K412 PolarHBondContact O-N 3.43Å; L410-K412 PolarHBondContact O-N 3.11Å; K412-G414 VanDerWaalsContact C-N 3.34Å
413	Y	85.4	Confident	87.9	Confident	116 Å²	116	54.3 Å²	54.3	46%	0.455	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	10.9	-179.4	-62.7	-84.6	0	0	0	113.6	V385 L409 L410 M411 P417	V385-Y413 HydrophobicContact CB-CD2 4.45Å; V385-Y413 HydrophobicContact CB-CG 4.38Å; V385-Y413 HydrophobicContact CG1-CD2 3.61Å; V385-Y413 HydrophobicContact CG1-CE2 4.3Å; V385-Y413 HydrophobicContact CG1-CG 3.77Å; V385-Y413 HydrophobicContact CG2-CD1 3.9Å; V385-Y413 HydrophobicContact CG2-CD2 3.92Å; V385-Y413 HydrophobicContact CG2-CE1 3.95Å; V385-Y413 HydrophobicContact CG2-CE2 3.98Å; V385-Y413 HydrophobicContact CG2-CG 3.87Å; L409-Y413 HydrophobicContact CD1-CE2 4.23Å; L409-Y413 VanDerWaalsContact O-CD2 3.24Å; L409-Y413 WeakPolarHBondContact O-CD2 3.37Å; L409-Y413 WeakPolarHBondContact O-CE2 3.4Å; L410-Y413 PolarHBondContact O-N 2.65Å; M411-Y413 PolarHBondContact O-N 3.27Å; M411-Y413 VanDerWaalsContact O-N 3.11Å; Y413-P417 WeakPolarHBondContact O-CD 3.41Å
414	G	87.9	Confident	88.6	Confident	34 Å²	34	59.6 Å²	59.6	35%	0.351	29%	0.292	S	S	.	.			trans	73	-166.9	-180	0	0	0	0	0	113.5	M411 K412	M411-G414 PolarHBondContact O-N 2.93Å; K412-G414 VanDerWaalsContact C-N 3.34Å
415	S	94.7	Very high	89.3	Confident	37 Å²	37	60.5 Å²	60.5	26%	0.259	30%	0.298	S	S	.	.	S	Bend	trans	-87.9	-22.1	-176.9	54.8	0	0	0	0	114.2	V418 Q419	S415-V418 WeakPolarHBondContact O-CA 3.33Å; S415-V418 WeakPolarHBondContact O-CB 3.49Å; S415-V418 PolarHBondContact O-N 3.01Å; S415-V418 VanDerWaalsContact O-N 3.09Å; S415-Q419 WeakPolarHBondContact O-CB 3.45Å; S415-Q419 WeakPolarHBondContact O-CG 3.29Å; S415-Q419 PolarHBondContact O-N 3.34Å; S415-Q419 PolarHBondContact OG-OE1 3.44Å
416	D	96.2	Very high	90.4	Very high	104 Å²	104	59.1 Å²	59.1	56%	0.556	29%	0.289	S	S	*	.	H	α-helix	trans	-58.1	-44.7	-172.4	-68.2	-0.7	0	0	0	114.4	V418 Q419 K420	D416-V418 PolarHBondContact O-N 3.42Å; D416-Q419 PolarHBondContact O-N 3Å; D416-K420 VanDerWaalsContact O-CG 3.23Å; D416-K420 WeakPolarHBondContact O-CG 3.25Å; D416-K420 PolarHBondContact O-N 3.31Å; D416-K420 VanDerWaalsContact O-N 3.15Å
417	P	95.2	Very high	91.3	Very high	25 Å²	25	61.6 Å²	61.6	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-31.6	178.5	-21.4	33.8	0	0	0	112.5	V385 Y413 H421	V385-P417 HydrophobicContact CB-CB 4.19Å; V385-P417 HydrophobicContact CB-CG 4.4Å; V385-P417 HydrophobicContact CG1-CB 4.09Å; V385-P417 HydrophobicContact CG1-CG 4.23Å; Y413-P417 WeakPolarHBondContact O-CD 3.41Å; P417-H421 PolarHBondContact O-CE1 2.86Å; P417-H421 PolarHBondContact O-ND1 3.39Å
418	V	96.3	Very high	92.1	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-72.2	-63.4	175.9	-176.2	0	0	0	0	108.2	W389 S415 D416 K420 H421 R423 W443 V447 V448	W389-V418 HydrophobicContact CD2-CG1 4.41Å; W389-V418 HydrophobicContact CZ2-CG1 4.44Å; W389-V418 HydrophobicContact CZ2-CG2 3.92Å; S415-V418 WeakPolarHBondContact O-CA 3.33Å; S415-V418 WeakPolarHBondContact O-CB 3.49Å; S415-V418 PolarHBondContact O-N 3.01Å; S415-V418 VanDerWaalsContact O-N 3.09Å; D416-V418 PolarHBondContact O-N 3.42Å; V418-K420 PolarHBondContact O-N 2.77Å; V418-H421 WeakPolarHBondContact O-CB 3.46Å; V418-H421 PolarHBondContact O-N 3.01Å; V418-R423 VanDerWaalsContact CG1-NE 3.32Å; V418-R423 PolarHBondContact O-NH1 3.38Å; V418-W443 HydrophobicContact CG2-CH2 3.83Å; V418-W443 HydrophobicContact CG2-CZ2 3.83Å; V418-V447 HydrophobicContact CB-CG1 4.03Å; V418-V447 HydrophobicContact CG1-CG1 3.98Å; V418-V447 HydrophobicContact CG2-CG1 4.26Å; V418-V448 HydrophobicContact CG1-CG2 4.12Å
419	Q	96.1	Very high	92.9	Very high	113 Å²	113	57.6 Å²	57.6	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-16.8	-171.1	-71.4	175.8	-20.4	0	0	115.7	S415 D416 H421	S415-Q419 WeakPolarHBondContact O-CB 3.45Å; S415-Q419 WeakPolarHBondContact O-CG 3.29Å; S415-Q419 PolarHBondContact O-N 3.34Å; S415-Q419 PolarHBondContact OG-OE1 3.44Å; D416-Q419 PolarHBondContact O-N 3Å; Q419-H421 PolarHBondContact O-N 3.11Å
420	K	96.4	Very high	94	Very high	167 Å²	167	54.4 Å²	54.4	73%	0.726	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.6	169.1	-76	170.2	-173.7	-180	0	113.9	D416 V418	D416-K420 VanDerWaalsContact O-CG 3.23Å; D416-K420 WeakPolarHBondContact O-CG 3.25Å; D416-K420 PolarHBondContact O-N 3.31Å; D416-K420 VanDerWaalsContact O-N 3.15Å; V418-K420 PolarHBondContact O-N 2.77Å
421	H	97.6	Very high	94.5	Very high	36 Å²	36	54.1 Å²	54.1	17%	0.167	26%	0.264	C	S	.	.	S	Bend	trans	-107.1	156.7	-178.8	-59.2	87.3	0	0	0	110.7	W389 Q390 D393 P417 V418 Q419 R423	W389-H421 HydrophobicContact CB-CB 3.57Å; W389-H421 VanDerWaalsContact CB-CG 3.43Å; Q390-H421 WeakPolarHBondContact CG-NE2 3.49Å; D393-H421 WeakPolarHBondContact OD2-CA 3.43Å; D393-H421 WeakPolarHBondContact OD2-CB 3.38Å; D393-H421 IonicContact OD2-CD2 3.63Å; P417-H421 PolarHBondContact O-CE1 2.86Å; P417-H421 PolarHBondContact O-ND1 3.39Å; V418-H421 WeakPolarHBondContact O-CB 3.46Å; V418-H421 PolarHBondContact O-N 3.01Å; Q419-H421 PolarHBondContact O-N 3.11Å; H421-R423 HydrophobicContact CB-CG 4.43Å; H421-R423 PolarHBondContact O-NH1 3.05Å
422	N	97.4	Very high	94.9	Very high	75 Å²	75	52.7 Å²	52.7	40%	0.401	26%	0.258	S	S	.	.			trans	-77.3	-51.5	-171.2	-174.5	23.4	0	0	0	112.6	D393 K424	D393-N422 PolarHBondContact OD1-N 3.25Å; D393-N422 PolarHBondContact OD2-N 3.48Å; N422-K424 PolarHBondContact O-N 3.46Å; N422-K424 WeakPolarHBondContact OD1-CD 3.43Å; N422-K424 VanDerWaalsContact OD1-CE 3.24Å; N422-K424 WeakPolarHBondContact OD1-CE 3.43Å; N422-K424 WeakPolarHBondContact OD1-CG 3.34Å
423	R	97.4	Very high	94.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.			trans	51.4	11.4	179.1	-58.2	-175.6	-49.6	-60.2	-7.9	116.3	W389 V392 D393 V418 H421 S425 L426 V447 V448 E450 R452	W389-R423 HydrophobicContact CB-CG 4.49Å; W389-R423 HydrophobicContact CE3-CG 4.48Å; V392-R423 HydrophobicContact CG1-CB 4.34Å; V392-R423 HydrophobicContact CG1-CG 4.14Å; D393-R423 PolarHBondContact OD1-N 3.22Å; V418-R423 VanDerWaalsContact CG1-NE 3.32Å; V418-R423 PolarHBondContact O-NH1 3.38Å; H421-R423 HydrophobicContact CB-CG 4.43Å; H421-R423 PolarHBondContact O-NH1 3.05Å; R423-S425 PolarHBondContact O-N 2.87Å; R423-L426 HydrophobicContact CB-CD1 3.86Å; R423-L426 HydrophobicContact CB-CG 4.4Å; R423-L426 HydrophobicContact CG-CD1 4.32Å; R423-L426 WeakPolarHBondContact O-CB 3.23Å; R423-L426 PolarHBondContact O-N 3.42Å; R423-L426 VanDerWaalsContact O-N 3.09Å; R423-V447 PolarHBondContact NH2-O 2.88Å; R423-V447 VanDerWaalsContact NH2-O 3.1Å; R423-V448 PolarHBondContact NE-O 3Å; R423-V448 VanDerWaalsContact NE-O 3.12Å; R423-E450 IonicContact NH2-OE1 3.23Å; R423-R452 PolarHBondContact O-NH2 2.7Å
424	K	97.3	Very high	94.4	Very high	145 Å²	145	45.3 Å²	45.3	63%	0.63	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.6	-178.3	-78	-179.7	-168.8	176.7	0	113.6	N422 L426	N422-K424 PolarHBondContact O-N 3.46Å; N422-K424 WeakPolarHBondContact OD1-CD 3.43Å; N422-K424 VanDerWaalsContact OD1-CE 3.24Å; N422-K424 WeakPolarHBondContact OD1-CE 3.43Å; N422-K424 WeakPolarHBondContact OD1-CG 3.34Å; K424-L426 PolarHBondContact O-N 3.23Å
425	S	97.9	Very high	94	Very high	18 Å²	18	46.6 Å²	46.6	13%	0.126	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.1	175	56.9	0	0	0	0	112.9	V397 T398 R423 K427	V397-S425 CarbonylContact O-C 3.33Å; V397-S425 VanDerWaalsContact O-CB 3.3Å; V397-S425 WeakPolarHBondContact O-CB 3.46Å; V397-S425 PolarHBondContact O-OG 2.91Å; T398-S425 VanDerWaalsContact CA-O 3.32Å; T398-S425 WeakPolarHBondContact CA-O 3.39Å; T398-S425 WeakPolarHBondContact CG2-O 3.5Å; R423-S425 PolarHBondContact O-N 2.87Å; S425-K427 PolarHBondContact O-N 3.25Å
426	L	98.4	Very high	93.3	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.239	C	C	.	.			trans	-62	129.3	-178.6	-64.4	174.8	0	0	0	111	V392 V397 F400 R423 K424 L429 V448 R452 C453	V392-L426 HydrophobicContact CG1-CD1 4.17Å; V392-L426 HydrophobicContact CG1-CD2 3.96Å; V392-L426 HydrophobicContact CG1-CG 3.89Å; V392-L426 HydrophobicContact CG2-CD2 4.42Å; V397-L426 HydrophobicContact CB-CD2 4.49Å; V397-L426 HydrophobicContact CG1-CD2 4.14Å; V397-L426 WeakPolarHBondContact O-CD2 3.29Å; V397-L426 PolarHBondContact O-N 2.82Å; F400-L426 HydrophobicContact CB-CD2 3.69Å; R423-L426 HydrophobicContact CB-CD1 3.86Å; R423-L426 HydrophobicContact CB-CG 4.4Å; R423-L426 HydrophobicContact CG-CD1 4.32Å; R423-L426 WeakPolarHBondContact O-CB 3.23Å; R423-L426 PolarHBondContact O-N 3.42Å; R423-L426 VanDerWaalsContact O-N 3.09Å; K424-L426 PolarHBondContact O-N 3.23Å; L426-L429 HydrophobicContact CD1-CD2 4.11Å; L426-V448 HydrophobicContact CD1-CG1 4.14Å; L426-R452 PolarHBondContact O-NH1 3.21Å; L426-R452 VanDerWaalsContact O-NH1 3.16Å; L426-C453 VanDerWaalsContact C-SG 3.56Å; L426-C453 PolarHBondContact O-SG 3.16Å
427	K	97.1	Very high	92.5	Very high	65 Å²	65	41.8 Å²	41.8	28%	0.283	22%	0.221	S	C	.	.			trans	-117	-39.2	177.3	-62.1	-177.7	-177.4	177.2	0	111.9	D345 T398 S425 P454	D345-K427 IonicContact OD1-NZ 3.45Å; T398-K427 PolarHBondContact O-N 3.17Å; S425-K427 PolarHBondContact O-N 3.25Å; K427-P454 WeakPolarHBondContact O-CD 3.16Å
428	V	98.1	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.6	179.5	-178.6	0	0	0	0	109.7	T398 K399 F400 P454 V456 P473	T398-V428 PolarHBondContact O-N 3.35Å; K399-V428 WeakPolarHBondContact CA-O 3.47Å; K399-V428 HydrophobicContact CD-CB 3.7Å; K399-V428 HydrophobicContact CD-CG2 3.83Å; F400-V428 PolarHBondContact N-O 3.01Å; V428-P454 HydrophobicContact CG2-CG 4.45Å; V428-V456 HydrophobicContact CG1-CG1 4.13Å; V428-V456 HydrophobicContact CG1-CG2 4.21Å; V428-P473 HydrophobicContact CG1-CB 4.41Å; V428-P473 HydrophobicContact CG2-CB 4.23Å; V428-P473 HydrophobicContact CG2-CG 4.35Å
429	L	98.8	Very high	91.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.7	170.1	-63.5	179.9	0	0	0	108.5	F400 L426 Y444 V448 C453 P454 I455 V456	F400-L429 HydrophobicContact CB-CD2 4.12Å; F400-L429 HydrophobicContact CD1-CD2 4.19Å; F400-L429 CarbonylContact O-C 3.52Å; F400-L429 WeakPolarHBondContact O-CA 3.33Å; L426-L429 HydrophobicContact CD1-CD2 4.11Å; L429-Y444 HydrophobicContact CB-CD1 4.35Å; L429-Y444 HydrophobicContact CB-CE1 3.71Å; L429-Y444 HydrophobicContact CB-CE2 4.48Å; L429-Y444 HydrophobicContact CD1-CD1 4.25Å; L429-Y444 HydrophobicContact CD1-CD2 3.97Å; L429-Y444 HydrophobicContact CD1-CE1 4.21Å; L429-Y444 HydrophobicContact CD1-CE2 3.9Å; L429-Y444 HydrophobicContact CD1-CG 4.14Å; L429-Y444 WeakPolarHBondContact CD1-O 3.4Å; L429-Y444 HydrophobicContact CD2-CE2 4.02Å; L429-Y444 HydrophobicContact CG-CE1 4.41Å; L429-Y444 HydrophobicContact CG-CE2 4.36Å; L429-V448 HydrophobicContact CD1-CB 4.44Å; L429-V448 HydrophobicContact CD1-CG1 4.38Å; L429-V448 HydrophobicContact CD2-CG1 4.19Å; L429-C453 HydrophobicContact CD1-CB 4.08Å; L429-C453 HydrophobicContact CG-CB 3.74Å; L429-P454 PolarHBondContact N-O 2.94Å; L429-I455 HydrophobicContact CB-CG1 3.98Å; L429-I455 HydrophobicContact CD1-CG1 4.26Å; L429-I455 CarbonylContact O-C 3.53Å; L429-I455 VanDerWaalsContact O-CA 3.25Å; L429-I455 WeakPolarHBondContact O-CA 3.46Å; L429-V456 PolarHBondContact O-N 2.86Å
430	G	98.4	Very high	90.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.4	174	0	0	0	0	0	111.9	F400 Y401 T402 Y444 V456	F400-G430 PolarHBondContact O-N 2.98Å; Y401-G430 VanDerWaalsContact CD2-C 3.46Å; T402-G430 PolarHBondContact N-O 3.16Å; G430-Y444 PolarHBondContact O-OH 2.94Å; G430-V456 CarbonylContact C-O 3.56Å; G430-V456 VanDerWaalsContact CA-O 3.3Å; G430-V456 WeakPolarHBondContact CA-O 3.34Å
431	T	95.6	Very high	90.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.2	175.2	-163.8	0	0	0	0	113.6	T402 P404 I436 I455 V456 D457 T458	T402-T431 VanDerWaalsContact O-CA 3.24Å; T402-T431 WeakPolarHBondContact O-CA 3.47Å; T402-T431 PolarHBondContact O-OG1 3.18Å; P404-T431 VanDerWaalsContact CD-OG1 3.23Å; P404-T431 WeakPolarHBondContact CD-OG1 3.41Å; P404-T431 VanDerWaalsContact CG-OG1 3.22Å; P404-T431 WeakPolarHBondContact CG-OG1 3.24Å; T431-I436 HydrophobicContact CG2-CB 4.3Å; T431-I436 HydrophobicContact CG2-CD1 4.04Å; T431-I436 HydrophobicContact CG2-CG2 4.02Å; T431-I455 HydrophobicContact CG2-CG2 4.15Å; T431-V456 PolarHBondContact N-O 2.87Å; T431-D457 HydrophobicContact CG2-CB 3.89Å; T431-T458 PolarHBondContact O-N 2.99Å; T431-T458 PolarHBondContact O-OG1 3.14Å
432	V	92.3	Very high	90.4	Very high	9 Å²	9	38.7 Å²	38.7	6%	0.055	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	151.5	-167.9	59.8	0	0	0	0	115.1	T357 Y401 T402 A403 P404 T458 W460	T357-V432 HydrophobicContact CG2-CG1 4.13Å; T357-V432 HydrophobicContact CG2-CG2 4.39Å; Y401-V432 HydrophobicContact CD2-CB 4.49Å; Y401-V432 HydrophobicContact CD2-CG1 4.19Å; Y401-V432 HydrophobicContact CE1-CB 4.34Å; Y401-V432 HydrophobicContact CE1-CG1 4.04Å; Y401-V432 HydrophobicContact CE2-CB 3.5Å; Y401-V432 VanDerWaalsContact CE2-CB 3.5Å; Y401-V432 HydrophobicContact CE2-CG1 3.61Å; Y401-V432 HydrophobicContact CE2-CG2 4.43Å; Y401-V432 VanDerWaalsContact CZ-CB 3.41Å; Y401-V432 WeakPolarHBondContact OH-CB 3.4Å; Y401-V432 WeakPolarHBondContact OH-CG2 3.5Å; T402-V432 PolarHBondContact O-N 3.46Å; A403-V432 WeakPolarHBondContact CA-O 3.24Å; P404-V432 WeakPolarHBondContact CD-O 3.46Å; V432-T458 WeakPolarHBondContact CB-OG1 3.3Å; V432-W460 HydrophobicContact CG2-CZ2 4.29Å
433	G	76.1	Confident	90.3	Very high	68 Å²	68	36.8 Å²	36.8	70%	0.701	20%	0.2	S	C	*	.	S	Bend	trans	98.9	-13.7	159	0	0	0	0	0	114.2
434	E	77.6	Confident	90.3	Very high	51 Å²	51	36.9 Å²	36.9	24%	0.238	20%	0.2	C	C	.	.	S	Bend	trans	-161.8	159.5	176.6	49.2	179.1	-163.1	0	0	109.3	P404 T405 R408 I436	P404-E434 HydrophobicContact CB-CG 3.94Å; P404-E434 WeakPolarHBondContact CB-OE1 3.47Å; P404-E434 HydrophobicContact CG-CG 3.72Å; P404-E434 WeakPolarHBondContact CG-O 3.36Å; T405-E434 WeakPolarHBondContact CA-OE1 3.45Å; T405-E434 WeakPolarHBondContact CB-OE1 3.44Å; T405-E434 PolarHBondContact N-OE1 3.5Å; T405-E434 VanDerWaalsContact OG1-CD 3.3Å; T405-E434 PolarHBondContact OG1-OE1 2.73Å; T405-E434 PolarHBondContact OG1-OE2 2.79Å; R408-E434 IonicContact CZ-OE1 2.56Å; R408-E434 IonicContact NH1-OE1 3.03Å; R408-E434 IonicContact NH2-OE1 3.51Å; R408-E434 PolarHBondContact NH2-OE1 3.4Å; R408-E434 IonicContact NH2-OE2 3.56Å; E434-I436 PolarHBondContact O-N 2.96Å
435	P	79.2	Confident	90.4	Very high	62 Å²	62	30.9 Å²	30.9	40%	0.403	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-57	134.3	172.6	-25.1	35.2	0	0	0	111.7
436	I	80.7	Confident	90.3	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-93.3	124.4	170.4	-169.3	169.7	0	0	0	109.3	P404 I407 T431 E434 A440 W441 D457 G481	P404-I436 HydrophobicContact CB-CB 4.21Å; P404-I436 HydrophobicContact CB-CG1 4.24Å; P404-I436 HydrophobicContact CG-CB 3.89Å; P404-I436 HydrophobicContact CG-CG1 4.34Å; I407-I436 HydrophobicContact CD1-CD1 3.97Å; T431-I436 HydrophobicContact CG2-CB 4.3Å; T431-I436 HydrophobicContact CG2-CD1 4.04Å; T431-I436 HydrophobicContact CG2-CG2 4.02Å; E434-I436 PolarHBondContact O-N 2.96Å; I436-A440 HydrophobicContact CG1-CB 4.11Å; I436-W441 HydrophobicContact CD1-CB 3.96Å; I436-W441 HydrophobicContact CD1-CG 4.49Å; I436-W441 HydrophobicContact CG1-CB 4.12Å; I436-W441 HydrophobicContact CG2-CB 4.42Å; I436-D457 WeakPolarHBondContact CG2-OD2 3.28Å; I436-G481 VanDerWaalsContact O-CA 3.32Å; I436-G481 WeakPolarHBondContact O-CA 3.44Å
437	N	78.9	Confident	90.3	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.182	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-71.8	148.7	176.1	60.9	-56.3	0	0	0	110.7	E439 A440 W441	N437-E439 VanDerWaalsContact C-N 3.25Å; N437-E439 PolarHBondContact O-N 3.25Å; N437-E439 VanDerWaalsContact O-N 3.15Å; N437-A440 PolarHBondContact O-N 3.13Å; N437-A440 VanDerWaalsContact O-N 3.12Å; N437-A440 WeakPolarHBondContact OD1-CB 3.33Å; N437-W441 PolarHBondContact O-N 2.89Å
438	P	84.3	Confident	90.3	Very high	62 Å²	62	29.3 Å²	29.3	40%	0.403	18%	0.175	S	C	.	.	H	α-helix	trans	-53.5	-37.5	-176.5	-30.5	36.4	0	0	0	114.6	W441 Q442 P480	P438-W441 PolarHBondContact O-N 3.05Å; P438-Q442 WeakPolarHBondContact O-CB 3.46Å; P438-Q442 VanDerWaalsContact O-CG 3.25Å; P438-Q442 WeakPolarHBondContact O-CG 3.43Å; P438-Q442 PolarHBondContact O-N 3.12Å; P438-P480 HydrophobicContact CB-CB 4.1Å
439	E	82.1	Confident	90.3	Very high	105 Å²	105	29.3 Å²	29.3	49%	0.491	18%	0.175	S	C	.	.	H	α-helix	trans	-62.9	-50.1	177.5	-177	-171.6	-172.3	0	0	112.1	N437 W441 Q442 W443	N437-E439 VanDerWaalsContact C-N 3.25Å; N437-E439 PolarHBondContact O-N 3.25Å; N437-E439 VanDerWaalsContact O-N 3.15Å; E439-W441 VanDerWaalsContact C-N 3.3Å; E439-W441 PolarHBondContact O-N 3.04Å; E439-Q442 PolarHBondContact O-N 2.59Å; E439-W443 PolarHBondContact O-N 3.27Å
440	A	81.4	Confident	90.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-37	177.2	0	0	0	0	0	111.7	I407 R408 M411 I436 N437 W443 Y444	I407-A440 HydrophobicContact CG2-CB 4.29Å; R408-A440 HydrophobicContact CG-CB 3.99Å; M411-A440 HydrophobicContact SD-CB 4.41Å; I436-A440 HydrophobicContact CG1-CB 4.11Å; N437-A440 PolarHBondContact O-N 3.13Å; N437-A440 VanDerWaalsContact O-N 3.12Å; N437-A440 WeakPolarHBondContact OD1-CB 3.33Å; A440-W443 PolarHBondContact O-N 2.78Å; A440-Y444 VanDerWaalsContact O-CB 3.3Å; A440-Y444 WeakPolarHBondContact O-CB 3.35Å; A440-Y444 PolarHBondContact O-N 2.94Å
441	W	94.1	Very high	90	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-47.6	173.9	-171.8	102.8	0	0	0	111.1	F12 I436 N437 P438 E439 Y444 H445 I455 T478 P480	F12-W441 HydrophobicContact CB-CH2 3.93Å; F12-W441 AromaticContact CD1-CH2 3.93Å; F12-W441 HydrophobicContact CD1-CH2 3.93Å; F12-W441 HydrophobicContact CD1-CZ3 4.04Å; F12-W441 AromaticContact CD2-CH2 3.73Å; F12-W441 HydrophobicContact CD2-CH2 3.73Å; F12-W441 AromaticContact CD2-CZ3 3.88Å; F12-W441 HydrophobicContact CD2-CZ3 3.88Å; F12-W441 HydrophobicContact CE1-CH2 4.38Å; F12-W441 HydrophobicContact CE1-CZ3 4.02Å; F12-W441 HydrophobicContact CE2-CH2 4.22Å; F12-W441 AromaticContact CE2-CZ3 3.88Å; F12-W441 HydrophobicContact CE2-CZ3 3.88Å; F12-W441 AromaticContact CG-CH2 3.58Å; F12-W441 HydrophobicContact CG-CH2 3.58Å; F12-W441 AromaticContact CG-CZ3 3.98Å; F12-W441 HydrophobicContact CG-CZ3 3.98Å; F12-W441 AromaticContact CZ-CZ3 3.94Å; F12-W441 HydrophobicContact CZ-CZ3 3.94Å; I436-W441 HydrophobicContact CD1-CB 3.96Å; I436-W441 HydrophobicContact CD1-CG 4.49Å; I436-W441 HydrophobicContact CG1-CB 4.12Å; I436-W441 HydrophobicContact CG2-CB 4.42Å; N437-W441 PolarHBondContact O-N 2.89Å; P438-W441 PolarHBondContact O-N 3.05Å; E439-W441 VanDerWaalsContact C-N 3.3Å; E439-W441 PolarHBondContact O-N 3.04Å; W441-Y444 PolarHBondContact O-N 3.02Å; W441-H445 HydrophobicContact CE3-CB 4.15Å; W441-H445 HydrophobicContact CH2-CB 4.2Å; W441-H445 HydrophobicContact CZ3-CB 3.82Å; W441-H445 AromaticContact CZ3-CG 3.96Å; W441-H445 WeakPolarHBondContact O-CB 3.19Å; W441-H445 PolarHBondContact O-N 3.04Å; W441-I455 HydrophobicContact CD2-CD1 3.85Å; W441-I455 HydrophobicContact CE3-CD1 4.41Å; W441-I455 HydrophobicContact CG-CD1 4.12Å; W441-I455 HydrophobicContact CZ2-CB 4.01Å; W441-I455 HydrophobicContact CZ2-CD1 4.04Å; W441-I455 HydrophobicContact CZ2-CG1 4.35Å; W441-I455 WeakPolarHBondContact O-CD1 3.47Å; W441-T478 WeakPolarHBondContact CZ2-OG1 3.43Å; W441-P480 HydrophobicContact CB-CB 4.14Å; W441-P480 HydrophobicContact CD2-CB 3.69Å; W441-P480 HydrophobicContact CD2-CG 4.08Å; W441-P480 HydrophobicContact CE3-CB 3.58Å; W441-P480 HydrophobicContact CE3-CG 3.55Å; W441-P480 HydrophobicContact CG-CB 3.94Å; W441-P480 HydrophobicContact CH2-CG 4.41Å; W441-P480 HydrophobicContact CZ3-CB 4.29Å; W441-P480 HydrophobicContact CZ3-CG 3.75Å
442	Q	95.4	Very high	89.9	Confident	110 Å²	110	45 Å²	45	51%	0.514	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-39.8	179.2	-74.6	177.8	18.4	0	0	112.1	P438 E439 H445 G446 P480	P438-Q442 WeakPolarHBondContact O-CB 3.46Å; P438-Q442 VanDerWaalsContact O-CG 3.25Å; P438-Q442 WeakPolarHBondContact O-CG 3.43Å; P438-Q442 PolarHBondContact O-N 3.12Å; E439-Q442 PolarHBondContact O-N 2.59Å; Q442-H445 PolarHBondContact O-N 3.37Å; Q442-G446 PolarHBondContact O-N 3.26Å; Q442-P480 HydrophobicContact CG-CG 4.5Å
443	W	95.9	Very high	90.2	Very high	35 Å²	35	44.6 Å²	44.6	13%	0.133	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-44.6	173.3	-178.5	91.9	0	0	0	111.4	I407 L410 M411 V418 E439 A440 H445 G446 V447 V448	I407-W443 HydrophobicContact CG2-CE3 3.86Å; I407-W443 HydrophobicContact CG2-CZ3 4.04Å; L410-W443 HydrophobicContact CB-CH2 3.94Å; L410-W443 HydrophobicContact CB-CZ3 4.48Å; M411-W443 HydrophobicContact CB-CD2 3.83Å; M411-W443 HydrophobicContact CB-CE3 4.08Å; M411-W443 HydrophobicContact CB-CG 4.21Å; M411-W443 HydrophobicContact CB-CH2 4.49Å; M411-W443 HydrophobicContact CB-CZ2 4.26Å; M411-W443 HydrophobicContact CB-CZ3 4.41Å; M411-W443 HydrophobicContact CG-CB 4.21Å; M411-W443 HydrophobicContact CG-CD2 3.8Å; M411-W443 HydrophobicContact CG-CE3 4.47Å; M411-W443 HydrophobicContact CG-CG 3.64Å; M411-W443 HydrophobicContact SD-CB 3.67Å; M411-W443 HydrophobicContact SD-CD2 4.32Å; M411-W443 HydrophobicContact SD-CG 3.8Å; V418-W443 HydrophobicContact CG2-CH2 3.83Å; V418-W443 HydrophobicContact CG2-CZ2 3.83Å; E439-W443 PolarHBondContact O-N 3.27Å; A440-W443 PolarHBondContact O-N 2.78Å; W443-H445 PolarHBondContact O-N 3.12Å; W443-G446 PolarHBondContact O-N 3.22Å; W443-V447 HydrophobicContact CD2-CB 4.3Å; W443-V447 HydrophobicContact CD2-CG2 4.45Å; W443-V447 HydrophobicContact CG-CB 4.46Å; W443-V447 HydrophobicContact CG-CG2 4.13Å; W443-V447 HydrophobicContact CZ2-CB 4.46Å; W443-V447 HydrophobicContact CZ2-CG1 4.15Å; W443-V447 WeakPolarHBondContact O-CA 3.43Å; W443-V447 VanDerWaalsContact O-CB 3.27Å; W443-V447 WeakPolarHBondContact O-CB 3.23Å; W443-V447 PolarHBondContact O-N 3.35Å; W443-V448 HydrophobicContact CE3-CG2 4.28Å; W443-V448 HydrophobicContact CH2-CG2 3.85Å; W443-V448 HydrophobicContact CZ3-CG2 3.6Å
444	Y	97.6	Very high	91.1	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.21	C	C	.	.	I	π-helix	trans	-63.5	-43.7	179.3	-167.4	-148	0	0	0	111.5	F400 I407 L429 G430 A440 W441 V448 G449 I455	F400-Y444 HydrophobicContact CD1-CE2 4.18Å; F400-Y444 WeakPolarHBondContact CD1-OH 3.3Å; F400-Y444 HydrophobicContact CE1-CE2 4.23Å; F400-Y444 PolarHBondContact O-OH 3.35Å; I407-Y444 HydrophobicContact CD1-CD1 3.48Å; I407-Y444 VanDerWaalsContact CD1-CD1 3.48Å; I407-Y444 HydrophobicContact CD1-CD2 4.26Å; I407-Y444 HydrophobicContact CD1-CE1 3.55Å; I407-Y444 HydrophobicContact CD1-CE2 4.34Å; I407-Y444 HydrophobicContact CD1-CG 3.86Å; I407-Y444 HydrophobicContact CG1-CD1 4.37Å; I407-Y444 HydrophobicContact CG1-CD2 4.29Å; I407-Y444 HydrophobicContact CG1-CE1 4.41Å; I407-Y444 HydrophobicContact CG1-CE2 4.36Å; I407-Y444 HydrophobicContact CG1-CG 4.32Å; I407-Y444 HydrophobicContact CG2-CD2 4.49Å; I407-Y444 HydrophobicContact CG2-CG 4.27Å; L429-Y444 HydrophobicContact CB-CD1 4.35Å; L429-Y444 HydrophobicContact CB-CE1 3.71Å; L429-Y444 HydrophobicContact CB-CE2 4.48Å; L429-Y444 HydrophobicContact CD1-CD1 4.25Å; L429-Y444 HydrophobicContact CD1-CD2 3.97Å; L429-Y444 HydrophobicContact CD1-CE1 4.21Å; L429-Y444 HydrophobicContact CD1-CE2 3.9Å; L429-Y444 HydrophobicContact CD1-CG 4.14Å; L429-Y444 WeakPolarHBondContact CD1-O 3.4Å; L429-Y444 HydrophobicContact CD2-CE2 4.02Å; L429-Y444 HydrophobicContact CG-CE1 4.41Å; L429-Y444 HydrophobicContact CG-CE2 4.36Å; G430-Y444 PolarHBondContact O-OH 2.94Å; A440-Y444 VanDerWaalsContact O-CB 3.3Å; A440-Y444 WeakPolarHBondContact O-CB 3.35Å; A440-Y444 PolarHBondContact O-N 2.94Å; W441-Y444 PolarHBondContact O-N 3.02Å; Y444-V448 HydrophobicContact CD2-CB 3.7Å; Y444-V448 HydrophobicContact CD2-CG1 4.09Å; Y444-V448 HydrophobicContact CD2-CG2 3.74Å; Y444-V448 HydrophobicContact CE2-CB 4.04Å; Y444-V448 HydrophobicContact CE2-CG1 3.88Å; Y444-V448 HydrophobicContact CE2-CG2 4.22Å; Y444-V448 WeakPolarHBondContact O-CB 3.42Å; Y444-V448 PolarHBondContact O-N 2.9Å; Y444-G449 PolarHBondContact O-N 3.45Å; Y444-I455 HydrophobicContact CD1-CD1 3.74Å; Y444-I455 HydrophobicContact CD1-CG1 4.11Å; Y444-I455 HydrophobicContact CD1-CG2 4.33Å; Y444-I455 HydrophobicContact CG-CD1 4.18Å
445	H	97.6	Very high	92.1	Very high	19 Å²	19	39.5 Å²	39.5	9%	0.088	20%	0.198	C	C	.	.	I	π-helix	trans	-65.3	-47.9	176.4	179.1	-115.7	0	0	0	111.6	F12 W441 Q442 W443 G449 E450 K451 C453 I455	F12-H445 AromaticContact CD1-CE1 3.56Å; F12-H445 AromaticContact CD1-ND1 3.9Å; F12-H445 AromaticContact CE1-CE1 3.87Å; F12-H445 AromaticContact CE1-ND1 3.86Å; W441-H445 HydrophobicContact CE3-CB 4.15Å; W441-H445 HydrophobicContact CH2-CB 4.2Å; W441-H445 HydrophobicContact CZ3-CB 3.82Å; W441-H445 AromaticContact CZ3-CG 3.96Å; W441-H445 WeakPolarHBondContact O-CB 3.19Å; W441-H445 PolarHBondContact O-N 3.04Å; Q442-H445 PolarHBondContact O-N 3.37Å; W443-H445 PolarHBondContact O-N 3.12Å; H445-G449 CarbonylContact O-C 3.6Å; H445-E450 PolarHBondContact O-N 2.96Å; H445-K451 PolarHBondContact O-N 2.86Å; H445-C453 PolarHBondContact CD2-O 2.92Å; H445-I455 HydrophobicContact CB-CD1 3.65Å; H445-I455 HydrophobicContact CB-CG1 4.49Å
446	G	97.2	Very high	93	Very high	28 Å²	28	36.6 Å²	36.6	29%	0.289	18%	0.18	S	C	.	.	I	π-helix	trans	-79.1	-41.2	-171.8	0	0	0	0	0	114.7	Q442 W443 E450	Q442-G446 PolarHBondContact O-N 3.26Å; W443-G446 PolarHBondContact O-N 3.22Å; G446-E450 WeakPolarHBondContact O-CA 3.22Å
447	V	97.5	Very high	93.8	Very high	24 Å²	24	36.9 Å²	36.9	15%	0.145	18%	0.181	C	C	.	.	I	π-helix	trans	-95.3	-50.1	-173.3	-178.5	0	0	0	0	111.4	V418 R423 W443	V418-V447 HydrophobicContact CB-CG1 4.03Å; V418-V447 HydrophobicContact CG1-CG1 3.98Å; V418-V447 HydrophobicContact CG2-CG1 4.26Å; R423-V447 PolarHBondContact NH2-O 2.88Å; R423-V447 VanDerWaalsContact NH2-O 3.1Å; W443-V447 HydrophobicContact CD2-CB 4.3Å; W443-V447 HydrophobicContact CD2-CG2 4.45Å; W443-V447 HydrophobicContact CG-CB 4.46Å; W443-V447 HydrophobicContact CG-CG2 4.13Å; W443-V447 HydrophobicContact CZ2-CB 4.46Å; W443-V447 HydrophobicContact CZ2-CG1 4.15Å; W443-V447 WeakPolarHBondContact O-CA 3.43Å; W443-V447 VanDerWaalsContact O-CB 3.27Å; W443-V447 WeakPolarHBondContact O-CB 3.23Å; W443-V447 PolarHBondContact O-N 3.35Å
448	V	97.9	Very high	94.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-77.4	-51.7	-178.1	-179.3	0	0	0	0	110.5	W389 V418 R423 L426 L429 W443 Y444	W389-V448 HydrophobicContact CE3-CG1 4.35Å; W389-V448 HydrophobicContact CH2-CB 4.22Å; W389-V448 HydrophobicContact CH2-CG1 3.55Å; W389-V448 HydrophobicContact CH2-CG2 3.55Å; W389-V448 HydrophobicContact CZ2-CG1 4.47Å; W389-V448 HydrophobicContact CZ2-CG2 3.82Å; W389-V448 HydrophobicContact CZ3-CG1 3.48Å; W389-V448 VanDerWaalsContact CZ3-CG1 3.48Å; W389-V448 HydrophobicContact CZ3-CG2 4.32Å; V418-V448 HydrophobicContact CG1-CG2 4.12Å; R423-V448 PolarHBondContact NE-O 3Å; R423-V448 VanDerWaalsContact NE-O 3.12Å; L426-V448 HydrophobicContact CD1-CG1 4.14Å; L429-V448 HydrophobicContact CD1-CB 4.44Å; L429-V448 HydrophobicContact CD1-CG1 4.38Å; L429-V448 HydrophobicContact CD2-CG1 4.19Å; W443-V448 HydrophobicContact CE3-CG2 4.28Å; W443-V448 HydrophobicContact CH2-CG2 3.85Å; W443-V448 HydrophobicContact CZ3-CG2 3.6Å; Y444-V448 HydrophobicContact CD2-CB 3.7Å; Y444-V448 HydrophobicContact CD2-CG1 4.09Å; Y444-V448 HydrophobicContact CD2-CG2 3.74Å; Y444-V448 HydrophobicContact CE2-CB 4.04Å; Y444-V448 HydrophobicContact CE2-CG1 3.88Å; Y444-V448 HydrophobicContact CE2-CG2 4.22Å; Y444-V448 WeakPolarHBondContact O-CB 3.42Å; Y444-V448 PolarHBondContact O-N 2.9Å
449	G	96.8	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-84.4	-6.2	-177.6	0	0	0	0	0	115.3	Y444 H445 K451 R452 C453	Y444-G449 PolarHBondContact O-N 3.45Å; H445-G449 CarbonylContact O-C 3.6Å; G449-K451 PolarHBondContact O-N 2.98Å; G449-K451 VanDerWaalsContact O-N 3.12Å; G449-R452 WeakPolarHBondContact O-CB 3.14Å; G449-R452 PolarHBondContact O-N 3.19Å; G449-C453 PolarHBondContact O-N 3.49Å
450	E	96.1	Very high	96.2	Very high	81 Å²	81	29.5 Å²	29.5	38%	0.379	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	32.4	-178.4	-60.1	177.5	155.5	0	0	113.8	R423 H445 G446 R452	R423-E450 IonicContact NH2-OE1 3.23Å; H445-E450 PolarHBondContact O-N 2.96Å; G446-E450 WeakPolarHBondContact O-CA 3.22Å; E450-R452 HydrophobicContact CB-CG 4.48Å; E450-R452 PolarHBondContact O-N 3.38Å; E450-R452 VanDerWaalsContact O-N 3.12Å; E450-R452 IonicContact OE2-CZ 2.8Å; E450-R452 IonicContact OE2-NE 2.71Å; E450-R452 PolarHBondContact OE2-NE 2.9Å; E450-R452 VanDerWaalsContact OE2-NE 3.13Å; E450-R452 IonicContact OE2-NH2 2.77Å; E450-R452 PolarHBondContact OE2-NH2 2.98Å
451	K	95.4	Very high	96.8	Very high	161 Å²	161	30.4 Å²	30.4	70%	0.7	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	13	-173.5	-49	177.2	-179.5	179.4	0	114.6	H445 G449	H445-K451 PolarHBondContact O-N 2.86Å; G449-K451 PolarHBondContact O-N 2.98Å; G449-K451 VanDerWaalsContact O-N 3.12Å
452	R	94.8	Very high	96.7	Very high	89 Å²	89	31.2 Å²	31.2	34%	0.336	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-33	178.4	-60.9	-178.1	-69.6	94.7	-0.1	112.4	R423 L426 G449 E450	R423-R452 PolarHBondContact O-NH2 2.7Å; L426-R452 PolarHBondContact O-NH1 3.21Å; L426-R452 VanDerWaalsContact O-NH1 3.16Å; G449-R452 WeakPolarHBondContact O-CB 3.14Å; G449-R452 PolarHBondContact O-N 3.19Å; E450-R452 HydrophobicContact CB-CG 4.48Å; E450-R452 PolarHBondContact O-N 3.38Å; E450-R452 VanDerWaalsContact O-N 3.12Å; E450-R452 IonicContact OE2-CZ 2.8Å; E450-R452 IonicContact OE2-NE 2.71Å; E450-R452 PolarHBondContact OE2-NE 2.9Å; E450-R452 VanDerWaalsContact OE2-NE 3.13Å; E450-R452 IonicContact OE2-NH2 2.77Å; E450-R452 PolarHBondContact OE2-NH2 2.98Å
453	C	96.5	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-97.2	121.2	-171.9	-53.3	0	0	0	0	110.5	L426 L429 H445 G449	L426-C453 VanDerWaalsContact C-SG 3.56Å; L426-C453 PolarHBondContact O-SG 3.16Å; L429-C453 HydrophobicContact CD1-CB 4.08Å; L429-C453 HydrophobicContact CG-CB 3.74Å; H445-C453 PolarHBondContact CD2-O 2.92Å; G449-C453 PolarHBondContact O-N 3.49Å
454	P	96.6	Very high	97	Very high	10 Å²	10	25.1 Å²	25.1	7%	0.065	12%	0.122	C	C	.	.			trans	-61.1	151.3	165.7	27.5	-35.4	0	0	0	110.7	C14 L18 K427 V428 L429 P473	C14-P454 HydrophobicContact CB-CB 4.46Å; C14-P454 HydrophobicContact CB-CG 4.36Å; L18-P454 HydrophobicContact CD2-CG 3.5Å; K427-P454 WeakPolarHBondContact O-CD 3.16Å; V428-P454 HydrophobicContact CG2-CG 4.45Å; L429-P454 PolarHBondContact N-O 2.94Å; P454-P473 HydrophobicContact CB-CB 4.18Å; P454-P473 HydrophobicContact CG-CB 3.63Å
455	I	98.3	Very high	97	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.5	174.7	-63.1	172.5	0	0	0	109.2	L429 T431 W441 Y444 H445	L429-I455 HydrophobicContact CB-CG1 3.98Å; L429-I455 HydrophobicContact CD1-CG1 4.26Å; L429-I455 CarbonylContact O-C 3.53Å; L429-I455 VanDerWaalsContact O-CA 3.25Å; L429-I455 WeakPolarHBondContact O-CA 3.46Å; T431-I455 HydrophobicContact CG2-CG2 4.15Å; W441-I455 HydrophobicContact CD2-CD1 3.85Å; W441-I455 HydrophobicContact CE3-CD1 4.41Å; W441-I455 HydrophobicContact CG-CD1 4.12Å; W441-I455 HydrophobicContact CZ2-CB 4.01Å; W441-I455 HydrophobicContact CZ2-CD1 4.04Å; W441-I455 HydrophobicContact CZ2-CG1 4.35Å; W441-I455 WeakPolarHBondContact O-CD1 3.47Å; Y444-I455 HydrophobicContact CD1-CD1 3.74Å; Y444-I455 HydrophobicContact CD1-CG1 4.11Å; Y444-I455 HydrophobicContact CD1-CG2 4.33Å; Y444-I455 HydrophobicContact CG-CD1 4.18Å; H445-I455 HydrophobicContact CB-CD1 3.65Å; H445-I455 HydrophobicContact CB-CG1 4.49Å
456	V	98.5	Very high	97.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	100.6	169.1	-57.3	0	0	0	0	111.2	V338 F339 V428 L429 G430 T431 T458 P471 P473	V338-V456 HydrophobicContact CG1-CB 4Å; V338-V456 HydrophobicContact CG1-CG1 4.34Å; V338-V456 HydrophobicContact CG1-CG2 3.95Å; V338-V456 WeakPolarHBondContact O-CG1 3.46Å; F339-V456 HydrophobicContact CD1-CG2 4.16Å; F339-V456 HydrophobicContact CE1-CG2 3.87Å; V428-V456 HydrophobicContact CG1-CG1 4.13Å; V428-V456 HydrophobicContact CG1-CG2 4.21Å; L429-V456 PolarHBondContact O-N 2.86Å; G430-V456 CarbonylContact C-O 3.56Å; G430-V456 VanDerWaalsContact CA-O 3.3Å; G430-V456 WeakPolarHBondContact CA-O 3.34Å; T431-V456 PolarHBondContact N-O 2.87Å; V456-T458 HydrophobicContact CG2-CG2 4.34Å; V456-P471 HydrophobicContact CB-CG 4.04Å; V456-P471 HydrophobicContact CG1-CG 4.09Å; V456-P473 HydrophobicContact CG1-CB 4.13Å; V456-P473 HydrophobicContact CG1-CG 4.49Å
457	D	97.8	Very high	97.1	Very high	12 Å²	12	22.9 Å²	22.9	6%	0.064	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115.3	170.7	-171.2	4.5	0	0	0	109.4	T431 I436 T470 P471	T431-D457 HydrophobicContact CG2-CB 3.89Å; I436-D457 WeakPolarHBondContact CG2-OD2 3.28Å; D457-T470 WeakPolarHBondContact O-CA 3.39Å; D457-T470 PolarHBondContact O-OG1 3.01Å; D457-T470 VanDerWaalsContact O-OG1 3.11Å; D457-P471 WeakPolarHBondContact O-CD 3.44Å
458	T	98.3	Very high	97.2	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	104.1	-168.8	59.4	0	0	0	0	110.2	V338 Y401 T431 V432 V456 H467 T470	V338-T458 HydrophobicContact CG1-CG2 4Å; Y401-T458 HydrophobicContact CE2-CG2 4.2Å; Y401-T458 WeakPolarHBondContact CE2-OG1 3.46Å; Y401-T458 PolarHBondContact OH-OG1 3.47Å; T431-T458 PolarHBondContact O-N 2.99Å; T431-T458 PolarHBondContact O-OG1 3.14Å; V432-T458 WeakPolarHBondContact CB-OG1 3.3Å; V456-T458 HydrophobicContact CG2-CG2 4.34Å; T458-H467 VanDerWaalsContact CB-CD2 3.47Å; T458-H467 WeakPolarHBondContact CB-CD2 3.28Å; T458-T470 VanDerWaalsContact CG2-OG1 3.26Å; T458-T470 WeakPolarHBondContact CG2-OG1 3.46Å
459	F	97.9	Very high	97.2	Very high	22 Å²	22	21.8 Å²	21.8	10%	0.096	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-90.4	126.9	169.4	172.9	-100.7	0	0	0	110.7	Q461 V468 L469 A483 L510 D546 I558	F459-Q461 HydrophobicContact CZ-CG 4.48Å; F459-V468 HydrophobicContact CD1-CG2 3.8Å; F459-V468 HydrophobicContact CE1-CG2 4.02Å; F459-V468 WeakPolarHBondContact O-CG2 3.45Å; F459-V468 PolarHBondContact O-N 2.9Å; F459-V468 VanDerWaalsContact O-N 3.1Å; F459-L469 HydrophobicContact CB-CB 4.24Å; F459-L469 HydrophobicContact CD1-CB 4.23Å; F459-L469 HydrophobicContact CD1-CD1 3.84Å; F459-L469 HydrophobicContact CD1-CG 4.03Å; F459-L469 HydrophobicContact CE1-CD1 4.4Å; F459-L469 PolarHBondContact N-O 3.45Å; F459-L469 PolarHBondContact O-N 2.81Å; F459-A483 HydrophobicContact CB-CB 3.8Å; F459-L510 HydrophobicContact CD1-CD2 4.16Å; F459-L510 HydrophobicContact CE1-CD2 3.38Å; F459-L510 HydrophobicContact CZ-CD2 3.79Å; F459-D546 HydrophobicContact CE2-CB 4.28Å; F459-D546 HydrophobicContact CZ-CB 4.06Å; F459-I558 HydrophobicContact CB-CD1 4.29Å; F459-I558 HydrophobicContact CB-CG1 3.87Å; F459-I558 HydrophobicContact CD1-CD1 3.78Å; F459-I558 HydrophobicContact CD1-CG1 4.24Å; F459-I558 HydrophobicContact CD2-CB 4.25Å; F459-I558 HydrophobicContact CD2-CD1 3.77Å; F459-I558 HydrophobicContact CD2-CG1 3.5Å; F459-I558 VanDerWaalsContact CD2-CG1 3.5Å; F459-I558 HydrophobicContact CD2-CG2 3.93Å; F459-I558 HydrophobicContact CE1-CD1 4Å; F459-I558 HydrophobicContact CE2-CD1 3.96Å; F459-I558 HydrophobicContact CE2-CG1 4.06Å; F459-I558 HydrophobicContact CE2-CG2 3.84Å; F459-I558 HydrophobicContact CG-CD1 3.65Å; F459-I558 HydrophobicContact CG-CG1 3.58Å; F459-I558 HydrophobicContact CZ-CD1 4.07Å
460	W	97.6	Very high	97.3	Very high	20 Å²	20	21.9 Å²	21.9	8%	0.076	10%	0.098	C	C	.	.			trans	-174.2	174.2	176.9	63.3	-55.9	0	0	0	110.9	I356 T357 Y361 Y401 V432 T464 G465 G466 H467 V468	I356-W460 HydrophobicContact CB-CH2 4.31Å; I356-W460 HydrophobicContact CB-CZ3 4.35Å; I356-W460 HydrophobicContact CG1-CH2 3.93Å; I356-W460 HydrophobicContact CG1-CZ3 3.6Å; I356-W460 HydrophobicContact CG2-CH2 3.8Å; I356-W460 HydrophobicContact CG2-CZ2 4.33Å; I356-W460 HydrophobicContact CG2-CZ3 3.94Å; T357-W460 HydrophobicContact CG2-CZ2 4.15Å; T357-W460 WeakPolarHBondContact OG1-CZ2 3.31Å; Y361-W460 AromaticContact CD2-CH2 3.47Å; Y361-W460 HydrophobicContact CD2-CH2 3.47Å; Y361-W460 VanDerWaalsContact CD2-CH2 3.47Å; Y361-W460 AromaticContact CD2-CZ2 3.38Å; Y361-W460 HydrophobicContact CD2-CZ2 3.38Å; Y361-W460 HydrophobicContact CD2-CZ3 4.39Å; Y361-W460 HydrophobicContact CE2-CD2 4.19Å; Y361-W460 AromaticContact CE2-CE2 3.66Å; Y361-W460 HydrophobicContact CE2-CE3 4.21Å; Y361-W460 AromaticContact CE2-CH2 3.22Å; Y361-W460 HydrophobicContact CE2-CH2 3.22Å; Y361-W460 AromaticContact CE2-CZ2 3.21Å; Y361-W460 HydrophobicContact CE2-CZ2 3.21Å; Y361-W460 AromaticContact CE2-CZ3 3.74Å; Y361-W460 HydrophobicContact CE2-CZ3 3.74Å; Y401-W460 PolarHBondContact OH-NE1 2.92Å; V432-W460 HydrophobicContact CG2-CZ2 4.29Å; W460-T464 WeakPolarHBondContact CB-OG1 3.1Å; W460-G465 WeakPolarHBondContact CZ3-O 3.4Å; W460-G466 WeakPolarHBondContact CB-O 3.37Å; W460-G466 VanDerWaalsContact CE3-C 3.45Å; W460-G466 VanDerWaalsContact CE3-CA 3.42Å; W460-H467 AromaticContact CD1-CD2 3.6Å; W460-H467 AromaticContact CE2-CD2 3.86Å; W460-H467 AromaticContact CG-CD2 3.93Å; W460-H467 AromaticContact NE1-CD2 3.5Å; W460-H467 PolarHBondContact NE1-CD2 3.14Å; W460-H467 AromaticContact NE1-NE2 3.85Å; W460-V468 HydrophobicContact CB-CG2 4.15Å
461	Q	94.9	Very high	97.4	Very high	19 Å²	19	18 Å²	18	9%	0.089	8%	0.08	C	C	.	.			trans	-136.5	166.6	-175.5	-46.7	174.4	-61.2	0	0	111	F459 E463 T464 Y542 T544 D546	F459-Q461 HydrophobicContact CZ-CG 4.48Å; Q461-E463 WeakPolarHBondContact CB-OE2 3.36Å; Q461-E463 PolarHBondContact O-N 2.97Å; Q461-T464 HydrophobicContact CB-CG2 3.99Å; Q461-T464 HydrophobicContact CG-CG2 4.22Å; Q461-T464 PolarHBondContact N-OG1 3.17Å; Q461-T464 PolarHBondContact O-N 3.24Å; Q461-T464 PolarHBondContact O-OG1 3.3Å; Q461-Y542 PolarHBondContact OE1-OH 3.01Å; Q461-T544 PolarHBondContact NE2-O 2.83Å; Q461-D546 PolarHBondContact NE2-OD2 2.66Å
462	T	92.9	Very high	97.5	Very high	19 Å²	19	10.5 Å²	10.5	12%	0.117	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-52.6	-41.5	172	-61.1	0	0	0	0	111.6	L308 T310 V320 H322 I356 T464 G465	L308-T462 HydrophobicContact CB-CG2 4.22Å; L308-T462 HydrophobicContact CD2-CG2 3.84Å; L308-T462 HydrophobicContact CG-CG2 4.17Å; T310-T462 HydrophobicContact CG2-CG2 3.6Å; V320-T462 HydrophobicContact CB-CG2 3.91Å; V320-T462 HydrophobicContact CG1-CG2 4.02Å; V320-T462 HydrophobicContact CG2-CG2 4.02Å; H322-T462 PolarHBondContact NE2-O 3.34Å; I356-T462 HydrophobicContact CB-CG2 4.24Å; I356-T462 HydrophobicContact CD1-CG2 4.43Å; T462-T464 VanDerWaalsContact C-N 3.26Å; T462-T464 PolarHBondContact O-N 3.2Å; T462-G465 PolarHBondContact O-N 2.88Å
463	E	97.8	Very high	97.6	Very high	18 Å²	18	6.5 Å²	6.5	8%	0.084	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-64.3	-25.6	178.5	-67	86.2	165.3	0	0	114.2	K318 V320 Q461 M520 Y534 Y542	K318-E463 WeakPolarHBondContact CE-OE1 3.5Å; K318-E463 IonicContact NZ-OE1 3.98Å; K318-E463 PolarHBondContact NZ-OE1 2.84Å; V320-E463 HydrophobicContact CG1-CG 4.49Å; V320-E463 HydrophobicContact CG2-CG 4.22Å; Q461-E463 WeakPolarHBondContact CB-OE2 3.36Å; Q461-E463 PolarHBondContact O-N 2.97Å; E463-M520 HydrophobicContact CB-CE 3.73Å; E463-M520 HydrophobicContact CB-CG 4.1Å; E463-M520 HydrophobicContact CB-SD 3.71Å; E463-M520 HydrophobicContact CG-CE 3.55Å; E463-M520 HydrophobicContact CG-CG 4.47Å; E463-M520 HydrophobicContact CG-SD 3.44Å; E463-M520 WeakPolarHBondContact CG-SD 3.47Å; E463-M520 WeakPolarHBondContact O-CB 3.33Å; E463-M520 WeakPolarHBondContact O-CG 3.42Å; E463-M520 PolarHBondContact O-N 3.19Å; E463-Y534 HydrophobicContact CG-CE1 3.73Å; E463-Y534 WeakPolarHBondContact CG-OH 3.18Å; E463-Y534 PolarHBondContact OE1-OH 2.94Å; E463-Y542 WeakPolarHBondContact CB-OH 3.23Å
464	T	98.6	Very high	97.5	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-89.7	-13.9	-174.6	64.5	0	0	0	0	113.8	W460 Q461 T462 G466 V468 W516 G518	W460-T464 WeakPolarHBondContact CB-OG1 3.1Å; Q461-T464 HydrophobicContact CB-CG2 3.99Å; Q461-T464 HydrophobicContact CG-CG2 4.22Å; Q461-T464 PolarHBondContact N-OG1 3.17Å; Q461-T464 PolarHBondContact O-N 3.24Å; Q461-T464 PolarHBondContact O-OG1 3.3Å; T462-T464 VanDerWaalsContact C-N 3.26Å; T462-T464 PolarHBondContact O-N 3.2Å; T464-G466 PolarHBondContact O-N 3.1Å; T464-G466 PolarHBondContact OG1-O 3.3Å; T464-V468 HydrophobicContact CG2-CG1 4Å; T464-V468 HydrophobicContact CG2-CG2 4.36Å; T464-W516 HydrophobicContact CG2-CH2 4.38Å; T464-W516 HydrophobicContact CG2-CZ2 3.75Å; T464-W516 PolarHBondContact O-NE1 2.74Å; T464-G518 CarbonylContact C-O 3.53Å; T464-G518 CarbonylContact O-C 3.37Å
465	G	98.4	Very high	97.5	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.01	3%	0.034	C	C	.	.	S	Bend	trans	70	-30	179.1	0	0	0	0	0	115.9	H322 S360 W460 T462 G518	H322-G465 VanDerWaalsContact CE1-CA 3.49Å; H322-G465 WeakPolarHBondContact CE1-CA 3.42Å; S360-G465 PolarHBondContact OG-O 3.05Å; W460-G465 WeakPolarHBondContact CZ3-O 3.4Å; T462-G465 PolarHBondContact O-N 2.88Å; G465-G518 WeakPolarHBondContact CA-O 3.29Å; G465-G518 PolarHBondContact N-O 3.07Å
466	G	98.5	Very high	97.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-155.9	-175	176.9	0	0	0	0	0	112.5	Y361 W460 T464 V468	Y361-G466 WeakPolarHBondContact OH-CA 3.34Å; W460-G466 WeakPolarHBondContact CB-O 3.37Å; W460-G466 VanDerWaalsContact CE3-C 3.45Å; W460-G466 VanDerWaalsContact CE3-CA 3.42Å; T464-G466 PolarHBondContact O-N 3.1Å; T464-G466 PolarHBondContact OG1-O 3.3Å; G466-V468 PolarHBondContact O-N 2.97Å
467	H	98.8	Very high	97.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.			trans	-61.6	133.7	-175.1	-57.3	144.7	0	0	0	111.1	Y330 T334 V338 F339 Y361 Y401 T458 W460 T470	Y330-H467 PolarHBondContact OH-O 2.79Å; T334-H467 HydrophobicContact CG2-CB 4.25Å; V338-H467 HydrophobicContact CG2-CB 4.43Å; F339-H467 AromaticContact CE2-CE1 3.81Å; Y361-H467 AromaticContact CD2-NE2 3.72Å; Y361-H467 AromaticContact CE1-CE1 3.65Å; Y361-H467 AromaticContact CE1-NE2 3.99Å; Y361-H467 AromaticContact CE2-CD2 3.5Å; Y361-H467 AromaticContact CE2-CE1 3.6Å; Y361-H467 AromaticContact CE2-NE2 3.05Å; Y361-H467 WeakPolarHBondContact CE2-NE2 3.48Å; Y361-H467 AromaticContact CZ-CD2 3.57Å; Y361-H467 AromaticContact CZ-CE1 3.28Å; Y361-H467 AromaticContact CZ-CG 3.82Å; Y361-H467 AromaticContact CZ-ND1 3.63Å; Y361-H467 AromaticContact CZ-NE2 3.22Å; Y361-H467 PolarHBondContact OH-CD2 2.91Å; Y361-H467 PolarHBondContact OH-CE1 2.57Å; Y361-H467 PolarHBondContact OH-N 2.79Å; Y361-H467 PolarHBondContact OH-ND1 3.32Å; Y361-H467 PolarHBondContact OH-NE2 2.92Å; Y401-H467 AromaticContact CZ-NE2 3.84Å; Y401-H467 PolarHBondContact OH-NE2 3.31Å; T458-H467 VanDerWaalsContact CB-CD2 3.47Å; T458-H467 WeakPolarHBondContact CB-CD2 3.28Å; W460-H467 AromaticContact CD1-CD2 3.6Å; W460-H467 AromaticContact CE2-CD2 3.86Å; W460-H467 AromaticContact CG-CD2 3.93Å; W460-H467 AromaticContact NE1-CD2 3.5Å; W460-H467 PolarHBondContact NE1-CD2 3.14Å; W460-H467 AromaticContact NE1-NE2 3.85Å; H467-T470 HydrophobicContact CB-CG2 3.89Å
468	V	98.6	Very high	97.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-118.2	-35.2	-179.1	-68.3	0	0	0	0	113.4	F459 W460 T464 G466 P486 F487 V490 F512 W516	F459-V468 HydrophobicContact CD1-CG2 3.8Å; F459-V468 HydrophobicContact CE1-CG2 4.02Å; F459-V468 WeakPolarHBondContact O-CG2 3.45Å; F459-V468 PolarHBondContact O-N 2.9Å; F459-V468 VanDerWaalsContact O-N 3.1Å; W460-V468 HydrophobicContact CB-CG2 4.15Å; T464-V468 HydrophobicContact CG2-CG1 4Å; T464-V468 HydrophobicContact CG2-CG2 4.36Å; G466-V468 PolarHBondContact O-N 2.97Å; V468-P486 WeakPolarHBondContact O-CA 3.35Å; V468-F487 PolarHBondContact O-N 3.15Å; V468-V490 HydrophobicContact CB-CG1 4.18Å; V468-V490 HydrophobicContact CB-CG2 4.14Å; V468-V490 HydrophobicContact CG1-CG2 4.02Å; V468-F512 HydrophobicContact CB-CE2 4.47Å; V468-F512 HydrophobicContact CB-CZ 3.96Å; V468-F512 HydrophobicContact CG2-CE2 4.2Å; V468-F512 HydrophobicContact CG2-CZ 3.69Å; V468-W516 HydrophobicContact CG1-CD2 4.5Å; V468-W516 HydrophobicContact CG1-CZ2 3.91Å
469	L	98.6	Very high	97.1	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-126.8	120	167.1	-52.5	174.3	0	0	0	107.6	F459 A483 F485 P486 P492 L510 Y556 I558	F459-L469 HydrophobicContact CB-CB 4.24Å; F459-L469 HydrophobicContact CD1-CB 4.23Å; F459-L469 HydrophobicContact CD1-CD1 3.84Å; F459-L469 HydrophobicContact CD1-CG 4.03Å; F459-L469 HydrophobicContact CE1-CD1 4.4Å; F459-L469 PolarHBondContact N-O 3.45Å; F459-L469 PolarHBondContact O-N 2.81Å; L469-A483 CarbonylContact C-O 3.52Å; L469-A483 HydrophobicContact CB-CB 3.92Å; L469-F485 WeakPolarHBondContact CA-O 3.42Å; L469-P486 HydrophobicContact CD2-CB 3.79Å; L469-P492 HydrophobicContact CD2-CB 4.14Å; L469-P492 HydrophobicContact CD2-CG 3.95Å; L469-L510 HydrophobicContact CD1-CD1 4.4Å; L469-L510 HydrophobicContact CD1-CD2 3.94Å; L469-Y556 HydrophobicContact CD1-CD1 4.2Å; L469-Y556 HydrophobicContact CD1-CG 4.1Å; L469-I558 HydrophobicContact CD1-CD1 4.04Å
470	T	98.6	Very high	97	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.012	4%	0.041	C	C	.	.			trans	-167.5	148.8	-176.9	-166.8	0	0	0	0	111.6	V338 D457 T458 H467 A483 T484 F485 F487	V338-T470 HydrophobicContact CB-CG2 4.42Å; V338-T470 HydrophobicContact CG1-CG2 3.96Å; V338-T470 HydrophobicContact CG2-CG2 3.52Å; D457-T470 WeakPolarHBondContact O-CA 3.39Å; D457-T470 PolarHBondContact O-OG1 3.01Å; D457-T470 VanDerWaalsContact O-OG1 3.11Å; T458-T470 VanDerWaalsContact CG2-OG1 3.26Å; T458-T470 WeakPolarHBondContact CG2-OG1 3.46Å; H467-T470 HydrophobicContact CB-CG2 3.89Å; T470-A483 CarbonylContact C-O 3.6Å; T470-A483 WeakPolarHBondContact CA-O 3.46Å; T470-A483 PolarHBondContact N-O 3.33Å; T470-T484 VanDerWaalsContact C-OG1 3.23Å; T470-T484 PolarHBondContact O-OG1 3.29Å; T470-F485 PolarHBondContact N-O 3.27Å; T470-F487 HydrophobicContact CG2-CD2 4.26Å
471	P	98	Very high	96.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.043	C	C	.	.			trans	-73.3	151.3	171.7	31.1	-36.2	0	0	0	111.3	V456 D457 T476 T478 T484	V456-P471 HydrophobicContact CB-CG 4.04Å; V456-P471 HydrophobicContact CG1-CG 4.09Å; D457-P471 WeakPolarHBondContact O-CD 3.44Å; P471-T476 WeakPolarHBondContact CA-OG1 3.32Å; P471-T476 WeakPolarHBondContact CB-OG1 3.38Å; P471-T478 HydrophobicContact CB-CG2 3.74Å; P471-T478 HydrophobicContact CG-CG2 3.9Å; P471-T484 WeakPolarHBondContact CA-OG1 3.33Å; P471-T484 HydrophobicContact CB-CG2 3.82Å; P471-T484 WeakPolarHBondContact CB-OG1 3.37Å; P471-T484 WeakPolarHBondContact CD-OG1 3.1Å; P471-T484 HydrophobicContact CG-CG2 4.19Å
472	L	98.1	Very high	96.5	Very high	3 Å²	3	6.2 Å²	6.2	2%	0.016	4%	0.039	C	C	.	.			trans	-99.6	122.4	164.1	-59.9	-176.4	0	0	0	107.9	I24 Y30 L337 V338 A474 A475 T476 F487 F488	I24-L472 HydrophobicContact CB-CD1 4.23Å; I24-L472 HydrophobicContact CG1-CD1 4.02Å; I24-L472 HydrophobicContact CG2-CD1 4.19Å; Y30-L472 HydrophobicContact CD2-CD1 3.62Å; Y30-L472 HydrophobicContact CD2-CG 4.44Å; Y30-L472 HydrophobicContact CE2-CD1 4.37Å; Y30-L472 HydrophobicContact CG-CD1 4.4Å; L337-L472 HydrophobicContact CB-CD2 4.37Å; V338-L472 HydrophobicContact CG2-CD2 4.02Å; L472-A474 VanDerWaalsContact C-N 3.27Å; L472-A474 PolarHBondContact O-N 2.94Å; L472-A475 HydrophobicContact CB-CB 4.07Å; L472-A475 PolarHBondContact O-N 2.96Å; L472-T476 PolarHBondContact N-OG1 2.8Å; L472-T476 PolarHBondContact O-N 3.39Å; L472-T476 PolarHBondContact O-OG1 3.28Å; L472-T476 VanDerWaalsContact O-OG1 3.11Å; L472-F487 HydrophobicContact CD2-CD2 4.32Å; L472-F487 HydrophobicContact CD2-CE2 4.09Å; L472-F488 HydrophobicContact CD1-CE2 4.49Å; L472-F488 HydrophobicContact CD1-CZ 4Å
473	P	95.9	Very high	96.7	Very high	6 Å²	6	5.4 Å²	5.4	4%	0.039	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.5	-155.4	22.8	-34.8	0	0	0	114.1	C14 L18 V338 D340 V428 P454 V456	C14-P473 VanDerWaalsContact CB-O 3.23Å; C14-P473 WeakPolarHBondContact CB-O 3.07Å; L18-P473 HydrophobicContact CD2-CB 4.1Å; V338-P473 WeakPolarHBondContact O-CD 3.44Å; D340-P473 HydrophobicContact CB-CG 3.67Å; V428-P473 HydrophobicContact CG1-CB 4.41Å; V428-P473 HydrophobicContact CG2-CB 4.23Å; V428-P473 HydrophobicContact CG2-CG 4.35Å; P454-P473 HydrophobicContact CB-CB 4.18Å; P454-P473 HydrophobicContact CG-CB 3.63Å; V456-P473 HydrophobicContact CG1-CB 4.13Å; V456-P473 HydrophobicContact CG1-CG 4.49Å
474	A	95.3	Very high	96.6	Very high	6 Å²	6	4.5 Å²	4.5	5%	0.05	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23	175.5	0	0	0	0	0	114.5	C14 K19 S22 I24 L472	C14-A474 VanDerWaalsContact SG-CA 3.6Å; K19-A474 HydrophobicContact CG-CB 4.24Å; S22-A474 VanDerWaalsContact OG-CB 3.27Å; S22-A474 WeakPolarHBondContact OG-CB 3.41Å; I24-A474 WeakPolarHBondContact O-CB 3.45Å; L472-A474 VanDerWaalsContact C-N 3.27Å; L472-A474 PolarHBondContact O-N 2.94Å
475	A	96.3	Very high	96.6	Very high	5 Å²	5	4.5 Å²	4.5	4%	0.041	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-38.9	-167.4	0	0	0	0	0	113.7	I24 S26 F27 L472	I24-A475 HydrophobicContact CB-CB 4.36Å; I24-A475 HydrophobicContact CG2-CB 3.78Å; S26-A475 VanDerWaalsContact O-CB 3.27Å; S26-A475 WeakPolarHBondContact O-CB 3.44Å; F27-A475 VanDerWaalsContact CA-O 3.31Å; F27-A475 WeakPolarHBondContact CA-O 3.09Å; F27-A475 VanDerWaalsContact CB-O 3.3Å; F27-A475 WeakPolarHBondContact CB-O 3.11Å; F27-A475 PolarHBondContact N-O 2.83Å; L472-A475 HydrophobicContact CB-CB 4.07Å; L472-A475 PolarHBondContact O-N 2.96Å
476	T	96	Very high	96.6	Very high	5 Å²	5	4.6 Å²	4.6	3%	0.031	3%	0.031	C	C	.	.	S	Bend	trans	-110.9	114.1	-171.6	57.3	0	0	0	0	110.1	F27 Y30 P471 L472 F485	F27-T476 HydrophobicContact CD2-CG2 4.22Å; F27-T476 HydrophobicContact CE2-CG2 4.36Å; Y30-T476 HydrophobicContact CD1-CG2 3.99Å; Y30-T476 HydrophobicContact CE1-CG2 4.25Å; Y30-T476 HydrophobicContact CG-CG2 4.17Å; P471-T476 WeakPolarHBondContact CA-OG1 3.32Å; P471-T476 WeakPolarHBondContact CB-OG1 3.38Å; L472-T476 PolarHBondContact N-OG1 2.8Å; L472-T476 PolarHBondContact O-N 3.39Å; L472-T476 PolarHBondContact O-OG1 3.28Å; L472-T476 VanDerWaalsContact O-OG1 3.11Å; T476-F485 HydrophobicContact CG2-CD2 3.76Å; T476-F485 HydrophobicContact CG2-CE2 4.35Å
477	P	95.9	Very high	96.6	Very high	6 Å²	6	4.7 Å²	4.7	4%	0.039	3%	0.031	C	C	.	.			trans	-57.8	144	172.1	-20.9	32.4	0	0	0	110.4	A6 V11 F12 Y555	A6-P477 HydrophobicContact CB-CG 4.26Å; V11-P477 HydrophobicContact CB-CB 3.69Å; V11-P477 HydrophobicContact CG1-CB 4.12Å; V11-P477 HydrophobicContact CG2-CB 3.83Å; F12-P477 CarbonylContact O-C 3.58Å; F12-P477 WeakPolarHBondContact O-CA 3.23Å; P477-Y555 WeakPolarHBondContact O-CE1 3.37Å; P477-Y555 VanDerWaalsContact O-CZ 3.29Å; P477-Y555 PolarHBondContact O-OH 3.07Å
478	T	96.8	Very high	96.6	Very high	8 Å²	8	4.8 Å²	4.8	5%	0.049	3%	0.032	C	C	.	.	B	Isolated β-bridge	trans	-106.1	142.8	-174	54.1	0	0	0	0	112	F12 W441 P471 T484	F12-T478 PolarHBondContact N-O 3.43Å; F12-T478 PolarHBondContact O-N 3.41Å; W441-T478 WeakPolarHBondContact CZ2-OG1 3.43Å; P471-T478 HydrophobicContact CB-CG2 3.74Å; P471-T478 HydrophobicContact CG-CG2 3.9Å; T478-T484 HydrophobicContact CG2-CG2 4.38Å
479	K	96.9	Very high	96.6	Very high	19 Å²	19	4.9 Å²	4.9	8%	0.083	3%	0.033	C	C	.	.			trans	-107.3	133	166.4	-62.7	-175.4	-176.8	-176.7	0	108.9	V11 G481 S482 D551 D553 Y555 W557	V11-K479 HydrophobicContact CG1-CG 3.87Å; K479-G481 PolarHBondContact O-N 2.7Å; K479-G481 VanDerWaalsContact O-N 3.12Å; K479-S482 PolarHBondContact O-N 3.15Å; K479-D551 IonicContact NZ-OD1 2.8Å; K479-D551 IonicContact NZ-OD2 2.69Å; K479-D551 PolarHBondContact NZ-OD2 2.92Å; K479-D553 IonicContact NZ-OD2 2.84Å; K479-D553 PolarHBondContact NZ-OD2 3.19Å; K479-Y555 HydrophobicContact CB-CD1 4.31Å; K479-Y555 HydrophobicContact CB-CE1 4.45Å; K479-Y555 HydrophobicContact CD-CD1 4.03Å; K479-Y555 HydrophobicContact CD-CD2 4.11Å; K479-Y555 HydrophobicContact CD-CE1 4.31Å; K479-Y555 HydrophobicContact CD-CE2 4.31Å; K479-Y555 HydrophobicContact CD-CG 3.97Å; K479-Y555 HydrophobicContact CG-CD1 4Å; K479-Y555 HydrophobicContact CG-CE1 3.91Å; K479-Y555 HydrophobicContact CG-CG 4.44Å; K479-W557 HydrophobicContact CB-CH2 3.89Å; K479-W557 HydrophobicContact CB-CZ2 3.74Å; K479-W557 HydrophobicContact CD-CZ2 3.97Å
480	P	94.9	Very high	96.6	Very high	18 Å²	18	4.9 Å²	4.9	12%	0.117	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	117	-177.5	-25.2	33.3	0	0	0	112.4	F12 P438 W441 Q442 W557	F12-P480 HydrophobicContact CD2-CG 4.09Å; F12-P480 HydrophobicContact CE2-CG 3.55Å; F12-P480 HydrophobicContact CZ-CG 4.37Å; P438-P480 HydrophobicContact CB-CB 4.1Å; W441-P480 HydrophobicContact CB-CB 4.14Å; W441-P480 HydrophobicContact CD2-CB 3.69Å; W441-P480 HydrophobicContact CD2-CG 4.08Å; W441-P480 HydrophobicContact CE3-CB 3.58Å; W441-P480 HydrophobicContact CE3-CG 3.55Å; W441-P480 HydrophobicContact CG-CB 3.94Å; W441-P480 HydrophobicContact CH2-CG 4.41Å; W441-P480 HydrophobicContact CZ3-CB 4.29Å; W441-P480 HydrophobicContact CZ3-CG 3.75Å; Q442-P480 HydrophobicContact CG-CG 4.5Å; P480-W557 VanDerWaalsContact O-CH2 3.24Å; P480-W557 WeakPolarHBondContact O-CH2 3.34Å; P480-W557 WeakPolarHBondContact O-CZ3 3.36Å
481	G	85.9	Confident	96.5	Very high	12 Å²	12	5.9 Å²	5.9	12%	0.124	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	2.5	-179.2	0	0	0	0	0	115.9	I436 K479 W557	I436-G481 VanDerWaalsContact O-CA 3.32Å; I436-G481 WeakPolarHBondContact O-CA 3.44Å; K479-G481 PolarHBondContact O-N 2.7Å; K479-G481 VanDerWaalsContact O-N 3.12Å; G481-W557 VanDerWaalsContact C-CZ3 3.41Å; G481-W557 VanDerWaalsContact O-CE3 3.31Å
482	S	95.6	Very high	96.5	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.014	4%	0.042	C	C	.	.			trans	-98.6	135.8	173	179.4	0	0	0	0	111.6	K479 T484 Y555 Y556	K479-S482 PolarHBondContact O-N 3.15Å; S482-T484 PolarHBondContact O-N 2.99Å; S482-T484 PolarHBondContact OG-N 2.9Å; S482-Y555 WeakPolarHBondContact OG-CD1 3.44Å; S482-Y556 PolarHBondContact OG-O 3.34Å
483	A	96.6	Very high	96.5	Very high	2 Å²	2	6.3 Å²	6.3	2%	0.017	4%	0.042	C	C	.	.			trans	-73.3	-3.2	167.7	0	0	0	0	0	112.7	F459 L469 T470 F485 Y556 I558	F459-A483 HydrophobicContact CB-CB 3.8Å; L469-A483 CarbonylContact C-O 3.52Å; L469-A483 HydrophobicContact CB-CB 3.92Å; T470-A483 CarbonylContact C-O 3.6Å; T470-A483 WeakPolarHBondContact CA-O 3.46Å; T470-A483 PolarHBondContact N-O 3.33Å; A483-F485 PolarHBondContact O-N 2.87Å; A483-Y556 PolarHBondContact N-O 2.93Å; A483-Y556 VanDerWaalsContact N-O 3.12Å; A483-I558 HydrophobicContact CB-CG1 4.46Å
484	T	97.2	Very high	96.6	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	67.5	-111.4	176.5	74.1	0	0	0	0	114.3	T470 P471 T478 S482 Y555 Y556	T470-T484 VanDerWaalsContact C-OG1 3.23Å; T470-T484 PolarHBondContact O-OG1 3.29Å; P471-T484 WeakPolarHBondContact CA-OG1 3.33Å; P471-T484 HydrophobicContact CB-CG2 3.82Å; P471-T484 WeakPolarHBondContact CB-OG1 3.37Å; P471-T484 WeakPolarHBondContact CD-OG1 3.1Å; P471-T484 HydrophobicContact CG-CG2 4.19Å; T478-T484 HydrophobicContact CG2-CG2 4.38Å; S482-T484 PolarHBondContact O-N 2.99Å; S482-T484 PolarHBondContact OG-N 2.9Å; T484-Y555 HydrophobicContact CG2-CD1 3.78Å; T484-Y555 HydrophobicContact CG2-CE1 3.61Å; T484-Y556 PolarHBondContact O-N 3.19Å
485	F	98.3	Very high	96.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-118.9	161.1	-168.8	-55.6	-72.2	0	0	0	111.3	I2 P3 F27 Y30 L469 T470 T476 A483 Y555	I2-F485 HydrophobicContact CG1-CD1 4.4Å; P3-F485 HydrophobicContact CG-CE1 4.15Å; P3-F485 HydrophobicContact CG-CZ 4.19Å; F27-F485 HydrophobicContact CE2-CD2 4.03Å; F27-F485 AromaticContact CE2-CE2 3.59Å; F27-F485 HydrophobicContact CE2-CE2 3.59Å; F27-F485 AromaticContact CE2-CZ 3.94Å; F27-F485 HydrophobicContact CE2-CZ 3.94Å; F27-F485 HydrophobicContact CZ-CE2 4.3Å; F27-F485 HydrophobicContact CZ-CZ 4.2Å; Y30-F485 HydrophobicContact CE1-CB 4.05Å; Y30-F485 HydrophobicContact CE1-CG 4.37Å; Y30-F485 WeakPolarHBondContact OH-CB 3.26Å; L469-F485 WeakPolarHBondContact CA-O 3.42Å; T470-F485 PolarHBondContact N-O 3.27Å; T476-F485 HydrophobicContact CG2-CD2 3.76Å; T476-F485 HydrophobicContact CG2-CE2 4.35Å; A483-F485 PolarHBondContact O-N 2.87Å; F485-Y555 HydrophobicContact CE1-CD2 4.16Å; F485-Y555 HydrophobicContact CE1-CE2 4.25Å; F485-Y555 HydrophobicContact CE2-CE1 4.01Å; F485-Y555 AromaticContact CE2-CE2 3.98Å; F485-Y555 HydrophobicContact CE2-CE2 3.98Å; F485-Y555 AromaticContact CE2-CZ 3.66Å; F485-Y555 AromaticContact CZ-CD2 3.77Å; F485-Y555 HydrophobicContact CZ-CD2 3.77Å; F485-Y555 HydrophobicContact CZ-CE1 4.2Å; F485-Y555 AromaticContact CZ-CE2 3.41Å; F485-Y555 HydrophobicContact CZ-CE2 3.41Å; F485-Y555 VanDerWaalsContact CZ-CE2 3.41Å; F485-Y555 HydrophobicContact CZ-CG 4.31Å; F485-Y555 AromaticContact CZ-CZ 3.61Å
486	P	98.5	Very high	96.5	Very high	3 Å²	3	7.2 Å²	7.2	2%	0.019	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-65.8	145.3	177.7	25.4	-34.9	0	0	0	113.6	I2 Y30 Y34 V468 L469 V490 P492	I2-P486 HydrophobicContact CD1-CG 4.25Å; Y30-P486 PolarHBondContact OH-O 3.41Å; Y34-P486 HydrophobicContact CD2-CG 4.3Å; Y34-P486 HydrophobicContact CE2-CB 3.81Å; Y34-P486 HydrophobicContact CE2-CG 3.47Å; Y34-P486 VanDerWaalsContact CE2-CG 3.47Å; V468-P486 WeakPolarHBondContact O-CA 3.35Å; L469-P486 HydrophobicContact CD2-CB 3.79Å; P486-V490 HydrophobicContact CB-CB 4.37Å; P486-V490 HydrophobicContact CB-CG1 4.49Å; P486-V490 WeakPolarHBondContact CB-O 3.46Å; P486-P492 HydrophobicContact CB-CG 3.85Å; P486-P492 HydrophobicContact CG-CG 3.9Å
487	F	98.7	Very high	96.2	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-72.1	166.1	168	-164.1	-104.4	0	0	0	110.8	W45 Y330 T333 T334 L337 V338 V468 T470 L472 V490	W45-F487 HydrophobicContact CH2-CE1 4.44Å; Y330-F487 AromaticContact CE2-CD1 3.91Å; Y330-F487 HydrophobicContact CE2-CD1 3.91Å; Y330-F487 HydrophobicContact CE2-CE1 4.18Å; Y330-F487 AromaticContact CZ-CD1 3.97Å; T333-F487 HydrophobicContact CG2-CE1 4.27Å; T333-F487 HydrophobicContact CG2-CZ 4.07Å; T334-F487 HydrophobicContact CG2-CD1 3.69Å; T334-F487 HydrophobicContact CG2-CE1 3.38Å; T334-F487 HydrophobicContact CG2-CE2 4.42Å; T334-F487 HydrophobicContact CG2-CG 4.32Å; T334-F487 HydrophobicContact CG2-CZ 3.79Å; L337-F487 HydrophobicContact CB-CE2 4.24Å; L337-F487 HydrophobicContact CB-CZ 4.4Å; L337-F487 HydrophobicContact CD1-CZ 4.27Å; V338-F487 HydrophobicContact CG2-CD2 4Å; V338-F487 HydrophobicContact CG2-CE2 3.75Å; V468-F487 PolarHBondContact O-N 3.15Å; T470-F487 HydrophobicContact CG2-CD2 4.26Å; L472-F487 HydrophobicContact CD2-CD2 4.32Å; L472-F487 HydrophobicContact CD2-CE2 4.09Å; F487-V490 WeakPolarHBondContact O-CB 3.42Å; F487-V490 PolarHBondContact O-N 3.4Å
488	F	98.6	Very high	96	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	138.8	-178.5	-55.3	-39	0	0	0	112.2	Y30 L33 Y34 S37 F44 W45 L337 L472 V490	Y30-F488 AromaticContact CD2-CE1 3.67Å; Y30-F488 HydrophobicContact CD2-CE1 3.67Å; Y30-F488 HydrophobicContact CD2-CZ 4.12Å; Y30-F488 AromaticContact CE2-CE1 3.92Å; Y30-F488 HydrophobicContact CE2-CE1 3.92Å; L33-F488 HydrophobicContact CB-CD1 4.43Å; L33-F488 HydrophobicContact CB-CE1 3.7Å; L33-F488 HydrophobicContact CB-CE2 4.27Å; L33-F488 HydrophobicContact CB-CZ 3.61Å; L33-F488 HydrophobicContact CD1-CE2 4.43Å; L33-F488 HydrophobicContact CD1-CZ 4.09Å; Y34-F488 HydrophobicContact CD2-CD1 4.4Å; S37-F488 WeakPolarHBondContact OG-CA 3.38Å; F44-F488 HydrophobicContact CE1-CB 3.77Å; F44-F488 HydrophobicContact CE1-CD2 4.31Å; F44-F488 HydrophobicContact CE1-CG 4.28Å; F44-F488 HydrophobicContact CE2-CD2 4.45Å; F44-F488 HydrophobicContact CZ-CB 3.73Å; F44-F488 AromaticContact CZ-CD2 3.56Å; F44-F488 HydrophobicContact CZ-CD2 3.56Å; F44-F488 HydrophobicContact CZ-CE2 4.27Å; F44-F488 AromaticContact CZ-CG 3.71Å; F44-F488 HydrophobicContact CZ-CG 3.71Å; W45-F488 HydrophobicContact CZ2-CB 4.43Å; W45-F488 WeakPolarHBondContact CZ2-O 3.49Å; L337-F488 HydrophobicContact CD1-CD2 3.99Å; L337-F488 HydrophobicContact CD1-CE2 3.63Å; L472-F488 HydrophobicContact CD1-CE2 4.49Å; L472-F488 HydrophobicContact CD1-CZ 4Å; F488-V490 PolarHBondContact O-N 3.12Å
489	G	97.4	Very high	95.9	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.021	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-14	-175.4	0	0	0	0	0	115.3	S37 Q514	S37-G489 PolarHBondContact OG-N 2.78Å; G489-Q514 PolarHBondContact O-NE2 2.74Å
490	V	98.4	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.			trans	-96.1	127.1	-174.9	-178.7	0	0	0	0	111.2	Y34 Y330 V468 P486 F487 F488 P492 F512 W516	Y34-V490 WeakPolarHBondContact CE2-O 3.27Å; Y34-V490 PolarHBondContact OH-O 3.31Å; Y34-V490 VanDerWaalsContact OH-O 3.1Å; Y330-V490 WeakPolarHBondContact OH-CG2 3.4Å; V468-V490 HydrophobicContact CB-CG1 4.18Å; V468-V490 HydrophobicContact CB-CG2 4.14Å; V468-V490 HydrophobicContact CG1-CG2 4.02Å; P486-V490 HydrophobicContact CB-CB 4.37Å; P486-V490 HydrophobicContact CB-CG1 4.49Å; P486-V490 WeakPolarHBondContact CB-O 3.46Å; F487-V490 WeakPolarHBondContact O-CB 3.42Å; F487-V490 PolarHBondContact O-N 3.4Å; F488-V490 PolarHBondContact O-N 3.12Å; V490-P492 WeakPolarHBondContact O-CD 3.44Å; V490-F512 HydrophobicContact CG1-CD1 3.44Å; V490-F512 VanDerWaalsContact CG1-CD1 3.44Å; V490-F512 HydrophobicContact CG1-CE1 3.41Å; V490-F512 VanDerWaalsContact CG1-CE1 3.41Å; V490-F512 HydrophobicContact CG1-CG 4.22Å; V490-F512 HydrophobicContact CG1-CZ 4.15Å; V490-W516 HydrophobicContact CG2-CB 4.16Å; V490-W516 HydrophobicContact CG2-CD2 4.01Å; V490-W516 HydrophobicContact CG2-CE3 4.21Å; V490-W516 HydrophobicContact CG2-CG 3.98Å
491	V	98.1	Very high	96	Very high	24 Å²	24	24.9 Å²	24.9	15%	0.145	14%	0.143	C	C	.	.			trans	-117.8	92.3	179.5	-171.4	0	0	0	0	110.2	I38 F512 K513 Q514	I38-V491 HydrophobicContact CD1-CG2 3.47Å; I38-V491 VanDerWaalsContact CD1-CG2 3.47Å; I38-V491 HydrophobicContact CG1-CG2 4.03Å; I38-V491 HydrophobicContact CG2-CG2 4.01Å; V491-F512 WeakPolarHBondContact O-CA 3.35Å; V491-K513 HydrophobicContact CB-CB 4.22Å; V491-K513 HydrophobicContact CB-CG 4.46Å; V491-K513 HydrophobicContact CG1-CB 4.12Å; V491-K513 HydrophobicContact CG1-CD 3.73Å; V491-K513 HydrophobicContact CG1-CG 3.99Å; V491-K513 PolarHBondContact O-N 2.58Å; V491-Q514 HydrophobicContact CB-CG 4.1Å; V491-Q514 VanDerWaalsContact CG2-CD 3.42Å; V491-Q514 HydrophobicContact CG2-CG 3.7Å
492	P	98.2	Very high	96.5	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.071	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.3	179.1	30.4	-34.9	0	0	0	112.6	L469 P486 V490 L510 V511 F512 Y556	L469-P492 HydrophobicContact CD2-CB 4.14Å; L469-P492 HydrophobicContact CD2-CG 3.95Å; P486-P492 HydrophobicContact CB-CG 3.85Å; P486-P492 HydrophobicContact CG-CG 3.9Å; V490-P492 WeakPolarHBondContact O-CD 3.44Å; P492-L510 HydrophobicContact CB-CD1 4Å; P492-V511 WeakPolarHBondContact CA-O 3.46Å; P492-F512 HydrophobicContact CB-CD1 4.09Å; P492-F512 HydrophobicContact CB-CE1 3.99Å; P492-Y556 HydrophobicContact CB-CE1 3.83Å; P492-Y556 HydrophobicContact CG-CE1 4.11Å; P492-Y556 HydrophobicContact CG-CE2 4Å; P492-Y556 PolarHBondContact O-OH 2.91Å
493	A	98	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	159.2	167.3	0	0	0	0	0	110.5	E501 V511 K513 Y541	A493-E501 HydrophobicContact CB-CG 4.08Å; A493-V511 HydrophobicContact CB-CG2 3.81Å; A493-V511 PolarHBondContact N-O 3.3Å; A493-V511 PolarHBondContact O-N 3.03Å; A493-K513 HydrophobicContact CB-CD 4.13Å; A493-K513 HydrophobicContact CB-CG 4.01Å; A493-Y541 HydrophobicContact CB-CE1 4.25Å
494	I	97.8	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.7	173.1	-57.9	-170.6	0	0	0	106.7	L502 G508 Y509 C548 R550 Y556	I494-L502 HydrophobicContact CG2-CD1 4.17Å; I494-L502 PolarHBondContact O-N 3.36Å; I494-G508 VanDerWaalsContact CG2-N 3.34Å; I494-Y509 WeakPolarHBondContact CA-O 3.25Å; I494-C548 VanDerWaalsContact CD1-SG 3.53Å; I494-C548 VanDerWaalsContact CG1-SG 3.58Å; I494-R550 HydrophobicContact CD1-CB 3.51Å; I494-Y556 HydrophobicContact CD1-CE1 4.3Å; I494-Y556 HydrophobicContact CG1-CE1 4.22Å
495	L	97.2	Very high	96.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149	175.8	-51.9	-173.9	0	0	0	110.8	E500 E501 Y509 V511 F538 Y541	L495-E500 VanDerWaalsContact CA-O 3.29Å; L495-E500 WeakPolarHBondContact CA-O 3.33Å; L495-E501 VanDerWaalsContact CD2-CA 3.46Å; L495-E501 HydrophobicContact CD2-CB 3.69Å; L495-E501 HydrophobicContact CD2-CG 4.17Å; L495-Y509 PolarHBondContact N-O 3.2Å; L495-Y509 WeakPolarHBondContact O-CD2 3.17Å; L495-Y509 PolarHBondContact O-N 2.86Å; L495-V511 HydrophobicContact CD1-CG1 4.06Å; L495-V511 HydrophobicContact CD1-CG2 3.87Å; L495-V511 HydrophobicContact CD2-CG2 4.25Å; L495-V511 HydrophobicContact CG-CG1 4.23Å; L495-V511 HydrophobicContact CG-CG2 3.68Å; L495-F538 HydrophobicContact CB-CE2 4.39Å; L495-F538 HydrophobicContact CB-CZ 4.43Å; L495-F538 HydrophobicContact CD1-CB 3.78Å; L495-F538 HydrophobicContact CD1-CD1 4.02Å; L495-F538 HydrophobicContact CD1-CD2 3.72Å; L495-F538 HydrophobicContact CD1-CE2 4.25Å; L495-F538 HydrophobicContact CD1-CG 3.57Å; L495-Y541 HydrophobicContact CD1-CD1 4.48Å; L495-Y541 HydrophobicContact CD1-CD2 4.05Å; L495-Y541 HydrophobicContact CD1-CE2 4.22Å; L495-Y541 HydrophobicContact CD1-CG 4.2Å; L495-Y541 HydrophobicContact CD2-CE1 4.31Å
496	N	92.4	Very high	96.1	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.193	23%	0.23	C	C	.	.			trans	-80.8	-179.6	163.7	69.5	14.4	0	0	0	111.2	S498 G499 E500 L502 F538	N496-S498 PolarHBondContact O-N 2.8Å; N496-S498 WeakPolarHBondContact OD1-CA 3.47Å; N496-S498 WeakPolarHBondContact OD1-CB 3.5Å; N496-S498 PolarHBondContact OD1-N 2.82Å; N496-G499 PolarHBondContact O-N 3.42Å; N496-G499 VanDerWaalsContact O-N 3.09Å; N496-G499 PolarHBondContact OD1-N 3.03Å; N496-G499 VanDerWaalsContact OD1-N 3.11Å; N496-E500 PolarHBondContact N-O 3Å; N496-E500 PolarHBondContact ND2-OE2 3.1Å; N496-E500 PolarHBondContact OD1-N 3.47Å; N496-L502 HydrophobicContact CB-CD1 4.29Å; N496-L502 HydrophobicContact CB-CD2 4.24Å; N496-L502 HydrophobicContact CB-CG 4.42Å; N496-F538 WeakPolarHBondContact O-CZ 3.17Å
497	E	89.4	Confident	95.8	Very high	100 Å²	100	43.8 Å²	43.8	47%	0.467	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31	179.2	-164.7	64.9	-134.8	0	0	113	G499 Y509 K537	E497-G499 PolarHBondContact O-N 3.49Å; E497-Y509 VanDerWaalsContact CD-OH 3.3Å; E497-Y509 PolarHBondContact OE1-OH 2.97Å; E497-Y509 WeakPolarHBondContact OE2-CE2 3.32Å; E497-Y509 PolarHBondContact OE2-OH 2.78Å; E497-K537 WeakPolarHBondContact OE1-CE 3.16Å; E497-K537 IonicContact OE1-NZ 3.21Å; E497-K537 PolarHBondContact OE1-NZ 3.27Å; E497-K537 IonicContact OE2-NZ 3.19Å
498	S	91.4	Very high	95.4	Very high	102 Å²	102	44 Å²	44	71%	0.713	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.5	178.5	-58.6	0	0	0	0	113.4	N496	N496-S498 PolarHBondContact O-N 2.8Å; N496-S498 WeakPolarHBondContact OD1-CA 3.47Å; N496-S498 WeakPolarHBondContact OD1-CB 3.5Å; N496-S498 PolarHBondContact OD1-N 2.82Å
499	G	94.1	Very high	95.2	Very high	26 Å²	26	44.8 Å²	44.8	27%	0.268	25%	0.25	S	C	.	.			trans	83.5	12.7	-178.2	0	0	0	0	0	114.3	N496 E497 F538	N496-G499 PolarHBondContact O-N 3.42Å; N496-G499 VanDerWaalsContact O-N 3.09Å; N496-G499 PolarHBondContact OD1-N 3.03Å; N496-G499 VanDerWaalsContact OD1-N 3.11Å; E497-G499 PolarHBondContact O-N 3.49Å; G499-F538 VanDerWaalsContact CA-CE1 3.45Å
500	E	96.8	Very high	95.2	Very high	123 Å²	123	44.7 Å²	44.7	58%	0.575	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-82.3	133.3	176.4	-55.1	172.1	141.1	0	0	110.1	L495 N496	L495-E500 VanDerWaalsContact CA-O 3.29Å; L495-E500 WeakPolarHBondContact CA-O 3.33Å; N496-E500 PolarHBondContact N-O 3Å; N496-E500 PolarHBondContact ND2-OE2 3.1Å; N496-E500 PolarHBondContact OD1-N 3.47Å
501	E	97.4	Very high	95.2	Very high	77 Å²	77	44.7 Å²	44.7	36%	0.36	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-73.9	126.9	177.2	-173.7	172.6	168.3	0	0	111	A493 L495 K513 Y541	A493-E501 HydrophobicContact CB-CG 4.08Å; L495-E501 VanDerWaalsContact CD2-CA 3.46Å; L495-E501 HydrophobicContact CD2-CB 3.69Å; L495-E501 HydrophobicContact CD2-CG 4.17Å; E501-K513 IonicContact OE1-NZ 3.78Å; E501-K513 PolarHBondContact OE1-NZ 2.65Å; E501-K513 IonicContact OE2-NZ 3.91Å; E501-K513 PolarHBondContact OE2-NZ 2.8Å; E501-Y541 PolarHBondContact OE2-OH 3.27Å
502	L	96.1	Very high	95.3	Very high	46 Å²	46	43.5 Å²	43.5	24%	0.241	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-93.5	120.2	-179.1	-57.2	-178.3	0	0	0	110.7	I494 N496 E507 R550	I494-L502 HydrophobicContact CG2-CD1 4.17Å; I494-L502 PolarHBondContact O-N 3.36Å; N496-L502 HydrophobicContact CB-CD1 4.29Å; N496-L502 HydrophobicContact CB-CD2 4.24Å; N496-L502 HydrophobicContact CB-CG 4.42Å; L502-E507 WeakPolarHBondContact CD1-O 3.43Å; L502-R550 PolarHBondContact O-NH2 3.15Å
503	E	94.9	Very high	95.2	Very high	169 Å²	169	46.7 Å²	46.7	79%	0.79	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-84.5	161.7	174.5	-63.7	-169.2	172	0	0	112.6
504	G	94.4	Very high	95.2	Very high	21 Å²	21	48.7 Å²	48.7	22%	0.216	26%	0.264	C	S	.	.	S	Bend	trans	65	-154.4	176	0	0	0	0	0	114.6	S506 R550	G504-S506 PolarHBondContact O-N 3.22Å; G504-R550 VanDerWaalsContact O-CZ 3.3Å; G504-R550 PolarHBondContact O-NE 2.68Å; G504-R550 PolarHBondContact O-NH2 2.89Å
505	P	95.6	Very high	95.1	Very high	92 Å²	92	48.9 Å²	48.9	60%	0.597	27%	0.265	S	S	*	.	S	Bend	trans	-65.6	122.2	171.2	-8.8	21.4	0	0	0	110.3	R550 K552	P505-R550 CarbonylContact C-O 3.51Å; P505-R550 VanDerWaalsContact CA-O 3.24Å; P505-R550 WeakPolarHBondContact CA-O 3.24Å; P505-K552 HydrophobicContact CG-CB 4.16Å
506	S	94.5	Very high	95.2	Very high	19 Å²	19	48.9 Å²	48.9	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	167.4	-173.1	58.5	0	0	0	0	112.1	G504 R549 R550	G504-S506 PolarHBondContact O-N 3.22Å; S506-R549 CarbonylContact O-C 3.28Å; S506-R549 WeakPolarHBondContact O-CA 3.09Å; S506-R550 PolarHBondContact N-O 2.93Å; S506-R550 PolarHBondContact O-N 2.71Å
507	E	92	Very high	95.4	Very high	68 Å²	68	47.1 Å²	47.1	32%	0.318	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.3	175.3	-179.4	167.3	-169.2	0	0	110.1	L502 C548 R549	L502-E507 WeakPolarHBondContact CD1-O 3.43Å; E507-C548 WeakPolarHBondContact CA-O 3.26Å; E507-R549 HydrophobicContact CB-CB 4.24Å; E507-R549 HydrophobicContact CB-CG 4.29Å; E507-R549 HydrophobicContact CG-CB 4.24Å
508	G	89.9	Confident	95.8	Very high	6 Å²	6	42.4 Å²	42.4	6%	0.062	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-153.9	-178.7	0	0	0	0	0	113.2	I494 L510 G547 C548	I494-G508 VanDerWaalsContact CG2-N 3.34Å; G508-L510 PolarHBondContact O-N 3.07Å; G508-G547 CarbonylContact O-C 3.55Å; G508-G547 VanDerWaalsContact O-CA 3.28Å; G508-G547 WeakPolarHBondContact O-CA 3.34Å; G508-C548 PolarHBondContact N-O 2.78Å; G508-C548 PolarHBondContact O-N 2.98Å
509	Y	95.3	Very high	96.2	Very high	18 Å²	18	37.6 Å²	37.6	7%	0.071	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.8	-179.4	-68.6	-87.4	0	0	0	111.1	I494 L495 E497 V511 K537 F538 I562 L572	I494-Y509 WeakPolarHBondContact CA-O 3.25Å; L495-Y509 PolarHBondContact N-O 3.2Å; L495-Y509 WeakPolarHBondContact O-CD2 3.17Å; L495-Y509 PolarHBondContact O-N 2.86Å; E497-Y509 VanDerWaalsContact CD-OH 3.3Å; E497-Y509 PolarHBondContact OE1-OH 2.97Å; E497-Y509 WeakPolarHBondContact OE2-CE2 3.32Å; E497-Y509 PolarHBondContact OE2-OH 2.78Å; Y509-V511 PolarHBondContact O-N 2.72Å; Y509-K537 VanDerWaalsContact CE1-NZ 3.31Å; Y509-K537 PolarHBondContact OH-NZ 3.36Å; Y509-F538 HydrophobicContact CD1-CE2 4.07Å; Y509-F538 HydrophobicContact CD2-CE2 4.04Å; Y509-F538 AromaticContact CD2-CZ 3.9Å; Y509-F538 HydrophobicContact CD2-CZ 3.9Å; Y509-F538 HydrophobicContact CE2-CZ 4.34Å; Y509-F538 AromaticContact CG-CE2 3.69Å; Y509-F538 HydrophobicContact CG-CE2 3.69Å; Y509-F538 HydrophobicContact CG-CZ 4.05Å; Y509-I562 HydrophobicContact CD1-CB 4.41Å; Y509-I562 HydrophobicContact CD1-CD1 3.94Å; Y509-I562 HydrophobicContact CD1-CG2 3.74Å; Y509-I562 HydrophobicContact CE1-CB 3.97Å; Y509-I562 HydrophobicContact CE1-CD1 3.66Å; Y509-I562 HydrophobicContact CE1-CG1 4.35Å; Y509-I562 HydrophobicContact CE1-CG2 3.76Å; Y509-L572 HydrophobicContact CE2-CD1 4.1Å
510	L	97.6	Very high	96.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.9	170	-179.8	59.1	0	0	0	109.5	F459 L469 P492 G508 F512 T544 D546 C548 Y556 I558	F459-L510 HydrophobicContact CD1-CD2 4.16Å; F459-L510 HydrophobicContact CE1-CD2 3.38Å; F459-L510 HydrophobicContact CZ-CD2 3.79Å; L469-L510 HydrophobicContact CD1-CD1 4.4Å; L469-L510 HydrophobicContact CD1-CD2 3.94Å; P492-L510 HydrophobicContact CB-CD1 4Å; G508-L510 PolarHBondContact O-N 3.07Å; L510-F512 HydrophobicContact CD1-CE1 4.42Å; L510-T544 HydrophobicContact CB-CG2 4.47Å; L510-T544 HydrophobicContact CD2-CG2 4.27Å; L510-T544 HydrophobicContact CG-CG2 3.99Å; L510-T544 WeakPolarHBondContact O-CB 3.49Å; L510-T544 WeakPolarHBondContact O-CG2 3.45Å; L510-T544 PolarHBondContact O-N 2.9Å; L510-T544 PolarHBondContact O-OG1 2.93Å; L510-D546 WeakPolarHBondContact CB-O 3.23Å; L510-D546 PolarHBondContact N-O 3.2Å; L510-C548 HydrophobicContact CB-CB 4.02Å; L510-C548 HydrophobicContact CD2-CB 4.38Å; L510-Y556 HydrophobicContact CD1-CD1 4.37Å; L510-Y556 HydrophobicContact CD1-CE1 4.36Å; L510-I558 HydrophobicContact CD2-CD1 3.74Å
511	V	98.5	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	162.5	175.9	-54.6	0	0	0	0	111.1	P492 A493 L495 Y509 F538 Y541 Y542 V543	P492-V511 WeakPolarHBondContact CA-O 3.46Å; A493-V511 HydrophobicContact CB-CG2 3.81Å; A493-V511 PolarHBondContact N-O 3.3Å; A493-V511 PolarHBondContact O-N 3.03Å; L495-V511 HydrophobicContact CD1-CG1 4.06Å; L495-V511 HydrophobicContact CD1-CG2 3.87Å; L495-V511 HydrophobicContact CD2-CG2 4.25Å; L495-V511 HydrophobicContact CG-CG1 4.23Å; L495-V511 HydrophobicContact CG-CG2 3.68Å; Y509-V511 PolarHBondContact O-N 2.72Å; V511-F538 HydrophobicContact CG1-CD2 3.98Å; V511-F538 HydrophobicContact CG1-CE2 4.49Å; V511-Y541 HydrophobicContact CB-CD1 4.25Å; V511-Y541 HydrophobicContact CB-CG 4.44Å; V511-Y541 HydrophobicContact CG2-CD1 3.43Å; V511-Y541 VanDerWaalsContact CG2-CD1 3.43Å; V511-Y541 HydrophobicContact CG2-CE1 4.1Å; V511-Y541 HydrophobicContact CG2-CG 3.97Å; V511-Y542 CarbonylContact C-O 3.59Å; V511-Y542 WeakPolarHBondContact CA-O 3.21Å; V511-Y542 WeakPolarHBondContact CB-O 3.38Å; V511-V543 HydrophobicContact CG1-CG2 4.22Å
512	F	98.5	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134	172.3	-57.5	-58.9	0	0	0	111.2	V468 V490 V491 P492 L510 W516 Y541 Y542 T544	V468-F512 HydrophobicContact CB-CE2 4.47Å; V468-F512 HydrophobicContact CB-CZ 3.96Å; V468-F512 HydrophobicContact CG2-CE2 4.2Å; V468-F512 HydrophobicContact CG2-CZ 3.69Å; V490-F512 HydrophobicContact CG1-CD1 3.44Å; V490-F512 VanDerWaalsContact CG1-CD1 3.44Å; V490-F512 HydrophobicContact CG1-CE1 3.41Å; V490-F512 VanDerWaalsContact CG1-CE1 3.41Å; V490-F512 HydrophobicContact CG1-CG 4.22Å; V490-F512 HydrophobicContact CG1-CZ 4.15Å; V491-F512 WeakPolarHBondContact O-CA 3.35Å; P492-F512 HydrophobicContact CB-CD1 4.09Å; P492-F512 HydrophobicContact CB-CE1 3.99Å; L510-F512 HydrophobicContact CD1-CE1 4.42Å; F512-W516 HydrophobicContact CB-CH2 4.43Å; F512-W516 HydrophobicContact CB-CZ3 3.74Å; F512-W516 AromaticContact CD2-CH2 3.37Å; F512-W516 HydrophobicContact CD2-CH2 3.37Å; F512-W516 HydrophobicContact CD2-CZ2 4.44Å; F512-W516 AromaticContact CD2-CZ3 3.5Å; F512-W516 HydrophobicContact CD2-CZ3 3.5Å; F512-W516 AromaticContact CE2-CH2 3.87Å; F512-W516 HydrophobicContact CE2-CH2 3.87Å; F512-W516 HydrophobicContact CE2-CZ3 4.29Å; F512-W516 HydrophobicContact CG-CH2 4.11Å; F512-W516 AromaticContact CG-CZ3 3.75Å; F512-W516 HydrophobicContact CG-CZ3 3.75Å; F512-Y541 WeakPolarHBondContact O-CA 3.13Å; F512-Y542 AromaticContact CD2-CD1 3.58Å; F512-Y542 HydrophobicContact CD2-CD1 3.58Å; F512-Y542 HydrophobicContact CD2-CE1 4.08Å; F512-Y542 HydrophobicContact CE2-CD1 4.3Å; F512-Y542 HydrophobicContact CE2-CE1 4.37Å; F512-Y542 PolarHBondContact N-O 3.22Å; F512-Y542 PolarHBondContact O-N 3.45Å; F512-T544 HydrophobicContact CD2-CG2 3.9Å; F512-T544 HydrophobicContact CE2-CG2 3.44Å; F512-T544 VanDerWaalsContact CE2-CG2 3.44Å; F512-T544 HydrophobicContact CZ-CG2 4Å
513	K	97.9	Very high	96.4	Very high	77 Å²	77	26.5 Å²	26.5	34%	0.335	14%	0.141	S	C	.	.	S	Bend	trans	-78.2	-20.3	-173.8	-51.9	-172.2	67.8	154	0	113.8	V491 A493 E501 Y541	V491-K513 HydrophobicContact CB-CB 4.22Å; V491-K513 HydrophobicContact CB-CG 4.46Å; V491-K513 HydrophobicContact CG1-CB 4.12Å; V491-K513 HydrophobicContact CG1-CD 3.73Å; V491-K513 HydrophobicContact CG1-CG 3.99Å; V491-K513 PolarHBondContact O-N 2.58Å; A493-K513 HydrophobicContact CB-CD 4.13Å; A493-K513 HydrophobicContact CB-CG 4.01Å; E501-K513 IonicContact OE1-NZ 3.78Å; E501-K513 PolarHBondContact OE1-NZ 2.65Å; E501-K513 IonicContact OE2-NZ 3.91Å; E501-K513 PolarHBondContact OE2-NZ 2.8Å; K513-Y541 HydrophobicContact CB-CE1 4.45Å; K513-Y541 HydrophobicContact CD-CE1 4.39Å; K513-Y541 HydrophobicContact CG-CD1 4.07Å; K513-Y541 HydrophobicContact CG-CE1 3.77Å
514	Q	96.4	Very high	96.5	Very high	43 Å²	43	21.1 Å²	21.1	20%	0.201	11%	0.114	C	C	.	.	S	Bend	trans	-154	160.2	-174.4	68.3	-177.6	48.5	0	0	110.4	Y65 G489 V491	Y65-Q514 WeakPolarHBondContact OH-CB 3.5Å; G489-Q514 PolarHBondContact O-NE2 2.74Å; V491-Q514 HydrophobicContact CB-CG 4.1Å; V491-Q514 VanDerWaalsContact CG2-CD 3.42Å; V491-Q514 HydrophobicContact CG2-CG 3.7Å
515	P	96.9	Very high	96.5	Very high	3 Å²	3	24 Å²	24	2%	0.019	14%	0.144	C	C	.	.			trans	-75.8	167.5	175.7	33.8	-37.7	0	0	0	111.8	Y65 F67 V76 V519	Y65-P515 HydrophobicContact CD1-CG 3.39Å; Y65-P515 VanDerWaalsContact CD2-CD 3.44Å; Y65-P515 HydrophobicContact CD2-CG 3.89Å; Y65-P515 VanDerWaalsContact CE1-CD 3.44Å; Y65-P515 HydrophobicContact CE1-CG 3.82Å; Y65-P515 HydrophobicContact CE2-CG 4.26Å; Y65-P515 HydrophobicContact CG-CG 3.43Å; Y65-P515 VanDerWaalsContact CG-CG 3.43Å; F67-P515 HydrophobicContact CE1-CB 4.05Å; F67-P515 HydrophobicContact CE1-CG 4.44Å; F67-P515 HydrophobicContact CE2-CB 4.46Å; F67-P515 HydrophobicContact CZ-CB 3.64Å; F67-P515 HydrophobicContact CZ-CG 4.23Å; V76-P515 HydrophobicContact CG1-CB 3.83Å; V76-P515 HydrophobicContact CG1-CG 4.28Å; V76-P515 HydrophobicContact CG2-CB 4.28Å; P515-V519 HydrophobicContact CB-CG1 4.05Å
516	W	97.9	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.			trans	-131.9	164.9	168.6	57.1	95	0	0	0	107.7	Y330 T464 V468 V490 F512 G518 V519 Y542	Y330-W516 AromaticContact CD1-CD1 3.92Å; Y330-W516 AromaticContact CE1-CD1 3.47Å; Y330-W516 VanDerWaalsContact CE1-CD1 3.47Å; Y330-W516 AromaticContact CE1-NE1 3.76Å; Y330-W516 HydrophobicContact CE2-CB 4.2Å; Y330-W516 AromaticContact CE2-CD1 3.64Å; Y330-W516 HydrophobicContact CE2-CG 4.21Å; Y330-W516 AromaticContact CZ-CD1 3.34Å; Y330-W516 AromaticContact CZ-NE1 3.98Å; T464-W516 HydrophobicContact CG2-CH2 4.38Å; T464-W516 HydrophobicContact CG2-CZ2 3.75Å; T464-W516 PolarHBondContact O-NE1 2.74Å; V468-W516 HydrophobicContact CG1-CD2 4.5Å; V468-W516 HydrophobicContact CG1-CZ2 3.91Å; V490-W516 HydrophobicContact CG2-CB 4.16Å; V490-W516 HydrophobicContact CG2-CD2 4.01Å; V490-W516 HydrophobicContact CG2-CE3 4.21Å; V490-W516 HydrophobicContact CG2-CG 3.98Å; F512-W516 HydrophobicContact CB-CH2 4.43Å; F512-W516 HydrophobicContact CB-CZ3 3.74Å; F512-W516 AromaticContact CD2-CH2 3.37Å; F512-W516 HydrophobicContact CD2-CH2 3.37Å; F512-W516 HydrophobicContact CD2-CZ2 4.44Å; F512-W516 AromaticContact CD2-CZ3 3.5Å; F512-W516 HydrophobicContact CD2-CZ3 3.5Å; F512-W516 AromaticContact CE2-CH2 3.87Å; F512-W516 HydrophobicContact CE2-CH2 3.87Å; F512-W516 HydrophobicContact CE2-CZ3 4.29Å; F512-W516 HydrophobicContact CG-CH2 4.11Å; F512-W516 AromaticContact CG-CZ3 3.75Å; F512-W516 HydrophobicContact CG-CZ3 3.75Å; W516-G518 VanDerWaalsContact C-N 3.29Å; W516-G518 PolarHBondContact O-N 3.35Å; W516-G518 VanDerWaalsContact O-N 3.13Å; W516-V519 HydrophobicContact CD2-CB 4.28Å; W516-V519 HydrophobicContact CH2-CB 4.39Å; W516-V519 HydrophobicContact CH2-CG2 4.01Å; W516-V519 HydrophobicContact CZ2-CB 3.89Å; W516-V519 HydrophobicContact CZ2-CG2 3.81Å; W516-V519 WeakPolarHBondContact O-CG1 3.42Å; W516-V519 PolarHBondContact O-N 3.37Å; W516-Y542 HydrophobicContact CH2-CD1 4.3Å; W516-Y542 HydrophobicContact CH2-CE1 4.47Å
517	P	98.1	Very high	96.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-39.7	-169.8	-28.9	36	0	0	0	115	W45 F62 L63 G326 Y330 V519 R521	W45-P517 HydrophobicContact CD2-CG 3.64Å; W45-P517 HydrophobicContact CE3-CG 3.97Å; W45-P517 HydrophobicContact CG-CG 4.07Å; W45-P517 HydrophobicContact CH2-CG 4.25Å; W45-P517 HydrophobicContact CZ2-CG 3.92Å; W45-P517 HydrophobicContact CZ3-CG 4.26Å; F62-P517 HydrophobicContact CE1-CG 4.33Å; L63-P517 HydrophobicContact CD1-CG 4.46Å; G326-P517 CarbonylContact C-O 3.59Å; G326-P517 VanDerWaalsContact C-O 3.32Å; G326-P517 VanDerWaalsContact CA-O 3.24Å; G326-P517 WeakPolarHBondContact CA-O 3.38Å; G326-P517 CarbonylContact O-C 3.55Å; Y330-P517 HydrophobicContact CD2-CB 4.45Å; Y330-P517 HydrophobicContact CD2-CG 4.49Å; P517-V519 PolarHBondContact O-N 3.02Å; P517-R521 PolarHBondContact O-NH1 2.73Å; P517-R521 VanDerWaalsContact O-NH1 3.08Å
518	G	97.9	Very high	96.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	1.2	-173.4	0	0	0	0	0	116.6	H322 T464 G465 W516	H322-G518 PolarHBondContact CE1-O 3.29Å; H322-G518 PolarHBondContact ND1-O 2.76Å; T464-G518 CarbonylContact C-O 3.53Å; T464-G518 CarbonylContact O-C 3.37Å; G465-G518 WeakPolarHBondContact CA-O 3.29Å; G465-G518 PolarHBondContact N-O 3.07Å; W516-G518 VanDerWaalsContact C-N 3.29Å; W516-G518 PolarHBondContact O-N 3.35Å; W516-G518 VanDerWaalsContact O-N 3.13Å
519	V	98.4	Very high	96.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.162	C	C	.	.	S	Bend	trans	-63.8	143.2	179.7	70.6	0	0	0	0	111.3	V76 P515 W516 P517 R521	V76-V519 HydrophobicContact CB-CG1 4.34Å; V76-V519 HydrophobicContact CG1-CG1 3.8Å; V76-V519 HydrophobicContact CG2-CG1 4.25Å; P515-V519 HydrophobicContact CB-CG1 4.05Å; W516-V519 HydrophobicContact CD2-CB 4.28Å; W516-V519 HydrophobicContact CH2-CB 4.39Å; W516-V519 HydrophobicContact CH2-CG2 4.01Å; W516-V519 HydrophobicContact CZ2-CB 3.89Å; W516-V519 HydrophobicContact CZ2-CG2 3.81Å; W516-V519 WeakPolarHBondContact O-CG1 3.42Å; W516-V519 PolarHBondContact O-N 3.37Å; P517-V519 PolarHBondContact O-N 3.02Å; V519-R521 PolarHBondContact O-NH1 3.15Å
520	M	98.1	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.			trans	-57.1	156.5	173.6	64.9	169.7	174.5	0	0	111.3	V320 L321 H322 E463 F530 Y534 Y542	V320-M520 HydrophobicContact CG1-CB 3.61Å; V320-M520 HydrophobicContact CG1-CG 4.22Å; V320-M520 HydrophobicContact CG1-SD 3.76Å; V320-M520 HydrophobicContact CG2-SD 4.48Å; L321-M520 WeakPolarHBondContact O-CA 3.47Å; L321-M520 WeakPolarHBondContact O-CB 3.49Å; H322-M520 PolarHBondContact CE1-N 2.66Å; E463-M520 HydrophobicContact CB-CE 3.73Å; E463-M520 HydrophobicContact CB-CG 4.1Å; E463-M520 HydrophobicContact CB-SD 3.71Å; E463-M520 HydrophobicContact CG-CE 3.55Å; E463-M520 HydrophobicContact CG-CG 4.47Å; E463-M520 HydrophobicContact CG-SD 3.44Å; E463-M520 WeakPolarHBondContact CG-SD 3.47Å; E463-M520 WeakPolarHBondContact O-CB 3.33Å; E463-M520 WeakPolarHBondContact O-CG 3.42Å; E463-M520 PolarHBondContact O-N 3.19Å; M520-F530 HydrophobicContact CE-CD2 3.54Å; M520-F530 HydrophobicContact CE-CE2 3.3Å; M520-F530 HydrophobicContact CG-CE2 3.91Å; M520-F530 HydrophobicContact SD-CD2 4Å; M520-F530 HydrophobicContact SD-CE2 3.88Å; M520-Y534 HydrophobicContact CE-CD1 3.91Å; M520-Y534 HydrophobicContact CE-CD2 3.37Å; M520-Y534 HydrophobicContact CE-CE1 3.69Å; M520-Y534 HydrophobicContact CE-CE2 3.19Å; M520-Y534 HydrophobicContact CE-CG 3.73Å; M520-Y534 HydrophobicContact SD-CE2 4.14Å; M520-Y542 HydrophobicContact CE-CE2 3.79Å
521	R	97.9	Very high	96.7	Very high	20 Å²	20	31.9 Å²	31.9	8%	0.075	17%	0.17	C	C	.	.			trans	-97.7	-29	179.2	-60.2	-48.3	-165.4	-111.9	-4.8	114.1	V76 E302 L321 T323 P517 V519	V76-R521 VanDerWaalsContact O-CD 3.23Å; V76-R521 WeakPolarHBondContact O-CD 3.22Å; V76-R521 PolarHBondContact O-NE 2.68Å; E302-R521 IonicContact OE1-CZ 2.69Å; E302-R521 IonicContact OE1-NE 2.93Å; E302-R521 PolarHBondContact OE1-NE 3.45Å; E302-R521 IonicContact OE1-NH2 3.45Å; E302-R521 PolarHBondContact OE1-NH2 3.35Å; E302-R521 IonicContact OE2-CZ 3.92Å; E302-R521 IonicContact OE2-NE 2.71Å; E302-R521 PolarHBondContact OE2-NE 3.25Å; E302-R521 IonicContact OE2-NH2 3.64Å; E302-R521 PolarHBondContact OE2-NH2 3.41Å; L321-R521 PolarHBondContact O-N 2.96Å; T323-R521 HydrophobicContact CG2-CB 4.26Å; T323-R521 HydrophobicContact CG2-CG 3.51Å; T323-R521 PolarHBondContact OG1-NE 3.17Å; P517-R521 PolarHBondContact O-NH1 2.73Å; P517-R521 VanDerWaalsContact O-NH1 3.08Å; V519-R521 PolarHBondContact O-NH1 3.15Å
522	S	97.8	Very high	96.5	Very high	17 Å²	17	34.6 Å²	34.6	12%	0.119	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	174.6	-176.8	-165.7	0	0	0	0	111.2	L321 H527	L321-S522 WeakPolarHBondContact CB-O 3.47Å; L321-S522 PolarHBondContact N-O 2.71Å; S522-H527 PolarHBondContact OG-ND1 3.35Å
523	V	96.1	Very high	96.2	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.4	156.1	172.9	0	0	0	0	107.4	K318 G319 G525 N526 F530 Y534	K318-V523 HydrophobicContact CD-CG2 3.69Å; K318-V523 HydrophobicContact CG-CB 4.24Å; K318-V523 HydrophobicContact CG-CG1 3.65Å; K318-V523 HydrophobicContact CG-CG2 3.49Å; K318-V523 VanDerWaalsContact CG-CG2 3.49Å; G319-V523 CarbonylContact O-C 3.57Å; G319-V523 WeakPolarHBondContact O-CA 3.47Å; V523-G525 PolarHBondContact O-N 3.34Å; V523-N526 WeakPolarHBondContact CB-O 3.41Å; V523-N526 HydrophobicContact CG1-CB 4.23Å; V523-N526 CarbonylContact O-C 3.51Å; V523-N526 VanDerWaalsContact O-C 3.31Å; V523-N526 PolarHBondContact O-N 2.71Å; V523-F530 HydrophobicContact CB-CB 4.2Å; V523-F530 HydrophobicContact CG2-CB 3.96Å; V523-Y534 HydrophobicContact CG2-CE2 4.35Å
524	Y	95.7	Very high	96.1	Very high	56 Å²	56	34.3 Å²	34.3	22%	0.22	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	131.3	-176.1	-175.5	-100.7	0	0	0	111.5	R145 I307 G319 N526	R145-Y524 PolarHBondContact NE-OH 3.04Å; R145-Y524 VanDerWaalsContact NE-OH 3.15Å; I307-Y524 HydrophobicContact CD1-CD1 3.79Å; I307-Y524 HydrophobicContact CD1-CD2 3.46Å; I307-Y524 VanDerWaalsContact CD1-CD2 3.46Å; I307-Y524 HydrophobicContact CD1-CE1 4.05Å; I307-Y524 HydrophobicContact CD1-CE2 3.75Å; I307-Y524 HydrophobicContact CD1-CG 3.47Å; I307-Y524 VanDerWaalsContact CD1-CG 3.47Å; I307-Y524 HydrophobicContact CG1-CD2 4.04Å; I307-Y524 HydrophobicContact CG1-CG 4.05Å; G319-Y524 PolarHBondContact O-N 2.91Å; Y524-N526 PolarHBondContact O-N 3.05Å; Y524-N526 VanDerWaalsContact O-N 3.07Å
525	G	94.4	Very high	96.1	Very high	82 Å²	82	32.3 Å²	32.3	85%	0.845	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	3.5	-178.5	0	0	0	0	0	115.5	V523	V523-G525 PolarHBondContact O-N 3.34Å
526	N	94.8	Very high	96.1	Very high	69 Å²	69	39 Å²	39	37%	0.369	22%	0.215	S	C	.	.			trans	-154	71.2	-175.4	-163.2	-25.2	0	0	0	112.8	V523 Y524 E528 R529 F530	V523-N526 WeakPolarHBondContact CB-O 3.41Å; V523-N526 HydrophobicContact CG1-CB 4.23Å; V523-N526 CarbonylContact O-C 3.51Å; V523-N526 VanDerWaalsContact O-C 3.31Å; V523-N526 PolarHBondContact O-N 2.71Å; Y524-N526 PolarHBondContact O-N 3.05Å; Y524-N526 VanDerWaalsContact O-N 3.07Å; N526-E528 VanDerWaalsContact C-N 3.32Å; N526-E528 PolarHBondContact O-N 2.8Å; N526-R529 HydrophobicContact CB-CB 4.18Å; N526-R529 VanDerWaalsContact CG-CB 3.43Å; N526-R529 PolarHBondContact O-N 3.16Å; N526-R529 WeakPolarHBondContact OD1-CB 3.36Å; N526-R529 PolarHBondContact OD1-N 3.03Å; N526-F530 PolarHBondContact O-N 3.09Å
527	H	96.8	Very high	96	Very high	48 Å²	48	43.1 Å²	43.1	22%	0.222	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-33.9	179.2	-165.2	71.9	0	0	0	112.8	E73 I74 S522 R529 F530 E531	E73-H527 IonicContact OE1-CD2 3.92Å; E73-H527 IonicContact OE1-NE2 2.74Å; I74-H527 PolarHBondContact O-CE1 2.69Å; I74-H527 PolarHBondContact O-NE2 2.62Å; S522-H527 PolarHBondContact OG-ND1 3.35Å; H527-R529 VanDerWaalsContact C-N 3.28Å; H527-R529 PolarHBondContact O-N 3.23Å; H527-F530 AromaticContact CE1-CD1 3.4Å; H527-F530 VanDerWaalsContact CE1-CD1 3.4Å; H527-F530 WeakPolarHBondContact CE1-CD1 3.18Å; H527-F530 AromaticContact CE1-CE1 3.68Å; H527-F530 AromaticContact ND1-CD1 3.73Å; H527-F530 AromaticContact NE2-CD1 3.98Å; H527-F530 WeakPolarHBondContact O-CA 3Å; H527-F530 WeakPolarHBondContact O-CB 3.44Å; H527-F530 PolarHBondContact O-N 2.62Å; H527-E531 IonicContact CD2-OE1 3.66Å; H527-E531 IonicContact NE2-OE1 2.91Å; H527-E531 PolarHBondContact O-N 3.05Å
528	E	95.5	Very high	95.9	Very high	158 Å²	158	43.7 Å²	43.7	74%	0.738	24%	0.236	S	C	*	.	H	α-helix	trans	-58.7	-39.4	174.7	-64	179.2	-178.9	0	0	112.2	N526 F530 E531 A532	N526-E528 VanDerWaalsContact C-N 3.32Å; N526-E528 PolarHBondContact O-N 2.8Å; E528-F530 VanDerWaalsContact C-N 3.28Å; E528-F530 PolarHBondContact O-N 2.98Å; E528-E531 PolarHBondContact O-N 3.02Å; E528-A532 VanDerWaalsContact O-CB 3.23Å; E528-A532 WeakPolarHBondContact O-CB 3.37Å; E528-A532 PolarHBondContact O-N 2.94Å
529	R	92.3	Very high	95.9	Very high	46 Å²	46	46.3 Å²	46.3	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-34.5	173.8	-176.1	177.2	-175.6	-170.3	3.6	111.5	T314 K316 P317 N526 H527 T533	T314-R529 PolarHBondContact OG1-NH2 2.89Å; T314-R529 VanDerWaalsContact OG1-NH2 3.16Å; K316-R529 PolarHBondContact O-NH2 2.78Å; P317-R529 PolarHBondContact O-NH1 3.03Å; N526-R529 HydrophobicContact CB-CB 4.18Å; N526-R529 VanDerWaalsContact CG-CB 3.43Å; N526-R529 PolarHBondContact O-N 3.16Å; N526-R529 WeakPolarHBondContact OD1-CB 3.36Å; N526-R529 PolarHBondContact OD1-N 3.03Å; H527-R529 VanDerWaalsContact C-N 3.28Å; H527-R529 PolarHBondContact O-N 3.23Å; R529-T533 WeakPolarHBondContact O-CB 3.49Å; R529-T533 PolarHBondContact O-N 2.88Å; R529-T533 PolarHBondContact O-OG1 2.89Å
530	F	95.3	Very high	95.9	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-53.1	173.7	168.9	-103.5	0	0	0	110.7	I74 M520 V523 N526 H527 E528 A532 T533 Y534 F535	I74-F530 HydrophobicContact CB-CE1 4.24Å; I74-F530 HydrophobicContact CG2-CD1 4.31Å; I74-F530 HydrophobicContact CG2-CE1 3.52Å; I74-F530 HydrophobicContact CG2-CZ 4.25Å; M520-F530 HydrophobicContact CE-CD2 3.54Å; M520-F530 HydrophobicContact CE-CE2 3.3Å; M520-F530 HydrophobicContact CG-CE2 3.91Å; M520-F530 HydrophobicContact SD-CD2 4Å; M520-F530 HydrophobicContact SD-CE2 3.88Å; V523-F530 HydrophobicContact CB-CB 4.2Å; V523-F530 HydrophobicContact CG2-CB 3.96Å; N526-F530 PolarHBondContact O-N 3.09Å; H527-F530 AromaticContact CE1-CD1 3.4Å; H527-F530 VanDerWaalsContact CE1-CD1 3.4Å; H527-F530 WeakPolarHBondContact CE1-CD1 3.18Å; H527-F530 AromaticContact CE1-CE1 3.68Å; H527-F530 AromaticContact ND1-CD1 3.73Å; H527-F530 AromaticContact NE2-CD1 3.98Å; H527-F530 WeakPolarHBondContact O-CA 3Å; H527-F530 WeakPolarHBondContact O-CB 3.44Å; H527-F530 PolarHBondContact O-N 2.62Å; E528-F530 VanDerWaalsContact C-N 3.28Å; E528-F530 PolarHBondContact O-N 2.98Å; F530-A532 PolarHBondContact O-N 2.71Å; F530-T533 PolarHBondContact O-N 3.39Å; F530-Y534 AromaticContact CD2-CD2 3.69Å; F530-Y534 HydrophobicContact CD2-CD2 3.69Å; F530-Y534 AromaticContact CD2-CE2 3.96Å; F530-Y534 HydrophobicContact CD2-CE2 3.96Å; F530-Y534 HydrophobicContact CE2-CD2 4.27Å; F530-Y534 HydrophobicContact CG-CD2 4.33Å; F530-Y534 WeakPolarHBondContact O-CD2 3.45Å; F530-Y534 PolarHBondContact O-N 3.38Å; F530-Y534 VanDerWaalsContact O-N 3.09Å; F530-F535 HydrophobicContact CD1-CE2 4.1Å; F530-F535 HydrophobicContact CD2-CE2 4.33Å; F530-F535 HydrophobicContact CE1-CD2 4.32Å; F530-F535 AromaticContact CE1-CE2 3.57Å; F530-F535 HydrophobicContact CE1-CE2 3.57Å; F530-F535 HydrophobicContact CE1-CZ 4.28Å; F530-F535 AromaticContact CE2-CE2 3.8Å; F530-F535 HydrophobicContact CE2-CE2 3.8Å; F530-F535 HydrophobicContact CE2-CZ 4.37Å; F530-F535 HydrophobicContact CG-CE2 4.47Å; F530-F535 AromaticContact CZ-CE2 3.4Å; F530-F535 HydrophobicContact CZ-CE2 3.4Å; F530-F535 AromaticContact CZ-CZ 3.84Å; F530-F535 HydrophobicContact CZ-CZ 3.84Å
531	E	96.6	Very high	95.9	Very high	46 Å²	46	49.7 Å²	49.7	22%	0.215	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-49	176.9	-60.2	-167.6	150.1	0	0	112.5	V69 E73 I74 H527 E528 T533 F535 K536	V69-E531 HydrophobicContact CG1-CB 4.32Å; E73-E531 WeakPolarHBondContact CA-OE1 3.34Å; I74-E531 HydrophobicContact CB-CG 3.94Å; I74-E531 HydrophobicContact CG1-CB 4.31Å; I74-E531 HydrophobicContact CG1-CG 3.76Å; I74-E531 PolarHBondContact N-OE1 2.97Å; H527-E531 IonicContact CD2-OE1 3.66Å; H527-E531 IonicContact NE2-OE1 2.91Å; H527-E531 PolarHBondContact O-N 3.05Å; E528-E531 PolarHBondContact O-N 3.02Å; E531-T533 VanDerWaalsContact C-N 3.32Å; E531-T533 PolarHBondContact O-N 2.99Å; E531-F535 PolarHBondContact O-N 3.39Å; E531-K536 PolarHBondContact O-N 3.29Å
532	A	93.8	Very high	95.9	Very high	56 Å²	56	48.7 Å²	48.7	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-36.8	-178	0	0	0	0	0	112.9	E528 F530	E528-A532 VanDerWaalsContact O-CB 3.23Å; E528-A532 WeakPolarHBondContact O-CB 3.37Å; E528-A532 PolarHBondContact O-N 2.94Å; F530-A532 PolarHBondContact O-N 2.71Å
533	T	91.3	Very high	95.9	Very high	65 Å²	65	48.2 Å²	48.2	40%	0.399	27%	0.266	S	S	.	.	H	α-helix	trans	-78.3	-41.4	-176.1	-57.3	0	0	0	0	111.8	R529 F530 E531	R529-T533 WeakPolarHBondContact O-CB 3.49Å; R529-T533 PolarHBondContact O-N 2.88Å; R529-T533 PolarHBondContact O-OG1 2.89Å; F530-T533 PolarHBondContact O-N 3.39Å; E531-T533 VanDerWaalsContact C-N 3.32Å; E531-T533 PolarHBondContact O-N 2.99Å
534	Y	95.9	Very high	95.8	Very high	6 Å²	6	48.3 Å²	48.3	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-113.2	-17.7	-164.4	-55.4	-76.8	0	0	0	115	K318 E463 M520 V523 F530 Y542 V543	K318-Y534 WeakPolarHBondContact CE-OH 3.15Å; K318-Y534 PolarHBondContact NZ-OH 3.45Å; E463-Y534 HydrophobicContact CG-CE1 3.73Å; E463-Y534 WeakPolarHBondContact CG-OH 3.18Å; E463-Y534 PolarHBondContact OE1-OH 2.94Å; M520-Y534 HydrophobicContact CE-CD1 3.91Å; M520-Y534 HydrophobicContact CE-CD2 3.37Å; M520-Y534 HydrophobicContact CE-CE1 3.69Å; M520-Y534 HydrophobicContact CE-CE2 3.19Å; M520-Y534 HydrophobicContact CE-CG 3.73Å; M520-Y534 HydrophobicContact SD-CE2 4.14Å; V523-Y534 HydrophobicContact CG2-CE2 4.35Å; F530-Y534 AromaticContact CD2-CD2 3.69Å; F530-Y534 HydrophobicContact CD2-CD2 3.69Å; F530-Y534 AromaticContact CD2-CE2 3.96Å; F530-Y534 HydrophobicContact CD2-CE2 3.96Å; F530-Y534 HydrophobicContact CE2-CD2 4.27Å; F530-Y534 HydrophobicContact CG-CD2 4.33Å; F530-Y534 WeakPolarHBondContact O-CD2 3.45Å; F530-Y534 PolarHBondContact O-N 3.38Å; F530-Y534 VanDerWaalsContact O-N 3.09Å; Y534-Y542 AromaticContact CD1-CE2 3.71Å; Y534-Y542 HydrophobicContact CD1-CE2 3.71Å; Y534-Y542 AromaticContact CD1-CZ 3.9Å; Y534-Y542 HydrophobicContact CE1-CE2 4.42Å; Y534-Y542 AromaticContact CG-CE2 3.92Å; Y534-Y542 HydrophobicContact CG-CE2 3.92Å; Y534-V543 WeakPolarHBondContact O-CB 3.47Å; Y534-V543 WeakPolarHBondContact O-CG2 3.45Å; Y534-V543 PolarHBondContact O-N 3.01Å
535	F	97.6	Very high	95.6	Very high	1 Å²	1	46 Å²	46	0%	0.004	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-21	-171.2	-57.5	-82.8	0	0	0	113.4	F67 V69 I74 F530 E531 F538 Y541 Y542	F67-F535 HydrophobicContact CB-CD1 4.17Å; F67-F535 HydrophobicContact CB-CE1 4.24Å; F67-F535 HydrophobicContact CD1-CD1 4.15Å; F67-F535 AromaticContact CD1-CE1 3.41Å; F67-F535 HydrophobicContact CD1-CE1 3.41Å; F67-F535 VanDerWaalsContact CD1-CE1 3.41Å; F67-F535 HydrophobicContact CD1-CZ 4.13Å; F67-F535 HydrophobicContact CD2-CE1 4.16Å; F67-F535 AromaticContact CE1-CE1 3.61Å; F67-F535 HydrophobicContact CE1-CE1 3.61Å; F67-F535 HydrophobicContact CE1-CZ 4Å; F67-F535 HydrophobicContact CE2-CE1 4.34Å; F67-F535 HydrophobicContact CG-CD1 4.13Å; F67-F535 AromaticContact CG-CE1 3.69Å; F67-F535 HydrophobicContact CG-CE1 3.69Å; F67-F535 HydrophobicContact CZ-CE1 4.07Å; V69-F535 HydrophobicContact CG1-CB 3.78Å; I74-F535 HydrophobicContact CB-CD2 4.39Å; I74-F535 HydrophobicContact CD1-CB 4.06Å; I74-F535 HydrophobicContact CD1-CD1 4.46Å; I74-F535 HydrophobicContact CD1-CG 4.15Å; I74-F535 HydrophobicContact CG1-CB 4.04Å; I74-F535 HydrophobicContact CG1-CD2 4.1Å; I74-F535 HydrophobicContact CG1-CG 4.02Å; I74-F535 HydrophobicContact CG2-CD1 4.23Å; I74-F535 HydrophobicContact CG2-CD2 3.67Å; I74-F535 HydrophobicContact CG2-CE1 4.12Å; I74-F535 HydrophobicContact CG2-CE2 3.56Å; I74-F535 HydrophobicContact CG2-CG 4Å; I74-F535 HydrophobicContact CG2-CZ 3.77Å; F530-F535 HydrophobicContact CD1-CE2 4.1Å; F530-F535 HydrophobicContact CD2-CE2 4.33Å; F530-F535 HydrophobicContact CE1-CD2 4.32Å; F530-F535 AromaticContact CE1-CE2 3.57Å; F530-F535 HydrophobicContact CE1-CE2 3.57Å; F530-F535 HydrophobicContact CE1-CZ 4.28Å; F530-F535 AromaticContact CE2-CE2 3.8Å; F530-F535 HydrophobicContact CE2-CE2 3.8Å; F530-F535 HydrophobicContact CE2-CZ 4.37Å; F530-F535 HydrophobicContact CG-CE2 4.47Å; F530-F535 AromaticContact CZ-CE2 3.4Å; F530-F535 HydrophobicContact CZ-CE2 3.4Å; F530-F535 AromaticContact CZ-CZ 3.84Å; F530-F535 HydrophobicContact CZ-CZ 3.84Å; E531-F535 PolarHBondContact O-N 3.39Å; F535-F538 CarbonylContact O-C 3.33Å; F535-Y541 WeakPolarHBondContact CD1-O 3.49Å; F535-Y542 HydrophobicContact CE1-CD2 4.01Å; F535-Y542 HydrophobicContact CE2-CD2 4.42Å; F535-Y542 AromaticContact CZ-CD2 3.73Å; F535-Y542 HydrophobicContact CZ-CD2 3.73Å
536	K	95.6	Very high	95.4	Very high	144 Å²	144	42.8 Å²	42.8	63%	0.626	22%	0.223	S	C	*	.	S	Bend	trans	-70.2	-34.7	-175.9	-169.3	172.6	-175.4	173.2	0	114.3	E531	E531-K536 PolarHBondContact O-N 3.29Å
537	K	95.3	Very high	95.1	Very high	86 Å²	86	39.5 Å²	39.5	37%	0.374	21%	0.205	S	C	.	.	S	Bend	trans	-65.5	-43.5	-177.3	-177.9	168.8	-177.3	162.6	0	111.6	E497 Y509 V543	E497-K537 WeakPolarHBondContact OE1-CE 3.16Å; E497-K537 IonicContact OE1-NZ 3.21Å; E497-K537 PolarHBondContact OE1-NZ 3.27Å; E497-K537 IonicContact OE2-NZ 3.19Å; Y509-K537 VanDerWaalsContact CE1-NZ 3.31Å; Y509-K537 PolarHBondContact OH-NZ 3.36Å; K537-V543 HydrophobicContact CB-CG2 4.38Å
538	F	97.4	Very high	94.9	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.053	20%	0.195	C	C	.	.	S	Bend	trans	-133.1	88	179.3	-58.2	-54.6	0	0	0	109.5	L495 N496 G499 Y509 V511 F535 G540 Y541 V543	L495-F538 HydrophobicContact CB-CE2 4.39Å; L495-F538 HydrophobicContact CB-CZ 4.43Å; L495-F538 HydrophobicContact CD1-CB 3.78Å; L495-F538 HydrophobicContact CD1-CD1 4.02Å; L495-F538 HydrophobicContact CD1-CD2 3.72Å; L495-F538 HydrophobicContact CD1-CE2 4.25Å; L495-F538 HydrophobicContact CD1-CG 3.57Å; N496-F538 WeakPolarHBondContact O-CZ 3.17Å; G499-F538 VanDerWaalsContact CA-CE1 3.45Å; Y509-F538 HydrophobicContact CD1-CE2 4.07Å; Y509-F538 HydrophobicContact CD2-CE2 4.04Å; Y509-F538 AromaticContact CD2-CZ 3.9Å; Y509-F538 HydrophobicContact CD2-CZ 3.9Å; Y509-F538 HydrophobicContact CE2-CZ 4.34Å; Y509-F538 AromaticContact CG-CE2 3.69Å; Y509-F538 HydrophobicContact CG-CE2 3.69Å; Y509-F538 HydrophobicContact CG-CZ 4.05Å; V511-F538 HydrophobicContact CG1-CD2 3.98Å; V511-F538 HydrophobicContact CG1-CE2 4.49Å; F535-F538 CarbonylContact O-C 3.33Å; F538-G540 PolarHBondContact O-N 2.94Å; F538-Y541 HydrophobicContact CB-CD2 4.24Å; F538-Y541 PolarHBondContact O-N 2.9Å; F538-V543 HydrophobicContact CB-CG2 4.19Å; F538-V543 HydrophobicContact CD2-CG2 3.75Å; F538-V543 HydrophobicContact CG-CG2 4.4Å
539	P	97.7	Very high	94.8	Very high	56 Å²	56	33.5 Å²	33.5	36%	0.364	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	133.7	-179.2	-26.2	34.7	0	0	0	112.2	D68 V69 T70	D68-P539 WeakPolarHBondContact OD1-CB 3.49Å; V69-P539 HydrophobicContact CG2-CB 4.13Å; V69-P539 HydrophobicContact CG2-CG 4.03Å; T70-P539 HydrophobicContact CG2-CB 4.1Å; T70-P539 HydrophobicContact CG2-CG 4.2Å
540	G	97.6	Very high	95	Very high	23 Å²	23	32 Å²	32	24%	0.237	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-5	-174.9	0	0	0	0	0	114.2	F67 F538	F67-G540 WeakPolarHBondContact O-CA 3.4Å; F67-G540 PolarHBondContact O-N 3.25Å; F538-G540 PolarHBondContact O-N 2.94Å
541	Y	98.4	Very high	95	Very high	48 Å²	48	32.7 Å²	32.7	19%	0.188	17%	0.172	C	C	.	.	S	Bend	trans	-126.3	146.8	178.1	-61.4	-94.8	0	0	0	111.6	A493 L495 E501 V511 F512 K513 F535 F538	A493-Y541 HydrophobicContact CB-CE1 4.25Å; L495-Y541 HydrophobicContact CD1-CD1 4.48Å; L495-Y541 HydrophobicContact CD1-CD2 4.05Å; L495-Y541 HydrophobicContact CD1-CE2 4.22Å; L495-Y541 HydrophobicContact CD1-CG 4.2Å; L495-Y541 HydrophobicContact CD2-CE1 4.31Å; E501-Y541 PolarHBondContact OE2-OH 3.27Å; V511-Y541 HydrophobicContact CB-CD1 4.25Å; V511-Y541 HydrophobicContact CB-CG 4.44Å; V511-Y541 HydrophobicContact CG2-CD1 3.43Å; V511-Y541 VanDerWaalsContact CG2-CD1 3.43Å; V511-Y541 HydrophobicContact CG2-CE1 4.1Å; V511-Y541 HydrophobicContact CG2-CG 3.97Å; F512-Y541 WeakPolarHBondContact O-CA 3.13Å; K513-Y541 HydrophobicContact CB-CE1 4.45Å; K513-Y541 HydrophobicContact CD-CE1 4.39Å; K513-Y541 HydrophobicContact CG-CD1 4.07Å; K513-Y541 HydrophobicContact CG-CE1 3.77Å; F535-Y541 WeakPolarHBondContact CD1-O 3.49Å; F538-Y541 HydrophobicContact CB-CD2 4.24Å; F538-Y541 PolarHBondContact O-N 2.9Å
542	Y	98.3	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121	162.8	172.8	-87	0	0	0	109.6	Q461 E463 V511 F512 W516 M520 Y534 F535 T544	Q461-Y542 PolarHBondContact OE1-OH 3.01Å; E463-Y542 WeakPolarHBondContact CB-OH 3.23Å; V511-Y542 CarbonylContact C-O 3.59Å; V511-Y542 WeakPolarHBondContact CA-O 3.21Å; V511-Y542 WeakPolarHBondContact CB-O 3.38Å; F512-Y542 AromaticContact CD2-CD1 3.58Å; F512-Y542 HydrophobicContact CD2-CD1 3.58Å; F512-Y542 HydrophobicContact CD2-CE1 4.08Å; F512-Y542 HydrophobicContact CE2-CD1 4.3Å; F512-Y542 HydrophobicContact CE2-CE1 4.37Å; F512-Y542 PolarHBondContact N-O 3.22Å; F512-Y542 PolarHBondContact O-N 3.45Å; W516-Y542 HydrophobicContact CH2-CD1 4.3Å; W516-Y542 HydrophobicContact CH2-CE1 4.47Å; M520-Y542 HydrophobicContact CE-CE2 3.79Å; Y534-Y542 AromaticContact CD1-CE2 3.71Å; Y534-Y542 HydrophobicContact CD1-CE2 3.71Å; Y534-Y542 AromaticContact CD1-CZ 3.9Å; Y534-Y542 HydrophobicContact CE1-CE2 4.42Å; Y534-Y542 AromaticContact CG-CE2 3.92Å; Y534-Y542 HydrophobicContact CG-CE2 3.92Å; F535-Y542 HydrophobicContact CE1-CD2 4.01Å; F535-Y542 HydrophobicContact CE2-CD2 4.42Å; F535-Y542 AromaticContact CZ-CD2 3.73Å; F535-Y542 HydrophobicContact CZ-CD2 3.73Å; Y542-T544 HydrophobicContact CD1-CG2 4.16Å; Y542-T544 HydrophobicContact CE1-CG2 3.94Å
543	V	97.4	Very high	95	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117	179.1	-174	0	0	0	0	110	V511 Y534 K537 F538 G545	V511-V543 HydrophobicContact CG1-CG2 4.22Å; Y534-V543 WeakPolarHBondContact O-CB 3.47Å; Y534-V543 WeakPolarHBondContact O-CG2 3.45Å; Y534-V543 PolarHBondContact O-N 3.01Å; K537-V543 HydrophobicContact CB-CG2 4.38Å; F538-V543 HydrophobicContact CB-CG2 4.19Å; F538-V543 HydrophobicContact CD2-CG2 3.75Å; F538-V543 HydrophobicContact CG-CG2 4.4Å; V543-G545 VanDerWaalsContact C-N 3.32Å; V543-G545 PolarHBondContact O-N 2.9Å
544	T	95.2	Very high	95.2	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-28.9	-178.1	63.9	0	0	0	0	112.6	Q461 L510 F512 Y542 D546 R561	Q461-T544 PolarHBondContact NE2-O 2.83Å; L510-T544 HydrophobicContact CB-CG2 4.47Å; L510-T544 HydrophobicContact CD2-CG2 4.27Å; L510-T544 HydrophobicContact CG-CG2 3.99Å; L510-T544 WeakPolarHBondContact O-CB 3.49Å; L510-T544 WeakPolarHBondContact O-CG2 3.45Å; L510-T544 PolarHBondContact O-N 2.9Å; L510-T544 PolarHBondContact O-OG1 2.93Å; F512-T544 HydrophobicContact CD2-CG2 3.9Å; F512-T544 HydrophobicContact CE2-CG2 3.44Å; F512-T544 VanDerWaalsContact CE2-CG2 3.44Å; F512-T544 HydrophobicContact CZ-CG2 4Å; Y542-T544 HydrophobicContact CD1-CG2 4.16Å; Y542-T544 HydrophobicContact CE1-CG2 3.94Å; T544-D546 PolarHBondContact OG1-N 2.68Å; T544-D546 PolarHBondContact OG1-O 3.1Å; T544-R561 PolarHBondContact O-NH1 3.38Å; T544-R561 VanDerWaalsContact O-NH1 3.07Å
545	G	91.1	Very high	95.3	Very high	8 Å²	8	34.3 Å²	34.3	8%	0.082	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.7	13.1	-166.4	0	0	0	0	0	113.2	V543 R561 I562	V543-G545 VanDerWaalsContact C-N 3.32Å; V543-G545 PolarHBondContact O-N 2.9Å; G545-R561 WeakPolarHBondContact O-CA 3.37Å; G545-R561 PolarHBondContact O-NE 2.63Å; G545-R561 PolarHBondContact O-NH1 3.34Å; G545-I562 WeakPolarHBondContact O-CG1 3.28Å; G545-I562 PolarHBondContact O-N 3.08Å
546	D	89.9	Confident	95.3	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.08	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.3	171.9	-66.9	-75.7	0	0	0	109.4	F459 Q461 L510 T544 G560 R561 I562	F459-D546 HydrophobicContact CE2-CB 4.28Å; F459-D546 HydrophobicContact CZ-CB 4.06Å; Q461-D546 PolarHBondContact NE2-OD2 2.66Å; L510-D546 WeakPolarHBondContact CB-O 3.23Å; L510-D546 PolarHBondContact N-O 3.2Å; T544-D546 PolarHBondContact OG1-N 2.68Å; T544-D546 PolarHBondContact OG1-O 3.1Å; D546-G560 CarbonylContact C-O 3.57Å; D546-G560 WeakPolarHBondContact CA-O 3.47Å; D546-R561 VanDerWaalsContact OD1-CD 3.22Å; D546-R561 WeakPolarHBondContact OD1-CD 3Å; D546-R561 IonicContact OD2-NH1 3.52Å; D546-R561 PolarHBondContact OD2-NH1 2.87Å; D546-I562 VanDerWaalsContact C-CG2 3.45Å
547	G	89.1	Confident	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	156.2	167.2	0	0	0	0	0	110.5	G508 T559 G560 M565	G508-G547 CarbonylContact O-C 3.55Å; G508-G547 VanDerWaalsContact O-CA 3.28Å; G508-G547 WeakPolarHBondContact O-CA 3.34Å; G547-T559 PolarHBondContact O-N 3.03Å; G547-T559 VanDerWaalsContact O-N 3.08Å; G547-T559 PolarHBondContact O-OG1 2.86Å; G547-G560 PolarHBondContact N-O 2.8Å; G547-M565 VanDerWaalsContact CA-CE 3.44Å
548	C	92.3	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.3	177.7	74.9	0	0	0	0	112	I494 E507 G508 L510 W557 I558 T559	I494-C548 VanDerWaalsContact CD1-SG 3.53Å; I494-C548 VanDerWaalsContact CG1-SG 3.58Å; E507-C548 WeakPolarHBondContact CA-O 3.26Å; G508-C548 PolarHBondContact N-O 2.78Å; G508-C548 PolarHBondContact O-N 2.98Å; L510-C548 HydrophobicContact CB-CB 4.02Å; L510-C548 HydrophobicContact CD2-CB 4.38Å; C548-W557 CarbonylContact C-O 3.57Å; C548-W557 WeakPolarHBondContact CA-O 2.88Å; C548-W557 VanDerWaalsContact CB-O 3.31Å; C548-W557 WeakPolarHBondContact CB-O 3.24Å; C548-I558 HydrophobicContact CB-CD1 4.13Å; C548-T559 PolarHBondContact N-OG1 3.44Å
549	R	93.6	Very high	94.2	Very high	80 Å²	80	26.9 Å²	26.9	30%	0.302	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.6	169.4	-177.9	178.1	68.3	83.3	3.1	109.3	S506 E507 Y556 W557 T559	S506-R549 CarbonylContact O-C 3.28Å; S506-R549 WeakPolarHBondContact O-CA 3.09Å; E507-R549 HydrophobicContact CB-CB 4.24Å; E507-R549 HydrophobicContact CB-CG 4.29Å; E507-R549 HydrophobicContact CG-CB 4.24Å; R549-Y556 CarbonylContact O-C 3.6Å; R549-Y556 WeakPolarHBondContact O-CA 3.31Å; R549-W557 HydrophobicContact CB-CB 4.28Å; R549-W557 PolarHBondContact N-O 3.03Å; R549-W557 PolarHBondContact O-N 3.25Å; R549-T559 HydrophobicContact CB-CG2 4.21Å
550	R	96.6	Very high	93	Very high	14 Å²	14	24.9 Å²	24.9	5%	0.053	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.4	167.6	-176.1	171.7	63.9	-146.5	-5.3	109.1	I494 L502 G504 P505 S506 Y555 Y556	I494-R550 HydrophobicContact CD1-CB 3.51Å; L502-R550 PolarHBondContact O-NH2 3.15Å; G504-R550 VanDerWaalsContact O-CZ 3.3Å; G504-R550 PolarHBondContact O-NE 2.68Å; G504-R550 PolarHBondContact O-NH2 2.89Å; P505-R550 CarbonylContact C-O 3.51Å; P505-R550 VanDerWaalsContact CA-O 3.24Å; P505-R550 WeakPolarHBondContact CA-O 3.24Å; S506-R550 PolarHBondContact N-O 2.93Å; S506-R550 PolarHBondContact O-N 2.71Å; R550-Y555 VanDerWaalsContact CA-O 3.29Å; R550-Y555 WeakPolarHBondContact CA-O 3.28Å; R550-Y556 HydrophobicContact CG-CE2 4.37Å; R550-Y556 PolarHBondContact NH1-OH 3.01Å; R550-Y556 VanDerWaalsContact NH1-OH 3.15Å
551	D	94.9	Very high	92	Very high	16 Å²	16	28 Å²	28	9%	0.086	13%	0.128	C	C	.	.			trans	-87.4	178.5	178.2	75.2	15.5	0	0	0	113.1	K479 D553 G554 Y555 W557	K479-D551 IonicContact NZ-OD1 2.8Å; K479-D551 IonicContact NZ-OD2 2.69Å; K479-D551 PolarHBondContact NZ-OD2 2.92Å; D551-D553 PolarHBondContact O-N 3.38Å; D551-D553 WeakPolarHBondContact OD1-CA 3.32Å; D551-D553 WeakPolarHBondContact OD1-CB 3.48Å; D551-D553 PolarHBondContact OD1-N 3.45Å; D551-G554 PolarHBondContact O-N 2.65Å; D551-G554 PolarHBondContact OD1-N 2.82Å; D551-G554 VanDerWaalsContact OD1-N 3.07Å; D551-Y555 PolarHBondContact N-O 3.08Å; D551-Y555 PolarHBondContact OD1-N 2.87Å; D551-W557 PolarHBondContact OD2-NE1 3.42Å
552	K	94.4	Very high	90.8	Very high	159 Å²	159	27.2 Å²	27.2	69%	0.691	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.6	178.7	66	172.9	-172.4	172.1	0	114.4	P505 G554	P505-K552 HydrophobicContact CG-CB 4.16Å; K552-G554 VanDerWaalsContact C-N 3.33Å
553	D	95.1	Very high	89.2	Confident	42 Å²	42	30.5 Å²	30.5	23%	0.225	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	4.7	179.7	-55.7	-44.2	0	0	0	111.2	P3 P7 K479 D551 Y555	P3-D553 WeakPolarHBondContact CD-O 3.41Å; P3-D553 WeakPolarHBondContact CG-O 3.25Å; P7-D553 HydrophobicContact CB-CB 4.28Å; P7-D553 HydrophobicContact CG-CB 3.89Å; K479-D553 IonicContact NZ-OD2 2.84Å; K479-D553 PolarHBondContact NZ-OD2 3.19Å; D551-D553 PolarHBondContact O-N 3.38Å; D551-D553 WeakPolarHBondContact OD1-CA 3.32Å; D551-D553 WeakPolarHBondContact OD1-CB 3.48Å; D551-D553 PolarHBondContact OD1-N 3.45Å; D553-Y555 HydrophobicContact CB-CD2 3.82Å; D553-Y555 HydrophobicContact CB-CE2 4.06Å
554	G	95.7	Very high	87.6	Confident	6 Å²	6	31.6 Å²	31.6	6%	0.062	15%	0.15	C	C	.	.			trans	81.8	8.1	177.6	0	0	0	0	0	115	D551 K552 Y556	D551-G554 PolarHBondContact O-N 2.65Å; D551-G554 PolarHBondContact OD1-N 2.82Å; D551-G554 VanDerWaalsContact OD1-N 3.07Å; K552-G554 VanDerWaalsContact C-N 3.33Å; G554-Y556 WeakPolarHBondContact O-CD2 3.14Å
555	Y	97.4	Very high	86	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.			trans	-73.7	136.9	177.9	-77.1	-109.8	0	0	0	110.9	P7 P477 K479 S482 T484 F485 R550 D551 D553	P7-Y555 HydrophobicContact CB-CE2 4.27Å; P7-Y555 HydrophobicContact CG-CE2 3.91Å; P477-Y555 WeakPolarHBondContact O-CE1 3.37Å; P477-Y555 VanDerWaalsContact O-CZ 3.29Å; P477-Y555 PolarHBondContact O-OH 3.07Å; K479-Y555 HydrophobicContact CB-CD1 4.31Å; K479-Y555 HydrophobicContact CB-CE1 4.45Å; K479-Y555 HydrophobicContact CD-CD1 4.03Å; K479-Y555 HydrophobicContact CD-CD2 4.11Å; K479-Y555 HydrophobicContact CD-CE1 4.31Å; K479-Y555 HydrophobicContact CD-CE2 4.31Å; K479-Y555 HydrophobicContact CD-CG 3.97Å; K479-Y555 HydrophobicContact CG-CD1 4Å; K479-Y555 HydrophobicContact CG-CE1 3.91Å; K479-Y555 HydrophobicContact CG-CG 4.44Å; S482-Y555 WeakPolarHBondContact OG-CD1 3.44Å; T484-Y555 HydrophobicContact CG2-CD1 3.78Å; T484-Y555 HydrophobicContact CG2-CE1 3.61Å; F485-Y555 HydrophobicContact CE1-CD2 4.16Å; F485-Y555 HydrophobicContact CE1-CE2 4.25Å; F485-Y555 HydrophobicContact CE2-CE1 4.01Å; F485-Y555 AromaticContact CE2-CE2 3.98Å; F485-Y555 HydrophobicContact CE2-CE2 3.98Å; F485-Y555 AromaticContact CE2-CZ 3.66Å; F485-Y555 AromaticContact CZ-CD2 3.77Å; F485-Y555 HydrophobicContact CZ-CD2 3.77Å; F485-Y555 HydrophobicContact CZ-CE1 4.2Å; F485-Y555 AromaticContact CZ-CE2 3.41Å; F485-Y555 HydrophobicContact CZ-CE2 3.41Å; F485-Y555 VanDerWaalsContact CZ-CE2 3.41Å; F485-Y555 HydrophobicContact CZ-CG 4.31Å; F485-Y555 AromaticContact CZ-CZ 3.61Å; R550-Y555 VanDerWaalsContact CA-O 3.29Å; R550-Y555 WeakPolarHBondContact CA-O 3.28Å; D551-Y555 PolarHBondContact N-O 3.08Å; D551-Y555 PolarHBondContact OD1-N 2.87Å; D553-Y555 HydrophobicContact CB-CD2 3.82Å; D553-Y555 HydrophobicContact CB-CE2 4.06Å
556	Y	97.3	Very high	85	Confident	5 Å²	5	31.9 Å²	31.9	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.7	174.4	-73.1	-101	0	0	0	111.1	L469 S482 A483 T484 P492 I494 L510 R549 R550 G554	L469-Y556 HydrophobicContact CD1-CD1 4.2Å; L469-Y556 HydrophobicContact CD1-CG 4.1Å; S482-Y556 PolarHBondContact OG-O 3.34Å; A483-Y556 PolarHBondContact N-O 2.93Å; A483-Y556 VanDerWaalsContact N-O 3.12Å; T484-Y556 PolarHBondContact O-N 3.19Å; P492-Y556 HydrophobicContact CB-CE1 3.83Å; P492-Y556 HydrophobicContact CG-CE1 4.11Å; P492-Y556 HydrophobicContact CG-CE2 4Å; P492-Y556 PolarHBondContact O-OH 2.91Å; I494-Y556 HydrophobicContact CD1-CE1 4.3Å; I494-Y556 HydrophobicContact CG1-CE1 4.22Å; L510-Y556 HydrophobicContact CD1-CD1 4.37Å; L510-Y556 HydrophobicContact CD1-CE1 4.36Å; R549-Y556 CarbonylContact O-C 3.6Å; R549-Y556 WeakPolarHBondContact O-CA 3.31Å; R550-Y556 HydrophobicContact CG-CE2 4.37Å; R550-Y556 PolarHBondContact NH1-OH 3.01Å; R550-Y556 VanDerWaalsContact NH1-OH 3.15Å; G554-Y556 WeakPolarHBondContact O-CD2 3.14Å
557	W	94.3	Very high	83.8	Confident	46 Å²	46	34.4 Å²	34.4	17%	0.174	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.1	177.6	-61.9	81.5	0	0	0	107.9	K479 P480 G481 C548 R549 D551 T559	K479-W557 HydrophobicContact CB-CH2 3.89Å; K479-W557 HydrophobicContact CB-CZ2 3.74Å; K479-W557 HydrophobicContact CD-CZ2 3.97Å; P480-W557 VanDerWaalsContact O-CH2 3.24Å; P480-W557 WeakPolarHBondContact O-CH2 3.34Å; P480-W557 WeakPolarHBondContact O-CZ3 3.36Å; G481-W557 VanDerWaalsContact C-CZ3 3.41Å; G481-W557 VanDerWaalsContact O-CE3 3.31Å; C548-W557 CarbonylContact C-O 3.57Å; C548-W557 WeakPolarHBondContact CA-O 2.88Å; C548-W557 VanDerWaalsContact CB-O 3.31Å; C548-W557 WeakPolarHBondContact CB-O 3.24Å; R549-W557 HydrophobicContact CB-CB 4.28Å; R549-W557 PolarHBondContact N-O 3.03Å; R549-W557 PolarHBondContact O-N 3.25Å; D551-W557 PolarHBondContact OD2-NE1 3.42Å; W557-T559 PolarHBondContact O-N 2.79Å
558	I	90.7	Very high	82.5	Confident	26 Å²	26	34.4 Å²	34.4	13%	0.133	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	114.1	179.5	-54.3	-59.6	0	0	0	107.9	F459 L469 A483 L510 C548	F459-I558 HydrophobicContact CB-CD1 4.29Å; F459-I558 HydrophobicContact CB-CG1 3.87Å; F459-I558 HydrophobicContact CD1-CD1 3.78Å; F459-I558 HydrophobicContact CD1-CG1 4.24Å; F459-I558 HydrophobicContact CD2-CB 4.25Å; F459-I558 HydrophobicContact CD2-CD1 3.77Å; F459-I558 HydrophobicContact CD2-CG1 3.5Å; F459-I558 VanDerWaalsContact CD2-CG1 3.5Å; F459-I558 HydrophobicContact CD2-CG2 3.93Å; F459-I558 HydrophobicContact CE1-CD1 4Å; F459-I558 HydrophobicContact CE2-CD1 3.96Å; F459-I558 HydrophobicContact CE2-CG1 4.06Å; F459-I558 HydrophobicContact CE2-CG2 3.84Å; F459-I558 HydrophobicContact CG-CD1 3.65Å; F459-I558 HydrophobicContact CG-CG1 3.58Å; F459-I558 HydrophobicContact CZ-CD1 4.07Å; L469-I558 HydrophobicContact CD1-CD1 4.04Å; A483-I558 HydrophobicContact CB-CG1 4.46Å; L510-I558 HydrophobicContact CD2-CD1 3.74Å; C548-I558 HydrophobicContact CB-CD1 4.13Å
559	T	80.7	Confident	81	Confident	10 Å²	10	37.3 Å²	37.3	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-2.5	-174.5	49.8	0	0	0	0	112.3	G547 C548 R549 W557 M565 S574	G547-T559 PolarHBondContact O-N 3.03Å; G547-T559 VanDerWaalsContact O-N 3.08Å; G547-T559 PolarHBondContact O-OG1 2.86Å; C548-T559 PolarHBondContact N-OG1 3.44Å; R549-T559 HydrophobicContact CB-CG2 4.21Å; W557-T559 PolarHBondContact O-N 2.79Å; T559-M565 WeakPolarHBondContact OG1-CE 3.28Å; T559-S574 PolarHBondContact O-OG 2.92Å
560	G	73.5	Confident	78.7	Confident	13 Å²	13	36.5 Å²	36.5	13%	0.134	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.7	-173.1	173.1	0	0	0	0	0	113.1	D546 G547	D546-G560 CarbonylContact C-O 3.57Å; D546-G560 WeakPolarHBondContact CA-O 3.47Å; G547-G560 PolarHBondContact N-O 2.8Å
561	R	76.2	Confident	76.7	Confident	90 Å²	90	41.1 Å²	41.1	34%	0.34	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.7	178.2	-67.2	-66.4	-64.6	169.5	5.7	109.9	T544 G545 D546 D563 D564 M565	T544-R561 PolarHBondContact O-NH1 3.38Å; T544-R561 VanDerWaalsContact O-NH1 3.07Å; G545-R561 WeakPolarHBondContact O-CA 3.37Å; G545-R561 PolarHBondContact O-NE 2.63Å; G545-R561 PolarHBondContact O-NH1 3.34Å; D546-R561 VanDerWaalsContact OD1-CD 3.22Å; D546-R561 WeakPolarHBondContact OD1-CD 3Å; D546-R561 IonicContact OD2-NH1 3.52Å; D546-R561 PolarHBondContact OD2-NH1 2.87Å; R561-D563 IonicContact NE-OD2 3.61Å; R561-D563 IonicContact NH2-OD2 3.9Å; R561-D563 PolarHBondContact NH2-OD2 2.88Å; R561-D563 PolarHBondContact O-N 2.94Å; R561-D564 HydrophobicContact CB-CB 4.15Å; R561-D564 CarbonylContact O-C 3.55Å; R561-D564 WeakPolarHBondContact O-CA 3.42Å; R561-D564 WeakPolarHBondContact O-CB 3.34Å; R561-D564 PolarHBondContact O-N 2.99Å; R561-M565 PolarHBondContact O-N 2.76Å
562	I	73.8	Confident	74.9	Confident	30 Å²	30	43.5 Å²	43.5	15%	0.154	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.5	-31.4	173.3	65.9	-178.5	0	0	0	111.7	Y509 G545 D546 D564 M565	Y509-I562 HydrophobicContact CD1-CB 4.41Å; Y509-I562 HydrophobicContact CD1-CD1 3.94Å; Y509-I562 HydrophobicContact CD1-CG2 3.74Å; Y509-I562 HydrophobicContact CE1-CB 3.97Å; Y509-I562 HydrophobicContact CE1-CD1 3.66Å; Y509-I562 HydrophobicContact CE1-CG1 4.35Å; Y509-I562 HydrophobicContact CE1-CG2 3.76Å; G545-I562 WeakPolarHBondContact O-CG1 3.28Å; G545-I562 PolarHBondContact O-N 3.08Å; D546-I562 VanDerWaalsContact C-CG2 3.45Å; I562-D564 PolarHBondContact O-N 3.18Å; I562-M565 HydrophobicContact CG2-SD 4.14Å; I562-M565 WeakPolarHBondContact O-CB 3.33Å; I562-M565 PolarHBondContact O-N 3.03Å
563	D	64.9	Low	73.5	Confident	69 Å²	69	36.5 Å²	36.5	37%	0.369	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-62.7	-25.8	175.1	-56.7	-42.5	0	0	0	111	R561 R662	R561-D563 IonicContact NE-OD2 3.61Å; R561-D563 IonicContact NH2-OD2 3.9Å; R561-D563 PolarHBondContact NH2-OD2 2.88Å; R561-D563 PolarHBondContact O-N 2.94Å; D563-R662 PolarHBondContact O-NH1 2.84Å; D563-R662 PolarHBondContact O-NH2 3.24Å
564	D	62.1	Low	72.3	Confident	31 Å²	31	34.5 Å²	34.5	17%	0.166	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-99.6	3.1	175.5	-64.4	-37	0	0	0	112.5	R561 I562 T575 R662	R561-D564 HydrophobicContact CB-CB 4.15Å; R561-D564 CarbonylContact O-C 3.55Å; R561-D564 WeakPolarHBondContact O-CA 3.42Å; R561-D564 WeakPolarHBondContact O-CB 3.34Å; R561-D564 PolarHBondContact O-N 2.99Å; I562-D564 PolarHBondContact O-N 3.18Å; D564-T575 WeakPolarHBondContact O-CG2 3.06Å; D564-T575 PolarHBondContact O-OG1 2.81Å; D564-R662 IonicContact OD1-NH2 2.71Å; D564-R662 PolarHBondContact OD1-NH2 3.13Å
565	M	63.1	Low	71.5	Confident	16 Å²	16	34.4 Å²	34.4	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	148.3	169.3	-72	-176.3	159.5	0	0	110	G547 T559 R561 I562 L572	G547-M565 VanDerWaalsContact CA-CE 3.44Å; T559-M565 WeakPolarHBondContact OG1-CE 3.28Å; R561-M565 PolarHBondContact O-N 2.76Å; I562-M565 HydrophobicContact CG2-SD 4.14Å; I562-M565 WeakPolarHBondContact O-CB 3.33Å; I562-M565 PolarHBondContact O-N 3.03Å; M565-L572 HydrophobicContact CB-CD2 4.34Å
566	L	70.1	Confident	70.2	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.8	-172	-60.4	166.4	0	0	0	109.6	V568 L572 L573 T575 V593 E603 L605	L566-V568 HydrophobicContact CB-CG2 3.98Å; L566-V568 PolarHBondContact O-N 2.96Å; L566-L572 CarbonylContact O-C 3.48Å; L566-L572 WeakPolarHBondContact O-CA 3.39Å; L566-L573 HydrophobicContact CB-CB 4.45Å; L566-L573 PolarHBondContact N-O 2.98Å; L566-L573 PolarHBondContact O-N 2.83Å; L566-T575 HydrophobicContact CD1-CG2 3.53Å; L566-T575 HydrophobicContact CG-CG2 3.89Å; L566-V593 HydrophobicContact CD1-CG1 4.44Å; L566-E603 WeakPolarHBondContact CA-OE2 3.33Å; L566-L605 HydrophobicContact CD1-CD2 3.18Å; L566-L605 HydrophobicContact CD1-CG 4.03Å
567	N	63.6	Low	68.8	Low	68 Å²	68	38.3 Å²	38.3	36%	0.364	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	93.4	166	-168.7	-29.1	0	0	0	109.7	G570 H571 E603	N567-G570 VanDerWaalsContact OD1-C 3.31Å; N567-G570 WeakPolarHBondContact OD1-CA 3.45Å; N567-G570 PolarHBondContact OD1-N 2.81Å; N567-H571 WeakPolarHBondContact CA-O 3.5Å; N567-H571 PolarHBondContact OD1-N 3.28Å; N567-E603 PolarHBondContact N-OE2 3.47Å; N567-E603 WeakPolarHBondContact O-CB 3.33Å; N567-E603 PolarHBondContact O-N 2.93Å
568	V	62.3	Low	68.2	Low	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105.7	176.8	-173.5	0	0	0	0	108.5	L566 G570 H571 K601 I636	L566-V568 HydrophobicContact CB-CG2 3.98Å; L566-V568 PolarHBondContact O-N 2.96Å; V568-G570 VanDerWaalsContact C-N 3.31Å; V568-G570 PolarHBondContact O-N 3.37Å; V568-H571 PolarHBondContact N-O 3.39Å; V568-H571 PolarHBondContact O-N 3.39Å; V568-H571 VanDerWaalsContact O-N 3.14Å; V568-K601 HydrophobicContact CG1-CB 4.3Å; V568-K601 HydrophobicContact CG1-CD 3.96Å; V568-I636 HydrophobicContact CG1-CD1 4.18Å; V568-I636 HydrophobicContact CG1-CG1 4.48Å
569	S	59.8	Low	68	Low	62 Å²	62	35.9 Å²	35.9	43%	0.434	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	43.9	179.8	-60.1	0	0	0	0	113.6	H571 K601	S569-H571 VanDerWaalsContact C-N 3.34Å; S569-H571 PolarHBondContact O-ND1 3.05Å; S569-K601 PolarHBondContact N-O 3.21Å
570	G	46.9	Very low	67.7	Low	63 Å²	63	37.7 Å²	37.7	65%	0.649	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-2.6	178.8	0	0	0	0	0	115	N567 V568	N567-G570 VanDerWaalsContact OD1-C 3.31Å; N567-G570 WeakPolarHBondContact OD1-CA 3.45Å; N567-G570 PolarHBondContact OD1-N 2.81Å; V568-G570 VanDerWaalsContact C-N 3.31Å; V568-G570 PolarHBondContact O-N 3.37Å
571	H	53.1	Low	68.1	Low	111 Å²	111	37.2 Å²	37.2	51%	0.514	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.6	-179.7	-58.7	76.5	0	0	0	109.9	N567 V568 S569 L573 I636	N567-H571 WeakPolarHBondContact CA-O 3.5Å; N567-H571 PolarHBondContact OD1-N 3.28Å; V568-H571 PolarHBondContact N-O 3.39Å; V568-H571 PolarHBondContact O-N 3.39Å; V568-H571 VanDerWaalsContact O-N 3.14Å; S569-H571 VanDerWaalsContact C-N 3.34Å; S569-H571 PolarHBondContact O-ND1 3.05Å; H571-L573 PolarHBondContact O-N 2.59Å; H571-I636 HydrophobicContact CB-CG1 4.3Å
572	L	56.9	Low	68.7	Low	65 Å²	65	32.9 Å²	32.9	34%	0.34	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.3	168.7	-77.8	168	0	0	0	108.8	Y509 M565 L566	Y509-L572 HydrophobicContact CE2-CD1 4.1Å; M565-L572 HydrophobicContact CB-CD2 4.34Å; L566-L572 CarbonylContact O-C 3.48Å; L566-L572 WeakPolarHBondContact O-CA 3.39Å
573	L	65.5	Low	69.4	Low	12 Å²	12	33.5 Å²	33.5	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.4	-179	-173.9	71.6	0	0	0	109.8	L566 H571 V578 L605 I633 A637	L566-L573 HydrophobicContact CB-CB 4.45Å; L566-L573 PolarHBondContact N-O 2.98Å; L566-L573 PolarHBondContact O-N 2.83Å; H571-L573 PolarHBondContact O-N 2.59Å; L573-V578 HydrophobicContact CD2-CG2 3.99Å; L573-V578 HydrophobicContact CG-CG2 4.38Å; L573-L605 HydrophobicContact CD2-CD1 3.7Å; L573-L605 HydrophobicContact CD2-CD2 4.07Å; L573-L605 HydrophobicContact CD2-CG 4.25Å; L573-I633 HydrophobicContact CD1-CG2 4.31Å; L573-A637 HydrophobicContact CD1-CB 3.96Å; L573-A637 HydrophobicContact CD2-CB 3.72Å; L573-A637 HydrophobicContact CG-CB 4.5Å
574	S	70	Confident	70.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.4	173.9	171.7	0	0	0	0	111.1	T559 A576 E577	T559-S574 PolarHBondContact O-OG 2.92Å; S574-A576 VanDerWaalsContact C-N 3.26Å; S574-A576 PolarHBondContact O-N 3.34Å; S574-A576 WeakPolarHBondContact OG-CB 3.47Å; S574-A576 PolarHBondContact OG-N 3.02Å; S574-A576 VanDerWaalsContact OG-N 3.07Å; S574-E577 PolarHBondContact O-N 2.85Å; S574-E577 PolarHBondContact OG-N 3.2Å
575	T	78.3	Confident	71.7	Confident	5 Å²	5	35 Å²	35	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-34.6	168	41.9	0	0	0	0	111.9	D564 L566 E577 V578 E579 V593	D564-T575 WeakPolarHBondContact O-CG2 3.06Å; D564-T575 PolarHBondContact O-OG1 2.81Å; L566-T575 HydrophobicContact CD1-CG2 3.53Å; L566-T575 HydrophobicContact CG-CG2 3.89Å; T575-E577 PolarHBondContact O-N 2.84Å; T575-V578 PolarHBondContact O-N 3.48Å; T575-E579 WeakPolarHBondContact O-CB 3.46Å; T575-E579 VanDerWaalsContact O-CG 3.23Å; T575-E579 WeakPolarHBondContact O-CG 3.38Å; T575-E579 PolarHBondContact O-N 2.78Å; T575-V593 HydrophobicContact CG2-CB 4.05Å; T575-V593 HydrophobicContact CG2-CG1 3.94Å; T575-V593 VanDerWaalsContact CG2-O 3.29Å; T575-V593 WeakPolarHBondContact CG2-O 3.36Å
576	A	70.5	Confident	73	Confident	24 Å²	24	42.4 Å²	42.4	20%	0.198	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-33.3	-179.2	0	0	0	0	0	113.2	S574 S580	S574-A576 VanDerWaalsContact C-N 3.26Å; S574-A576 PolarHBondContact O-N 3.34Å; S574-A576 WeakPolarHBondContact OG-CB 3.47Å; S574-A576 PolarHBondContact OG-N 3.02Å; S574-A576 VanDerWaalsContact OG-N 3.07Å; A576-S580 WeakPolarHBondContact O-CB 3.34Å; A576-S580 PolarHBondContact O-N 2.56Å; A576-S580 PolarHBondContact O-OG 3.34Å
577	E	68.9	Low	74.1	Confident	63 Å²	63	43.1 Å²	43.1	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-65.6	-44.7	174.5	-70.2	-175.8	152	0	0	111.1	S574 T575 S580 A581 I633	S574-E577 PolarHBondContact O-N 2.85Å; S574-E577 PolarHBondContact OG-N 3.2Å; T575-E577 PolarHBondContact O-N 2.84Å; E577-S580 PolarHBondContact O-N 3.13Å; E577-A581 WeakPolarHBondContact O-CB 3.45Å; E577-A581 PolarHBondContact O-N 3.15Å; E577-I633 HydrophobicContact CB-CD1 4.15Å; E577-I633 WeakPolarHBondContact O-CD1 3.43Å
578	V	81.1	Confident	75.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-42.5	176.3	-176.5	0	0	0	0	111.1	L573 T575 S580 A581 L582 V593 L605 V629 I633 A637 P639	L573-V578 HydrophobicContact CD2-CG2 3.99Å; L573-V578 HydrophobicContact CG-CG2 4.38Å; T575-V578 PolarHBondContact O-N 3.48Å; V578-S580 PolarHBondContact O-N 3.07Å; V578-A581 PolarHBondContact O-N 3.28Å; V578-L582 HydrophobicContact CG1-CD1 4.17Å; V578-L582 VanDerWaalsContact O-CG 3.31Å; V578-L582 WeakPolarHBondContact O-CG 3.24Å; V578-L582 PolarHBondContact O-N 2.93Å; V578-V593 HydrophobicContact CB-CG1 4.38Å; V578-V593 HydrophobicContact CB-CG2 4.07Å; V578-V593 HydrophobicContact CG1-CG1 4.27Å; V578-V593 HydrophobicContact CG1-CG2 3.81Å; V578-L605 HydrophobicContact CG1-CD2 4.45Å; V578-L605 HydrophobicContact CG2-CD1 4.47Å; V578-L605 HydrophobicContact CG2-CD2 4.03Å; V578-V629 HydrophobicContact CG1-CG1 4.08Å; V578-V629 HydrophobicContact CG1-CG2 4.44Å; V578-I633 HydrophobicContact CB-CD1 4.37Å; V578-I633 HydrophobicContact CG2-CD1 3.96Å; V578-A637 HydrophobicContact CG2-CB 4.34Å; V578-P639 HydrophobicContact CG1-CG 4.49Å
579	E	86	Confident	76.7	Confident	21 Å²	21	42 Å²	42	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-46.9	174	-72.3	170.7	-176.4	0	0	111.4	T575 L582 V583 A592 V593 R658	T575-E579 WeakPolarHBondContact O-CB 3.46Å; T575-E579 VanDerWaalsContact O-CG 3.23Å; T575-E579 WeakPolarHBondContact O-CG 3.38Å; T575-E579 PolarHBondContact O-N 2.78Å; E579-L582 PolarHBondContact O-N 2.67Å; E579-V583 WeakPolarHBondContact O-CG2 3.3Å; E579-V583 PolarHBondContact O-N 3.1Å; E579-A592 WeakPolarHBondContact OE1-CA 3.29Å; E579-V593 HydrophobicContact CB-CG2 4.49Å; E579-V593 HydrophobicContact CG-CB 3.96Å; E579-V593 HydrophobicContact CG-CG2 3.54Å; E579-V593 PolarHBondContact OE1-N 2.91Å; E579-R658 IonicContact OE1-CZ 3.73Å; E579-R658 IonicContact OE1-NE 3.89Å; E579-R658 PolarHBondContact OE1-NE 3.15Å; E579-R658 IonicContact OE1-NH2 2.81Å; E579-R658 PolarHBondContact OE1-NH2 3.02Å; E579-R658 IonicContact OE2-CZ 2.81Å; E579-R658 IonicContact OE2-NH2 2.68Å; E579-R658 PolarHBondContact OE2-NH2 3.01Å
580	S	76.1	Confident	78.2	Confident	47 Å²	47	42.3 Å²	42.3	33%	0.329	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-45.9	178.8	-60.1	0	0	0	0	111.2	A576 E577 V578 L582 V583 E584	A576-S580 WeakPolarHBondContact O-CB 3.34Å; A576-S580 PolarHBondContact O-N 2.56Å; A576-S580 PolarHBondContact O-OG 3.34Å; E577-S580 PolarHBondContact O-N 3.13Å; V578-S580 PolarHBondContact O-N 3.07Å; S580-L582 VanDerWaalsContact C-N 3.26Å; S580-L582 PolarHBondContact O-N 2.84Å; S580-V583 PolarHBondContact O-N 3.28Å; S580-E584 WeakPolarHBondContact O-CG 3.26Å; S580-E584 PolarHBondContact O-N 3.37Å; S580-E584 VanDerWaalsContact O-N 3.15Å
581	A	80.4	Confident	80.3	Confident	3 Å²	3	39.7 Å²	39.7	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-34	176.8	0	0	0	0	0	112.4	E577 V578 Q628 V629 K632 I633	E577-A581 WeakPolarHBondContact O-CB 3.45Å; E577-A581 PolarHBondContact O-N 3.15Å; V578-A581 PolarHBondContact O-N 3.28Å; A581-Q628 PolarHBondContact O-NE2 3.37Å; A581-V629 HydrophobicContact CB-CG2 4.27Å; A581-K632 HydrophobicContact CB-CB 4.35Å; A581-K632 HydrophobicContact CB-CD 4.28Å; A581-I633 HydrophobicContact CB-CD1 3.8Å; A581-I633 HydrophobicContact CB-CG1 4.09Å
582	L	89.4	Confident	82.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.9	-44.8	175.6	-72.3	167.2	0	0	0	112.4	V578 E579 S580 E584 H585 V588 A591 V593 C607 V609 L625 V629	V578-L582 HydrophobicContact CG1-CD1 4.17Å; V578-L582 VanDerWaalsContact O-CG 3.31Å; V578-L582 WeakPolarHBondContact O-CG 3.24Å; V578-L582 PolarHBondContact O-N 2.93Å; E579-L582 PolarHBondContact O-N 2.67Å; S580-L582 VanDerWaalsContact C-N 3.26Å; S580-L582 PolarHBondContact O-N 2.84Å; L582-E584 VanDerWaalsContact C-N 3.26Å; L582-E584 PolarHBondContact O-N 3.22Å; L582-H585 VanDerWaalsContact O-CB 3.3Å; L582-H585 WeakPolarHBondContact O-CB 3.14Å; L582-H585 PolarHBondContact O-N 3.22Å; L582-H585 VanDerWaalsContact O-N 3.07Å; L582-V588 WeakPolarHBondContact O-CB 3.49Å; L582-A591 HydrophobicContact CB-CB 3.77Å; L582-A591 HydrophobicContact CD1-CB 3.98Å; L582-V593 HydrophobicContact CD1-CG2 4.07Å; L582-C607 HydrophobicContact CD1-CB 3.89Å; L582-V609 HydrophobicContact CD1-CG1 4.24Å; L582-L625 HydrophobicContact CD2-CB 3.99Å; L582-L625 HydrophobicContact CD2-CD2 4.31Å; L582-V629 HydrophobicContact CD2-CG2 3.59Å; L582-V629 HydrophobicContact CG-CG2 3.78Å
583	V	89.3	Confident	83.7	Confident	42 Å²	42	31.3 Å²	31.3	26%	0.255	17%	0.167	S	C	.	.	H	α-helix	trans	-65.8	-27.7	-177.1	171.2	0	0	0	0	112.4	E579 S580 H585 V588 A591	E579-V583 WeakPolarHBondContact O-CG2 3.3Å; E579-V583 PolarHBondContact O-N 3.1Å; S580-V583 PolarHBondContact O-N 3.28Å; V583-H585 PolarHBondContact O-N 3.3Å; V583-H585 VanDerWaalsContact O-N 3.13Å; V583-V588 HydrophobicContact CG2-CG1 4.34Å; V583-A591 HydrophobicContact CG2-CB 3.93Å
584	E	83.1	Confident	84.8	Confident	125 Å²	125	30.8 Å²	30.8	58%	0.584	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.2	173.6	-74.7	-177.6	-111.6	0	0	113.9	S580 L582 K632	S580-E584 WeakPolarHBondContact O-CG 3.26Å; S580-E584 PolarHBondContact O-N 3.37Å; S580-E584 VanDerWaalsContact O-N 3.15Å; L582-E584 VanDerWaalsContact C-N 3.26Å; L582-E584 PolarHBondContact O-N 3.22Å; E584-K632 IonicContact OE1-NZ 3.19Å; E584-K632 IonicContact OE2-NZ 3.37Å; E584-K632 PolarHBondContact OE2-NZ 3.39Å
585	H	91.6	Very high	85.5	Confident	7 Å²	7	31.2 Å²	31.2	3%	0.032	17%	0.167	C	C	.	.	S	Bend	trans	-76	125.6	174.2	-171.2	-83.6	0	0	0	110.2	L582 V583 S587 V588 L621 E624 L625 Q628	L582-H585 VanDerWaalsContact O-CB 3.3Å; L582-H585 WeakPolarHBondContact O-CB 3.14Å; L582-H585 PolarHBondContact O-N 3.22Å; L582-H585 VanDerWaalsContact O-N 3.07Å; V583-H585 PolarHBondContact O-N 3.3Å; V583-H585 VanDerWaalsContact O-N 3.13Å; H585-S587 PolarHBondContact CE1-OG 2.89Å; H585-S587 VanDerWaalsContact CE1-OG 3.27Å; H585-S587 VanDerWaalsContact ND1-CB 3.34Å; H585-S587 WeakPolarHBondContact ND1-CB 3.37Å; H585-S587 PolarHBondContact ND1-N 3.48Å; H585-S587 VanDerWaalsContact ND1-N 3.2Å; H585-S587 PolarHBondContact O-N 3.33Å; H585-V588 HydrophobicContact CB-CG2 4.1Å; H585-V588 PolarHBondContact O-N 3.2Å; H585-L621 VanDerWaalsContact CE1-CD1 3.44Å; H585-L621 WeakPolarHBondContact CE1-CD1 3.49Å; H585-E624 IonicContact CE1-OE2 2.66Å; H585-E624 IonicContact NE2-OE1 2.83Å; H585-E624 PolarHBondContact NE2-OE1 2.94Å; H585-E624 IonicContact NE2-OE2 2.71Å; H585-L625 HydrophobicContact CB-CD2 3.59Å; H585-L625 VanDerWaalsContact CG-CD2 3.5Å; H585-Q628 PolarHBondContact CD2-OE1 2.98Å; H585-Q628 VanDerWaalsContact N-NE2 3.17Å
586	K	91	Very high	85.8	Confident	172 Å²	172	31 Å²	31	75%	0.748	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-23.4	-176.5	66.6	-177.4	177.1	-176	0	116.3	N612	K586-N612 PolarHBondContact O-ND2 3.36Å
587	S	93.3	Very high	86.1	Confident	15 Å²	15	32.9 Å²	32.9	11%	0.105	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15.5	179.7	-59.7	0	0	0	0	113.9	H585 L611 N612	H585-S587 PolarHBondContact CE1-OG 2.89Å; H585-S587 VanDerWaalsContact CE1-OG 3.27Å; H585-S587 VanDerWaalsContact ND1-CB 3.34Å; H585-S587 WeakPolarHBondContact ND1-CB 3.37Å; H585-S587 PolarHBondContact ND1-N 3.48Å; H585-S587 VanDerWaalsContact ND1-N 3.2Å; H585-S587 PolarHBondContact O-N 3.33Å; S587-L611 CarbonylContact O-C 3.32Å; S587-L611 VanDerWaalsContact O-CA 3.24Å; S587-L611 WeakPolarHBondContact O-CA 3.47Å; S587-L611 WeakPolarHBondContact O-CB 3.29Å; S587-L611 WeakPolarHBondContact O-CD2 3.23Å; S587-N612 PolarHBondContact O-N 2.91Å
588	V	91.6	Very high	86.6	Confident	7 Å²	7	31.8 Å²	31.8	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.8	-174	179.8	0	0	0	0	108.9	L582 V583 H585 E590 A591 L611 N612 L625	L582-V588 WeakPolarHBondContact O-CB 3.49Å; V583-V588 HydrophobicContact CG2-CG1 4.34Å; H585-V588 HydrophobicContact CB-CG2 4.1Å; H585-V588 PolarHBondContact O-N 3.2Å; V588-E590 WeakPolarHBondContact CG1-O 3.46Å; V588-A591 HydrophobicContact CG1-CB 4.43Å; V588-L611 HydrophobicContact CG2-CD2 4.26Å; V588-N612 PolarHBondContact O-ND2 3.28Å; V588-L625 HydrophobicContact CG2-CD1 4.17Å; V588-L625 HydrophobicContact CG2-CD2 3.59Å
589	A	87.3	Confident	86.1	Confident	39 Å²	39	40.2 Å²	40.2	32%	0.322	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-44.5	172.3	0	0	0	0	0	110.7	T610 N612	A589-T610 PolarHBondContact N-O 2.9Å; A589-N612 WeakPolarHBondContact CA-OD1 3.43Å; A589-N612 VanDerWaalsContact CB-OD1 3.28Å; A589-N612 WeakPolarHBondContact CB-OD1 3.48Å
590	E	91	Very high	85.3	Confident	68 Å²	68	45.1 Å²	45.1	32%	0.318	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.6	-178.6	-60.4	-172.7	-138.8	0	0	110.7	V588 T610 L648 K650	V588-E590 WeakPolarHBondContact CG1-O 3.46Å; E590-T610 PolarHBondContact N-O 3.21Å; E590-T610 VanDerWaalsContact N-O 3.15Å; E590-T610 PolarHBondContact O-N 3.05Å; E590-L648 HydrophobicContact CB-CD1 3.95Å; E590-K650 IonicContact OE1-NZ 3.52Å; E590-K650 PolarHBondContact OE1-NZ 3.24Å; E590-K650 WeakPolarHBondContact OE2-CE 3.26Å; E590-K650 IonicContact OE2-NZ 3.49Å; E590-K650 PolarHBondContact OE2-NZ 3.02Å
591	A	91.9	Very high	85	Confident	7 Å²	7	45.5 Å²	45.5	6%	0.058	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.5	172.2	0	0	0	0	0	110.4	L582 V583 V588 F608 V609	L582-A591 HydrophobicContact CB-CB 3.77Å; L582-A591 HydrophobicContact CD1-CB 3.98Å; V583-A591 HydrophobicContact CG2-CB 3.93Å; V588-A591 HydrophobicContact CG1-CB 4.43Å; A591-F608 CarbonylContact C-O 3.52Å; A591-F608 VanDerWaalsContact CA-O 3.29Å; A591-F608 WeakPolarHBondContact CA-O 3.47Å; A591-V609 HydrophobicContact CB-CG1 4.33Å
592	A	90.8	Very high	84.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.9	167.1	0	0	0	0	0	109.7	E579 F608 L648 I656 L661	E579-A592 WeakPolarHBondContact OE1-CA 3.29Å; A592-F608 HydrophobicContact CB-CB 4.5Å; A592-F608 PolarHBondContact N-O 3.17Å; A592-F608 PolarHBondContact O-N 2.95Å; A592-L648 HydrophobicContact CB-CD1 4.04Å; A592-L648 HydrophobicContact CB-CD2 4.03Å; A592-I656 HydrophobicContact CB-CD1 4.28Å; A592-I656 HydrophobicContact CB-CG2 4.08Å; A592-L661 HydrophobicContact CB-CD1 3.41Å; A592-L661 VanDerWaalsContact CB-CD1 3.41Å
593	V	90.4	Very high	84	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.1	-177	-175.2	0	0	0	0	109.3	L566 T575 V578 E579 L582 L605 Y606 C607	L566-V593 HydrophobicContact CD1-CG1 4.44Å; T575-V593 HydrophobicContact CG2-CB 4.05Å; T575-V593 HydrophobicContact CG2-CG1 3.94Å; T575-V593 VanDerWaalsContact CG2-O 3.29Å; T575-V593 WeakPolarHBondContact CG2-O 3.36Å; V578-V593 HydrophobicContact CB-CG1 4.38Å; V578-V593 HydrophobicContact CB-CG2 4.07Å; V578-V593 HydrophobicContact CG1-CG1 4.27Å; V578-V593 HydrophobicContact CG1-CG2 3.81Å; E579-V593 HydrophobicContact CB-CG2 4.49Å; E579-V593 HydrophobicContact CG-CB 3.96Å; E579-V593 HydrophobicContact CG-CG2 3.54Å; E579-V593 PolarHBondContact OE1-N 2.91Å; L582-V593 HydrophobicContact CD1-CG2 4.07Å; V593-L605 HydrophobicContact CG1-CD2 3.45Å; V593-L605 VanDerWaalsContact CG1-CD2 3.45Å; V593-Y606 WeakPolarHBondContact CA-O 3.44Å; V593-C607 HydrophobicContact CG2-CB 4.22Å
594	V	89.4	Confident	83.9	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	165.1	179.2	-60.6	0	0	0	0	111.7	Y606 F608 R658 L661 R662 A665	V594-Y606 PolarHBondContact N-O 3.19Å; V594-Y606 PolarHBondContact O-N 3.47Å; V594-F608 HydrophobicContact CG2-CE2 3.76Å; V594-R658 HydrophobicContact CG1-CB 4.21Å; V594-R658 HydrophobicContact CG1-CG 4.46Å; V594-L661 HydrophobicContact CG1-CB 3.67Å; V594-L661 HydrophobicContact CG2-CB 4.47Å; V594-R662 HydrophobicContact CB-CB 4.27Å; V594-R662 HydrophobicContact CG1-CB 4.48Å; V594-A665 HydrophobicContact CG2-CB 3.82Å
595	S	84.5	Confident	84.2	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.2	174	92.2	0	0	0	0	111.4	E603	S595-E603 WeakPolarHBondContact CB-OE1 3Å; S595-E603 PolarHBondContact OG-OE1 3.29Å
596	C	83.6	Confident	84.3	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.8	165.4	-175.8	0	0	0	0	108.4	H598 E603 S604 Y606 A665	C596-H598 PolarHBondContact O-N 3.48Å; C596-E603 CarbonylContact O-C 3.6Å; C596-S604 PolarHBondContact N-O 2.84Å; C596-S604 VanDerWaalsContact N-O 3.08Å; C596-S604 PolarHBondContact O-N 2.83Å; C596-S604 PolarHBondContact O-OG 3.33Å; C596-Y606 HydrophobicContact CB-CD2 4.44Å; C596-A665 HydrophobicContact CB-CB 4.35Å; C596-A665 PolarHBondContact SG-O 2.94Å
597	P	77.4	Confident	84.5	Confident	63 Å²	63	33.8 Å²	33.8	41%	0.409	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	139.3	176.9	-27.1	34.4	0	0	0	112.6	C666 V695	P597-C666 WeakPolarHBondContact CD-SG 3.17Å; P597-V695 HydrophobicContact CB-CG2 4.34Å
598	H	80.3	Confident	84.7	Confident	41 Å²	41	33.1 Å²	33.1	19%	0.19	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	123	179.9	-172.3	-62.5	0	0	0	111.3	C596 V600 K601 G602	C596-H598 PolarHBondContact O-N 3.48Å; H598-V600 PolarHBondContact ND1-N 3.03Å; H598-V600 VanDerWaalsContact ND1-N 3.13Å; H598-V600 PolarHBondContact O-N 3.45Å; H598-K601 HydrophobicContact CB-CB 4.23Å; H598-K601 PolarHBondContact ND1-N 2.95Å; H598-K601 PolarHBondContact O-N 3.07Å; H598-G602 PolarHBondContact N-O 3.44Å; H598-G602 CarbonylContact O-C 3.47Å; H598-G602 WeakPolarHBondContact O-CA 3.43Å; H598-G602 PolarHBondContact O-N 3.12Å
599	M	69.4	Low	84.9	Confident	176 Å²	176	32.8 Å²	32.8	87%	0.867	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.8	-172.8	-66.9	-61.5	-67.7	0	0	115
600	V	70.3	Confident	85.2	Confident	125 Å²	125	31.9 Å²	31.9	76%	0.758	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-44.8	-179.8	-175.1	0	0	0	0	113.6	H598	H598-V600 PolarHBondContact ND1-N 3.03Å; H598-V600 VanDerWaalsContact ND1-N 3.13Å; H598-V600 PolarHBondContact O-N 3.45Å
601	K	69.2	Low	85.3	Confident	55 Å²	55	29.6 Å²	29.6	24%	0.239	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.6	-172.7	-61.7	178.5	176	179.6	0	113.7	V568 S569 H598 E603 D640	V568-K601 HydrophobicContact CG1-CB 4.3Å; V568-K601 HydrophobicContact CG1-CD 3.96Å; S569-K601 PolarHBondContact N-O 3.21Å; H598-K601 HydrophobicContact CB-CB 4.23Å; H598-K601 PolarHBondContact ND1-N 2.95Å; H598-K601 PolarHBondContact O-N 3.07Å; K601-E603 WeakPolarHBondContact CB-O 3.45Å; K601-E603 PolarHBondContact O-N 3.33Å; K601-E603 VanDerWaalsContact O-N 3.13Å; K601-D640 VanDerWaalsContact NZ-CG 3.28Å; K601-D640 IonicContact NZ-OD1 2.78Å; K601-D640 PolarHBondContact NZ-OD1 3.43Å; K601-D640 IonicContact NZ-OD2 3.45Å; K601-D640 PolarHBondContact NZ-OD2 3.22Å; K601-D640 VanDerWaalsContact NZ-OD2 3.12Å
602	G	70.4	Confident	85.1	Confident	51 Å²	51	32.4 Å²	32.4	53%	0.526	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-69.8	-164.1	0	0	0	0	0	109.6	H598	H598-G602 PolarHBondContact N-O 3.44Å; H598-G602 CarbonylContact O-C 3.47Å; H598-G602 WeakPolarHBondContact O-CA 3.43Å; H598-G602 PolarHBondContact O-N 3.12Å
603	E	79.1	Confident	84.8	Confident	52 Å²	52	39.6 Å²	39.6	24%	0.243	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155	173.4	-57.7	-171.7	119.8	0	0	112.1	L566 N567 S595 C596 K601	L566-E603 WeakPolarHBondContact CA-OE2 3.33Å; N567-E603 PolarHBondContact N-OE2 3.47Å; N567-E603 WeakPolarHBondContact O-CB 3.33Å; N567-E603 PolarHBondContact O-N 2.93Å; S595-E603 WeakPolarHBondContact CB-OE1 3Å; S595-E603 PolarHBondContact OG-OE1 3.29Å; C596-E603 CarbonylContact O-C 3.6Å; K601-E603 WeakPolarHBondContact CB-O 3.45Å; K601-E603 PolarHBondContact O-N 3.33Å; K601-E603 VanDerWaalsContact O-N 3.13Å
604	S	86.1	Confident	84.7	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	157.7	176	57.7	0	0	0	0	111.4	C596 D640	C596-S604 PolarHBondContact N-O 2.84Å; C596-S604 VanDerWaalsContact N-O 3.08Å; C596-S604 PolarHBondContact O-N 2.83Å; C596-S604 PolarHBondContact O-OG 3.33Å; S604-D640 WeakPolarHBondContact CA-OD2 3.47Å; S604-D640 WeakPolarHBondContact CB-OD2 3.29Å
605	L	89.4	Confident	84.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.4	-178.6	-79.9	161.7	0	0	0	111	L566 L573 V578 V593 A637 D640 Y641	L566-L605 HydrophobicContact CD1-CD2 3.18Å; L566-L605 HydrophobicContact CD1-CG 4.03Å; L573-L605 HydrophobicContact CD2-CD1 3.7Å; L573-L605 HydrophobicContact CD2-CD2 4.07Å; L573-L605 HydrophobicContact CD2-CG 4.25Å; V578-L605 HydrophobicContact CG1-CD2 4.45Å; V578-L605 HydrophobicContact CG2-CD1 4.47Å; V578-L605 HydrophobicContact CG2-CD2 4.03Å; V593-L605 HydrophobicContact CG1-CD2 3.45Å; V593-L605 VanDerWaalsContact CG1-CD2 3.45Å; L605-A637 VanDerWaalsContact CD1-C 3.41Å; L605-A637 WeakPolarHBondContact CD1-O 2.8Å; L605-D640 PolarHBondContact N-OD2 2.68Å; L605-D640 VanDerWaalsContact N-OD2 3.16Å; L605-D640 PolarHBondContact O-N 3.32Å; L605-Y641 PolarHBondContact O-N 3.23Å; L605-Y641 VanDerWaalsContact O-N 3.08Å
606	Y	94.4	Very high	85.1	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.6	172.1	-159	-65.5	0	0	0	110	V593 V594 C596 F608 Y641 Q643 A665 R690 C691 T693	V593-Y606 WeakPolarHBondContact CA-O 3.44Å; V594-Y606 PolarHBondContact N-O 3.19Å; V594-Y606 PolarHBondContact O-N 3.47Å; C596-Y606 HydrophobicContact CB-CD2 4.44Å; Y606-F608 HydrophobicContact CD1-CD2 4.08Å; Y606-F608 HydrophobicContact CD1-CE1 4.25Å; Y606-F608 AromaticContact CD1-CE2 3.54Å; Y606-F608 HydrophobicContact CD1-CE2 3.54Å; Y606-F608 AromaticContact CD1-CZ 3.65Å; Y606-F608 HydrophobicContact CD1-CZ 3.65Å; Y606-F608 HydrophobicContact CE1-CD1 4.26Å; Y606-F608 HydrophobicContact CE1-CD2 4.42Å; Y606-F608 AromaticContact CE1-CE1 3.7Å; Y606-F608 HydrophobicContact CE1-CE1 3.7Å; Y606-F608 AromaticContact CE1-CE2 3.86Å; Y606-F608 HydrophobicContact CE1-CE2 3.86Å; Y606-F608 AromaticContact CE1-CZ 3.47Å; Y606-F608 HydrophobicContact CE1-CZ 3.47Å; Y606-F608 VanDerWaalsContact CE1-CZ 3.47Å; Y606-Y641 AromaticContact CD2-CD2 3.58Å; Y606-Y641 HydrophobicContact CD2-CD2 3.58Å; Y606-Y641 HydrophobicContact CD2-CE2 4.48Å; Y606-Y641 AromaticContact CD2-CG 3.7Å; Y606-Y641 HydrophobicContact CD2-CG 3.7Å; Y606-Y641 HydrophobicContact CE2-CD2 4.19Å; Y606-Y641 AromaticContact CE2-CG 3.9Å; Y606-Y641 HydrophobicContact CE2-CG 3.9Å; Y606-Y641 HydrophobicContact CG-CD2 4.34Å; Y606-Y641 HydrophobicContact CG-CG 4.46Å; Y606-Q643 HydrophobicContact CE1-CB 3.78Å; Y606-Q643 VanDerWaalsContact CE1-OE1 3.31Å; Y606-Q643 PolarHBondContact OH-OE1 2.64Å; Y606-A665 HydrophobicContact CD1-CB 4.15Å; Y606-A665 HydrophobicContact CD2-CB 3.77Å; Y606-A665 HydrophobicContact CE2-CB 4.27Å; Y606-A665 HydrophobicContact CG-CB 3.71Å; Y606-R690 WeakPolarHBondContact OH-CG 3.41Å; Y606-C691 HydrophobicContact CE2-CB 4.02Å; Y606-C691 WeakPolarHBondContact OH-CB 3.44Å; Y606-C691 PolarHBondContact OH-N 2.72Å; Y606-T693 HydrophobicContact CD2-CG2 3.93Å; Y606-T693 HydrophobicContact CE2-CG2 3.63Å
607	C	95.3	Very high	85.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.9	-175.2	-56.2	0	0	0	0	111	L582 V593 P639 Y641 I642 Q643	L582-C607 HydrophobicContact CD1-CB 3.89Å; V593-C607 HydrophobicContact CG2-CB 4.22Å; C607-P639 VanDerWaalsContact SG-CB 3.57Å; C607-Y641 PolarHBondContact N-O 3.17Å; C607-I642 HydrophobicContact CB-CG1 4.24Å; C607-I642 CarbonylContact O-C 3.46Å; C607-I642 WeakPolarHBondContact O-CA 3.46Å; C607-Q643 PolarHBondContact O-N 2.78Å
608	F	96.5	Very high	86.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.1	169.3	-61.9	-91.1	0	0	0	108.3	A591 A592 V594 Y606 Q643 A645 L648 L661 I664 L686	A591-F608 CarbonylContact C-O 3.52Å; A591-F608 VanDerWaalsContact CA-O 3.29Å; A591-F608 WeakPolarHBondContact CA-O 3.47Å; A592-F608 HydrophobicContact CB-CB 4.5Å; A592-F608 PolarHBondContact N-O 3.17Å; A592-F608 PolarHBondContact O-N 2.95Å; V594-F608 HydrophobicContact CG2-CE2 3.76Å; Y606-F608 HydrophobicContact CD1-CD2 4.08Å; Y606-F608 HydrophobicContact CD1-CE1 4.25Å; Y606-F608 AromaticContact CD1-CE2 3.54Å; Y606-F608 HydrophobicContact CD1-CE2 3.54Å; Y606-F608 AromaticContact CD1-CZ 3.65Å; Y606-F608 HydrophobicContact CD1-CZ 3.65Å; Y606-F608 HydrophobicContact CE1-CD1 4.26Å; Y606-F608 HydrophobicContact CE1-CD2 4.42Å; Y606-F608 AromaticContact CE1-CE1 3.7Å; Y606-F608 HydrophobicContact CE1-CE1 3.7Å; Y606-F608 AromaticContact CE1-CE2 3.86Å; Y606-F608 HydrophobicContact CE1-CE2 3.86Å; Y606-F608 AromaticContact CE1-CZ 3.47Å; Y606-F608 HydrophobicContact CE1-CZ 3.47Å; Y606-F608 VanDerWaalsContact CE1-CZ 3.47Å; F608-Q643 HydrophobicContact CD1-CB 4.23Å; F608-Q643 HydrophobicContact CD1-CG 4.21Å; F608-Q643 HydrophobicContact CE1-CG 4.44Å; F608-Q643 VanDerWaalsContact CE1-OE1 3.23Å; F608-A645 HydrophobicContact CB-CB 3.92Å; F608-A645 HydrophobicContact CD1-CB 4.36Å; F608-L648 HydrophobicContact CB-CD2 3.7Å; F608-L661 HydrophobicContact CD1-CD2 4.04Å; F608-L661 HydrophobicContact CD2-CB 4.17Å; F608-L661 HydrophobicContact CD2-CD1 4.09Å; F608-L661 HydrophobicContact CD2-CD2 3.87Å; F608-L661 HydrophobicContact CD2-CG 4.27Å; F608-L661 HydrophobicContact CE1-CD2 4.03Å; F608-L661 HydrophobicContact CE2-CB 3.73Å; F608-L661 HydrophobicContact CE2-CD1 4.49Å; F608-L661 HydrophobicContact CE2-CD2 3.87Å; F608-L661 HydrophobicContact CE2-CG 4.24Å; F608-L661 HydrophobicContact CG-CD2 3.95Å; F608-L661 HydrophobicContact CZ-CB 4.25Å; F608-L661 HydrophobicContact CZ-CD2 3.95Å; F608-I664 HydrophobicContact CE1-CG2 4.24Å; F608-I664 HydrophobicContact CZ-CB 4.45Å; F608-I664 HydrophobicContact CZ-CG2 4.22Å; F608-L686 HydrophobicContact CD1-CD2 3.95Å; F608-L686 HydrophobicContact CE1-CD2 4.28Å
609	V	95.9	Very high	87	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.2	-179.8	-63.2	0	0	0	0	111.2	L582 A591 L611 F617 L625 I642 Q643 A645	L582-V609 HydrophobicContact CD1-CG1 4.24Å; A591-V609 HydrophobicContact CB-CG1 4.33Å; V609-L611 HydrophobicContact CG2-CD2 4.4Å; V609-F617 HydrophobicContact CG2-CD2 4.01Å; V609-F617 HydrophobicContact CG2-CE2 3.53Å; V609-L625 HydrophobicContact CG1-CD1 4.46Å; V609-L625 HydrophobicContact CG2-CD1 4.32Å; V609-I642 HydrophobicContact CG1-CG2 4.07Å; V609-I642 HydrophobicContact CG2-CG2 3.68Å; V609-Q643 PolarHBondContact N-O 3.16Å; V609-A645 PolarHBondContact O-N 2.97Å
610	T	94.3	Very high	88.2	Confident	20 Å²	20	53.7 Å²	53.7	12%	0.123	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.9	168.5	-55	0	0	0	0	107.8	A589 E590 A645	A589-T610 PolarHBondContact N-O 2.9Å; E590-T610 PolarHBondContact N-O 3.21Å; E590-T610 VanDerWaalsContact N-O 3.15Å; E590-T610 PolarHBondContact O-N 3.05Å; T610-A645 VanDerWaalsContact CA-O 3.26Å; T610-A645 WeakPolarHBondContact CA-O 3.15Å; T610-A645 VanDerWaalsContact CB-O 3.3Å; T610-A645 WeakPolarHBondContact CB-O 3.29Å; T610-A645 PolarHBondContact OG1-O 2.89Å
611	L	93.2	Very high	89.5	Confident	20 Å²	20	48.2 Å²	48.2	11%	0.105	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	159.2	-177.6	-56.3	-176.4	0	0	0	112	S587 V588 V609 V615 F617 L621	S587-L611 CarbonylContact O-C 3.32Å; S587-L611 VanDerWaalsContact O-CA 3.24Å; S587-L611 WeakPolarHBondContact O-CA 3.47Å; S587-L611 WeakPolarHBondContact O-CB 3.29Å; S587-L611 WeakPolarHBondContact O-CD2 3.23Å; V588-L611 HydrophobicContact CG2-CD2 4.26Å; V609-L611 HydrophobicContact CG2-CD2 4.4Å; L611-V615 HydrophobicContact CB-CB 4.24Å; L611-V615 HydrophobicContact CD1-CB 4.48Å; L611-V615 HydrophobicContact CD1-CG1 4.13Å; L611-F617 HydrophobicContact CD1-CB 3.76Å; L611-F617 HydrophobicContact CD1-CD2 4.07Å; L611-F617 HydrophobicContact CD1-CG 4.43Å; L611-F617 HydrophobicContact CD2-CD2 4.47Å; L611-F617 HydrophobicContact CG-CD2 4.5Å; L611-L621 HydrophobicContact CD1-CD2 3.74Å; L611-L621 HydrophobicContact CD2-CD2 3.86Å; L611-L621 HydrophobicContact CG-CD2 4.48Å
612	N	88.1	Confident	90.7	Very high	66 Å²	66	47.8 Å²	47.8	35%	0.353	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-65.4	150.8	171.5	-75.9	-40.7	0	0	0	111.4	K586 S587 V588 A589 G614 V615	K586-N612 PolarHBondContact O-ND2 3.36Å; S587-N612 PolarHBondContact O-N 2.91Å; V588-N612 PolarHBondContact O-ND2 3.28Å; A589-N612 WeakPolarHBondContact CA-OD1 3.43Å; A589-N612 VanDerWaalsContact CB-OD1 3.28Å; A589-N612 WeakPolarHBondContact CB-OD1 3.48Å; N612-G614 PolarHBondContact O-N 2.87Å; N612-V615 HydrophobicContact CB-CG2 4.24Å; N612-V615 WeakPolarHBondContact O-CB 3.42Å; N612-V615 WeakPolarHBondContact O-CG2 3.45Å; N612-V615 PolarHBondContact O-N 3.46Å
613	D	84.3	Confident	91.9	Very high	152 Å²	152	48.2 Å²	48.2	81%	0.813	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	131.3	-179.2	-69.5	-26.7	0	0	0	111.1	V615	D613-V615 VanDerWaalsContact C-N 3.34Å
614	G	86.7	Confident	92.7	Very high	92 Å²	92	50.3 Å²	50.3	95%	0.948	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-0.4	-178.2	0	0	0	0	0	115.2	N612	N612-G614 PolarHBondContact O-N 2.87Å
615	V	92.3	Very high	93.2	Very high	59 Å²	59	50.3 Å²	50.3	36%	0.358	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-99.1	129.3	174.2	-170.2	0	0	0	0	111	L611 N612 D613 L621	L611-V615 HydrophobicContact CB-CB 4.24Å; L611-V615 HydrophobicContact CD1-CB 4.48Å; L611-V615 HydrophobicContact CD1-CG1 4.13Å; N612-V615 HydrophobicContact CB-CG2 4.24Å; N612-V615 WeakPolarHBondContact O-CB 3.42Å; N612-V615 WeakPolarHBondContact O-CG2 3.45Å; N612-V615 PolarHBondContact O-N 3.46Å; D613-V615 VanDerWaalsContact C-N 3.34Å; V615-L621 HydrophobicContact CG1-CD2 4.35Å
616	A	91.9	Very high	93.4	Very high	79 Å²	79	53.3 Å²	53.3	65%	0.653	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-95.7	138.4	176.1	0	0	0	0	0	111.7
617	F	93.4	Very high	93.2	Very high	58 Å²	58	59.2 Å²	59.2	25%	0.254	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-72	132.2	173.6	-166.5	-94.6	0	0	0	110.4	V609 L611 E622 I642 N644	V609-F617 HydrophobicContact CG2-CD2 4.01Å; V609-F617 HydrophobicContact CG2-CE2 3.53Å; L611-F617 HydrophobicContact CD1-CB 3.76Å; L611-F617 HydrophobicContact CD1-CD2 4.07Å; L611-F617 HydrophobicContact CD1-CG 4.43Å; L611-F617 HydrophobicContact CD2-CD2 4.47Å; L611-F617 HydrophobicContact CG-CD2 4.5Å; F617-E622 HydrophobicContact CE1-CB 4.41Å; F617-E622 HydrophobicContact CZ-CB 3.99Å; F617-E622 HydrophobicContact CZ-CG 4.48Å; F617-I642 HydrophobicContact CE2-CG2 3.92Å; F617-I642 HydrophobicContact CZ-CB 4.49Å; F617-I642 HydrophobicContact CZ-CG2 3.87Å; F617-N644 HydrophobicContact CB-CB 3.83Å; F617-N644 HydrophobicContact CD1-CB 3.84Å; F617-N644 HydrophobicContact CD2-CB 3.95Å; F617-N644 HydrophobicContact CE1-CB 4.38Å; F617-N644 HydrophobicContact CG-CB 3.6Å
618	S	94.6	Very high	92.9	Very high	53 Å²	53	60.6 Å²	60.6	37%	0.371	36%	0.358	S	S	.	.			trans	-145.1	159.9	-178.4	68.4	0	0	0	0	111	A620 L621 E622	S618-A620 PolarHBondContact O-N 2.87Å; S618-L621 PolarHBondContact O-N 2.51Å; S618-L621 VanDerWaalsContact O-N 3.12Å; S618-L621 PolarHBondContact OG-N 3.34Å; S618-E622 PolarHBondContact O-N 3.03Å
619	Q	93	Very high	92.2	Very high	170 Å²	170	60.6 Å²	60.6	79%	0.794	36%	0.358	S	S	*	.	H	α-helix	trans	-59.5	-32.7	175.6	-71.7	-178	-11.5	0	0	112.6	E622 A623	Q619-E622 PolarHBondContact O-N 3.11Å; Q619-A623 PolarHBondContact O-N 3.35Å
620	A	94.9	Very high	91.5	Very high	75 Å²	75	67.6 Å²	67.6	62%	0.62	38%	0.384	S	S	*	.	H	α-helix	trans	-65.2	-45.2	175.5	0	0	0	0	0	111.3	S618 A623 E624	S618-A620 PolarHBondContact O-N 2.87Å; A620-A623 PolarHBondContact O-N 2.87Å; A620-E624 PolarHBondContact O-N 3.29Å
621	L	95.6	Very high	90.5	Very high	11 Å²	11	73 Å²	73	6%	0.058	41%	0.409	C	S	.	.	H	α-helix	trans	-65.6	-41	176.4	179.7	60.8	0	0	0	111.5	H585 L611 V615 S618 A623 E624 L625	H585-L621 VanDerWaalsContact CE1-CD1 3.44Å; H585-L621 WeakPolarHBondContact CE1-CD1 3.49Å; L611-L621 HydrophobicContact CD1-CD2 3.74Å; L611-L621 HydrophobicContact CD2-CD2 3.86Å; L611-L621 HydrophobicContact CG-CD2 4.48Å; V615-L621 HydrophobicContact CG1-CD2 4.35Å; S618-L621 PolarHBondContact O-N 2.51Å; S618-L621 VanDerWaalsContact O-N 3.12Å; S618-L621 PolarHBondContact OG-N 3.34Å; L621-A623 VanDerWaalsContact C-N 3.33Å; L621-A623 PolarHBondContact O-N 3.02Å; L621-E624 WeakPolarHBondContact O-CB 3.34Å; L621-E624 PolarHBondContact O-N 2.8Å; L621-L625 HydrophobicContact CD1-CD1 4.49Å; L621-L625 HydrophobicContact CD1-CG 4.24Å; L621-L625 HydrophobicContact CG-CD1 4.2Å; L621-L625 HydrophobicContact CG-CG 4.39Å; L621-L625 VanDerWaalsContact O-CG 3.28Å; L621-L625 WeakPolarHBondContact O-CG 3.44Å; L621-L625 PolarHBondContact O-N 2.93Å
622	E	95.9	Very high	89.6	Confident	45 Å²	45	76.8 Å²	76.8	21%	0.21	42%	0.424	C	S	.	.	H	α-helix	trans	-57.1	-46.4	174.5	175.4	176	176.7	0	0	111.9	F617 S618 Q619 E624 L625 R626 I642	F617-E622 HydrophobicContact CE1-CB 4.41Å; F617-E622 HydrophobicContact CZ-CB 3.99Å; F617-E622 HydrophobicContact CZ-CG 4.48Å; S618-E622 PolarHBondContact O-N 3.03Å; Q619-E622 PolarHBondContact O-N 3.11Å; E622-E624 VanDerWaalsContact C-N 3.33Å; E622-E624 PolarHBondContact O-N 3.27Å; E622-L625 PolarHBondContact O-N 3.29Å; E622-R626 WeakPolarHBondContact O-CG 3.38Å; E622-R626 PolarHBondContact O-N 2.69Å; E622-R626 IonicContact OE1-CZ 2.67Å; E622-R626 IonicContact OE1-NE 3.54Å; E622-R626 PolarHBondContact OE1-NE 3.29Å; E622-R626 IonicContact OE1-NH2 3.28Å; E622-R626 PolarHBondContact OE1-NH2 3.09Å; E622-I642 HydrophobicContact CG-CB 4.06Å; E622-I642 HydrophobicContact CG-CD1 4.37Å; E622-I642 HydrophobicContact CG-CG1 4.47Å
623	A	95.3	Very high	88.8	Confident	60 Å²	60	76.4 Å²	76.4	50%	0.496	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-38.6	177.6	0	0	0	0	0	112.3	Q619 A620 L621 K627	Q619-A623 PolarHBondContact O-N 3.35Å; A620-A623 PolarHBondContact O-N 2.87Å; L621-A623 VanDerWaalsContact C-N 3.33Å; L621-A623 PolarHBondContact O-N 3.02Å; A623-K627 WeakPolarHBondContact O-CB 3.45Å; A623-K627 PolarHBondContact O-N 3.43Å
624	E	96.2	Very high	87.9	Confident	97 Å²	97	70.1 Å²	70.1	45%	0.453	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-46.4	175	-172.2	173.9	-164.1	0	0	111.6	H585 A620 L621 E622 K627 Q628	H585-E624 IonicContact CE1-OE2 2.66Å; H585-E624 IonicContact NE2-OE1 2.83Å; H585-E624 PolarHBondContact NE2-OE1 2.94Å; H585-E624 IonicContact NE2-OE2 2.71Å; A620-E624 PolarHBondContact O-N 3.29Å; L621-E624 WeakPolarHBondContact O-CB 3.34Å; L621-E624 PolarHBondContact O-N 2.8Å; E622-E624 VanDerWaalsContact C-N 3.33Å; E622-E624 PolarHBondContact O-N 3.27Å; E624-K627 WeakPolarHBondContact O-CB 3.47Å; E624-K627 PolarHBondContact O-N 2.99Å; E624-Q628 PolarHBondContact O-N 3.01Å
625	L	95.1	Very high	87.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.6	-44.1	177.3	-67.8	174.8	0	0	0	112.2	L582 H585 V588 V609 L621 E622 K627 Q628 V629 I642	L582-L625 HydrophobicContact CD2-CB 3.99Å; L582-L625 HydrophobicContact CD2-CD2 4.31Å; H585-L625 HydrophobicContact CB-CD2 3.59Å; H585-L625 VanDerWaalsContact CG-CD2 3.5Å; V588-L625 HydrophobicContact CG2-CD1 4.17Å; V588-L625 HydrophobicContact CG2-CD2 3.59Å; V609-L625 HydrophobicContact CG1-CD1 4.46Å; V609-L625 HydrophobicContact CG2-CD1 4.32Å; L621-L625 HydrophobicContact CD1-CD1 4.49Å; L621-L625 HydrophobicContact CD1-CG 4.24Å; L621-L625 HydrophobicContact CG-CD1 4.2Å; L621-L625 HydrophobicContact CG-CG 4.39Å; L621-L625 VanDerWaalsContact O-CG 3.28Å; L621-L625 WeakPolarHBondContact O-CG 3.44Å; L621-L625 PolarHBondContact O-N 2.93Å; E622-L625 PolarHBondContact O-N 3.29Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 2.94Å; L625-Q628 PolarHBondContact O-N 3.37Å; L625-V629 WeakPolarHBondContact O-CG2 3.3Å; L625-V629 PolarHBondContact O-N 3.16Å; L625-I642 HydrophobicContact CB-CD1 3.79Å; L625-I642 HydrophobicContact CD1-CG2 4.4Å
626	R	94.7	Very high	86.1	Confident	62 Å²	62	69.1 Å²	69.1	23%	0.234	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-43.3	175.1	-71.9	176.6	-173.9	-107.1	5.6	111.6	E622 R630 T638 P639 D640 I642	E622-R626 WeakPolarHBondContact O-CG 3.38Å; E622-R626 PolarHBondContact O-N 2.69Å; E622-R626 IonicContact OE1-CZ 2.67Å; E622-R626 IonicContact OE1-NE 3.54Å; E622-R626 PolarHBondContact OE1-NE 3.29Å; E622-R626 IonicContact OE1-NH2 3.28Å; E622-R626 PolarHBondContact OE1-NH2 3.09Å; R626-R630 WeakPolarHBondContact O-CB 3.37Å; R626-R630 PolarHBondContact O-N 3.34Å; R626-R630 VanDerWaalsContact O-N 3.08Å; R626-T638 HydrophobicContact CB-CG2 4.27Å; R626-P639 PolarHBondContact NH1-O 2.87Å; R626-D640 VanDerWaalsContact CZ-O 3.26Å; R626-D640 PolarHBondContact NH1-O 2.97Å; R626-D640 PolarHBondContact NH2-O 3.42Å; R626-I642 HydrophobicContact CG-CD1 3.59Å; R626-I642 HydrophobicContact CG-CG1 4.27Å
627	K	89.4	Confident	85.4	Confident	125 Å²	125	65.3 Å²	65.3	54%	0.543	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-44.4	177.5	-177.1	-178.8	168.4	-173.1	0	111.2	A623 E624 L625 V629 R630 E631	A623-K627 WeakPolarHBondContact O-CB 3.45Å; A623-K627 PolarHBondContact O-N 3.43Å; E624-K627 WeakPolarHBondContact O-CB 3.47Å; E624-K627 PolarHBondContact O-N 2.99Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 2.94Å; K627-V629 PolarHBondContact O-N 3.35Å; K627-R630 WeakPolarHBondContact O-CB 3.37Å; K627-R630 PolarHBondContact O-N 2.84Å; K627-E631 WeakPolarHBondContact CE-OE1 3.34Å; K627-E631 HydrophobicContact CG-CG 4.4Å; K627-E631 IonicContact NZ-OE1 3.52Å; K627-E631 WeakPolarHBondContact O-CG 3.48Å; K627-E631 PolarHBondContact O-N 3.28Å
628	Q	88.9	Confident	85.1	Confident	29 Å²	29	64 Å²	64	14%	0.136	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-47	178.1	174.2	163.5	-36.8	0	0	112.3	A581 H585 E624 L625 R630 E631 K632	A581-Q628 PolarHBondContact O-NE2 3.37Å; H585-Q628 PolarHBondContact CD2-OE1 2.98Å; H585-Q628 VanDerWaalsContact N-NE2 3.17Å; E624-Q628 PolarHBondContact O-N 3.01Å; L625-Q628 PolarHBondContact O-N 3.37Å; Q628-R630 VanDerWaalsContact C-N 3.3Å; Q628-R630 PolarHBondContact O-N 3.1Å; Q628-E631 PolarHBondContact O-N 3.24Å; Q628-K632 HydrophobicContact CG-CD 4.2Å; Q628-K632 WeakPolarHBondContact O-CB 3.07Å; Q628-K632 WeakPolarHBondContact O-CG 3.31Å; Q628-K632 PolarHBondContact O-N 3.47Å
629	V	82.3	Confident	85	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-42.1	177.5	178.3	0	0	0	0	110.8	V578 A581 L582 L625 K627 E631 K632 I633 A637 P639	V578-V629 HydrophobicContact CG1-CG1 4.08Å; V578-V629 HydrophobicContact CG1-CG2 4.44Å; A581-V629 HydrophobicContact CB-CG2 4.27Å; L582-V629 HydrophobicContact CD2-CG2 3.59Å; L582-V629 HydrophobicContact CG-CG2 3.78Å; L625-V629 WeakPolarHBondContact O-CG2 3.3Å; L625-V629 PolarHBondContact O-N 3.16Å; K627-V629 PolarHBondContact O-N 3.35Å; V629-E631 PolarHBondContact O-N 3.47Å; V629-K632 PolarHBondContact O-N 2.92Å; V629-I633 HydrophobicContact CG1-CD1 4.03Å; V629-I633 HydrophobicContact CG1-CG1 4.5Å; V629-I633 PolarHBondContact O-N 3.45Å; V629-A637 HydrophobicContact CG1-CB 4.27Å; V629-A637 WeakPolarHBondContact CG1-O 3.35Å; V629-P639 HydrophobicContact CB-CG 4.36Å; V629-P639 HydrophobicContact CG1-CG 4.42Å; V629-P639 HydrophobicContact CG2-CG 4.16Å
630	R	81.5	Confident	84.9	Confident	146 Å²	146	55.1 Å²	55.1	55%	0.551	29%	0.291	S	S	*	.	H	α-helix	trans	-61.9	-40.2	177.2	179.9	170.6	-172.9	162.6	4	113.1	R626 K627 Q628 G634	R626-R630 WeakPolarHBondContact O-CB 3.37Å; R626-R630 PolarHBondContact O-N 3.34Å; R626-R630 VanDerWaalsContact O-N 3.08Å; K627-R630 WeakPolarHBondContact O-CB 3.37Å; K627-R630 PolarHBondContact O-N 2.84Å; Q628-R630 VanDerWaalsContact C-N 3.3Å; Q628-R630 PolarHBondContact O-N 3.1Å; R630-G634 CarbonylContact O-C 3.48Å; R630-G634 WeakPolarHBondContact O-CA 3.46Å; R630-G634 PolarHBondContact O-N 3.14Å; R630-G634 VanDerWaalsContact O-N 3.16Å
631	E	73.6	Confident	84.9	Confident	135 Å²	135	53 Å²	53	63%	0.631	27%	0.267	S	S	*	.	H	α-helix	trans	-72.9	-35.3	179.6	-74.4	176.4	166.4	0	0	112.3	K627 Q628 V629	K627-E631 WeakPolarHBondContact CE-OE1 3.34Å; K627-E631 HydrophobicContact CG-CG 4.4Å; K627-E631 IonicContact NZ-OE1 3.52Å; K627-E631 WeakPolarHBondContact O-CG 3.48Å; K627-E631 PolarHBondContact O-N 3.28Å; Q628-E631 PolarHBondContact O-N 3.24Å; V629-E631 PolarHBondContact O-N 3.47Å
632	K	73.9	Confident	84.9	Confident	98 Å²	98	52.5 Å²	52.5	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-83.4	-40.7	-177.3	-72.9	-168.5	175.5	-178.8	0	114.4	A581 E584 Q628 V629	A581-K632 HydrophobicContact CB-CB 4.35Å; A581-K632 HydrophobicContact CB-CD 4.28Å; E584-K632 IonicContact OE1-NZ 3.19Å; E584-K632 IonicContact OE2-NZ 3.37Å; E584-K632 PolarHBondContact OE2-NZ 3.39Å; Q628-K632 HydrophobicContact CG-CD 4.2Å; Q628-K632 WeakPolarHBondContact O-CB 3.07Å; Q628-K632 WeakPolarHBondContact O-CG 3.31Å; Q628-K632 PolarHBondContact O-N 3.47Å; V629-K632 PolarHBondContact O-N 2.92Å
633	I	71.9	Confident	84.9	Confident	58 Å²	58	50.5 Å²	50.5	30%	0.297	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-51.8	-173.8	-52.3	-179.1	0	0	0	109.8	L573 E577 V578 A581 V629 A637	L573-I633 HydrophobicContact CD1-CG2 4.31Å; E577-I633 HydrophobicContact CB-CD1 4.15Å; E577-I633 WeakPolarHBondContact O-CD1 3.43Å; V578-I633 HydrophobicContact CB-CD1 4.37Å; V578-I633 HydrophobicContact CG2-CD1 3.96Å; A581-I633 HydrophobicContact CB-CD1 3.8Å; A581-I633 HydrophobicContact CB-CG1 4.09Å; V629-I633 HydrophobicContact CG1-CD1 4.03Å; V629-I633 HydrophobicContact CG1-CG1 4.5Å; V629-I633 PolarHBondContact O-N 3.45Å; I633-A637 HydrophobicContact CB-CB 3.74Å; I633-A637 HydrophobicContact CD1-CB 4.3Å; I633-A637 HydrophobicContact CG2-CB 3.39Å
634	G	64.1	Low	84.8	Confident	20 Å²	20	50.2 Å²	50.2	21%	0.206	25%	0.245	C	C	.	.			trans	142.4	172.8	178.6	0	0	0	0	0	112.9	R630 I636 A637	R630-G634 CarbonylContact O-C 3.48Å; R630-G634 WeakPolarHBondContact O-CA 3.46Å; R630-G634 PolarHBondContact O-N 3.14Å; R630-G634 VanDerWaalsContact O-N 3.16Å; G634-I636 VanDerWaalsContact C-N 3.25Å; G634-I636 PolarHBondContact O-N 3.08Å; G634-A637 PolarHBondContact O-N 2.79Å; G634-A637 VanDerWaalsContact O-N 3.13Å
635	A	71.1	Confident	84.6	Confident	63 Å²	63	45.6 Å²	45.6	52%	0.521	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-59	-36	-176.8	0	0	0	0	0	113.1	A637 T638	A635-A637 PolarHBondContact O-N 2.97Å; A635-T638 WeakPolarHBondContact O-CB 3.35Å; A635-T638 PolarHBondContact O-N 3.06Å; A635-T638 PolarHBondContact O-OG1 3.38Å
636	I	70	Confident	84.1	Confident	67 Å²	67	48.7 Å²	48.7	34%	0.344	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-64.4	-28.1	-179.4	-163.9	65.7	0	0	0	112.9	V568 H571 G634	V568-I636 HydrophobicContact CG1-CD1 4.18Å; V568-I636 HydrophobicContact CG1-CG1 4.48Å; H571-I636 HydrophobicContact CB-CG1 4.3Å; G634-I636 VanDerWaalsContact C-N 3.25Å; G634-I636 PolarHBondContact O-N 3.08Å
637	A	77.3	Confident	83.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-94	5.7	-179	0	0	0	0	0	113.3	L573 V578 L605 V629 I633 G634 A635 P639	L573-A637 HydrophobicContact CD1-CB 3.96Å; L573-A637 HydrophobicContact CD2-CB 3.72Å; L573-A637 HydrophobicContact CG-CB 4.5Å; V578-A637 HydrophobicContact CG2-CB 4.34Å; L605-A637 VanDerWaalsContact CD1-C 3.41Å; L605-A637 WeakPolarHBondContact CD1-O 2.8Å; V629-A637 HydrophobicContact CG1-CB 4.27Å; V629-A637 WeakPolarHBondContact CG1-O 3.35Å; I633-A637 HydrophobicContact CB-CB 3.74Å; I633-A637 HydrophobicContact CD1-CB 4.3Å; I633-A637 HydrophobicContact CG2-CB 3.39Å; G634-A637 PolarHBondContact O-N 2.79Å; G634-A637 VanDerWaalsContact O-N 3.13Å; A635-A637 PolarHBondContact O-N 2.97Å; A637-P639 VanDerWaalsContact O-CD 3.32Å; A637-P639 WeakPolarHBondContact O-CD 3.36Å
638	T	87.6	Confident	83.9	Confident	30 Å²	30	41.3 Å²	41.3	18%	0.184	22%	0.219	C	C	.	.			trans	-63.2	122.3	178.1	-51.2	0	0	0	0	108.7	R626 A635 D640	R626-T638 HydrophobicContact CB-CG2 4.27Å; A635-T638 WeakPolarHBondContact O-CB 3.35Å; A635-T638 PolarHBondContact O-N 3.06Å; A635-T638 PolarHBondContact O-OG1 3.38Å; T638-D640 PolarHBondContact O-N 2.83Å
639	P	91.9	Very high	83.8	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.013	21%	0.213	C	C	.	.			trans	-53.7	141	177.7	-29.6	38.2	0	0	0	111.2	V578 C607 R626 V629 A637 I642	V578-P639 HydrophobicContact CG1-CG 4.49Å; C607-P639 VanDerWaalsContact SG-CB 3.57Å; R626-P639 PolarHBondContact NH1-O 2.87Å; V629-P639 HydrophobicContact CB-CG 4.36Å; V629-P639 HydrophobicContact CG1-CG 4.42Å; V629-P639 HydrophobicContact CG2-CG 4.16Å; A637-P639 VanDerWaalsContact O-CD 3.32Å; A637-P639 WeakPolarHBondContact O-CD 3.36Å; P639-I642 HydrophobicContact CB-CD1 4.09Å; P639-I642 HydrophobicContact CB-CG1 3.74Å; P639-I642 HydrophobicContact CG-CD1 4.17Å; P639-I642 HydrophobicContact CG-CG1 4.31Å
640	D	92.8	Very high	83.9	Confident	34 Å²	34	42.4 Å²	42.4	18%	0.182	22%	0.224	C	C	.	.	S	Bend	trans	-85.9	-37.1	171.4	-70.2	-81.2	0	0	0	110.2	K601 S604 L605 R626 T638	K601-D640 VanDerWaalsContact NZ-CG 3.28Å; K601-D640 IonicContact NZ-OD1 2.78Å; K601-D640 PolarHBondContact NZ-OD1 3.43Å; K601-D640 IonicContact NZ-OD2 3.45Å; K601-D640 PolarHBondContact NZ-OD2 3.22Å; K601-D640 VanDerWaalsContact NZ-OD2 3.12Å; S604-D640 WeakPolarHBondContact CA-OD2 3.47Å; S604-D640 WeakPolarHBondContact CB-OD2 3.29Å; L605-D640 PolarHBondContact N-OD2 2.68Å; L605-D640 VanDerWaalsContact N-OD2 3.16Å; L605-D640 PolarHBondContact O-N 3.32Å; R626-D640 VanDerWaalsContact CZ-O 3.26Å; R626-D640 PolarHBondContact NH1-O 2.97Å; R626-D640 PolarHBondContact NH2-O 3.42Å; T638-D640 PolarHBondContact O-N 2.83Å
641	Y	94.3	Very high	83.7	Confident	30 Å²	30	36.6 Å²	36.6	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136	177.1	-51	-81.3	0	0	0	110.2	L605 Y606 C607 C691 T693 T694	L605-Y641 PolarHBondContact O-N 3.23Å; L605-Y641 VanDerWaalsContact O-N 3.08Å; Y606-Y641 AromaticContact CD2-CD2 3.58Å; Y606-Y641 HydrophobicContact CD2-CD2 3.58Å; Y606-Y641 HydrophobicContact CD2-CE2 4.48Å; Y606-Y641 AromaticContact CD2-CG 3.7Å; Y606-Y641 HydrophobicContact CD2-CG 3.7Å; Y606-Y641 HydrophobicContact CE2-CD2 4.19Å; Y606-Y641 AromaticContact CE2-CG 3.9Å; Y606-Y641 HydrophobicContact CE2-CG 3.9Å; Y606-Y641 HydrophobicContact CG-CD2 4.34Å; Y606-Y641 HydrophobicContact CG-CG 4.46Å; C607-Y641 PolarHBondContact N-O 3.17Å; Y641-C691 HydrophobicContact CD1-CB 3.83Å; Y641-C691 HydrophobicContact CG-CB 4.37Å; Y641-T693 HydrophobicContact CD1-CG2 4.43Å; Y641-T693 HydrophobicContact CD2-CG2 4.29Å; Y641-T693 HydrophobicContact CE1-CG2 4.11Å; Y641-T693 HydrophobicContact CE2-CG2 3.97Å; Y641-T694 PolarHBondContact OH-N 2.93Å; Y641-T694 PolarHBondContact OH-OG1 3.39Å
642	I	95.9	Very high	82.8	Confident	2 Å²	2	34 Å²	34	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.1	166.9	-56	-171.6	0	0	0	107.6	C607 V609 F617 E622 L625 R626 P639	C607-I642 HydrophobicContact CB-CG1 4.24Å; C607-I642 CarbonylContact O-C 3.46Å; C607-I642 WeakPolarHBondContact O-CA 3.46Å; V609-I642 HydrophobicContact CG1-CG2 4.07Å; V609-I642 HydrophobicContact CG2-CG2 3.68Å; F617-I642 HydrophobicContact CE2-CG2 3.92Å; F617-I642 HydrophobicContact CZ-CB 4.49Å; F617-I642 HydrophobicContact CZ-CG2 3.87Å; E622-I642 HydrophobicContact CG-CB 4.06Å; E622-I642 HydrophobicContact CG-CD1 4.37Å; E622-I642 HydrophobicContact CG-CG1 4.47Å; L625-I642 HydrophobicContact CB-CD1 3.79Å; L625-I642 HydrophobicContact CD1-CG2 4.4Å; R626-I642 HydrophobicContact CG-CD1 3.59Å; R626-I642 HydrophobicContact CG-CG1 4.27Å; P639-I642 HydrophobicContact CB-CD1 4.09Å; P639-I642 HydrophobicContact CB-CG1 3.74Å; P639-I642 HydrophobicContact CG-CD1 4.17Å; P639-I642 HydrophobicContact CG-CG1 4.31Å
643	Q	94.9	Very high	81.6	Confident	3 Å²	3	32.1 Å²	32.1	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.1	179.6	172.9	174.2	-13.6	0	0	110.4	Y606 C607 F608 V609 A645 L686 N689	Y606-Q643 HydrophobicContact CE1-CB 3.78Å; Y606-Q643 VanDerWaalsContact CE1-OE1 3.31Å; Y606-Q643 PolarHBondContact OH-OE1 2.64Å; C607-Q643 PolarHBondContact O-N 2.78Å; F608-Q643 HydrophobicContact CD1-CB 4.23Å; F608-Q643 HydrophobicContact CD1-CG 4.21Å; F608-Q643 HydrophobicContact CE1-CG 4.44Å; F608-Q643 VanDerWaalsContact CE1-OE1 3.23Å; V609-Q643 PolarHBondContact N-O 3.16Å; Q643-A645 PolarHBondContact O-N 3.32Å; Q643-L686 PolarHBondContact NE2-O 2.93Å; Q643-N689 VanDerWaalsContact CD-O 3.3Å; Q643-N689 WeakPolarHBondContact CG-O 3.21Å; Q643-N689 PolarHBondContact NE2-O 2.85Å
644	N	93.7	Very high	81	Confident	53 Å²	53	30.5 Å²	30.5	28%	0.283	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123.3	165.8	-172.8	33.6	0	0	0	110.6	F617	F617-N644 HydrophobicContact CB-CB 3.83Å; F617-N644 HydrophobicContact CD1-CB 3.84Å; F617-N644 HydrophobicContact CD2-CB 3.95Å; F617-N644 HydrophobicContact CE1-CB 4.38Å; F617-N644 HydrophobicContact CG-CB 3.6Å
645	A	92.8	Very high	81.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.			trans	-124.7	94	-179.6	0	0	0	0	0	109.4	F608 V609 T610 Q643 G647 L648 L686	F608-A645 HydrophobicContact CB-CB 3.92Å; F608-A645 HydrophobicContact CD1-CB 4.36Å; V609-A645 PolarHBondContact O-N 2.97Å; T610-A645 VanDerWaalsContact CA-O 3.26Å; T610-A645 WeakPolarHBondContact CA-O 3.15Å; T610-A645 VanDerWaalsContact CB-O 3.3Å; T610-A645 WeakPolarHBondContact CB-O 3.29Å; T610-A645 PolarHBondContact OG1-O 2.89Å; Q643-A645 PolarHBondContact O-N 3.32Å; A645-G647 PolarHBondContact O-N 3.49Å; A645-G647 VanDerWaalsContact O-N 3.1Å; A645-L648 HydrophobicContact CB-CD2 3.94Å; A645-L686 HydrophobicContact CB-CD2 3.59Å
646	P	84.2	Confident	82.1	Confident	66 Å²	66	33.4 Å²	33.4	43%	0.429	18%	0.182	S	C	.	.	S	Bend	trans	-56.9	-25.9	178	-29.5	40	0	0	0	113.5	E685	P646-E685 WeakPolarHBondContact CG-OE1 3.44Å
647	G	86.9	Confident	82.7	Confident	19 Å²	19	31.5 Å²	31.5	20%	0.196	17%	0.172	C	C	.	.	S	Bend	trans	-146.2	156.9	165.5	0	0	0	0	0	111.5	A645 V682	A645-G647 PolarHBondContact O-N 3.49Å; A645-G647 VanDerWaalsContact O-N 3.1Å; G647-V682 WeakPolarHBondContact O-CG1 3.15Å
648	L	91.5	Very high	83	Confident	12 Å²	12	33.9 Å²	33.9	6%	0.063	18%	0.181	C	C	.	.			trans	-103.6	143.1	172.3	-62.8	173	0	0	0	109.9	E590 A592 F608 A645 K650 I656 L661	E590-L648 HydrophobicContact CB-CD1 3.95Å; A592-L648 HydrophobicContact CB-CD1 4.04Å; A592-L648 HydrophobicContact CB-CD2 4.03Å; F608-L648 HydrophobicContact CB-CD2 3.7Å; A645-L648 HydrophobicContact CB-CD2 3.94Å; L648-K650 PolarHBondContact O-N 2.81Å; L648-I656 HydrophobicContact CD1-CD1 3.84Å; L648-I656 HydrophobicContact CD1-CG1 4.46Å; L648-L661 HydrophobicContact CD2-CD1 4.44Å
649	P	88.1	Confident	82.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.			trans	-71.5	101.6	-179.7	29.7	-32.9	0	0	0	108.8	M657 V660 L661 L677 L686	P649-M657 PolarHBondContact O-N 2.76Å; P649-V660 HydrophobicContact CB-CG1 4.17Å; P649-V660 HydrophobicContact CG-CB 4.28Å; P649-V660 HydrophobicContact CG-CG1 4.1Å; P649-L661 VanDerWaalsContact CD-CD2 3.5Å; P649-L661 HydrophobicContact CG-CD1 4.42Å; P649-L661 HydrophobicContact CG-CD2 3.62Å; P649-L661 HydrophobicContact CG-CG 3.71Å; P649-L677 VanDerWaalsContact C-CD2 3.48Å; P649-L677 HydrophobicContact CB-CD1 4.29Å; P649-L677 HydrophobicContact CB-CD2 3.7Å; P649-L686 HydrophobicContact CG-CD1 4.34Å
650	K	84.6	Confident	82.7	Confident	53 Å²	53	36.9 Å²	36.9	23%	0.23	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-111	144.8	-177.6	-67.9	173	-172.4	174.7	0	111.9	E590 L648 K655 I656 L677 A678	E590-K650 IonicContact OE1-NZ 3.52Å; E590-K650 PolarHBondContact OE1-NZ 3.24Å; E590-K650 WeakPolarHBondContact OE2-CE 3.26Å; E590-K650 IonicContact OE2-NZ 3.49Å; E590-K650 PolarHBondContact OE2-NZ 3.02Å; L648-K650 PolarHBondContact O-N 2.81Å; K650-K655 CarbonylContact C-O 3.46Å; K650-K655 VanDerWaalsContact CA-O 3.26Å; K650-K655 WeakPolarHBondContact CA-O 3.33Å; K650-I656 HydrophobicContact CG-CG1 4Å; K650-L677 CarbonylContact O-C 3.52Å; K650-L677 WeakPolarHBondContact O-CA 3.34Å; K650-L677 WeakPolarHBondContact O-CD2 3.47Å; K650-A678 PolarHBondContact O-N 3.14Å
651	T	75.7	Confident	82.7	Confident	23 Å²	23	35.3 Å²	35.3	14%	0.141	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-64.4	167	168	67.4	0	0	0	0	110.7	S653 G654 K655 M657 T676	T651-S653 PolarHBondContact O-N 2.91Å; T651-S653 PolarHBondContact OG1-N 3.12Å; T651-S653 PolarHBondContact OG1-OG 3.27Å; T651-G654 WeakPolarHBondContact O-CA 3.28Å; T651-G654 PolarHBondContact O-N 3.27Å; T651-K655 HydrophobicContact CG2-CB 4.33Å; T651-K655 PolarHBondContact N-O 3.48Å; T651-K655 PolarHBondContact OG1-N 2.89Å; T651-K655 PolarHBondContact OG1-O 2.9Å; T651-M657 HydrophobicContact CG2-CG 3.7Å; T651-M657 HydrophobicContact CG2-SD 4Å; T651-T676 CarbonylContact C-O 3.6Å; T651-T676 VanDerWaalsContact CA-O 3.23Å; T651-T676 WeakPolarHBondContact CA-O 3.46Å
652	R	56.2	Low	82.4	Confident	82 Å²	82	37.1 Å²	37.1	31%	0.309	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-8	170.5	-62.7	177.2	-174	179.7	-0.5	115	G176 R202 T676	G176-R652 PolarHBondContact O-NH1 3.43Å; R202-R652 PolarHBondContact NH1-O 2.92Å; R202-R652 VanDerWaalsContact NH1-O 3.13Å; R202-R652 PolarHBondContact NH2-O 3.49Å; R652-T676 PolarHBondContact N-O 3.23Å
653	S	48.3	Very low	82	Confident	57 Å²	57	39 Å²	39	40%	0.399	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	0	170.7	58.8	0	0	0	0	112.9	T405 T651	T405-S653 WeakPolarHBondContact CG2-O 3.14Å; T651-S653 PolarHBondContact O-N 2.91Å; T651-S653 PolarHBondContact OG1-N 3.12Å; T651-S653 PolarHBondContact OG1-OG 3.27Å
654	G	59.5	Low	81.9	Confident	24 Å²	24	38.9 Å²	38.9	25%	0.247	19%	0.194	C	C	.	.	S	Bend	trans	86.8	0	179.4	0	0	0	0	0	115	T651	T651-G654 WeakPolarHBondContact O-CA 3.28Å; T651-G654 PolarHBondContact O-N 3.27Å
655	K	74.8	Confident	81.7	Confident	118 Å²	118	36.3 Å²	36.3	51%	0.513	18%	0.18	S	C	.	.			trans	-71.1	128.7	177	-177.2	177.5	-179.2	174	0	110.7	K650 T651 M657	K650-K655 CarbonylContact C-O 3.46Å; K650-K655 VanDerWaalsContact CA-O 3.26Å; K650-K655 WeakPolarHBondContact CA-O 3.33Å; T651-K655 HydrophobicContact CG2-CB 4.33Å; T651-K655 PolarHBondContact N-O 3.48Å; T651-K655 PolarHBondContact OG1-N 2.89Å; T651-K655 PolarHBondContact OG1-O 2.9Å; K655-M657 PolarHBondContact O-N 3.23Å
656	I	83.1	Confident	81.4	Confident	27 Å²	27	37.9 Å²	37.9	14%	0.138	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-67.8	128.8	175	-59.2	167.8	0	0	0	110	A592 L648 K650 R658 L661	A592-I656 HydrophobicContact CB-CD1 4.28Å; A592-I656 HydrophobicContact CB-CG2 4.08Å; L648-I656 HydrophobicContact CD1-CD1 3.84Å; L648-I656 HydrophobicContact CD1-CG1 4.46Å; K650-I656 HydrophobicContact CG-CG1 4Å; I656-R658 HydrophobicContact CG2-CG 4.27Å; I656-R658 PolarHBondContact O-N 3.49Å; I656-R658 VanDerWaalsContact O-N 3.15Å; I656-L661 HydrophobicContact CG2-CD1 3.71Å
657	M	81.8	Confident	81.6	Confident	27 Å²	27	38.6 Å²	38.6	13%	0.133	19%	0.191	C	C	.	.			trans	-85.3	75.6	177	-68.3	-168.4	67.4	0	0	110.9	P649 T651 K655 R659 V660 L661 L677	P649-M657 PolarHBondContact O-N 2.76Å; T651-M657 HydrophobicContact CG2-CG 3.7Å; T651-M657 HydrophobicContact CG2-SD 4Å; K655-M657 PolarHBondContact O-N 3.23Å; M657-R659 PolarHBondContact O-N 3.42Å; M657-R659 VanDerWaalsContact O-N 3.12Å; M657-V660 HydrophobicContact CB-CB 4.37Å; M657-V660 HydrophobicContact CB-CG2 3.99Å; M657-V660 HydrophobicContact CE-CG2 4.2Å; M657-V660 WeakPolarHBondContact O-CB 2.81Å; M657-V660 PolarHBondContact O-N 3.24Å; M657-L661 PolarHBondContact O-N 3.08Å; M657-L677 HydrophobicContact CB-CD2 4.26Å; M657-L677 HydrophobicContact CG-CD2 3.88Å; M657-L677 HydrophobicContact SD-CD2 3.28Å; M657-L677 WeakPolarHBondContact SD-CD2 3.24Å; M657-L677 HydrophobicContact SD-CG 3.73Å
658	R	84.8	Confident	81.6	Confident	50 Å²	50	42.1 Å²	42.1	19%	0.189	20%	0.202	C	C	.	.	H	α-helix	trans	-55.7	-29.9	-178.7	-70.1	-173.8	179.5	77.7	2.4	114.5	E579 V594 I656 V660 L661 R662	E579-R658 IonicContact OE1-CZ 3.73Å; E579-R658 IonicContact OE1-NE 3.89Å; E579-R658 PolarHBondContact OE1-NE 3.15Å; E579-R658 IonicContact OE1-NH2 2.81Å; E579-R658 PolarHBondContact OE1-NH2 3.02Å; E579-R658 IonicContact OE2-CZ 2.81Å; E579-R658 IonicContact OE2-NH2 2.68Å; E579-R658 PolarHBondContact OE2-NH2 3.01Å; V594-R658 HydrophobicContact CG1-CB 4.21Å; V594-R658 HydrophobicContact CG1-CG 4.46Å; I656-R658 HydrophobicContact CG2-CG 4.27Å; I656-R658 PolarHBondContact O-N 3.49Å; I656-R658 VanDerWaalsContact O-N 3.15Å; R658-V660 VanDerWaalsContact C-N 3.27Å; R658-V660 PolarHBondContact O-N 3.34Å; R658-L661 PolarHBondContact O-N 3.08Å; R658-R662 WeakPolarHBondContact O-CB 3.4Å; R658-R662 PolarHBondContact O-N 2.81Å
659	R	85.3	Confident	81.2	Confident	95 Å²	95	49.7 Å²	49.7	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-54.2	-42.6	171.8	-173.6	-176.9	67.9	74.7	-1.9	112.4	M657 K663 M671 D673	M657-R659 PolarHBondContact O-N 3.42Å; M657-R659 VanDerWaalsContact O-N 3.12Å; R659-K663 WeakPolarHBondContact O-CG 3.47Å; R659-K663 PolarHBondContact O-N 3.07Å; R659-M671 VanDerWaalsContact CZ-O 3.28Å; R659-M671 PolarHBondContact NH1-O 3.36Å; R659-M671 PolarHBondContact NH2-O 2.79Å; R659-D673 PolarHBondContact NH2-O 3.36Å
660	V	88	Confident	81.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-47	178.6	174.7	0	0	0	0	109.7	P649 M657 R658 R662 K663 I664 M671 I674 V683	P649-V660 HydrophobicContact CB-CG1 4.17Å; P649-V660 HydrophobicContact CG-CB 4.28Å; P649-V660 HydrophobicContact CG-CG1 4.1Å; M657-V660 HydrophobicContact CB-CB 4.37Å; M657-V660 HydrophobicContact CB-CG2 3.99Å; M657-V660 HydrophobicContact CE-CG2 4.2Å; M657-V660 WeakPolarHBondContact O-CB 2.81Å; M657-V660 PolarHBondContact O-N 3.24Å; R658-V660 VanDerWaalsContact C-N 3.27Å; R658-V660 PolarHBondContact O-N 3.34Å; V660-R662 VanDerWaalsContact C-N 3.32Å; V660-R662 PolarHBondContact O-N 2.86Å; V660-K663 PolarHBondContact O-N 3.16Å; V660-I664 HydrophobicContact CG1-CD1 3.94Å; V660-I664 WeakPolarHBondContact O-CG1 3.44Å; V660-I664 PolarHBondContact O-N 2.97Å; V660-M671 HydrophobicContact CB-SD 4.38Å; V660-M671 HydrophobicContact CG1-SD 3.7Å; V660-I674 HydrophobicContact CG2-CG2 4.04Å; V660-V683 HydrophobicContact CG1-CG1 4.33Å; V660-V683 HydrophobicContact CG1-CG2 3.86Å
661	L	91.7	Very high	80.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-39.9	176.9	-68.6	178.9	0	0	0	112.8	A592 V594 F608 L648 P649 I656 M657 R658 I664 A665 L686	A592-L661 HydrophobicContact CB-CD1 3.41Å; A592-L661 VanDerWaalsContact CB-CD1 3.41Å; V594-L661 HydrophobicContact CG1-CB 3.67Å; V594-L661 HydrophobicContact CG2-CB 4.47Å; F608-L661 HydrophobicContact CD1-CD2 4.04Å; F608-L661 HydrophobicContact CD2-CB 4.17Å; F608-L661 HydrophobicContact CD2-CD1 4.09Å; F608-L661 HydrophobicContact CD2-CD2 3.87Å; F608-L661 HydrophobicContact CD2-CG 4.27Å; F608-L661 HydrophobicContact CE1-CD2 4.03Å; F608-L661 HydrophobicContact CE2-CB 3.73Å; F608-L661 HydrophobicContact CE2-CD1 4.49Å; F608-L661 HydrophobicContact CE2-CD2 3.87Å; F608-L661 HydrophobicContact CE2-CG 4.24Å; F608-L661 HydrophobicContact CG-CD2 3.95Å; F608-L661 HydrophobicContact CZ-CB 4.25Å; F608-L661 HydrophobicContact CZ-CD2 3.95Å; L648-L661 HydrophobicContact CD2-CD1 4.44Å; P649-L661 VanDerWaalsContact CD-CD2 3.5Å; P649-L661 HydrophobicContact CG-CD1 4.42Å; P649-L661 HydrophobicContact CG-CD2 3.62Å; P649-L661 HydrophobicContact CG-CG 3.71Å; I656-L661 HydrophobicContact CG2-CD1 3.71Å; M657-L661 PolarHBondContact O-N 3.08Å; R658-L661 PolarHBondContact O-N 3.08Å; L661-I664 HydrophobicContact CD2-CD1 4.41Å; L661-I664 PolarHBondContact O-N 2.86Å; L661-A665 WeakPolarHBondContact O-CB 3.39Å; L661-A665 PolarHBondContact O-N 2.59Å; L661-L686 HydrophobicContact CD2-CD1 3.68Å
662	R	88.3	Confident	81.2	Confident	69 Å²	69	54.6 Å²	54.6	26%	0.26	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-45.7	176.4	-166.5	-179.8	-52	-165.9	2.3	111.5	D563 D564 V594 R658 V660 I664 A665 C666	D563-R662 PolarHBondContact O-NH1 2.84Å; D563-R662 PolarHBondContact O-NH2 3.24Å; D564-R662 IonicContact OD1-NH2 2.71Å; D564-R662 PolarHBondContact OD1-NH2 3.13Å; V594-R662 HydrophobicContact CB-CB 4.27Å; V594-R662 HydrophobicContact CG1-CB 4.48Å; R658-R662 WeakPolarHBondContact O-CB 3.4Å; R658-R662 PolarHBondContact O-N 2.81Å; V660-R662 VanDerWaalsContact C-N 3.32Å; V660-R662 PolarHBondContact O-N 2.86Å; R662-I664 VanDerWaalsContact C-N 3.31Å; R662-I664 PolarHBondContact O-N 3.16Å; R662-A665 PolarHBondContact O-N 3.19Å; R662-C666 WeakPolarHBondContact O-CB 3.48Å; R662-C666 PolarHBondContact O-N 3.34Å; R662-C666 PolarHBondContact O-SG 3.2Å
663	K	88.5	Confident	82	Confident	41 Å²	41	54.6 Å²	54.6	18%	0.178	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-41.3	175	-73.6	-164.2	165.2	-159.8	0	112.1	R659 V660 C666 D667 E668 D670 M671	R659-K663 WeakPolarHBondContact O-CG 3.47Å; R659-K663 PolarHBondContact O-N 3.07Å; V660-K663 PolarHBondContact O-N 3.16Å; K663-C666 CarbonylContact O-C 3.49Å; K663-C666 PolarHBondContact O-N 3.47Å; K663-D667 PolarHBondContact O-N 3.02Å; K663-E668 HydrophobicContact CB-CB 3.98Å; K663-E668 HydrophobicContact CD-CB 4.44Å; K663-E668 VanDerWaalsContact CE-OE2 3.29Å; K663-E668 WeakPolarHBondContact CE-OE2 3.41Å; K663-E668 HydrophobicContact CG-CB 4.2Å; K663-E668 IonicContact NZ-OE2 3.71Å; K663-E668 PolarHBondContact O-N 3.21Å; K663-D670 WeakPolarHBondContact CD-O 3.4Å; K663-D670 WeakPolarHBondContact CE-O 3.47Å; K663-D670 PolarHBondContact NZ-O 3.32Å; K663-M671 HydrophobicContact CB-CE 3.61Å; K663-M671 HydrophobicContact CB-SD 4.23Å; K663-M671 HydrophobicContact CD-CE 4.39Å
664	I	91.6	Very high	83.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-49.3	173.2	-65.8	158.7	0	0	0	110.6	F608 V660 L661 R662 C666 D667 M671 V683 L686 F687 R690	F608-I664 HydrophobicContact CE1-CG2 4.24Å; F608-I664 HydrophobicContact CZ-CB 4.45Å; F608-I664 HydrophobicContact CZ-CG2 4.22Å; V660-I664 HydrophobicContact CG1-CD1 3.94Å; V660-I664 WeakPolarHBondContact O-CG1 3.44Å; V660-I664 PolarHBondContact O-N 2.97Å; L661-I664 HydrophobicContact CD2-CD1 4.41Å; L661-I664 PolarHBondContact O-N 2.86Å; R662-I664 VanDerWaalsContact C-N 3.31Å; R662-I664 PolarHBondContact O-N 3.16Å; I664-C666 PolarHBondContact O-N 3.44Å; I664-D667 PolarHBondContact O-N 3.07Å; I664-M671 HydrophobicContact CG1-CE 4.39Å; I664-V683 HydrophobicContact CD1-CG1 4.35Å; I664-L686 HydrophobicContact CD1-CB 3.81Å; I664-L686 HydrophobicContact CD1-CD1 3.91Å; I664-L686 HydrophobicContact CG2-CB 4.28Å; I664-F687 HydrophobicContact CB-CE1 4.34Å; I664-F687 HydrophobicContact CB-CZ 4.19Å; I664-F687 HydrophobicContact CD1-CE2 4.46Å; I664-F687 HydrophobicContact CG1-CD2 3.98Å; I664-F687 HydrophobicContact CG1-CE1 4.19Å; I664-F687 HydrophobicContact CG1-CE2 3.51Å; I664-F687 HydrophobicContact CG1-CG 4.48Å; I664-F687 HydrophobicContact CG1-CZ 3.61Å; I664-F687 HydrophobicContact CG2-CD1 4.33Å; I664-F687 HydrophobicContact CG2-CE1 4.35Å; I664-R690 HydrophobicContact CG2-CG 4.46Å; I664-R690 VanDerWaalsContact O-CD 3.24Å; I664-R690 WeakPolarHBondContact O-CD 3.41Å
665	A	89.6	Confident	84.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-31.7	178.2	0	0	0	0	0	112.7	V594 C596 Y606 L661 R662	V594-A665 HydrophobicContact CG2-CB 3.82Å; C596-A665 HydrophobicContact CB-CB 4.35Å; C596-A665 PolarHBondContact SG-O 2.94Å; Y606-A665 HydrophobicContact CD1-CB 4.15Å; Y606-A665 HydrophobicContact CD2-CB 3.77Å; Y606-A665 HydrophobicContact CE2-CB 4.27Å; Y606-A665 HydrophobicContact CG-CB 3.71Å; L661-A665 WeakPolarHBondContact O-CB 3.39Å; L661-A665 PolarHBondContact O-N 2.59Å; R662-A665 PolarHBondContact O-N 3.19Å
666	C	87	Confident	84	Confident	33 Å²	33	51.1 Å²	51.1	22%	0.223	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5	176.4	-62.8	0	0	0	0	114.9	P597 R662 K663 I664 E668	P597-C666 WeakPolarHBondContact CD-SG 3.17Å; R662-C666 WeakPolarHBondContact O-CB 3.48Å; R662-C666 PolarHBondContact O-N 3.34Å; R662-C666 PolarHBondContact O-SG 3.2Å; K663-C666 CarbonylContact O-C 3.49Å; K663-C666 PolarHBondContact O-N 3.47Å; I664-C666 PolarHBondContact O-N 3.44Å; C666-E668 HydrophobicContact CB-CG 4.24Å; C666-E668 PolarHBondContact O-N 2.85Å
667	D	89.1	Confident	83.7	Confident	81 Å²	81	50.3 Å²	50.3	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	24.8	-176.2	-150.8	35.3	0	0	0	115.3	K663 I664 R690	K663-D667 PolarHBondContact O-N 3.02Å; I664-D667 PolarHBondContact O-N 3.07Å; D667-R690 IonicContact OD1-CZ 3.37Å; D667-R690 IonicContact OD1-NE 3.12Å; D667-R690 IonicContact OD1-NH1 2.72Å; D667-R690 PolarHBondContact OD1-NH1 3.22Å; D667-R690 IonicContact OD2-NH1 2.77Å; D667-R690 PolarHBondContact OD2-NH1 3.05Å
668	E	85.4	Confident	83.3	Confident	93 Å²	93	52.5 Å²	52.5	44%	0.435	28%	0.278	S	S	.	.			trans	-84.8	118.1	177.6	-72	-180	-143.4	0	0	111.2	K663 C666 M671 F687	K663-E668 HydrophobicContact CB-CB 3.98Å; K663-E668 HydrophobicContact CD-CB 4.44Å; K663-E668 VanDerWaalsContact CE-OE2 3.29Å; K663-E668 WeakPolarHBondContact CE-OE2 3.41Å; K663-E668 HydrophobicContact CG-CB 4.2Å; K663-E668 IonicContact NZ-OE2 3.71Å; K663-E668 PolarHBondContact O-N 3.21Å; C666-E668 HydrophobicContact CB-CG 4.24Å; C666-E668 PolarHBondContact O-N 2.85Å; E668-M671 WeakPolarHBondContact O-CE 3.32Å; E668-F687 WeakPolarHBondContact O-CZ 3.41Å
669	K	84.6	Confident	83.1	Confident	171 Å²	171	54 Å²	54	74%	0.743	29%	0.29	S	S	*	.			trans	-82.6	-23.5	-176.6	-64.7	-171	179.3	-178.1	0	115.5	M671	K669-M671 PolarHBondContact O-N 3.26Å; K669-M671 VanDerWaalsContact O-N 3.17Å
670	D	84.7	Confident	83	Confident	118 Å²	118	52.9 Å²	52.9	63%	0.631	30%	0.296	S	S	*	.			trans	-77.4	102.9	177.6	176.2	11.7	0	0	0	110.2	K663 G672	K663-D670 WeakPolarHBondContact CD-O 3.4Å; K663-D670 WeakPolarHBondContact CE-O 3.47Å; K663-D670 PolarHBondContact NZ-O 3.32Å; D670-G672 PolarHBondContact OD1-N 3.08Å
671	M	82.1	Confident	82.9	Confident	17 Å²	17	55.9 Å²	55.9	8%	0.084	32%	0.317	C	S	.	.			trans	-81.7	-8.6	-178.6	-65.4	-68.1	122.1	0	0	114.1	R659 V660 K663 I664 E668 K669 I674 V683 F687	R659-M671 VanDerWaalsContact CZ-O 3.28Å; R659-M671 PolarHBondContact NH1-O 3.36Å; R659-M671 PolarHBondContact NH2-O 2.79Å; V660-M671 HydrophobicContact CB-SD 4.38Å; V660-M671 HydrophobicContact CG1-SD 3.7Å; K663-M671 HydrophobicContact CB-CE 3.61Å; K663-M671 HydrophobicContact CB-SD 4.23Å; K663-M671 HydrophobicContact CD-CE 4.39Å; I664-M671 HydrophobicContact CG1-CE 4.39Å; E668-M671 WeakPolarHBondContact O-CE 3.32Å; K669-M671 PolarHBondContact O-N 3.26Å; K669-M671 VanDerWaalsContact O-N 3.17Å; M671-I674 HydrophobicContact CB-CG2 3.68Å; M671-V683 HydrophobicContact CG-CG1 4.08Å; M671-V683 HydrophobicContact SD-CG1 4.05Å; M671-F687 HydrophobicContact CE-CE2 3.43Å; M671-F687 VanDerWaalsContact CE-CE2 3.43Å; M671-F687 HydrophobicContact CE-CZ 3.34Å; M671-F687 HydrophobicContact SD-CE2 4.31Å
672	G	80.6	Confident	82.8	Confident	43 Å²	43	56.5 Å²	56.5	44%	0.443	32%	0.321	S	S	.	.			trans	56.3	-150.6	-165.8	0	0	0	0	0	112.5	D670 I674	D670-G672 PolarHBondContact OD1-N 3.08Å; G672-I674 PolarHBondContact O-N 2.78Å
673	D	72.7	Confident	82.9	Confident	83 Å²	83	53.5 Å²	53.5	44%	0.444	31%	0.31	S	S	.	.			trans	-71.1	116.8	-179.9	-174.6	11.5	0	0	0	112.3	R659 S675	R659-D673 PolarHBondContact NH2-O 3.36Å; D673-S675 WeakPolarHBondContact OD1-CB 3.45Å; D673-S675 PolarHBondContact OD1-N 2.86Å; D673-S675 PolarHBondContact OD1-OG 3.5Å; D673-S675 PolarHBondContact OD2-OG 3.27Å
674	I	80.4	Confident	82.9	Confident	48 Å²	48	56.7 Å²	56.7	25%	0.246	33%	0.33	C	S	.	.			trans	-117.3	11.6	174.4	60.8	170.1	0	0	0	112.7	V660 M671 G672 T676 L677	V660-I674 HydrophobicContact CG2-CG2 4.04Å; M671-I674 HydrophobicContact CB-CG2 3.68Å; G672-I674 PolarHBondContact O-N 2.78Å; I674-T676 PolarHBondContact O-N 3.05Å; I674-T676 VanDerWaalsContact O-N 3.1Å; I674-L677 HydrophobicContact CB-CD1 3.81Å; I674-L677 HydrophobicContact CB-CG 4.22Å; I674-L677 HydrophobicContact CG2-CD1 4.27Å; I674-L677 VanDerWaalsContact O-CB 3.32Å; I674-L677 WeakPolarHBondContact O-CB 3.36Å; I674-L677 WeakPolarHBondContact O-CG 3.16Å; I674-L677 PolarHBondContact O-N 2.96Å
675	S	72.1	Confident	82.8	Confident	47 Å²	47	59.5 Å²	59.5	33%	0.329	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.6	-176.8	65	0	0	0	0	114.1	D673 L677	D673-S675 WeakPolarHBondContact OD1-CB 3.45Å; D673-S675 PolarHBondContact OD1-N 2.86Å; D673-S675 PolarHBondContact OD1-OG 3.5Å; D673-S675 PolarHBondContact OD2-OG 3.27Å; S675-L677 VanDerWaalsContact C-N 3.32Å
676	T	72.9	Confident	83	Confident	31 Å²	31	59.6 Å²	59.6	19%	0.19	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-10	176.7	58.7	0	0	0	0	113.5	F177 T651 R652 I674	F177-T676 HydrophobicContact CD1-CG2 4.29Å; F177-T676 HydrophobicContact CE1-CG2 4.24Å; T651-T676 CarbonylContact C-O 3.6Å; T651-T676 VanDerWaalsContact CA-O 3.23Å; T651-T676 WeakPolarHBondContact CA-O 3.46Å; R652-T676 PolarHBondContact N-O 3.23Å; I674-T676 PolarHBondContact O-N 3.05Å; I674-T676 VanDerWaalsContact O-N 3.1Å
677	L	76.1	Confident	83.2	Confident	10 Å²	10	60.2 Å²	60.2	5%	0.052	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-62.5	142.6	175.8	-71.7	179.1	0	0	0	111.3	P649 K650 M657 I674 S675 V683	P649-L677 VanDerWaalsContact C-CD2 3.48Å; P649-L677 HydrophobicContact CB-CD1 4.29Å; P649-L677 HydrophobicContact CB-CD2 3.7Å; K650-L677 CarbonylContact O-C 3.52Å; K650-L677 WeakPolarHBondContact O-CA 3.34Å; K650-L677 WeakPolarHBondContact O-CD2 3.47Å; M657-L677 HydrophobicContact CB-CD2 4.26Å; M657-L677 HydrophobicContact CG-CD2 3.88Å; M657-L677 HydrophobicContact SD-CD2 3.28Å; M657-L677 WeakPolarHBondContact SD-CD2 3.24Å; M657-L677 HydrophobicContact SD-CG 3.73Å; I674-L677 HydrophobicContact CB-CD1 3.81Å; I674-L677 HydrophobicContact CB-CG 4.22Å; I674-L677 HydrophobicContact CG2-CD1 4.27Å; I674-L677 VanDerWaalsContact O-CB 3.32Å; I674-L677 WeakPolarHBondContact O-CB 3.36Å; I674-L677 WeakPolarHBondContact O-CG 3.16Å; I674-L677 PolarHBondContact O-N 2.96Å; S675-L677 VanDerWaalsContact C-N 3.32Å; L677-V683 HydrophobicContact CD1-CG2 3.82Å
678	A	74.7	Confident	83.1	Confident	73 Å²	73	65.2 Å²	65.2	60%	0.603	36%	0.355	S	S	*	.	S	Bend	trans	-69.5	-38.6	171.1	0	0	0	0	0	111.1	K650	K650-A678 PolarHBondContact O-N 3.14Å
679	D	80.1	Confident	83.1	Confident	81 Å²	81	64.4 Å²	64.4	43%	0.433	35%	0.354	S	S	.	.			trans	-141.7	117	176.1	-177.6	-1.6	0	0	0	109.3	S681 V682	D679-S681 VanDerWaalsContact CG-OG 3.27Å; D679-S681 WeakPolarHBondContact OD1-CB 3.17Å; D679-S681 PolarHBondContact OD1-N 3.45Å; D679-S681 PolarHBondContact OD1-OG 3.31Å; D679-S681 PolarHBondContact OD2-OG 2.85Å; D679-V682 HydrophobicContact CB-CG2 4.19Å
680	S	83.8	Confident	83.4	Confident	71 Å²	71	59.2 Å²	59.2	50%	0.497	33%	0.329	S	S	.	.	S	Bend	trans	-82.4	-20.1	179.1	56.1	0	0	0	0	113.2	V682 V683	S680-V682 PolarHBondContact O-N 3.05Å; S680-V683 WeakPolarHBondContact O-CB 3.41Å; S680-V683 PolarHBondContact O-N 2.72Å
681	S	85.7	Confident	83.4	Confident	63 Å²	63	55 Å²	55	44%	0.441	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-24.4	-176.9	70.7	0	0	0	0	113.1	D679 V683 D684 E685	D679-S681 VanDerWaalsContact CG-OG 3.27Å; D679-S681 WeakPolarHBondContact OD1-CB 3.17Å; D679-S681 PolarHBondContact OD1-N 3.45Å; D679-S681 PolarHBondContact OD1-OG 3.31Å; D679-S681 PolarHBondContact OD2-OG 2.85Å; S681-V683 PolarHBondContact O-N 3.36Å; S681-D684 PolarHBondContact O-N 3.13Å; S681-E685 PolarHBondContact O-N 3.35Å
682	V	89.2	Confident	83.1	Confident	14 Å²	14	58.5 Å²	58.5	9%	0.085	34%	0.341	C	S	.	.	H	α-helix	trans	-55.1	-34.7	173.4	173.9	0	0	0	0	111.8	G647 D679 S680 D684 E685 L686	G647-V682 WeakPolarHBondContact O-CG1 3.15Å; D679-V682 HydrophobicContact CB-CG2 4.19Å; S680-V682 PolarHBondContact O-N 3.05Å; V682-D684 PolarHBondContact O-N 3.19Å; V682-E685 PolarHBondContact O-N 2.8Å; V682-L686 HydrophobicContact CG1-CD1 3.84Å; V682-L686 HydrophobicContact CG1-CG 4.19Å; V682-L686 VanDerWaalsContact O-CG 3.26Å; V682-L686 WeakPolarHBondContact O-CG 3.48Å; V682-L686 PolarHBondContact O-N 3.45Å
683	V	90.6	Very high	82.6	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-44.6	-178.7	179.8	0	0	0	0	111.2	V660 I664 M671 L677 S680 S681 E685 L686 F687	V660-V683 HydrophobicContact CG1-CG1 4.33Å; V660-V683 HydrophobicContact CG1-CG2 3.86Å; I664-V683 HydrophobicContact CD1-CG1 4.35Å; M671-V683 HydrophobicContact CG-CG1 4.08Å; M671-V683 HydrophobicContact SD-CG1 4.05Å; L677-V683 HydrophobicContact CD1-CG2 3.82Å; S680-V683 WeakPolarHBondContact O-CB 3.41Å; S680-V683 PolarHBondContact O-N 2.72Å; S681-V683 PolarHBondContact O-N 3.36Å; V683-E685 VanDerWaalsContact C-N 3.33Å; V683-E685 PolarHBondContact O-N 2.82Å; V683-L686 PolarHBondContact O-N 3.37Å; V683-F687 HydrophobicContact CG1-CD2 4.05Å; V683-F687 HydrophobicContact CG1-CE2 3.95Å; V683-F687 WeakPolarHBondContact O-CD2 3.01Å; V683-F687 PolarHBondContact O-N 2.84Å; V683-F687 VanDerWaalsContact O-N 3.08Å
684	D	87.6	Confident	81.7	Confident	109 Å²	109	57.9 Å²	57.9	58%	0.583	33%	0.331	S	S	*	.	H	α-helix	trans	-68.1	-34.5	-179.7	-65.2	-31.5	0	0	0	112.1	S681 V682 R688	S681-D684 PolarHBondContact O-N 3.13Å; V682-D684 PolarHBondContact O-N 3.19Å; D684-R688 WeakPolarHBondContact O-CG 3.46Å; D684-R688 PolarHBondContact O-N 2.82Å; D684-R688 VanDerWaalsContact O-N 3.14Å; D684-R688 PolarHBondContact O-NE 3.28Å
685	E	89.4	Confident	80.2	Confident	59 Å²	59	62.7 Å²	62.7	28%	0.276	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-41.6	173.7	-174.4	168.4	-154.7	0	0	112.3	P646 S681 V682 V683 F687 R688 N689	P646-E685 WeakPolarHBondContact CG-OE1 3.44Å; S681-E685 PolarHBondContact O-N 3.35Å; V682-E685 PolarHBondContact O-N 2.8Å; V683-E685 VanDerWaalsContact C-N 3.33Å; V683-E685 PolarHBondContact O-N 2.82Å; E685-F687 VanDerWaalsContact C-N 3.34Å; E685-F687 PolarHBondContact O-N 2.61Å; E685-R688 PolarHBondContact O-N 3.06Å; E685-N689 PolarHBondContact O-N 3.12Å; E685-N689 VanDerWaalsContact O-N 3.1Å; E685-N689 PolarHBondContact O-ND2 2.67Å
686	L	93.4	Very high	80.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-66.3	-35.6	177.8	-68.8	174.2	0	0	0	112.4	F608 Q643 A645 P649 L661 I664 V682 V683 R690	F608-L686 HydrophobicContact CD1-CD2 3.95Å; F608-L686 HydrophobicContact CE1-CD2 4.28Å; Q643-L686 PolarHBondContact NE2-O 2.93Å; A645-L686 HydrophobicContact CB-CD2 3.59Å; P649-L686 HydrophobicContact CG-CD1 4.34Å; L661-L686 HydrophobicContact CD2-CD1 3.68Å; I664-L686 HydrophobicContact CD1-CB 3.81Å; I664-L686 HydrophobicContact CD1-CD1 3.91Å; I664-L686 HydrophobicContact CG2-CB 4.28Å; V682-L686 HydrophobicContact CG1-CD1 3.84Å; V682-L686 HydrophobicContact CG1-CG 4.19Å; V682-L686 VanDerWaalsContact O-CG 3.26Å; V682-L686 WeakPolarHBondContact O-CG 3.48Å; V682-L686 PolarHBondContact O-N 3.45Å; V683-L686 PolarHBondContact O-N 3.37Å; L686-R690 PolarHBondContact O-N 2.94Å
687	F	91.3	Very high	81	Confident	46 Å²	46	65.2 Å²	65.2	20%	0.202	37%	0.373	C	S	.	.	H	α-helix	trans	-65.7	-42.2	171.5	-88.6	-67.8	0	0	0	112.9	I664 E668 M671 V683 E685 N689 R690	I664-F687 HydrophobicContact CB-CE1 4.34Å; I664-F687 HydrophobicContact CB-CZ 4.19Å; I664-F687 HydrophobicContact CD1-CE2 4.46Å; I664-F687 HydrophobicContact CG1-CD2 3.98Å; I664-F687 HydrophobicContact CG1-CE1 4.19Å; I664-F687 HydrophobicContact CG1-CE2 3.51Å; I664-F687 HydrophobicContact CG1-CG 4.48Å; I664-F687 HydrophobicContact CG1-CZ 3.61Å; I664-F687 HydrophobicContact CG2-CD1 4.33Å; I664-F687 HydrophobicContact CG2-CE1 4.35Å; E668-F687 WeakPolarHBondContact O-CZ 3.41Å; M671-F687 HydrophobicContact CE-CE2 3.43Å; M671-F687 VanDerWaalsContact CE-CE2 3.43Å; M671-F687 HydrophobicContact CE-CZ 3.34Å; M671-F687 HydrophobicContact SD-CE2 4.31Å; V683-F687 HydrophobicContact CG1-CD2 4.05Å; V683-F687 HydrophobicContact CG1-CE2 3.95Å; V683-F687 WeakPolarHBondContact O-CD2 3.01Å; V683-F687 PolarHBondContact O-N 2.84Å; V683-F687 VanDerWaalsContact O-N 3.08Å; E685-F687 VanDerWaalsContact C-N 3.34Å; E685-F687 PolarHBondContact O-N 2.61Å; F687-N689 PolarHBondContact O-N 2.87Å; F687-R690 WeakPolarHBondContact O-CB 3.49Å; F687-R690 PolarHBondContact O-N 3.38Å
688	R	87.6	Confident	81.3	Confident	186 Å²	186	68.2 Å²	68.2	70%	0.702	39%	0.391	S	S	*	.	H	α-helix	trans	-61.9	-34.4	178.8	-77.6	-177.8	-68.4	153.8	0.4	112.7	D684 E685	D684-R688 WeakPolarHBondContact O-CG 3.46Å; D684-R688 PolarHBondContact O-N 2.82Å; D684-R688 VanDerWaalsContact O-N 3.14Å; D684-R688 PolarHBondContact O-NE 3.28Å; E685-R688 PolarHBondContact O-N 3.06Å
689	N	86	Confident	81.6	Confident	76 Å²	76	67.9 Å²	67.9	41%	0.406	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	13	-176.4	-63.6	-31.8	0	0	0	113.4	Q643 E685 F687	Q643-N689 VanDerWaalsContact CD-O 3.3Å; Q643-N689 WeakPolarHBondContact CG-O 3.21Å; Q643-N689 PolarHBondContact NE2-O 2.85Å; E685-N689 PolarHBondContact O-N 3.12Å; E685-N689 VanDerWaalsContact O-N 3.1Å; E685-N689 PolarHBondContact O-ND2 2.67Å; F687-N689 PolarHBondContact O-N 2.87Å
690	R	90.8	Very high	81.7	Confident	62 Å²	62	67.1 Å²	67.1	23%	0.234	38%	0.375	C	S	.	.			trans	-63.8	138	-176.7	-170.4	-165	137.8	-118.5	-10.8	111.5	Y606 I664 D667 L686 F687 T693	Y606-R690 WeakPolarHBondContact OH-CG 3.41Å; I664-R690 HydrophobicContact CG2-CG 4.46Å; I664-R690 VanDerWaalsContact O-CD 3.24Å; I664-R690 WeakPolarHBondContact O-CD 3.41Å; D667-R690 IonicContact OD1-CZ 3.37Å; D667-R690 IonicContact OD1-NE 3.12Å; D667-R690 IonicContact OD1-NH1 2.72Å; D667-R690 PolarHBondContact OD1-NH1 3.22Å; D667-R690 IonicContact OD2-NH1 2.77Å; D667-R690 PolarHBondContact OD2-NH1 3.05Å; L686-R690 PolarHBondContact O-N 2.94Å; F687-R690 WeakPolarHBondContact O-CB 3.49Å; F687-R690 PolarHBondContact O-N 3.38Å; R690-T693 PolarHBondContact NH2-OG1 3.21Å
691	C	84.8	Confident	81.6	Confident	31 Å²	31	66.9 Å²	66.9	21%	0.209	37%	0.367	C	S	.	.			trans	-68.1	140.7	168.9	-58.8	0	0	0	0	110.3	Y606 Y641 T693	Y606-C691 HydrophobicContact CE2-CB 4.02Å; Y606-C691 WeakPolarHBondContact OH-CB 3.44Å; Y606-C691 PolarHBondContact OH-N 2.72Å; Y641-C691 HydrophobicContact CD1-CB 3.83Å; Y641-C691 HydrophobicContact CG-CB 4.37Å; C691-T693 PolarHBondContact O-N 2.98Å
692	A	76.1	Confident	81.3	Confident	90 Å²	90	67.1 Å²	67.1	74%	0.744	36%	0.362	S	S	*	.			trans	-67.3	108.7	171.6	0	0	0	0	0	109.4
693	T	69.4	Low	80.7	Confident	17 Å²	17	71.2 Å²	71.2	10%	0.104	38%	0.383	C	S	.	.			trans	-88.2	147.7	175.9	57.2	0	0	0	0	110	Y606 Y641 R690 C691 V695	Y606-T693 HydrophobicContact CD2-CG2 3.93Å; Y606-T693 HydrophobicContact CE2-CG2 3.63Å; Y641-T693 HydrophobicContact CD1-CG2 4.43Å; Y641-T693 HydrophobicContact CD2-CG2 4.29Å; Y641-T693 HydrophobicContact CE1-CG2 4.11Å; Y641-T693 HydrophobicContact CE2-CG2 3.97Å; R690-T693 PolarHBondContact NH2-OG1 3.21Å; C691-T693 PolarHBondContact O-N 2.98Å; T693-V695 PolarHBondContact O-N 3.13Å
694	T	54.2	Low	79.9	Confident	95 Å²	95	76.8 Å²	76.8	58%	0.583	41%	0.413	S	S	*	.			trans	-77.6	33.7	-176.9	46.2	0	0	0	0	114.3	Y641	Y641-T694 PolarHBondContact OH-N 2.93Å; Y641-T694 PolarHBondContact OH-OG1 3.39Å
695	V	48.1	Very low	79.2	Confident	149 Å²	149	73.8 Å²	73.8	90%	0.903	40%	0.397	S	S	*	.			trans	-97.5	0	177.5	-174.2	0	0	0	0	110.2	P597 T693	P597-V695 HydrophobicContact CB-CG2 4.34Å; T693-V695 PolarHBondContact O-N 3.13Å

Retrieved 695 of 695 residues in 673 ms (Link to these results)

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